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_C 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 0.000 176.257 176.300 -0.072 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.557 32.600 -0.072 0.000 1.302 2 N N 1.324 119.977 118.700 -0.078 0.000 2.497 2 N HA 0.244 4.984 4.740 0.000 0.000 0.271 2 N C -0.956 174.476 175.510 -0.129 0.000 1.142 2 N CA -0.430 52.573 53.050 -0.078 0.000 0.965 2 N CB 0.501 38.956 38.487 -0.054 0.000 1.077 2 N HN 0.463 nan 8.380 nan 0.000 0.462 3 D N 0.970 121.305 120.400 -0.108 0.000 2.488 3 D HA -0.069 4.571 4.640 0.000 0.000 0.238 3 D C -0.330 175.905 176.300 -0.107 0.000 1.138 3 D CA 0.193 54.112 54.000 -0.135 0.000 0.873 3 D CB 0.342 41.108 40.800 -0.058 0.000 1.183 3 D HN 0.437 nan 8.370 nan 0.000 0.458 4 H N 1.798 120.859 119.070 -0.015 0.000 2.998 4 H HA -0.002 4.554 4.556 0.000 0.000 0.353 4 H C 1.130 176.458 175.328 0.000 0.000 1.099 4 H CA 0.304 56.346 56.048 -0.011 0.000 1.393 4 H CB 0.717 30.477 29.762 -0.002 0.000 1.343 4 H HN 0.543 nan 8.280 nan 0.000 0.609 5 E N 0.915 121.204 120.200 0.149 0.000 2.230 5 E HA 0.044 4.394 4.350 0.000 0.000 0.192 5 E C -0.116 176.530 176.600 0.077 0.000 0.987 5 E CA 0.517 56.967 56.400 0.083 0.000 0.841 5 E CB 0.692 30.433 29.700 0.068 0.000 0.783 5 E HN 0.164 nan 8.360 nan 0.000 0.481 6 V N 0.484 120.451 119.914 0.089 0.000 3.087 6 V HA 0.043 4.163 4.120 0.000 0.000 0.306 6 V C -0.691 175.442 176.094 0.064 0.000 1.187 6 V CA -0.578 61.758 62.300 0.061 0.000 0.999 6 V CB 2.325 34.169 31.823 0.036 0.000 1.049 6 V HN -0.091 nan 8.190 nan 0.000 0.431 7 D N 1.601 122.040 120.400 0.065 0.000 2.149 7 D HA 0.114 4.754 4.640 0.000 0.000 0.206 7 D C 0.152 176.504 176.300 0.086 0.000 0.967 7 D CA 1.459 55.514 54.000 0.092 0.000 0.848 7 D CB 0.539 41.397 40.800 0.096 0.000 0.998 7 D HN 0.280 nan 8.370 nan 0.000 0.474 8 V N 1.609 121.548 119.914 0.043 0.000 2.531 8 V HA 0.269 4.389 4.120 0.000 0.000 0.301 8 V C -0.756 175.335 176.094 -0.004 0.000 1.034 8 V CA -0.916 61.402 62.300 0.030 0.000 0.865 8 V CB 2.587 34.392 31.823 -0.031 0.000 0.995 8 V HN -0.068 nan 8.190 nan 0.000 0.424 9 L N 6.558 127.774 121.223 -0.012 0.000 2.262 9 L HA 0.612 4.952 4.340 0.000 0.000 0.288 9 L C -0.367 176.472 176.870 -0.051 0.000 1.035 9 L CA 0.158 54.979 54.840 -0.032 0.000 0.820 9 L CB 1.372 43.408 42.059 -0.037 0.000 1.204 9 L HN 0.469 nan 8.230 nan 0.000 0.424 10 V N 5.942 125.821 119.914 -0.058 0.000 2.439 10 V HA 0.432 4.552 4.120 0.000 0.000 0.282 10 V C -0.189 175.863 176.094 -0.070 0.000 1.039 10 V CA -0.648 61.612 62.300 -0.067 0.000 0.913 10 V CB 1.694 33.475 31.823 -0.069 0.000 0.983 10 V HN 0.456 nan 8.190 nan 0.000 0.460 11 V N 4.323 124.196 119.914 -0.069 0.000 2.334 11 V HA 0.894 5.014 4.120 0.000 0.000 0.281 11 V C 0.450 176.512 176.094 -0.053 0.000 1.016 11 V CA 0.321 62.583 62.300 -0.064 0.000 0.832 11 V CB 0.683 32.465 31.823 -0.068 0.000 0.999 11 V HN 1.311 nan 8.190 nan 0.000 0.439 12 G N 4.105 112.872 108.800 -0.053 0.000 2.770 12 G HA2 0.358 4.318 3.960 0.000 0.000 0.686 12 G HA3 0.358 4.318 3.960 0.000 0.000 0.686 12 G C -0.172 174.701 174.900 -0.046 0.000 1.180 12 G CA -0.134 44.942 45.100 -0.040 0.000 0.767 12 G HN 1.466 nan 8.290 nan 0.000 0.646 13 A N 0.930 123.734 122.820 -0.027 0.000 2.606 13 A HA 0.787 5.107 4.320 0.000 0.000 0.290 13 A C 1.433 179.024 177.584 0.013 0.000 1.174 13 A CA 1.212 53.236 52.037 -0.023 0.000 0.958 13 A CB -0.135 18.852 19.000 -0.021 0.000 1.194 13 A HN 2.207 nan 8.150 nan 0.000 0.526 14 G N -0.604 108.200 108.800 0.007 0.000 2.468 14 G HA2 0.336 4.297 3.960 0.000 0.000 0.264 14 G HA3 0.336 4.297 3.960 0.000 0.000 0.264 14 G C 0.899 175.809 174.900 0.015 0.000 1.460 14 G CA -0.285 44.822 45.100 0.012 0.000 1.060 14 G HN 0.207 nan 8.290 nan 0.000 0.543 15 L N 0.006 121.243 121.223 0.022 0.000 2.209 15 L HA 0.110 4.451 4.340 0.000 0.000 0.207 15 L C 3.051 179.948 176.870 0.045 0.000 1.094 15 L CA 0.942 55.802 54.840 0.034 0.000 0.790 15 L CB -0.376 41.707 42.059 0.040 0.000 0.932 15 L HN 0.656 nan 8.230 nan 0.000 0.447 16 G N -0.315 108.508 108.800 0.037 0.000 2.404 16 G HA2 -0.187 3.773 3.960 0.000 0.000 0.215 16 G HA3 -0.187 3.773 3.960 0.000 0.000 0.215 16 G C 1.566 176.487 174.900 0.034 0.000 1.174 16 G CA 0.697 45.826 45.100 0.048 0.000 0.780 16 G HN 0.456 nan 8.290 nan 0.000 0.537 17 G N 0.662 109.465 108.800 0.006 0.000 2.418 17 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 17 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 17 G C 1.811 176.699 174.900 -0.020 0.000 1.158 17 G CA 0.645 45.735 45.100 -0.017 0.000 0.771 17 G HN 0.408 nan 8.290 nan 0.000 0.545 18 L N 0.358 121.574 121.223 -0.011 0.000 2.109 18 L HA -0.024 4.316 4.340 0.000 0.000 0.207 18 L C 3.106 179.958 176.870 -0.030 0.000 1.086 18 L CA 1.021 55.845 54.840 -0.026 0.000 0.760 18 L CB -0.366 41.682 42.059 -0.018 0.000 0.910 18 L HN 0.345 nan 8.230 nan 0.000 0.437 19 S N -0.396 115.320 115.700 0.026 0.000 2.365 19 S HA -0.238 4.232 4.470 0.000 0.000 0.221 19 S C 2.016 176.717 174.600 0.169 0.000 1.037 19 S CA 2.305 60.574 58.200 0.115 0.000 1.060 19 S CB -0.323 63.027 63.200 0.250 0.000 0.974 19 S HN 0.466 nan 8.310 nan 0.000 0.427 20 T N 2.413 117.035 114.554 0.114 0.000 2.624 20 T HA -0.179 4.171 4.350 0.000 0.000 0.268 20 T C 2.031 176.727 174.700 -0.007 0.000 1.041 20 T CA 1.778 63.900 62.100 0.037 0.000 1.159 20 T CB -1.039 67.800 68.868 -0.048 0.000 0.863 20 T HN 0.579 nan 8.240 nan 0.000 0.434 21 A N 1.416 124.214 122.820 -0.037 0.000 1.858 21 A HA -0.048 4.272 4.320 0.000 0.000 0.216 21 A C 2.369 179.905 177.584 -0.079 0.000 1.190 21 A CA 1.992 53.994 52.037 -0.058 0.000 0.617 21 A CB -0.853 18.109 19.000 -0.064 0.000 0.827 21 A HN 0.533 nan 8.150 nan 0.000 0.443 22 M N -1.417 118.100 119.600 -0.138 0.000 2.073 22 M HA -0.202 4.278 4.480 0.000 0.000 0.258 22 M C 1.798 177.921 176.300 -0.294 0.000 1.070 22 M CA 2.256 57.399 55.300 -0.261 0.000 1.103 22 M CB -0.310 32.020 32.600 -0.451 0.000 1.321 22 M HN 0.359 nan 8.290 nan 0.000 0.405 23 F N 0.221 120.120 119.950 -0.085 0.000 2.325 23 F HA -0.069 4.458 4.527 0.000 0.000 0.299 23 F C 1.957 177.659 175.800 -0.163 0.000 1.090 23 F CA 0.946 58.856 58.000 -0.150 0.000 1.392 23 F CB -0.615 38.247 39.000 -0.229 0.000 1.053 23 F HN 0.148 nan 8.300 nan 0.000 0.521 24 L N -0.697 120.531 121.223 0.008 0.000 2.072 24 L HA -0.114 4.226 4.340 0.000 0.000 0.205 24 L C 2.670 179.520 176.870 -0.033 0.000 1.079 24 L CA 1.063 55.877 54.840 -0.043 0.000 0.752 24 L CB -0.839 41.176 42.059 -0.073 0.000 0.906 24 L HN 0.118 nan 8.230 nan 0.000 0.436 25 A N -0.073 122.727 122.820 -0.033 0.000 1.930 25 A HA -0.177 4.144 4.320 0.000 0.000 0.217 25 A C 2.317 179.900 177.584 -0.002 0.000 1.175 25 A CA 1.178 53.215 52.037 -0.002 0.000 0.627 25 A CB -0.453 18.556 19.000 0.016 0.000 0.815 25 A HN 0.282 nan 8.150 nan 0.000 0.443 26 R N -0.619 119.814 120.500 -0.111 0.000 2.249 26 R HA -0.088 4.252 4.340 0.000 0.000 0.230 26 R C 1.186 177.428 176.300 -0.097 0.000 1.121 26 R CA 1.113 57.051 56.100 -0.270 0.000 0.997 26 R CB -0.027 30.075 30.300 -0.331 0.000 0.867 26 R HN 0.494 nan 8.270 nan 0.000 0.465 27 Q N -1.065 118.715 119.800 -0.034 0.000 2.282 27 Q HA 0.138 4.478 4.340 0.000 0.000 0.206 27 Q C 0.855 176.864 176.000 0.015 0.000 0.878 27 Q CA 0.627 56.428 55.803 -0.003 0.000 0.944 27 Q CB 1.602 30.338 28.738 -0.004 0.000 1.100 27 Q HN 0.501 nan 8.270 nan 0.000 0.509 28 G N 0.450 109.265 108.800 0.024 0.000 2.141 28 G HA2 -0.230 3.730 3.960 0.000 0.000 0.242 28 G HA3 -0.230 3.730 3.960 0.000 0.000 0.242 28 G C 0.080 174.994 174.900 0.025 0.000 0.982 28 G CA 0.143 45.264 45.100 0.036 0.000 0.662 28 G HN 0.204 nan 8.290 nan 0.000 0.527 29 V N 1.496 121.416 119.914 0.011 0.000 2.461 29 V HA 0.328 4.449 4.120 0.000 0.000 0.275 29 V C 1.232 177.331 176.094 0.008 0.000 1.047 29 V CA -0.485 61.816 62.300 0.003 0.000 0.955 29 V CB 1.067 32.873 31.823 -0.028 0.000 0.988 29 V HN 0.385 nan 8.190 nan 0.000 0.471 30 R N 3.610 124.122 120.500 0.019 0.000 2.345 30 R HA 0.358 4.698 4.340 0.000 0.000 0.331 30 R C -0.488 175.818 176.300 0.010 0.000 1.067 30 R CA 0.013 56.125 56.100 0.019 0.000 0.962 30 R CB 0.711 31.030 30.300 0.032 0.000 0.987 30 R HN 0.502 nan 8.270 nan 0.000 0.451 31 V N 5.322 125.234 119.914 -0.004 0.000 2.735 31 V HA 0.584 4.704 4.120 0.000 0.000 0.310 31 V C -1.573 174.507 176.094 -0.023 0.000 1.061 31 V CA -1.097 61.192 62.300 -0.018 0.000 0.913 31 V CB 2.026 33.828 31.823 -0.035 0.000 1.005 31 V HN 0.550 nan 8.190 nan 0.000 0.428 32 L N 6.483 127.689 121.223 -0.028 0.000 2.409 32 L HA 0.774 5.114 4.340 0.000 0.000 0.272 32 L C -1.093 175.744 176.870 -0.056 0.000 0.980 32 L CA -0.129 54.690 54.840 -0.035 0.000 0.826 32 L CB 2.071 44.124 42.059 -0.011 0.000 1.268 32 L HN 0.525 nan 8.230 nan 0.000 0.407 33 V N 5.317 125.177 119.914 -0.089 0.000 2.459 33 V HA 0.701 4.821 4.120 0.000 0.000 0.295 33 V C -0.433 175.570 176.094 -0.151 0.000 1.029 33 V CA -0.524 61.706 62.300 -0.117 0.000 0.874 33 V CB 1.939 33.673 31.823 -0.149 0.000 0.985 33 V HN 0.655 nan 8.190 nan 0.000 0.438 34 V N 1.966 121.806 119.914 -0.123 0.000 2.680 34 V HA 0.980 5.100 4.120 0.000 0.000 0.309 34 V C -0.855 175.168 176.094 -0.117 0.000 1.052 34 V CA -0.709 61.520 62.300 -0.118 0.000 0.908 34 V CB 1.892 33.681 31.823 -0.057 0.000 1.001 34 V HN 0.898 nan 8.190 nan 0.000 0.431 35 E N 3.198 123.326 120.200 -0.119 0.000 2.274 35 E HA 0.461 4.811 4.350 0.000 0.000 0.269 35 E C 0.690 177.312 176.600 0.037 0.000 0.891 35 E CA -0.404 55.963 56.400 -0.054 0.000 0.784 35 E CB 2.137 31.771 29.700 -0.109 0.000 1.225 35 E HN 0.802 nan 8.360 nan 0.000 0.412 36 R N 3.248 123.771 120.500 0.039 0.000 2.096 36 R HA 0.102 4.442 4.340 0.000 0.000 0.235 36 R C 0.436 176.784 176.300 0.080 0.000 1.127 36 R CA 0.535 56.664 56.100 0.049 0.000 0.968 36 R CB -0.287 30.028 30.300 0.026 0.000 0.861 36 R HN 0.250 nan 8.270 nan 0.000 0.440 37 R N 1.386 121.946 120.500 0.100 0.000 2.679 37 R HA 0.043 4.383 4.340 0.000 0.000 0.268 37 R C -1.766 174.631 176.300 0.161 0.000 1.044 37 R CA -1.439 54.720 56.100 0.098 0.000 1.105 37 R CB 0.172 30.523 30.300 0.085 0.000 0.989 37 R HN 0.072 nan 8.270 nan 0.000 0.447 38 P HA -0.001 nan 4.420 nan 0.000 0.230 38 P C -0.181 176.926 177.300 -0.321 0.000 1.158 38 P CA 0.660 63.737 63.100 -0.037 0.000 0.769 38 P CB 0.477 32.137 31.700 -0.065 0.000 0.807 39 G N -1.719 106.849 108.800 -0.385 0.000 2.579 39 G HA2 0.398 4.358 3.960 0.000 0.000 0.292 39 G HA3 0.398 4.358 3.960 0.000 0.000 0.292 39 G C -1.504 173.196 174.900 -0.333 0.000 1.484 39 G CA -0.774 43.857 45.100 -0.783 0.000 0.813 39 G HN -0.060 nan 8.290 nan 0.000 0.515 40 L N 0.989 122.066 121.223 -0.244 0.000 2.485 40 L HA 0.305 4.646 4.340 0.000 0.000 0.275 40 L C 1.356 178.179 176.870 -0.078 0.000 1.207 40 L CA -0.162 54.682 54.840 0.006 0.000 0.855 40 L CB 0.977 43.070 42.059 0.057 0.000 1.114 40 L HN 0.494 nan 8.230 nan 0.000 0.485 41 S N 3.238 118.903 115.700 -0.058 0.000 2.549 41 S HA 0.199 4.669 4.470 0.000 0.000 0.279 41 S C -1.159 173.377 174.600 -0.106 0.000 1.321 41 S CA -1.211 56.912 58.200 -0.128 0.000 1.054 41 S CB 0.805 63.947 63.200 -0.097 0.000 0.899 41 S HN 0.495 nan 8.310 nan 0.000 0.497 42 P HA 0.055 nan 4.420 nan 0.000 0.245 42 P C -0.376 176.960 177.300 0.061 0.000 1.206 42 P CA 0.183 63.237 63.100 -0.075 0.000 0.781 42 P CB 0.031 31.664 31.700 -0.111 0.000 0.994 43 Y N 1.973 122.258 120.300 -0.025 0.000 2.411 43 Y HA 0.096 4.646 4.550 0.000 0.000 0.333 43 Y C -0.618 175.276 175.900 -0.011 0.000 1.186 43 Y CA -3.000 55.086 58.100 -0.022 0.000 1.381 43 Y CB -0.545 37.898 38.460 -0.028 0.000 1.273 43 Y HN -0.024 nan 8.280 nan 0.000 0.546 44 P HA -0.156 nan 4.420 nan 0.000 0.217 44 P C 0.316 177.671 177.300 0.091 0.000 1.150 44 P CA 1.381 64.538 63.100 0.096 0.000 0.832 44 P CB 0.643 32.384 31.700 0.069 0.000 0.787 45 R N -0.478 120.084 120.500 0.102 0.000 3.682 45 R HA -0.218 4.123 4.340 0.000 0.000 0.519 45 R C 0.774 177.120 176.300 0.077 0.000 0.241 45 R CA 1.478 57.624 56.100 0.077 0.000 1.619 45 R CB -2.545 27.781 30.300 0.043 0.000 0.923 45 R HN 0.300 nan 8.270 nan 0.000 0.598 46 A N 0.945 123.796 122.820 0.052 0.000 2.409 46 A HA 0.599 4.919 4.320 0.000 0.000 0.267 46 A C -0.059 177.544 177.584 0.031 0.000 1.127 46 A CA 0.310 52.372 52.037 0.042 0.000 0.795 46 A CB 0.620 19.646 19.000 0.044 0.000 1.061 46 A HN 0.648 nan 8.150 nan 0.000 0.502 47 A N 1.952 124.778 122.820 0.009 0.000 2.384 47 A HA 0.942 5.262 4.320 0.000 0.000 0.312 47 A C 0.463 178.064 177.584 0.029 0.000 1.113 47 A CA -0.097 51.948 52.037 0.013 0.000 0.779 47 A CB 0.953 19.955 19.000 0.003 0.000 1.307 47 A HN 2.827 nan 8.150 nan 0.000 0.436 48 G N 0.152 108.986 108.800 0.056 0.000 3.019 48 G HA2 0.204 4.164 3.960 0.000 0.000 0.686 48 G HA3 0.204 4.164 3.960 0.000 0.000 0.686 48 G C -1.069 173.915 174.900 0.141 0.000 1.056 48 G CA -0.531 44.664 45.100 0.160 0.000 0.774 48 G HN 0.970 nan 8.290 nan 0.000 0.583 49 Q N 0.814 120.686 119.800 0.120 0.000 2.341 49 Q HA 0.519 4.859 4.340 0.000 0.000 0.268 49 Q C 0.513 176.284 176.000 -0.383 0.000 1.013 49 Q CA -0.846 54.917 55.803 -0.067 0.000 0.798 49 Q CB 1.492 30.214 28.738 -0.026 0.000 1.253 49 Q HN 0.939 nan 8.270 nan 0.000 0.457 50 N N 1.619 119.897 118.700 -0.704 0.000 2.379 50 N HA 0.321 5.061 4.740 0.000 0.000 0.260 50 N C -2.105 172.901 175.510 -0.839 0.000 1.254 50 N CA -1.708 50.507 53.050 -1.392 0.000 0.958 50 N CB 0.208 38.018 38.487 -1.129 0.000 1.208 50 N HN 0.097 nan 8.380 nan 0.000 0.532 51 P HA -0.084 nan 4.420 nan 0.000 0.220 51 P C 1.213 178.339 177.300 -0.291 0.000 1.148 51 P CA 1.299 64.137 63.100 -0.437 0.000 0.803 51 P CB 0.159 31.658 31.700 -0.336 0.000 0.782 52 R N -0.433 119.901 120.500 -0.277 0.000 2.073 52 R HA -0.036 4.304 4.340 0.000 0.000 0.229 52 R C 1.877 178.062 176.300 -0.191 0.000 1.120 52 R CA 2.092 58.082 56.100 -0.183 0.000 0.967 52 R CB -1.680 28.560 30.300 -0.100 0.000 0.862 52 R HN 0.048 nan 8.270 nan 0.000 0.436 53 T N 1.342 115.774 114.554 -0.204 0.000 2.746 53 T HA -0.120 4.230 4.350 0.000 0.000 0.267 53 T C 1.665 176.305 174.700 -0.100 0.000 1.039 53 T CA 1.556 63.574 62.100 -0.136 0.000 1.142 53 T CB -0.130 68.662 68.868 -0.127 0.000 0.866 53 T HN 0.098 nan 8.240 nan 0.000 0.444 54 M N 1.288 120.805 119.600 -0.139 0.000 2.279 54 M HA -0.010 4.470 4.480 0.000 0.000 0.264 54 M C 2.080 178.338 176.300 -0.070 0.000 1.062 54 M CA 1.145 56.394 55.300 -0.086 0.000 1.099 54 M CB -1.142 31.397 32.600 -0.101 0.000 1.394 54 M HN 0.391 nan 8.290 nan 0.000 0.426 55 E N 0.300 120.433 120.200 -0.113 0.000 2.106 55 E HA -0.118 4.232 4.350 0.000 0.000 0.192 55 E C 2.129 178.662 176.600 -0.113 0.000 0.984 55 E CA 0.936 57.270 56.400 -0.109 0.000 0.806 55 E CB -0.051 29.564 29.700 -0.142 0.000 0.750 55 E HN 0.469 nan 8.360 nan 0.000 0.458 56 L N 0.273 121.398 121.223 -0.164 0.000 2.162 56 L HA -0.081 4.260 4.340 0.000 0.000 0.205 56 L C 2.318 179.342 176.870 0.257 0.000 1.086 56 L CA 0.506 55.235 54.840 -0.185 0.000 0.778 56 L CB -0.273 41.526 42.059 -0.433 0.000 0.928 56 L HN 0.131 nan 8.230 nan 0.000 0.446 57 L N -0.296 121.053 121.223 0.209 0.000 2.131 57 L HA -0.175 4.165 4.340 0.000 0.000 0.210 57 L C 2.868 179.834 176.870 0.161 0.000 1.092 57 L CA 0.974 55.946 54.840 0.220 0.000 0.759 57 L CB -0.576 41.549 42.059 0.111 0.000 0.903 57 L HN 0.300 nan 8.230 nan 0.000 0.435 58 R N 1.052 121.615 120.500 0.104 0.000 2.066 58 R HA -0.144 4.196 4.340 0.000 0.000 0.232 58 R C 2.270 178.642 176.300 0.120 0.000 1.131 58 R CA 1.492 57.640 56.100 0.080 0.000 0.955 58 R CB -0.284 30.035 30.300 0.032 0.000 0.851 58 R HN 0.310 nan 8.270 nan 0.000 0.432 59 I N 0.168 120.836 120.570 0.163 0.000 2.208 59 I HA -0.196 3.974 4.170 0.000 0.000 0.245 59 I C 2.257 178.553 176.117 0.298 0.000 1.097 59 I CA 1.585 63.019 61.300 0.224 0.000 1.363 59 I CB -0.474 37.697 38.000 0.284 0.000 1.051 59 I HN 0.343 nan 8.210 nan 0.000 0.413 60 G N -0.289 108.774 108.800 0.438 0.000 2.776 60 G HA2 0.097 4.058 3.960 0.000 0.000 0.209 60 G HA3 0.097 4.058 3.960 0.000 0.000 0.209 60 G C 1.377 176.326 174.900 0.083 0.000 1.145 60 G CA 0.505 45.800 45.100 0.326 0.000 0.791 60 G HN 0.605 nan 8.290 nan 0.000 0.530 61 G N -0.802 108.057 108.800 0.099 0.000 2.160 61 G HA2 -0.226 3.734 3.960 0.000 0.000 0.251 61 G HA3 -0.226 3.734 3.960 0.000 0.000 0.251 61 G C 0.974 175.903 174.900 0.049 0.000 1.008 61 G CA 1.014 46.154 45.100 0.067 0.000 0.724 61 G HN 1.456 nan 8.290 nan 0.000 0.514 62 V N -4.000 115.939 119.914 0.041 0.000 3.528 62 V HA 0.726 4.846 4.120 0.000 0.000 0.294 62 V C 2.290 178.404 176.094 0.033 0.000 1.404 62 V CA 1.050 63.365 62.300 0.025 0.000 1.065 62 V CB 0.001 31.821 31.823 -0.006 0.000 0.904 62 V HN 1.131 nan 8.190 nan 0.000 0.435 63 A N 1.315 124.161 122.820 0.043 0.000 1.908 63 A HA -0.194 4.126 4.320 0.000 0.000 0.218 63 A C 1.887 179.491 177.584 0.033 0.000 1.181 63 A CA 2.338 54.399 52.037 0.039 0.000 0.627 63 A CB -0.683 18.340 19.000 0.039 0.000 0.818 63 A HN 0.549 nan 8.150 nan 0.000 0.445 64 D N -0.229 120.191 120.400 0.032 0.000 2.144 64 D HA -0.127 4.513 4.640 0.000 0.000 0.199 64 D C 1.869 178.184 176.300 0.025 0.000 0.984 64 D CA 1.551 55.568 54.000 0.028 0.000 0.834 64 D CB -0.444 40.373 40.800 0.027 0.000 0.955 64 D HN 0.677 nan 8.370 nan 0.000 0.465 65 E N 0.319 120.533 120.200 0.023 0.000 2.106 65 E HA -0.092 4.258 4.350 0.000 0.000 0.192 65 E C 2.283 178.894 176.600 0.019 0.000 0.984 65 E CA 0.383 56.794 56.400 0.018 0.000 0.806 65 E CB 0.089 29.798 29.700 0.015 0.000 0.750 65 E HN 0.051 nan 8.360 nan 0.000 0.458 66 V N 0.667 120.594 119.914 0.022 0.000 2.343 66 V HA -0.221 3.899 4.120 0.000 0.000 0.247 66 V C 2.206 178.316 176.094 0.027 0.000 1.051 66 V CA 1.296 63.611 62.300 0.025 0.000 1.036 66 V CB -0.244 31.597 31.823 0.029 0.000 0.654 66 V HN 0.159 nan 8.190 nan 0.000 0.451 67 V N -0.393 119.539 119.914 0.030 0.000 2.548 67 V HA -0.169 3.951 4.120 0.000 0.000 0.249 67 V C 2.511 178.616 176.094 0.020 0.000 1.055 67 V CA 1.732 64.051 62.300 0.032 0.000 1.065 67 V CB -0.659 31.187 31.823 0.040 0.000 0.681 67 V HN 0.472 nan 8.190 nan 0.000 0.462 68 R N -0.023 120.487 120.500 0.017 0.000 2.153 68 R HA 0.166 4.507 4.340 0.000 0.000 0.218 68 R C 1.186 177.490 176.300 0.006 0.000 1.072 68 R CA 0.637 56.743 56.100 0.011 0.000 0.990 68 R CB -0.173 30.134 30.300 0.011 0.000 0.889 68 R HN 0.493 nan 8.270 nan 0.000 0.452 69 A N 1.662 124.486 122.820 0.008 0.000 2.346 69 A HA 0.052 4.372 4.320 0.000 0.000 0.252 69 A C -0.553 177.031 177.584 0.000 0.000 1.089 69 A CA -0.449 51.591 52.037 0.005 0.000 0.797 69 A CB 0.244 19.249 19.000 0.008 0.000 1.047 69 A HN 0.097 nan 8.150 nan 0.000 0.494 70 D N 1.412 121.811 120.400 -0.000 0.000 2.382 70 D HA 0.259 4.899 4.640 0.000 0.000 0.259 70 D C -0.002 176.296 176.300 -0.003 0.000 1.224 70 D CA 0.366 54.364 54.000 -0.004 0.000 0.894 70 D CB 0.640 41.440 40.800 -0.001 0.000 1.127 70 D HN 0.590 nan 8.370 nan 0.000 0.487 71 D N 0.266 120.658 120.400 -0.014 0.000 2.539 71 D HA 0.194 4.834 4.640 0.000 0.000 0.276 71 D C 1.292 177.591 176.300 -0.003 0.000 1.206 71 D CA -0.690 53.299 54.000 -0.018 0.000 1.081 71 D CB 0.520 41.286 40.800 -0.056 0.000 1.142 71 D HN 0.387 nan 8.370 nan 0.000 0.595 72 I N -4.086 116.486 120.570 0.003 0.000 3.883 72 I HA 0.298 4.468 4.170 0.000 0.000 0.326 72 I C 0.756 176.953 176.117 0.132 0.000 1.283 72 I CA -0.622 60.718 61.300 0.068 0.000 1.161 72 I CB -0.088 37.977 38.000 0.107 0.000 1.012 72 I HN -0.069 nan 8.210 nan 0.000 0.421 73 R N 2.096 122.631 120.500 0.057 0.000 2.827 73 R HA 0.330 4.670 4.340 0.000 0.000 0.269 73 R C 0.831 177.192 176.300 0.103 0.000 1.048 73 R CA 0.444 56.610 56.100 0.110 0.000 1.173 73 R CB 0.305 30.551 30.300 -0.090 0.000 1.070 73 R HN 0.407 nan 8.270 nan 0.000 0.498 74 G N -0.769 108.103 108.800 0.120 0.000 2.621 74 G HA2 -0.004 3.956 3.960 0.000 0.000 0.271 74 G HA3 -0.004 3.956 3.960 0.000 0.000 0.271 74 G C 1.045 175.974 174.900 0.048 0.000 1.236 74 G CA -0.026 45.127 45.100 0.089 0.000 0.958 74 G HN 0.705 nan 8.290 nan 0.000 0.512 75 T N -2.813 111.768 114.554 0.046 0.000 2.929 75 T HA -0.118 4.232 4.350 0.000 0.000 0.271 75 T C 1.656 176.371 174.700 0.024 0.000 1.085 75 T CA 1.507 63.625 62.100 0.030 0.000 1.125 75 T CB -0.080 68.806 68.868 0.031 0.000 0.874 75 T HN 0.476 nan 8.240 nan 0.000 0.494 76 Q N 0.773 120.593 119.800 0.033 0.000 2.322 76 Q HA 0.271 4.611 4.340 0.000 0.000 0.203 76 Q C 1.306 177.320 176.000 0.022 0.000 0.923 76 Q CA 0.165 55.987 55.803 0.031 0.000 0.949 76 Q CB -0.098 28.664 28.738 0.040 0.000 1.039 76 Q HN 0.808 nan 8.270 nan 0.000 0.496 77 G N 2.364 111.164 108.800 0.000 0.000 2.305 77 G HA2 -0.278 3.682 3.960 0.000 0.000 0.287 77 G HA3 -0.278 3.682 3.960 0.000 0.000 0.287 77 G C -0.448 174.416 174.900 -0.061 0.000 1.036 77 G CA 0.909 45.974 45.100 -0.058 0.000 0.887 77 G HN 0.439 nan 8.290 nan 0.000 0.505 78 D N -1.581 118.839 120.400 0.034 0.000 2.523 78 D HA 0.809 5.450 4.640 0.000 0.000 0.236 78 D C -0.884 175.558 176.300 0.238 0.000 1.094 78 D CA -0.664 53.418 54.000 0.136 0.000 0.942 78 D CB 1.362 42.238 40.800 0.127 0.000 1.447 78 D HN 0.270 nan 8.370 nan 0.000 0.479 79 F N 2.102 122.117 119.950 0.109 0.000 2.623 79 F HA 0.486 5.013 4.527 0.000 0.000 0.323 79 F C -2.048 173.797 175.800 0.074 0.000 1.158 79 F CA -0.652 57.410 58.000 0.103 0.000 1.030 79 F CB 1.275 40.353 39.000 0.130 0.000 1.280 79 F HN 0.215 nan 8.300 nan 0.000 0.474 80 V N 7.355 127.072 119.914 -0.328 0.000 2.680 80 V HA 0.674 4.794 4.120 0.000 0.000 0.309 80 V C -0.939 174.898 176.094 -0.429 0.000 1.052 80 V CA -0.657 61.496 62.300 -0.245 0.000 0.908 80 V CB 2.076 33.794 31.823 -0.175 0.000 1.001 80 V HN 0.648 nan 8.190 nan 0.000 0.431 81 I N 6.866 127.318 120.570 -0.197 0.000 2.406 81 I HA 0.656 4.826 4.170 0.000 0.000 0.290 81 I C -0.146 175.912 176.117 -0.099 0.000 0.999 81 I CA -0.562 60.664 61.300 -0.123 0.000 1.124 81 I CB 1.700 39.767 38.000 0.112 0.000 1.289 81 I HN 0.532 nan 8.210 nan 0.000 0.441 82 R N 4.999 125.409 120.500 -0.149 0.000 2.668 82 R HA 0.600 4.940 4.340 0.000 0.000 0.272 82 R C -1.765 174.615 176.300 0.135 0.000 1.019 82 R CA -1.071 54.993 56.100 -0.060 0.000 0.894 82 R CB 2.434 32.611 30.300 -0.204 0.000 1.228 82 R HN 0.314 nan 8.270 nan 0.000 0.460 83 L N 1.866 123.186 121.223 0.162 0.000 2.276 83 L HA 0.715 5.056 4.340 0.000 0.000 0.286 83 L C -0.198 176.771 176.870 0.164 0.000 1.061 83 L CA 0.242 55.214 54.840 0.220 0.000 0.807 83 L CB 1.581 43.733 42.059 0.155 0.000 1.177 83 L HN 0.838 nan 8.230 nan 0.000 0.429 84 A N 2.698 125.638 122.820 0.199 0.000 2.594 84 A HA 0.600 4.920 4.320 0.000 0.000 0.291 84 A C 0.417 178.072 177.584 0.119 0.000 1.105 84 A CA -0.464 51.660 52.037 0.146 0.000 0.694 84 A CB 0.993 20.100 19.000 0.179 0.000 1.291 84 A HN 0.719 nan 8.150 nan 0.000 0.410 85 E N -0.100 120.141 120.200 0.069 0.000 2.170 85 E HA 0.068 4.418 4.350 0.000 0.000 0.191 85 E C 0.538 177.179 176.600 0.068 0.000 0.981 85 E CA 1.244 57.669 56.400 0.041 0.000 0.830 85 E CB 0.162 29.860 29.700 -0.002 0.000 0.775 85 E HN 0.730 nan 8.360 nan 0.000 0.470 86 S N -1.661 114.062 115.700 0.039 0.000 2.579 86 S HA 0.252 4.722 4.470 0.000 0.000 0.272 86 S C 0.714 175.245 174.600 -0.115 0.000 1.141 86 S CA -0.901 57.292 58.200 -0.012 0.000 0.843 86 S CB 1.670 64.884 63.200 0.022 0.000 1.122 86 S HN -0.140 nan 8.310 nan 0.000 0.468 87 V N 1.344 121.072 119.914 -0.311 0.000 2.214 87 V HA -0.125 3.995 4.120 0.000 0.000 0.245 87 V C 1.521 177.382 176.094 -0.387 0.000 1.047 87 V CA 2.130 64.062 62.300 -0.613 0.000 0.998 87 V CB -1.000 30.193 31.823 -1.051 0.000 0.633 87 V HN 0.935 nan 8.190 nan 0.000 0.446 88 R N 0.901 121.217 120.500 -0.306 0.000 2.891 88 R HA 0.542 4.882 4.340 0.000 0.000 0.248 88 R C 0.072 176.316 176.300 -0.093 0.000 1.439 88 R CA 0.511 56.507 56.100 -0.174 0.000 1.288 88 R CB 0.006 30.209 30.300 -0.161 0.000 1.212 88 R HN 0.382 nan 8.270 nan 0.000 0.605 89 G N 1.192 109.963 108.800 -0.048 0.000 2.588 89 G HA2 0.210 4.170 3.960 0.000 0.000 0.281 89 G HA3 0.210 4.170 3.960 0.000 0.000 0.281 89 G C -1.512 173.394 174.900 0.011 0.000 1.223 89 G CA -0.787 44.302 45.100 -0.018 0.000 0.871 89 G HN 0.289 nan 8.290 nan 0.000 0.492 90 E N 0.009 120.217 120.200 0.013 0.000 2.197 90 E HA 0.575 4.925 4.350 0.000 0.000 0.281 90 E C -0.301 176.318 176.600 0.032 0.000 0.995 90 E CA -0.401 56.010 56.400 0.018 0.000 0.808 90 E CB 1.940 31.643 29.700 0.005 0.000 1.093 90 E HN 0.385 nan 8.360 nan 0.000 0.394 91 I N 4.784 125.376 120.570 0.035 0.000 2.379 91 I HA -0.003 4.167 4.170 0.000 0.000 0.290 91 I C 1.115 177.248 176.117 0.027 0.000 1.063 91 I CA 0.022 61.349 61.300 0.044 0.000 1.351 91 I CB 0.458 38.478 38.000 0.034 0.000 1.410 91 I HN 0.502 nan 8.210 nan 0.000 0.505 92 L N 5.411 126.655 121.223 0.035 0.000 2.027 92 L HA 0.038 4.378 4.340 0.000 0.000 0.206 92 L C 1.160 178.029 176.870 -0.001 0.000 1.074 92 L CA 1.044 55.891 54.840 0.011 0.000 0.745 92 L CB -0.370 41.695 42.059 0.009 0.000 0.898 92 L HN 0.604 nan 8.230 nan 0.000 0.433 93 R N -0.848 119.657 120.500 0.009 0.000 2.561 93 R HA 0.274 4.614 4.340 0.000 0.000 0.266 93 R C -1.454 174.849 176.300 0.005 0.000 1.091 93 R CA -0.369 55.728 56.100 -0.004 0.000 0.927 93 R CB 1.727 32.013 30.300 -0.023 0.000 1.240 93 R HN -0.229 nan 8.270 nan 0.000 0.449 94 T N 3.641 118.191 114.554 -0.006 0.000 2.738 94 T HA 0.168 4.518 4.350 0.000 0.000 0.298 94 T C 1.163 175.854 174.700 -0.014 0.000 0.962 94 T CA -0.575 61.517 62.100 -0.013 0.000 0.972 94 T CB 1.433 70.290 68.868 -0.018 0.000 0.928 94 T HN 0.399 nan 8.240 nan 0.000 0.474 95 V N 2.775 122.688 119.914 -0.002 0.000 2.231 95 V HA -0.005 4.115 4.120 0.000 0.000 0.240 95 V C 1.478 177.555 176.094 -0.027 0.000 1.039 95 V CA 1.097 63.390 62.300 -0.011 0.000 0.998 95 V CB -0.080 31.760 31.823 0.028 0.000 0.639 95 V HN 0.763 nan 8.190 nan 0.000 0.451 96 S N -1.133 114.554 115.700 -0.021 0.000 2.449 96 S HA 0.298 4.769 4.470 0.000 0.000 0.310 96 S C 0.624 175.209 174.600 -0.025 0.000 1.096 96 S CA -0.538 57.644 58.200 -0.031 0.000 1.095 96 S CB 1.645 64.823 63.200 -0.037 0.000 1.007 96 S HN 0.412 nan 8.310 nan 0.000 0.474 97 E N 3.498 123.686 120.200 -0.019 0.000 2.107 97 E HA 0.023 4.373 4.350 0.000 0.000 0.191 97 E C 0.503 177.110 176.600 0.012 0.000 0.982 97 E CA 1.129 57.524 56.400 -0.009 0.000 0.809 97 E CB 0.153 29.850 29.700 -0.005 0.000 0.756 97 E HN 0.656 nan 8.360 nan 0.000 0.459 98 S N -2.623 113.093 115.700 0.027 0.000 2.615 98 S HA 0.236 4.706 4.470 0.000 0.000 0.269 98 S C 0.299 174.963 174.600 0.106 0.000 1.161 98 S CA -0.416 57.834 58.200 0.083 0.000 0.817 98 S CB -0.099 63.149 63.200 0.080 0.000 1.131 98 S HN 0.072 nan 8.310 nan 0.000 0.467 99 F N 1.494 121.469 119.950 0.043 0.000 2.146 99 F HA 0.070 4.598 4.527 0.000 0.000 0.298 99 F C 1.695 177.485 175.800 -0.017 0.000 1.096 99 F CA 1.989 59.993 58.000 0.007 0.000 1.275 99 F CB -0.347 38.678 39.000 0.041 0.000 1.008 99 F HN 0.674 nan 8.300 nan 0.000 0.480 100 D N 0.219 120.673 120.400 0.090 0.000 2.218 100 D HA -0.147 4.493 4.640 0.000 0.000 0.204 100 D C 1.602 177.847 176.300 -0.093 0.000 0.976 100 D CA 1.284 55.295 54.000 0.018 0.000 0.853 100 D CB -0.324 40.539 40.800 0.106 0.000 0.939 100 D HN 0.353 nan 8.370 nan 0.000 0.481 101 D N -0.997 119.349 120.400 -0.090 0.000 2.305 101 D HA 0.051 4.691 4.640 0.000 0.000 0.206 101 D C 1.878 178.093 176.300 -0.141 0.000 0.974 101 D CA 0.121 54.071 54.000 -0.083 0.000 0.871 101 D CB 0.058 40.832 40.800 -0.042 0.000 0.947 101 D HN 0.145 nan 8.370 nan 0.000 0.516 102 M N -0.164 119.276 119.600 -0.267 0.000 2.123 102 M HA -0.123 4.357 4.480 0.000 0.000 0.263 102 M C 1.711 177.826 176.300 -0.308 0.000 1.069 102 M CA 0.986 56.065 55.300 -0.369 0.000 1.133 102 M CB 0.209 32.417 32.600 -0.654 0.000 1.356 102 M HN -0.124 nan 8.290 nan 0.000 0.415 103 V N 0.653 120.326 119.914 -0.402 0.000 2.295 103 V HA -0.259 3.861 4.120 0.000 0.000 0.246 103 V C 2.594 178.659 176.094 -0.048 0.000 1.049 103 V CA 1.968 64.183 62.300 -0.141 0.000 1.024 103 V CB -1.577 30.112 31.823 -0.223 0.000 0.648 103 V HN 0.617 nan 8.190 nan 0.000 0.447 104 A N 0.097 122.870 122.820 -0.078 0.000 1.978 104 A HA -0.144 4.176 4.320 0.000 0.000 0.220 104 A C 2.419 179.994 177.584 -0.014 0.000 1.170 104 A CA 2.045 54.061 52.037 -0.035 0.000 0.636 104 A CB -0.745 18.236 19.000 -0.032 0.000 0.810 104 A HN 0.612 nan 8.150 nan 0.000 0.448 105 A N -0.552 122.263 122.820 -0.008 0.000 1.940 105 A HA -0.095 4.225 4.320 0.000 0.000 0.219 105 A C 2.189 179.794 177.584 0.035 0.000 1.176 105 A CA 2.420 54.469 52.037 0.019 0.000 0.631 105 A CB -0.842 18.180 19.000 0.036 0.000 0.814 105 A HN 0.871 nan 8.150 nan 0.000 0.446 106 T N -4.114 110.466 114.554 0.044 0.000 3.040 106 T HA 0.182 4.532 4.350 0.000 0.000 0.266 106 T C 1.311 175.986 174.700 -0.042 0.000 1.005 106 T CA 0.519 62.628 62.100 0.015 0.000 0.906 106 T CB 0.300 69.190 68.868 0.036 0.000 1.082 106 T HN 0.394 nan 8.240 nan 0.000 0.531 107 E N 2.645 122.822 120.200 -0.039 0.000 2.171 107 E HA -0.104 4.246 4.350 0.000 0.000 0.197 107 E C -0.827 175.716 176.600 -0.094 0.000 0.997 107 E CA 1.365 57.718 56.400 -0.078 0.000 0.810 107 E CB -0.705 28.973 29.700 -0.037 0.000 0.738 107 E HN 0.453 nan 8.360 nan 0.000 0.467 108 P HA 0.001 nan 4.420 nan 0.000 0.241 108 P C 1.233 178.583 177.300 0.085 0.000 1.191 108 P CA 0.647 63.778 63.100 0.052 0.000 0.771 108 P CB -0.336 31.385 31.700 0.036 0.000 0.929 109 C N -4.552 114.717 119.300 -0.051 0.000 3.183 109 C HA 0.546 5.007 4.460 0.000 0.000 0.285 109 C C 0.603 175.488 174.990 -0.175 0.000 1.313 109 C CA -0.274 58.713 59.018 -0.052 0.000 1.711 109 C CB -1.171 26.528 27.740 -0.069 0.000 2.135 109 C HN 0.182 nan 8.230 nan 0.000 0.651 110 T N 1.007 115.303 114.554 -0.430 0.000 3.047 110 T HA 0.463 4.813 4.350 0.000 0.000 0.340 110 T C -2.439 171.895 174.700 -0.610 0.000 1.421 110 T CA -0.355 61.458 62.100 -0.478 0.000 1.090 110 T CB 2.133 70.859 68.868 -0.237 0.000 1.292 110 T HN -0.061 nan 8.240 nan 0.000 0.480 111 P HA 0.242 nan 4.420 nan 0.000 0.226 111 P C 0.543 177.761 177.300 -0.137 0.000 1.161 111 P CA 0.140 63.092 63.100 -0.246 0.000 0.804 111 P CB 0.014 31.660 31.700 -0.089 0.000 0.829 112 A N 0.250 122.987 122.820 -0.138 0.000 2.386 112 A HA 0.491 4.811 4.320 0.000 0.000 0.246 112 A C 0.973 178.504 177.584 -0.089 0.000 1.089 112 A CA 0.485 52.463 52.037 -0.099 0.000 0.790 112 A CB -0.309 18.619 19.000 -0.120 0.000 1.042 112 A HN 0.278 nan 8.150 nan 0.000 0.497 113 G N -1.246 107.529 108.800 -0.041 0.000 3.356 113 G HA2 0.509 4.469 3.960 0.000 0.000 0.178 113 G HA3 0.509 4.469 3.960 0.000 0.000 0.178 113 G C -1.211 173.678 174.900 -0.019 0.000 1.130 113 G CA -0.683 44.429 45.100 0.020 0.000 0.800 113 G HN 0.667 nan 8.290 nan 0.000 0.669 114 W N 0.157 121.463 121.300 0.010 0.000 2.639 114 W HA 0.753 5.413 4.660 0.000 0.000 0.347 114 W C 0.223 176.844 176.519 0.169 0.000 1.067 114 W CA -0.094 57.289 57.345 0.063 0.000 1.218 114 W CB 2.125 31.600 29.460 0.024 0.000 1.393 114 W HN 0.634 nan 8.180 nan 0.000 0.557 115 A N 2.814 125.825 122.820 0.319 0.000 2.386 115 A HA 0.871 5.191 4.320 0.000 0.000 0.308 115 A C -0.414 177.309 177.584 0.232 0.000 1.128 115 A CA -0.667 51.509 52.037 0.231 0.000 0.789 115 A CB 1.415 20.480 19.000 0.108 0.000 1.325 115 A HN 0.627 nan 8.150 nan 0.000 0.437 116 M N 1.505 121.169 119.600 0.107 0.000 3.017 116 M HA 0.226 4.706 4.480 0.000 0.000 0.423 116 M C -0.807 175.497 176.300 0.007 0.000 1.395 116 M CA 0.325 55.646 55.300 0.035 0.000 0.816 116 M CB -0.752 31.799 32.600 -0.082 0.000 1.440 116 M HN 0.565 nan 8.290 nan 0.000 0.506 117 L N 1.172 122.412 121.223 0.027 0.000 2.439 117 L HA 0.314 4.654 4.340 0.000 0.000 0.269 117 L C 1.122 178.008 176.870 0.026 0.000 1.179 117 L CA -0.298 54.554 54.840 0.021 0.000 0.828 117 L CB 0.184 42.257 42.059 0.023 0.000 1.106 117 L HN 0.291 nan 8.230 nan 0.000 0.467 118 S N 0.480 116.197 115.700 0.028 0.000 2.600 118 S HA 0.025 4.495 4.470 0.000 0.000 0.265 118 S C 0.733 175.354 174.600 0.036 0.000 1.325 118 S CA -0.532 57.690 58.200 0.036 0.000 1.002 118 S CB 1.256 64.482 63.200 0.043 0.000 0.921 118 S HN 0.747 nan 8.310 nan 0.000 0.554 119 Q N 1.004 120.829 119.800 0.041 0.000 2.152 119 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 119 Q C 1.600 177.621 176.000 0.035 0.000 0.985 119 Q CA 2.164 57.990 55.803 0.039 0.000 0.863 119 Q CB -0.340 28.423 28.738 0.042 0.000 0.904 119 Q HN 0.928 nan 8.270 nan 0.000 0.422 120 D N -0.960 119.464 120.400 0.039 0.000 2.348 120 D HA -0.164 4.476 4.640 0.000 0.000 0.216 120 D C 1.115 177.427 176.300 0.020 0.000 0.970 120 D CA 0.734 54.751 54.000 0.029 0.000 0.889 120 D CB 0.071 40.891 40.800 0.033 0.000 0.912 120 D HN 0.170 nan 8.370 nan 0.000 0.524 121 K N -0.150 120.263 120.400 0.022 0.000 2.276 121 K HA 0.087 4.407 4.320 0.000 0.000 0.198 121 K C 2.027 178.637 176.600 0.017 0.000 1.052 121 K CA -0.074 56.222 56.287 0.016 0.000 0.984 121 K CB -0.179 32.329 32.500 0.015 0.000 0.836 121 K HN 0.159 nan 8.250 nan 0.000 0.490 122 L N 2.202 123.438 121.223 0.021 0.000 2.095 122 L HA -0.020 4.320 4.340 0.000 0.000 0.204 122 L C 1.793 178.673 176.870 0.016 0.000 1.080 122 L CA 1.751 56.602 54.840 0.020 0.000 0.759 122 L CB -0.250 41.824 42.059 0.025 0.000 0.914 122 L HN 0.109 nan 8.230 nan 0.000 0.439 123 E N -0.198 120.015 120.200 0.021 0.000 2.110 123 E HA -0.174 4.176 4.350 0.000 0.000 0.193 123 E C -0.551 176.063 176.600 0.024 0.000 0.988 123 E CA 1.327 57.741 56.400 0.023 0.000 0.804 123 E CB -0.990 28.730 29.700 0.034 0.000 0.745 123 E HN 0.474 nan 8.360 nan 0.000 0.458 124 P HA -0.153 nan 4.420 nan 0.000 0.216 124 P C 1.208 178.515 177.300 0.012 0.000 1.150 124 P CA 1.129 64.243 63.100 0.023 0.000 0.837 124 P CB 0.015 31.724 31.700 0.015 0.000 0.786 125 I N -1.385 119.188 120.570 0.006 0.000 2.179 125 I HA -0.227 3.943 4.170 0.000 0.000 0.242 125 I C 2.345 178.450 176.117 -0.021 0.000 1.088 125 I CA 1.320 62.618 61.300 -0.003 0.000 1.357 125 I CB -0.717 37.283 38.000 -0.001 0.000 1.051 125 I HN -0.139 nan 8.210 nan 0.000 0.409 126 L N -0.295 120.909 121.223 -0.032 0.000 1.989 126 L HA -0.236 4.104 4.340 0.000 0.000 0.211 126 L C 2.636 179.475 176.870 -0.052 0.000 1.071 126 L CA 1.153 55.951 54.840 -0.071 0.000 0.749 126 L CB -0.883 41.135 42.059 -0.068 0.000 0.890 126 L HN 0.278 nan 8.230 nan 0.000 0.431 127 L N 0.683 121.895 121.223 -0.019 0.000 2.042 127 L HA -0.187 4.154 4.340 0.000 0.000 0.210 127 L C 2.633 179.502 176.870 -0.003 0.000 1.076 127 L CA 2.052 56.888 54.840 -0.006 0.000 0.749 127 L CB -0.739 41.340 42.059 0.033 0.000 0.893 127 L HN 0.179 nan 8.230 nan 0.000 0.432 128 A N -1.181 121.640 122.820 0.003 0.000 1.972 128 A HA -0.257 4.064 4.320 0.000 0.000 0.219 128 A C 2.253 179.839 177.584 0.004 0.000 1.169 128 A CA 1.748 53.787 52.037 0.004 0.000 0.635 128 A CB -0.562 18.441 19.000 0.004 0.000 0.810 128 A HN 0.631 nan 8.150 nan 0.000 0.446 129 Q N -0.576 119.226 119.800 0.003 0.000 2.250 129 Q HA 0.235 4.575 4.340 0.000 0.000 0.200 129 Q C 1.944 178.002 176.000 0.097 0.000 0.941 129 Q CA 1.513 57.344 55.803 0.047 0.000 0.872 129 Q CB -0.502 28.237 28.738 0.000 0.000 0.965 129 Q HN 0.470 nan 8.270 nan 0.000 0.480 130 A N 0.849 123.673 122.820 0.006 0.000 1.908 130 A HA -0.204 4.116 4.320 0.000 0.000 0.218 130 A C 2.108 179.708 177.584 0.027 0.000 1.181 130 A CA 1.658 53.696 52.037 0.001 0.000 0.627 130 A CB -0.457 18.517 19.000 -0.043 0.000 0.818 130 A HN 0.384 nan 8.150 nan 0.000 0.445 131 R N -0.813 119.692 120.500 0.008 0.000 2.119 131 R HA -0.037 4.303 4.340 0.000 0.000 0.222 131 R C 2.318 178.603 176.300 -0.024 0.000 1.088 131 R CA 1.238 57.335 56.100 -0.005 0.000 0.984 131 R CB -0.218 30.079 30.300 -0.006 0.000 0.884 131 R HN 0.652 nan 8.270 nan 0.000 0.447 132 K N 0.476 120.848 120.400 -0.047 0.000 2.147 132 K HA -0.158 4.162 4.320 0.000 0.000 0.205 132 K C 0.732 177.158 176.600 -0.290 0.000 1.049 132 K CA 1.539 57.729 56.287 -0.161 0.000 0.936 132 K CB 0.020 32.410 32.500 -0.182 0.000 0.722 132 K HN 0.286 nan 8.250 nan 0.000 0.446 133 H N -1.375 117.681 119.070 -0.024 0.000 2.524 133 H HA 0.213 4.769 4.556 0.000 0.000 0.280 133 H C 0.631 175.948 175.328 -0.017 0.000 1.018 133 H CA 0.645 56.681 56.048 -0.019 0.000 1.165 133 H CB 1.014 30.762 29.762 -0.023 0.000 1.411 133 H HN 0.541 nan 8.280 nan 0.000 0.569 134 G N -0.285 108.536 108.800 0.035 0.000 2.144 134 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 134 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 134 G C 0.689 175.598 174.900 0.014 0.000 0.988 134 G CA -0.173 44.937 45.100 0.017 0.000 0.659 134 G HN 0.712 nan 8.290 nan 0.000 0.522 135 G N -0.503 108.305 108.800 0.014 0.000 2.562 135 G HA2 0.843 4.803 3.960 0.000 0.000 0.275 135 G HA3 0.843 4.803 3.960 0.000 0.000 0.275 135 G C 0.053 174.942 174.900 -0.017 0.000 1.196 135 G CA 0.352 45.449 45.100 -0.006 0.000 0.908 135 G HN 1.623 nan 8.290 nan 0.000 0.524 136 A N -0.267 122.534 122.820 -0.031 0.000 2.539 136 A HA 0.761 5.081 4.320 0.000 0.000 0.296 136 A C -1.198 176.342 177.584 -0.073 0.000 1.073 136 A CA -0.592 51.423 52.037 -0.038 0.000 0.700 136 A CB 1.688 20.673 19.000 -0.025 0.000 1.296 136 A HN 0.979 nan 8.150 nan 0.000 0.405 137 I N 0.049 120.561 120.570 -0.096 0.000 2.730 137 I HA 0.678 4.848 4.170 0.000 0.000 0.298 137 I C -0.731 175.269 176.117 -0.195 0.000 1.089 137 I CA -0.762 60.416 61.300 -0.204 0.000 1.041 137 I CB 1.845 39.645 38.000 -0.332 0.000 1.235 137 I HN 0.722 nan 8.210 nan 0.000 0.423 138 R N 6.064 126.416 120.500 -0.245 0.000 2.468 138 R HA 0.418 4.758 4.340 0.000 0.000 0.302 138 R C -1.494 174.710 176.300 -0.160 0.000 1.041 138 R CA -0.528 55.497 56.100 -0.124 0.000 0.899 138 R CB 1.298 31.596 30.300 -0.003 0.000 1.167 138 R HN 0.376 nan 8.270 nan 0.000 0.483 139 F N 0.401 120.360 119.950 0.016 0.000 2.378 139 F HA 0.310 4.837 4.527 0.000 0.000 0.319 139 F C 1.751 177.561 175.800 0.016 0.000 1.155 139 F CA 0.843 58.848 58.000 0.008 0.000 1.157 139 F CB 1.117 40.115 39.000 -0.003 0.000 1.252 139 F HN 0.775 nan 8.300 nan 0.000 0.550 140 G N 0.960 109.899 108.800 0.232 0.000 2.160 140 G HA2 -0.231 3.729 3.960 0.000 0.000 0.251 140 G HA3 -0.231 3.729 3.960 0.000 0.000 0.251 140 G C -0.169 174.787 174.900 0.093 0.000 1.008 140 G CA 0.261 45.438 45.100 0.129 0.000 0.724 140 G HN 0.737 nan 8.290 nan 0.000 0.514 141 T N -0.260 114.340 114.554 0.076 0.000 2.809 141 T HA 0.635 4.985 4.350 0.000 0.000 0.284 141 T C -0.077 174.628 174.700 0.008 0.000 0.992 141 T CA -0.609 61.519 62.100 0.047 0.000 0.957 141 T CB 2.200 71.103 68.868 0.059 0.000 0.942 141 T HN 0.537 nan 8.240 nan 0.000 0.439 142 R N 2.786 123.278 120.500 -0.013 0.000 2.534 142 R HA 0.580 4.920 4.340 0.000 0.000 0.301 142 R C -1.008 175.263 176.300 -0.048 0.000 0.961 142 R CA -0.997 55.091 56.100 -0.020 0.000 0.871 142 R CB 0.985 31.282 30.300 -0.006 0.000 1.170 142 R HN 0.493 nan 8.270 nan 0.000 0.446 143 L N 5.849 127.053 121.223 -0.032 0.000 2.361 143 L HA 0.154 4.494 4.340 0.000 0.000 0.278 143 L C 0.093 176.964 176.870 0.000 0.000 1.113 143 L CA 0.439 55.266 54.840 -0.022 0.000 0.849 143 L CB 0.745 42.807 42.059 0.005 0.000 1.155 143 L HN 0.842 nan 8.230 nan 0.000 0.452 144 L N 3.154 124.370 121.223 -0.012 0.000 2.189 144 L HA 0.238 4.578 4.340 0.000 0.000 0.199 144 L C 0.848 177.726 176.870 0.013 0.000 1.074 144 L CA 0.831 55.667 54.840 -0.007 0.000 0.783 144 L CB -0.240 41.800 42.059 -0.031 0.000 0.955 144 L HN 0.863 nan 8.230 nan 0.000 0.460 145 S N -0.931 114.788 115.700 0.031 0.000 2.661 145 S HA 0.573 5.043 4.470 0.000 0.000 0.268 145 S C -1.268 173.404 174.600 0.121 0.000 1.162 145 S CA -0.866 57.342 58.200 0.012 0.000 0.817 145 S CB 1.785 64.921 63.200 -0.107 0.000 1.141 145 S HN 0.116 nan 8.310 nan 0.000 0.477 146 F N -1.306 118.623 119.950 -0.036 0.000 2.641 146 F HA 0.853 5.380 4.527 0.000 0.000 0.308 146 F C -0.862 174.913 175.800 -0.042 0.000 1.105 146 F CA -1.076 56.906 58.000 -0.031 0.000 0.964 146 F CB 1.345 40.328 39.000 -0.030 0.000 1.294 146 F HN 0.762 nan 8.300 nan 0.000 0.442 147 R N 1.652 122.205 120.500 0.087 0.000 2.778 147 R HA 0.527 4.867 4.340 0.000 0.000 0.277 147 R C -1.010 175.285 176.300 -0.009 0.000 0.977 147 R CA -1.053 55.013 56.100 -0.057 0.000 0.950 147 R CB 2.352 32.579 30.300 -0.121 0.000 1.165 147 R HN 0.761 nan 8.270 nan 0.000 0.474 148 Q N 1.195 120.908 119.800 -0.146 0.000 2.297 148 Q HA 0.366 4.706 4.340 0.000 0.000 0.268 148 Q C -1.037 174.738 176.000 -0.375 0.000 1.045 148 Q CA -0.765 54.972 55.803 -0.111 0.000 0.861 148 Q CB 2.290 31.021 28.738 -0.011 0.000 1.344 148 Q HN 0.533 nan 8.270 nan 0.000 0.452 149 H N 1.325 120.396 119.070 0.002 0.000 2.823 149 H HA 0.189 4.745 4.556 0.000 0.000 0.332 149 H C -1.101 174.222 175.328 -0.009 0.000 0.980 149 H CA -0.634 55.415 56.048 0.002 0.000 1.286 149 H CB 1.312 31.084 29.762 0.016 0.000 1.541 149 H HN 0.635 nan 8.280 nan 0.000 0.521 150 D N 1.822 122.264 120.400 0.070 0.000 2.362 150 D HA -0.070 4.571 4.640 0.000 0.000 0.238 150 D C 1.053 177.383 176.300 0.050 0.000 1.212 150 D CA -0.310 53.712 54.000 0.037 0.000 0.902 150 D CB 1.374 42.186 40.800 0.020 0.000 1.180 150 D HN 0.421 nan 8.370 nan 0.000 0.445 151 D N 0.461 120.879 120.400 0.030 0.000 2.116 151 D HA -0.182 4.458 4.640 0.000 0.000 0.193 151 D C 1.478 177.794 176.300 0.027 0.000 0.998 151 D CA 1.445 55.462 54.000 0.028 0.000 0.836 151 D CB -0.155 40.658 40.800 0.021 0.000 0.951 151 D HN 0.558 nan 8.370 nan 0.000 0.449 152 D N 1.081 121.494 120.400 0.023 0.000 2.149 152 D HA -0.174 4.466 4.640 0.000 0.000 0.194 152 D C 1.649 177.961 176.300 0.021 0.000 1.001 152 D CA 1.544 55.555 54.000 0.018 0.000 0.849 152 D CB -0.594 40.216 40.800 0.016 0.000 0.939 152 D HN 0.219 nan 8.370 nan 0.000 0.449 153 A N -0.915 121.929 122.820 0.039 0.000 2.308 153 A HA 0.607 4.927 4.320 0.000 0.000 0.217 153 A C 1.467 179.071 177.584 0.035 0.000 1.216 153 A CA 0.723 52.789 52.037 0.049 0.000 0.864 153 A CB 0.227 19.283 19.000 0.095 0.000 0.902 153 A HN 0.440 nan 8.150 nan 0.000 0.499 154 G N -1.033 107.791 108.800 0.040 0.000 3.517 154 G HA2 0.498 4.458 3.960 0.000 0.000 0.173 154 G HA3 0.498 4.458 3.960 0.000 0.000 0.173 154 G C 0.222 175.143 174.900 0.036 0.000 1.340 154 G CA 0.386 45.509 45.100 0.038 0.000 1.228 154 G HN 0.719 nan 8.290 nan 0.000 0.745 155 A N -0.810 122.054 122.820 0.073 0.000 2.257 155 A HA 0.876 5.196 4.320 0.000 0.000 0.289 155 A C 0.502 178.174 177.584 0.145 0.000 1.095 155 A CA 0.621 52.706 52.037 0.080 0.000 0.836 155 A CB 0.768 19.773 19.000 0.009 0.000 1.111 155 A HN 2.181 nan 8.150 nan 0.000 0.497 156 G N -2.130 106.703 108.800 0.056 0.000 2.321 156 G HA2 0.535 4.496 3.960 0.000 0.000 0.296 156 G HA3 0.535 4.496 3.960 0.000 0.000 0.296 156 G C -1.841 173.073 174.900 0.023 0.000 1.287 156 G CA 0.037 45.107 45.100 -0.050 0.000 0.846 156 G HN 1.336 nan 8.290 nan 0.000 0.508 157 V N -0.002 119.907 119.914 -0.009 0.000 2.686 157 V HA 0.717 4.837 4.120 0.000 0.000 0.306 157 V C -0.281 175.895 176.094 0.137 0.000 1.065 157 V CA -0.655 61.704 62.300 0.097 0.000 0.894 157 V CB 1.935 33.742 31.823 -0.027 0.000 1.004 157 V HN 0.885 nan 8.190 nan 0.000 0.424 158 T N 3.740 118.442 114.554 0.246 0.000 2.794 158 T HA 0.789 5.139 4.350 0.000 0.000 0.280 158 T C -0.087 174.716 174.700 0.171 0.000 0.987 158 T CA -0.248 61.962 62.100 0.184 0.000 0.993 158 T CB 1.653 70.666 68.868 0.242 0.000 0.939 158 T HN 1.010 nan 8.240 nan 0.000 0.449 159 A N 3.115 126.001 122.820 0.111 0.000 2.374 159 A HA 0.815 5.135 4.320 0.000 0.000 0.317 159 A C -0.356 177.243 177.584 0.026 0.000 1.094 159 A CA -0.868 51.230 52.037 0.103 0.000 0.765 159 A CB 1.308 20.337 19.000 0.048 0.000 1.268 159 A HN 0.729 nan 8.150 nan 0.000 0.438 160 R N 1.651 122.154 120.500 0.005 0.000 2.445 160 R HA 0.683 5.023 4.340 0.000 0.000 0.308 160 R C -1.595 174.608 176.300 -0.162 0.000 0.961 160 R CA -0.392 55.659 56.100 -0.081 0.000 0.862 160 R CB 0.771 31.044 30.300 -0.045 0.000 1.144 160 R HN 0.726 nan 8.270 nan 0.000 0.447 161 L N 2.136 123.137 121.223 -0.369 0.000 2.341 161 L HA 0.670 5.010 4.340 0.000 0.000 0.267 161 L C -0.417 176.235 176.870 -0.363 0.000 1.009 161 L CA -1.036 53.550 54.840 -0.424 0.000 0.819 161 L CB 2.147 43.804 42.059 -0.671 0.000 1.323 161 L HN 0.643 nan 8.230 nan 0.000 0.425 162 A N 1.063 123.773 122.820 -0.183 0.000 2.399 162 A HA 0.738 5.059 4.320 0.000 0.000 0.327 162 A C 0.099 177.681 177.584 -0.004 0.000 1.367 162 A CA -0.250 51.744 52.037 -0.071 0.000 0.842 162 A CB 0.356 19.337 19.000 -0.032 0.000 1.142 162 A HN 0.777 nan 8.150 nan 0.000 0.495 163 G N 1.406 110.258 108.800 0.086 0.000 2.568 163 G HA2 0.551 4.511 3.960 0.000 0.000 0.293 163 G HA3 0.551 4.511 3.960 0.000 0.000 0.293 163 G C -1.697 173.273 174.900 0.117 0.000 1.347 163 G CA -1.333 43.864 45.100 0.162 0.000 1.039 163 G HN 0.329 nan 8.290 nan 0.000 0.523 164 P HA 0.046 nan 4.420 nan 0.000 0.219 164 P C 0.681 178.019 177.300 0.063 0.000 1.150 164 P CA 0.832 63.973 63.100 0.069 0.000 0.814 164 P CB 0.338 32.074 31.700 0.059 0.000 0.787 165 D N -0.863 119.583 120.400 0.076 0.000 2.325 165 D HA 0.201 4.841 4.640 0.000 0.000 0.225 165 D C 1.373 177.720 176.300 0.079 0.000 1.096 165 D CA 0.705 54.741 54.000 0.060 0.000 0.844 165 D CB 0.145 40.967 40.800 0.037 0.000 0.925 165 D HN 0.097 nan 8.370 nan 0.000 0.513 166 G N 1.212 110.068 108.800 0.094 0.000 2.484 166 G HA2 -0.224 3.736 3.960 0.000 0.000 0.225 166 G HA3 -0.224 3.736 3.960 0.000 0.000 0.225 166 G C -0.471 174.508 174.900 0.133 0.000 1.250 166 G CA -0.769 44.384 45.100 0.089 0.000 0.926 166 G HN 0.227 nan 8.290 nan 0.000 0.581 167 E N 0.108 120.370 120.200 0.103 0.000 2.277 167 E HA 0.636 4.986 4.350 0.000 0.000 0.274 167 E C -0.469 176.234 176.600 0.172 0.000 1.022 167 E CA -0.164 56.276 56.400 0.066 0.000 0.853 167 E CB 1.274 30.984 29.700 0.016 0.000 1.086 167 E HN 0.799 nan 8.360 nan 0.000 0.397 168 Y N -1.094 119.217 120.300 0.018 0.000 2.677 168 Y HA 0.470 5.020 4.550 0.000 0.000 0.334 168 Y C -1.527 174.388 175.900 0.024 0.000 1.196 168 Y CA -1.447 56.664 58.100 0.018 0.000 1.059 168 Y CB 1.026 39.495 38.460 0.015 0.000 1.315 168 Y HN 0.198 nan 8.280 nan 0.000 0.455 169 D N 1.465 121.980 120.400 0.191 0.000 2.185 169 D HA 0.601 5.241 4.640 0.000 0.000 0.247 169 D C -1.557 174.864 176.300 0.202 0.000 1.027 169 D CA -0.119 53.949 54.000 0.112 0.000 0.861 169 D CB 2.292 43.148 40.800 0.093 0.000 1.202 169 D HN 0.643 nan 8.370 nan 0.000 0.453 170 L N 1.803 123.104 121.223 0.131 0.000 2.410 170 L HA 0.444 4.784 4.340 0.000 0.000 0.270 170 L C -0.741 176.179 176.870 0.083 0.000 0.983 170 L CA -0.544 54.378 54.840 0.136 0.000 0.822 170 L CB 1.594 43.743 42.059 0.151 0.000 1.285 170 L HN 0.223 nan 8.230 nan 0.000 0.409 171 R N 3.717 124.263 120.500 0.077 0.000 2.229 171 R HA 0.793 5.133 4.340 0.000 0.000 0.332 171 R C -0.737 175.576 176.300 0.022 0.000 0.989 171 R CA -0.534 55.603 56.100 0.062 0.000 0.842 171 R CB 1.339 31.700 30.300 0.101 0.000 1.119 171 R HN 0.643 nan 8.270 nan 0.000 0.456 172 A N 1.480 124.251 122.820 -0.082 0.000 2.330 172 A HA 0.589 4.910 4.320 0.000 0.000 0.329 172 A C 1.090 178.343 177.584 -0.551 0.000 1.135 172 A CA -0.571 51.352 52.037 -0.191 0.000 0.817 172 A CB 1.452 20.393 19.000 -0.097 0.000 1.269 172 A HN 0.779 nan 8.150 nan 0.000 0.469 173 G N -0.838 107.538 108.800 -0.706 0.000 2.448 173 G HA2 0.250 4.210 3.960 0.000 0.000 0.218 173 G HA3 0.250 4.210 3.960 0.000 0.000 0.218 173 G C 0.039 174.519 174.900 -0.699 0.000 1.135 173 G CA 0.991 45.603 45.100 -0.813 0.000 0.784 173 G HN 0.579 nan 8.290 nan 0.000 0.543 174 Y N -2.159 118.046 120.300 -0.157 0.000 2.597 174 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 174 Y C -0.722 175.132 175.900 -0.076 0.000 1.097 174 Y CA -1.063 57.004 58.100 -0.055 0.000 1.037 174 Y CB 2.174 40.641 38.460 0.011 0.000 1.305 174 Y HN -0.046 nan 8.280 nan 0.000 0.463 175 L N 2.371 123.645 121.223 0.085 0.000 2.381 175 L HA 0.822 5.162 4.340 0.000 0.000 0.274 175 L C -1.770 175.106 176.870 0.011 0.000 0.988 175 L CA -0.821 53.989 54.840 -0.051 0.000 0.824 175 L CB 1.368 43.270 42.059 -0.262 0.000 1.263 175 L HN 0.498 nan 8.230 nan 0.000 0.410 176 V N 3.647 123.548 119.914 -0.022 0.000 2.459 176 V HA 0.541 4.661 4.120 0.000 0.000 0.295 176 V C 0.586 176.647 176.094 -0.055 0.000 1.029 176 V CA -0.425 61.870 62.300 -0.008 0.000 0.874 176 V CB 1.580 33.363 31.823 -0.066 0.000 0.985 176 V HN 0.871 nan 8.190 nan 0.000 0.438 177 G N 3.091 111.867 108.800 -0.040 0.000 2.741 177 G HA2 0.519 4.479 3.960 0.000 0.000 0.336 177 G HA3 0.519 4.479 3.960 0.000 0.000 0.336 177 G C 0.324 175.196 174.900 -0.046 0.000 1.022 177 G CA 0.198 45.260 45.100 -0.063 0.000 1.193 177 G HN 1.019 nan 8.290 nan 0.000 0.455 178 A N 2.780 125.573 122.820 -0.045 0.000 2.842 178 A HA 0.321 4.641 4.320 0.000 0.000 0.298 178 A C 1.035 178.598 177.584 -0.035 0.000 1.293 178 A CA -0.244 51.771 52.037 -0.036 0.000 0.959 178 A CB 0.107 19.088 19.000 -0.030 0.000 1.119 178 A HN 0.535 nan 8.150 nan 0.000 0.564 179 D N -0.465 119.912 120.400 -0.038 0.000 2.395 179 D HA 0.379 5.019 4.640 0.000 0.000 0.226 179 D C 0.819 177.104 176.300 -0.026 0.000 1.146 179 D CA 0.523 54.506 54.000 -0.028 0.000 0.830 179 D CB -0.425 40.361 40.800 -0.023 0.000 0.958 179 D HN 0.801 nan 8.370 nan 0.000 0.501 180 G N 1.488 110.269 108.800 -0.033 0.000 2.728 180 G HA2 -0.343 3.617 3.960 0.000 0.000 0.294 180 G HA3 -0.343 3.617 3.960 0.000 0.000 0.294 180 G C 0.493 175.374 174.900 -0.032 0.000 1.342 180 G CA -0.048 45.034 45.100 -0.029 0.000 0.866 180 G HN 0.352 nan 8.290 nan 0.000 0.534 181 N N -0.102 118.587 118.700 -0.019 0.000 2.061 181 N HA -0.134 4.606 4.740 0.000 0.000 0.193 181 N C 1.543 177.048 175.510 -0.009 0.000 1.030 181 N CA 2.087 55.131 53.050 -0.010 0.000 0.856 181 N CB -0.104 38.398 38.487 0.025 0.000 1.023 181 N HN 0.629 nan 8.380 nan 0.000 0.424 182 R N 0.663 121.163 120.500 0.001 0.000 4.518 182 R HA 0.114 4.454 4.340 0.000 0.000 0.243 182 R C -0.373 175.928 176.300 0.001 0.000 1.720 182 R CA -0.168 55.936 56.100 0.006 0.000 1.526 182 R CB -0.162 30.147 30.300 0.016 0.000 1.425 182 R HN 0.145 nan 8.270 nan 0.000 0.787 183 S N 1.520 117.215 115.700 -0.009 0.000 2.466 183 S HA 0.004 4.474 4.470 0.000 0.000 0.286 183 S C 1.494 176.102 174.600 0.013 0.000 1.221 183 S CA -0.448 57.746 58.200 -0.009 0.000 1.091 183 S CB 0.329 63.510 63.200 -0.032 0.000 0.956 183 S HN 0.620 nan 8.310 nan 0.000 0.501 184 L N 6.507 127.744 121.223 0.024 0.000 2.021 184 L HA -0.141 4.199 4.340 0.000 0.000 0.215 184 L C 1.907 178.833 176.870 0.093 0.000 1.074 184 L CA 1.988 56.858 54.840 0.050 0.000 0.760 184 L CB -0.429 41.662 42.059 0.053 0.000 0.889 184 L HN 0.675 nan 8.230 nan 0.000 0.433 185 V N 0.043 120.006 119.914 0.082 0.000 2.223 185 V HA -0.337 3.784 4.120 0.000 0.000 0.244 185 V C 2.703 178.868 176.094 0.119 0.000 1.045 185 V CA 2.368 64.742 62.300 0.123 0.000 1.000 185 V CB -0.884 30.928 31.823 -0.018 0.000 0.635 185 V HN 0.552 nan 8.190 nan 0.000 0.445 186 R N -0.031 120.492 120.500 0.038 0.000 2.103 186 R HA -0.260 4.080 4.340 0.000 0.000 0.242 186 R C 2.350 178.673 176.300 0.038 0.000 1.142 186 R CA 2.363 58.475 56.100 0.020 0.000 0.960 186 R CB -0.302 29.979 30.300 -0.031 0.000 0.858 186 R HN 0.669 nan 8.270 nan 0.000 0.439 187 E N -0.489 119.733 120.200 0.036 0.000 2.152 187 E HA -0.083 4.267 4.350 0.000 0.000 0.192 187 E C 1.691 178.309 176.600 0.030 0.000 0.983 187 E CA 1.030 57.447 56.400 0.028 0.000 0.818 187 E CB 0.145 29.858 29.700 0.021 0.000 0.758 187 E HN 0.284 nan 8.360 nan 0.000 0.467 188 S N 0.272 116.005 115.700 0.055 0.000 2.423 188 S HA -0.025 4.446 4.470 0.000 0.000 0.231 188 S C 1.606 176.206 174.600 -0.000 0.000 1.014 188 S CA 0.542 58.752 58.200 0.016 0.000 0.965 188 S CB 0.053 63.271 63.200 0.031 0.000 0.785 188 S HN 0.271 nan 8.310 nan 0.000 0.495 189 L N 0.473 121.738 121.223 0.069 0.000 2.592 189 L HA 0.223 4.563 4.340 0.000 0.000 0.227 189 L C 1.546 178.432 176.870 0.027 0.000 1.127 189 L CA 0.249 55.127 54.840 0.063 0.000 0.884 189 L CB -0.370 41.759 42.059 0.117 0.000 1.065 189 L HN 0.439 nan 8.230 nan 0.000 0.457 190 G N 1.316 110.128 108.800 0.019 0.000 2.198 190 G HA2 -0.301 3.659 3.960 0.000 0.000 0.260 190 G HA3 -0.301 3.659 3.960 0.000 0.000 0.260 190 G C 0.208 175.124 174.900 0.026 0.000 1.025 190 G CA -0.017 45.092 45.100 0.015 0.000 0.769 190 G HN 0.330 nan 8.290 nan 0.000 0.507 191 I N 1.311 121.900 120.570 0.033 0.000 2.441 191 I HA 0.451 4.621 4.170 0.000 0.000 0.287 191 I C 1.408 177.551 176.117 0.043 0.000 1.049 191 I CA 0.144 61.469 61.300 0.042 0.000 1.381 191 I CB 1.040 39.066 38.000 0.043 0.000 1.409 191 I HN 0.157 nan 8.210 nan 0.000 0.523 192 G N 5.653 114.490 108.800 0.062 0.000 2.507 192 G HA2 0.558 4.519 3.960 0.000 0.000 0.271 192 G HA3 0.558 4.519 3.960 0.000 0.000 0.271 192 G C -0.337 174.623 174.900 0.099 0.000 1.189 192 G CA -0.609 44.534 45.100 0.071 0.000 0.859 192 G HN 0.571 nan 8.290 nan 0.000 0.542 193 R N -0.975 119.574 120.500 0.082 0.000 2.758 193 R HA 0.583 4.923 4.340 0.000 0.000 0.265 193 R C -0.869 175.524 176.300 0.156 0.000 1.016 193 R CA -0.669 55.473 56.100 0.069 0.000 1.040 193 R CB 1.613 31.899 30.300 -0.022 0.000 1.152 193 R HN 0.735 nan 8.270 nan 0.000 0.503 194 Y N -2.016 118.314 120.300 0.050 0.000 2.634 194 Y HA 0.881 5.431 4.550 0.000 0.000 0.340 194 Y C 0.141 176.076 175.900 0.059 0.000 1.058 194 Y CA -0.744 57.387 58.100 0.052 0.000 1.081 194 Y CB 1.547 40.041 38.460 0.056 0.000 1.295 194 Y HN 0.808 nan 8.280 nan 0.000 0.487 195 G N 0.072 108.982 108.800 0.184 0.000 2.316 195 G HA2 -0.184 3.776 3.960 0.000 0.000 0.349 195 G HA3 -0.184 3.776 3.960 0.000 0.000 0.349 195 G C -0.364 174.627 174.900 0.152 0.000 1.274 195 G CA -0.004 45.175 45.100 0.132 0.000 1.018 195 G HN 1.277 nan 8.290 nan 0.000 0.486 196 H N 0.405 119.522 119.070 0.077 0.000 2.457 196 H HA 0.300 4.856 4.556 0.000 0.000 0.297 196 H C 1.949 177.327 175.328 0.084 0.000 1.092 196 H CA 3.512 59.642 56.048 0.137 0.000 1.309 196 H CB -0.338 29.543 29.762 0.198 0.000 1.382 196 H HN 2.324 nan 8.280 nan 0.000 0.535 197 G N -0.897 107.928 108.800 0.041 0.000 2.553 197 G HA2 -0.318 3.642 3.960 0.000 0.000 0.242 197 G HA3 -0.318 3.642 3.960 0.000 0.000 0.242 197 G C -0.075 174.823 174.900 -0.002 0.000 1.277 197 G CA -0.086 45.000 45.100 -0.023 0.000 0.910 197 G HN 0.539 nan 8.290 nan 0.000 0.576 198 T N 0.806 115.339 114.554 -0.036 0.000 2.891 198 T HA 0.223 4.573 4.350 0.000 0.000 0.296 198 T C 1.468 176.188 174.700 0.033 0.000 1.025 198 T CA 1.161 63.234 62.100 -0.046 0.000 1.149 198 T CB 0.926 69.782 68.868 -0.020 0.000 1.007 198 T HN 1.147 nan 8.240 nan 0.000 0.528 199 L N 3.374 124.562 121.223 -0.058 0.000 2.453 199 L HA 0.462 4.802 4.340 0.000 0.000 0.190 199 L C 0.899 177.704 176.870 -0.108 0.000 1.093 199 L CA 1.052 55.859 54.840 -0.056 0.000 0.834 199 L CB 0.498 42.345 42.059 -0.354 0.000 1.090 199 L HN 0.721 nan 8.230 nan 0.000 0.489 200 T N -1.593 112.812 114.554 -0.248 0.000 2.775 200 T HA 0.359 4.709 4.350 0.000 0.000 0.320 200 T C -1.722 172.798 174.700 -0.299 0.000 1.597 200 T CA -0.636 61.386 62.100 -0.129 0.000 1.022 200 T CB 0.581 69.401 68.868 -0.080 0.000 1.485 200 T HN 0.327 nan 8.240 nan 0.000 0.494 201 H N 1.195 120.095 119.070 -0.284 0.000 2.679 201 H HA 0.795 5.351 4.556 0.000 0.000 0.367 201 H C -0.585 174.490 175.328 -0.421 0.000 1.162 201 H CA -0.857 54.937 56.048 -0.424 0.000 1.181 201 H CB 2.253 31.567 29.762 -0.748 0.000 1.693 201 H HN 0.537 nan 8.280 nan 0.000 0.538 202 M N 1.226 120.819 119.600 -0.012 0.000 2.603 202 M HA 0.283 4.764 4.480 0.000 0.000 0.275 202 M C -1.864 174.662 176.300 0.377 0.000 1.226 202 M CA -0.689 54.746 55.300 0.225 0.000 0.870 202 M CB 3.001 35.732 32.600 0.218 0.000 1.716 202 M HN 0.257 nan 8.290 nan 0.000 0.482 203 V N 1.833 121.861 119.914 0.190 0.000 2.444 203 V HA 0.700 4.820 4.120 0.000 0.000 0.294 203 V C 0.187 176.221 176.094 -0.099 0.000 1.022 203 V CA -0.653 61.598 62.300 -0.081 0.000 0.850 203 V CB 1.559 32.891 31.823 -0.818 0.000 0.992 203 V HN 0.926 nan 8.190 nan 0.000 0.426 204 G N 3.651 112.371 108.800 -0.132 0.000 2.372 204 G HA2 0.570 4.530 3.960 0.000 0.000 0.283 204 G HA3 0.570 4.530 3.960 0.000 0.000 0.283 204 G C -0.903 173.743 174.900 -0.423 0.000 1.177 204 G CA -0.288 44.401 45.100 -0.684 0.000 0.842 204 G HN 0.583 nan 8.290 nan 0.000 0.503 205 V N 3.625 123.289 119.914 -0.418 0.000 2.525 205 V HA 0.339 4.459 4.120 0.000 0.000 0.299 205 V C -0.192 175.833 176.094 -0.115 0.000 1.034 205 V CA -0.586 61.614 62.300 -0.166 0.000 0.863 205 V CB 1.508 33.315 31.823 -0.026 0.000 0.999 205 V HN 0.666 nan 8.190 nan 0.000 0.423 206 I N 6.486 126.959 120.570 -0.163 0.000 2.331 206 I HA 0.586 4.757 4.170 0.000 0.000 0.292 206 I C -0.367 175.738 176.117 -0.020 0.000 0.998 206 I CA -0.146 61.032 61.300 -0.202 0.000 1.267 206 I CB 0.771 38.568 38.000 -0.339 0.000 1.386 206 I HN 0.698 nan 8.210 nan 0.000 0.476 207 F N 3.190 123.092 119.950 -0.079 0.000 2.613 207 F HA 0.703 5.230 4.527 0.000 0.000 0.314 207 F C -1.301 174.494 175.800 -0.008 0.000 1.075 207 F CA -1.225 56.760 58.000 -0.025 0.000 0.945 207 F CB 1.017 40.025 39.000 0.013 0.000 1.310 207 F HN 0.168 nan 8.300 nan 0.000 0.467 208 D N 1.293 121.806 120.400 0.188 0.000 2.185 208 D HA 0.756 5.396 4.640 0.000 0.000 0.247 208 D C -0.963 175.520 176.300 0.304 0.000 1.027 208 D CA -0.128 53.931 54.000 0.099 0.000 0.861 208 D CB 1.857 42.681 40.800 0.041 0.000 1.202 208 D HN 1.042 nan 8.370 nan 0.000 0.453 209 A N 1.389 124.380 122.820 0.286 0.000 2.580 209 A HA 0.316 4.636 4.320 0.000 0.000 0.301 209 A C -1.626 176.145 177.584 0.311 0.000 1.054 209 A CA -0.862 51.365 52.037 0.317 0.000 0.751 209 A CB 1.181 20.446 19.000 0.441 0.000 1.275 209 A HN 0.363 nan 8.150 nan 0.000 0.403 210 D N 2.278 122.791 120.400 0.187 0.000 2.374 210 D HA 0.348 4.988 4.640 0.000 0.000 0.240 210 D C 0.187 176.566 176.300 0.132 0.000 1.229 210 D CA -0.183 53.910 54.000 0.154 0.000 0.895 210 D CB 0.707 41.561 40.800 0.091 0.000 1.046 210 D HN 0.243 nan 8.370 nan 0.000 0.498 211 L N 3.314 124.623 121.223 0.144 0.000 2.611 211 L HA 0.068 4.408 4.340 0.000 0.000 0.229 211 L C 2.279 179.172 176.870 0.039 0.000 1.137 211 L CA 0.312 55.185 54.840 0.056 0.000 0.901 211 L CB -0.958 41.087 42.059 -0.022 0.000 1.098 211 L HN 0.359 nan 8.230 nan 0.000 0.456 212 S N -0.045 115.690 115.700 0.059 0.000 2.423 212 S HA -0.199 4.271 4.470 0.000 0.000 0.238 212 S C 2.039 176.653 174.600 0.023 0.000 1.028 212 S CA 1.680 59.906 58.200 0.043 0.000 1.000 212 S CB -0.095 63.132 63.200 0.045 0.000 0.797 212 S HN 0.588 nan 8.310 nan 0.000 0.487 213 G N 0.970 109.781 108.800 0.018 0.000 2.396 213 G HA2 0.040 4.000 3.960 0.000 0.000 0.214 213 G HA3 0.040 4.000 3.960 0.000 0.000 0.214 213 G C 1.087 175.982 174.900 -0.008 0.000 1.166 213 G CA 0.846 45.950 45.100 0.006 0.000 0.793 213 G HN 0.686 nan 8.290 nan 0.000 0.533 214 I N -2.676 117.881 120.570 -0.021 0.000 3.941 214 I HA 0.552 4.722 4.170 0.000 0.000 0.335 214 I C 0.237 176.315 176.117 -0.065 0.000 1.402 214 I CA -0.188 61.086 61.300 -0.045 0.000 1.112 214 I CB 0.601 38.565 38.000 -0.061 0.000 1.043 214 I HN -0.094 nan 8.210 nan 0.000 0.395 215 M N 1.579 121.150 119.600 -0.047 0.000 2.263 215 M HA 0.444 4.924 4.480 0.000 0.000 0.295 215 M C -0.676 175.616 176.300 -0.014 0.000 1.028 215 M CA -0.336 54.933 55.300 -0.052 0.000 0.921 215 M CB 2.266 34.827 32.600 -0.064 0.000 1.601 215 M HN 0.111 nan 8.290 nan 0.000 0.440 216 E N 3.964 124.159 120.200 -0.008 0.000 2.418 216 E HA 0.152 4.502 4.350 0.000 0.000 0.261 216 E C -2.297 174.317 176.600 0.023 0.000 1.070 216 E CA -1.343 55.063 56.400 0.009 0.000 0.931 216 E CB 0.016 29.723 29.700 0.012 0.000 0.954 216 E HN 0.365 nan 8.360 nan 0.000 0.439 217 P HA -0.049 nan 4.420 nan 0.000 0.269 217 P C 0.171 177.496 177.300 0.041 0.000 1.211 217 P CA 0.539 63.659 63.100 0.034 0.000 0.781 217 P CB 0.301 32.019 31.700 0.029 0.000 0.877 218 G N 1.013 109.842 108.800 0.048 0.000 2.422 218 G HA2 -0.281 3.679 3.960 0.000 0.000 0.301 218 G HA3 -0.281 3.679 3.960 0.000 0.000 0.301 218 G C 0.688 175.625 174.900 0.062 0.000 0.981 218 G CA 0.804 45.938 45.100 0.056 0.000 0.994 218 G HN 0.619 nan 8.290 nan 0.000 0.514 219 T N -0.065 114.533 114.554 0.073 0.000 3.174 219 T HA 0.315 4.665 4.350 0.000 0.000 0.269 219 T C 1.285 176.075 174.700 0.151 0.000 1.017 219 T CA 0.692 62.852 62.100 0.100 0.000 0.899 219 T CB 0.024 68.946 68.868 0.090 0.000 1.077 219 T HN 0.388 nan 8.240 nan 0.000 0.552 220 T N 1.720 116.339 114.554 0.108 0.000 2.919 220 T HA 0.578 4.928 4.350 0.000 0.000 0.302 220 T C 0.528 175.165 174.700 -0.104 0.000 1.031 220 T CA 0.309 62.476 62.100 0.112 0.000 1.127 220 T CB 0.991 69.939 68.868 0.133 0.000 0.952 220 T HN 0.567 nan 8.240 nan 0.000 0.540 221 G N 1.261 109.933 108.800 -0.214 0.000 2.359 221 G HA2 0.237 4.197 3.960 0.000 0.000 0.293 221 G HA3 0.237 4.197 3.960 0.000 0.000 0.293 221 G C -2.111 172.572 174.900 -0.363 0.000 1.300 221 G CA -1.007 43.470 45.100 -1.038 0.000 0.888 221 G HN 0.703 nan 8.290 nan 0.000 0.541 222 W N 0.963 121.835 121.300 -0.714 0.000 2.391 222 W HA 0.721 5.382 4.660 0.000 0.000 0.311 222 W C -1.621 174.637 176.519 -0.434 0.000 1.087 222 W CA -0.856 56.344 57.345 -0.242 0.000 1.209 222 W CB 1.317 30.728 29.460 -0.082 0.000 1.273 222 W HN 0.460 nan 8.180 nan 0.000 0.482 223 Y N 5.008 124.873 120.300 -0.725 0.000 2.341 223 Y HA 0.242 4.792 4.550 0.000 0.000 0.338 223 Y C -0.742 174.759 175.900 -0.666 0.000 0.965 223 Y CA -0.883 56.938 58.100 -0.464 0.000 1.108 223 Y CB 1.227 39.570 38.460 -0.196 0.000 1.180 223 Y HN 0.183 nan 8.280 nan 0.000 0.458 224 Y N 3.951 124.227 120.300 -0.040 0.000 2.404 224 Y HA 0.385 4.936 4.550 0.000 0.000 0.344 224 Y C -0.282 175.587 175.900 -0.053 0.000 0.970 224 Y CA -0.717 57.362 58.100 -0.035 0.000 1.180 224 Y CB 0.503 39.000 38.460 0.062 0.000 1.138 224 Y HN 0.374 nan 8.280 nan 0.000 0.510 225 L N 5.308 126.495 121.223 -0.058 0.000 2.255 225 L HA 0.297 4.637 4.340 0.000 0.000 0.289 225 L C -0.253 176.384 176.870 -0.388 0.000 1.046 225 L CA -0.346 54.407 54.840 -0.144 0.000 0.816 225 L CB 0.304 42.287 42.059 -0.125 0.000 1.197 225 L HN 0.635 nan 8.230 nan 0.000 0.427 226 H N 2.624 121.663 119.070 -0.053 0.000 2.680 226 H HA 0.222 4.778 4.556 0.000 0.000 0.260 226 H C -0.838 174.421 175.328 -0.115 0.000 1.328 226 H CA -0.467 55.535 56.048 -0.076 0.000 1.269 226 H CB 0.687 30.430 29.762 -0.031 0.000 1.446 226 H HN 0.541 nan 8.280 nan 0.000 0.527 227 H N 3.232 122.126 119.070 -0.293 0.000 2.499 227 H HA 0.201 4.757 4.556 0.000 0.000 0.340 227 H C -1.514 173.719 175.328 -0.159 0.000 1.148 227 H CA -1.941 53.917 56.048 -0.317 0.000 1.215 227 H CB 1.695 31.006 29.762 -0.751 0.000 1.529 227 H HN 0.204 nan 8.280 nan 0.000 0.510 228 P HA -0.198 nan 4.420 nan 0.000 0.216 228 P C 0.680 177.986 177.300 0.009 0.000 1.154 228 P CA 1.511 64.471 63.100 -0.232 0.000 0.865 228 P CB 0.390 31.910 31.700 -0.300 0.000 0.789 229 E N -1.587 118.790 120.200 0.295 0.000 2.170 229 E HA 0.044 4.394 4.350 0.000 0.000 0.191 229 E C 0.633 177.489 176.600 0.426 0.000 0.981 229 E CA 0.589 57.240 56.400 0.419 0.000 0.830 229 E CB 0.080 30.112 29.700 0.553 0.000 0.775 229 E HN 0.393 nan 8.360 nan 0.000 0.470 230 F N -1.097 119.006 119.950 0.254 0.000 2.693 230 F HA 0.584 5.111 4.527 0.000 0.000 0.309 230 F C -1.115 174.784 175.800 0.166 0.000 1.129 230 F CA -1.454 56.654 58.000 0.181 0.000 0.948 230 F CB 1.325 40.410 39.000 0.143 0.000 1.315 230 F HN -0.469 nan 8.300 nan 0.000 0.447 231 K N 1.132 121.666 120.400 0.223 0.000 2.182 231 K HA 0.827 5.147 4.320 0.000 0.000 0.262 231 K C -0.325 176.433 176.600 0.263 0.000 0.957 231 K CA -0.470 55.861 56.287 0.073 0.000 0.842 231 K CB 1.803 34.373 32.500 0.116 0.000 1.099 231 K HN 1.101 nan 8.250 nan 0.000 0.438 232 G N 0.364 109.235 108.800 0.119 0.000 2.490 232 G HA2 0.432 4.393 3.960 0.000 0.000 0.308 232 G HA3 0.432 4.393 3.960 0.000 0.000 0.308 232 G C -1.348 173.645 174.900 0.155 0.000 1.286 232 G CA -0.567 44.702 45.100 0.281 0.000 0.825 232 G HN 0.597 nan 8.290 nan 0.000 0.479 233 T N -2.740 111.926 114.554 0.187 0.000 2.843 233 T HA 0.758 5.108 4.350 0.000 0.000 0.302 233 T C -1.657 172.977 174.700 -0.109 0.000 1.232 233 T CA -0.710 61.318 62.100 -0.119 0.000 1.009 233 T CB 2.330 71.085 68.868 -0.187 0.000 1.254 233 T HN 1.569 nan 8.240 nan 0.000 0.504 234 F N 0.095 119.619 119.950 -0.711 0.000 2.588 234 F HA 0.713 5.240 4.527 0.000 0.000 0.314 234 F C -0.399 175.084 175.800 -0.528 0.000 1.134 234 F CA -0.035 57.727 58.000 -0.397 0.000 0.961 234 F CB 1.717 40.601 39.000 -0.194 0.000 1.239 234 F HN 1.140 nan 8.300 nan 0.000 0.448 235 G N 4.570 112.863 108.800 -0.845 0.000 2.694 235 G HA2 0.726 4.686 3.960 0.000 0.000 0.290 235 G HA3 0.726 4.686 3.960 0.000 0.000 0.290 235 G C -3.442 171.313 174.900 -0.241 0.000 1.386 235 G CA -1.756 43.263 45.100 -0.136 0.000 0.872 235 G HN 0.382 nan 8.290 nan 0.000 0.475 236 P HA 0.463 nan 4.420 nan 0.000 0.281 236 P C -0.185 177.175 177.300 0.101 0.000 1.281 236 P CA -0.158 63.024 63.100 0.138 0.000 0.811 236 P CB 1.881 33.740 31.700 0.265 0.000 1.154 237 T N -3.719 110.851 114.554 0.027 0.000 2.742 237 T HA 0.344 4.694 4.350 0.000 0.000 0.282 237 T C 0.542 175.252 174.700 0.016 0.000 1.025 237 T CA -0.433 61.673 62.100 0.009 0.000 1.020 237 T CB 0.217 69.043 68.868 -0.069 0.000 1.317 237 T HN 0.326 nan 8.240 nan 0.000 0.538 238 D N -0.716 119.688 120.400 0.006 0.000 2.363 238 D HA -0.015 4.626 4.640 0.000 0.000 0.220 238 D C 0.374 176.668 176.300 -0.010 0.000 0.994 238 D CA 0.197 54.201 54.000 0.007 0.000 0.890 238 D CB -0.084 40.719 40.800 0.006 0.000 0.906 238 D HN 0.325 nan 8.370 nan 0.000 0.530 239 R N 1.174 121.649 120.500 -0.041 0.000 2.265 239 R HA 0.233 4.573 4.340 0.000 0.000 0.319 239 R C -1.861 174.396 176.300 -0.071 0.000 1.006 239 R CA -1.779 54.288 56.100 -0.055 0.000 0.880 239 R CB 0.832 31.085 30.300 -0.078 0.000 1.077 239 R HN 0.015 nan 8.270 nan 0.000 0.454 240 P HA -0.128 nan 4.420 nan 0.000 0.231 240 P C 0.104 177.402 177.300 -0.004 0.000 1.158 240 P CA 1.149 64.259 63.100 0.017 0.000 0.763 240 P CB 0.261 31.986 31.700 0.041 0.000 0.805 241 D N -2.000 118.331 120.400 -0.115 0.000 2.398 241 D HA 0.052 4.693 4.640 0.000 0.000 0.210 241 D C 0.605 176.607 176.300 -0.497 0.000 1.094 241 D CA -0.195 53.720 54.000 -0.142 0.000 0.839 241 D CB 0.463 41.239 40.800 -0.039 0.000 0.963 241 D HN 0.124 nan 8.370 nan 0.000 0.506 242 R N 0.634 120.695 120.500 -0.731 0.000 2.534 242 R HA 0.330 4.671 4.340 0.000 0.000 0.301 242 R C -1.061 174.614 176.300 -1.041 0.000 0.961 242 R CA -0.432 55.196 56.100 -0.786 0.000 0.871 242 R CB 1.313 31.398 30.300 -0.359 0.000 1.170 242 R HN 0.038 nan 8.270 nan 0.000 0.446 243 H N 0.858 119.559 119.070 -0.616 0.000 2.946 243 H HA 0.351 4.907 4.556 0.000 0.000 0.365 243 H C -0.624 174.171 175.328 -0.887 0.000 1.197 243 H CA -0.831 54.731 56.048 -0.810 0.000 1.131 243 H CB 2.107 31.278 29.762 -0.985 0.000 1.849 243 H HN 0.689 nan 8.280 nan 0.000 0.555 244 T N -0.607 113.626 114.554 -0.535 0.000 2.912 244 T HA 0.624 4.974 4.350 0.000 0.000 0.288 244 T C -0.566 174.023 174.700 -0.185 0.000 1.030 244 T CA -0.909 61.011 62.100 -0.301 0.000 1.020 244 T CB 1.823 70.657 68.868 -0.056 0.000 1.056 244 T HN 0.351 nan 8.240 nan 0.000 0.480 245 L N 1.786 122.978 121.223 -0.051 0.000 2.464 245 L HA 0.788 5.128 4.340 0.000 0.000 0.266 245 L C -2.094 174.711 176.870 -0.108 0.000 0.965 245 L CA -0.734 54.179 54.840 0.122 0.000 0.833 245 L CB 1.635 43.901 42.059 0.345 0.000 1.296 245 L HN 0.808 nan 8.230 nan 0.000 0.405 246 F N 4.175 124.217 119.950 0.154 0.000 2.520 246 F HA 0.780 5.307 4.527 0.000 0.000 0.322 246 F C -0.439 175.469 175.800 0.180 0.000 1.103 246 F CA -0.813 57.282 58.000 0.158 0.000 0.926 246 F CB 2.361 41.486 39.000 0.209 0.000 1.154 246 F HN 0.121 nan 8.300 nan 0.000 0.453 247 V N 2.111 122.216 119.914 0.318 0.000 2.623 247 V HA 0.260 4.380 4.120 0.000 0.000 0.304 247 V C -0.372 175.947 176.094 0.374 0.000 1.054 247 V CA -1.036 61.475 62.300 0.351 0.000 0.882 247 V CB 1.728 33.703 31.823 0.253 0.000 1.002 247 V HN 0.745 nan 8.190 nan 0.000 0.424 248 E N 3.509 123.952 120.200 0.405 0.000 2.383 248 E HA 0.471 4.822 4.350 0.000 0.000 0.264 248 E C -1.386 175.485 176.600 0.452 0.000 1.050 248 E CA -0.223 56.379 56.400 0.336 0.000 0.896 248 E CB 0.928 30.800 29.700 0.288 0.000 0.982 248 E HN 0.691 nan 8.360 nan 0.000 0.424 249 Y N 0.345 120.820 120.300 0.291 0.000 2.581 249 Y HA 0.441 4.991 4.550 0.000 0.000 0.337 249 Y C -1.505 174.521 175.900 0.210 0.000 1.108 249 Y CA -1.493 56.782 58.100 0.290 0.000 1.033 249 Y CB 1.233 39.935 38.460 0.403 0.000 1.318 249 Y HN 0.237 nan 8.280 nan 0.000 0.459 250 D N 3.866 124.468 120.400 0.337 0.000 2.329 250 D HA 0.417 5.057 4.640 0.000 0.000 0.232 250 D C -2.071 174.352 176.300 0.206 0.000 1.088 250 D CA -2.552 51.552 54.000 0.174 0.000 0.835 250 D CB 2.174 43.066 40.800 0.154 0.000 1.078 250 D HN 0.383 nan 8.370 nan 0.000 0.495 251 P HA 0.006 nan 4.420 nan 0.000 0.222 251 P C 0.535 177.867 177.300 0.053 0.000 1.153 251 P CA 0.494 63.633 63.100 0.064 0.000 0.798 251 P CB 0.569 32.194 31.700 -0.126 0.000 0.796 252 D N -0.300 120.126 120.400 0.043 0.000 2.269 252 D HA -0.133 4.507 4.640 0.000 0.000 0.208 252 D C 1.631 177.966 176.300 0.058 0.000 0.963 252 D CA 0.969 54.999 54.000 0.050 0.000 0.864 252 D CB -0.238 40.593 40.800 0.053 0.000 0.936 252 D HN 0.224 nan 8.370 nan 0.000 0.505 253 E N -0.355 119.889 120.200 0.074 0.000 2.479 253 E HA 0.153 4.503 4.350 0.000 0.000 0.193 253 E C 1.151 177.792 176.600 0.067 0.000 1.049 253 E CA 0.561 57.003 56.400 0.071 0.000 0.870 253 E CB -0.013 29.738 29.700 0.086 0.000 0.944 253 E HN 0.192 nan 8.360 nan 0.000 0.492 254 G N 0.298 109.141 108.800 0.071 0.000 2.179 254 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 254 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 254 G C -0.185 174.751 174.900 0.060 0.000 0.990 254 G CA 0.038 45.172 45.100 0.055 0.000 0.646 254 G HN 0.347 nan 8.290 nan 0.000 0.517 255 E N 0.907 121.169 120.200 0.103 0.000 2.331 255 E HA 0.637 4.987 4.350 0.000 0.000 0.272 255 E C 0.415 177.058 176.600 0.072 0.000 1.036 255 E CA -0.263 56.193 56.400 0.093 0.000 0.864 255 E CB 0.861 30.677 29.700 0.193 0.000 1.035 255 E HN 0.197 nan 8.360 nan 0.000 0.408 256 R N 2.364 122.817 120.500 -0.077 0.000 2.867 256 R HA 0.243 4.583 4.340 0.000 0.000 0.268 256 R C -2.075 174.092 176.300 -0.222 0.000 1.014 256 R CA -2.108 53.922 56.100 -0.117 0.000 0.946 256 R CB 0.828 31.122 30.300 -0.010 0.000 1.208 256 R HN 0.271 nan 8.270 nan 0.000 0.477 257 P HA -0.148 nan 4.420 nan 0.000 0.218 257 P C 0.642 177.986 177.300 0.074 0.000 1.148 257 P CA 1.214 64.276 63.100 -0.064 0.000 0.822 257 P CB 0.357 32.071 31.700 0.022 0.000 0.784 258 E N 0.757 120.977 120.200 0.033 0.000 2.171 258 E HA -0.216 4.134 4.350 0.000 0.000 0.197 258 E C 1.123 177.732 176.600 0.014 0.000 0.997 258 E CA 1.592 58.009 56.400 0.029 0.000 0.810 258 E CB -1.357 28.351 29.700 0.014 0.000 0.738 258 E HN 0.531 nan 8.360 nan 0.000 0.467 259 D N -0.425 119.962 120.400 -0.023 0.000 2.340 259 D HA -0.083 4.557 4.640 0.000 0.000 0.220 259 D C -0.006 176.157 176.300 -0.228 0.000 1.039 259 D CA -0.194 53.733 54.000 -0.122 0.000 0.866 259 D CB -0.737 39.967 40.800 -0.160 0.000 0.913 259 D HN 0.054 nan 8.370 nan 0.000 0.523 260 F N 2.342 122.223 119.950 -0.114 0.000 2.626 260 F HA 0.210 4.737 4.527 0.000 0.000 0.353 260 F C 1.005 176.762 175.800 -0.073 0.000 1.230 260 F CA -0.635 57.306 58.000 -0.098 0.000 1.298 260 F CB -0.520 38.419 39.000 -0.102 0.000 1.670 260 F HN -0.178 nan 8.300 nan 0.000 0.633 261 T N -1.219 113.346 114.554 0.019 0.000 2.813 261 T HA 0.103 4.453 4.350 0.000 0.000 0.297 261 T C -1.561 173.143 174.700 0.007 0.000 1.036 261 T CA -1.586 60.516 62.100 0.004 0.000 1.044 261 T CB 0.927 69.775 68.868 -0.033 0.000 0.993 261 T HN 0.064 nan 8.240 nan 0.000 0.535 262 P HA -0.168 nan 4.420 nan 0.000 0.217 262 P C 1.863 179.144 177.300 -0.033 0.000 1.148 262 P CA 1.156 64.250 63.100 -0.010 0.000 0.834 262 P CB 0.025 31.720 31.700 -0.009 0.000 0.783 263 Q N -0.848 118.928 119.800 -0.041 0.000 1.942 263 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 263 Q C 2.325 178.276 176.000 -0.082 0.000 0.987 263 Q CA 1.452 57.219 55.803 -0.059 0.000 0.844 263 Q CB -1.009 27.694 28.738 -0.059 0.000 0.911 263 Q HN 0.075 nan 8.270 nan 0.000 0.423 264 R N 0.726 121.168 120.500 -0.098 0.000 2.119 264 R HA -0.142 4.198 4.340 0.000 0.000 0.246 264 R C 2.391 178.624 176.300 -0.111 0.000 1.146 264 R CA 1.829 57.843 56.100 -0.142 0.000 0.962 264 R CB -1.106 29.051 30.300 -0.237 0.000 0.863 264 R HN 0.338 nan 8.270 nan 0.000 0.442 265 C N -1.299 117.972 119.300 -0.047 0.000 2.413 265 C HA -0.081 4.379 4.460 0.000 0.000 0.278 265 C C 2.660 177.560 174.990 -0.151 0.000 1.224 265 C CA 1.095 60.084 59.018 -0.047 0.000 1.732 265 C CB -0.896 26.838 27.740 -0.011 0.000 2.050 265 C HN 0.375 nan 8.230 nan 0.000 0.463 266 V N 0.855 120.684 119.914 -0.141 0.000 2.392 266 V HA -0.238 3.882 4.120 0.000 0.000 0.249 266 V C 2.339 178.323 176.094 -0.183 0.000 1.059 266 V CA 2.428 64.622 62.300 -0.177 0.000 1.051 266 V CB -0.805 30.946 31.823 -0.120 0.000 0.658 266 V HN 0.678 nan 8.190 nan 0.000 0.455 267 E N 0.453 120.562 120.200 -0.152 0.000 2.028 267 E HA -0.211 4.139 4.350 0.000 0.000 0.191 267 E C 2.130 178.611 176.600 -0.198 0.000 0.988 267 E CA 1.534 57.846 56.400 -0.147 0.000 0.799 267 E CB -0.313 29.313 29.700 -0.123 0.000 0.755 267 E HN 0.549 nan 8.360 nan 0.000 0.447 268 L N 0.527 121.598 121.223 -0.253 0.000 2.042 268 L HA -0.194 4.146 4.340 0.000 0.000 0.210 268 L C 2.614 179.248 176.870 -0.393 0.000 1.076 268 L CA 1.188 55.779 54.840 -0.415 0.000 0.749 268 L CB -0.429 41.346 42.059 -0.473 0.000 0.893 268 L HN 0.270 nan 8.230 nan 0.000 0.432 269 I N -0.249 120.117 120.570 -0.339 0.000 2.286 269 I HA -0.228 3.942 4.170 0.000 0.000 0.248 269 I C 2.572 178.518 176.117 -0.286 0.000 1.115 269 I CA 1.430 62.504 61.300 -0.376 0.000 1.392 269 I CB -0.737 36.883 38.000 -0.634 0.000 1.065 269 I HN 0.304 nan 8.210 nan 0.000 0.418 270 G N 0.825 109.487 108.800 -0.231 0.000 2.418 270 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 270 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 270 G C 1.664 176.484 174.900 -0.132 0.000 1.158 270 G CA 0.461 45.465 45.100 -0.160 0.000 0.771 270 G HN 0.278 nan 8.290 nan 0.000 0.545 271 L N 0.570 121.706 121.223 -0.144 0.000 2.072 271 L HA 0.034 4.374 4.340 0.000 0.000 0.205 271 L C 3.369 180.168 176.870 -0.118 0.000 1.079 271 L CA 0.929 55.699 54.840 -0.116 0.000 0.752 271 L CB -0.470 41.493 42.059 -0.160 0.000 0.906 271 L HN 0.280 nan 8.230 nan 0.000 0.436 272 A N 0.056 122.820 122.820 -0.094 0.000 1.972 272 A HA -0.103 4.217 4.320 0.000 0.000 0.219 272 A C 2.175 179.633 177.584 -0.210 0.000 1.169 272 A CA 1.393 53.416 52.037 -0.023 0.000 0.635 272 A CB -0.475 18.536 19.000 0.018 0.000 0.810 272 A HN 0.406 nan 8.150 nan 0.000 0.446 273 L N -1.609 119.470 121.223 -0.239 0.000 2.554 273 L HA 0.060 4.400 4.340 0.000 0.000 0.225 273 L C 0.471 177.236 176.870 -0.175 0.000 1.104 273 L CA 0.340 55.009 54.840 -0.285 0.000 0.866 273 L CB -0.063 41.832 42.059 -0.273 0.000 1.047 273 L HN 0.333 nan 8.230 nan 0.000 0.468 274 D N 1.378 121.716 120.400 -0.105 0.000 2.708 274 D HA -0.194 4.446 4.640 0.000 0.000 0.236 274 D C -0.216 176.046 176.300 -0.064 0.000 1.146 274 D CA 0.904 54.873 54.000 -0.052 0.000 0.662 274 D CB -0.445 40.338 40.800 -0.028 0.000 1.059 274 D HN 0.372 nan 8.370 nan 0.000 0.428 275 A N 0.329 123.102 122.820 -0.078 0.000 2.442 275 A HA 0.617 4.937 4.320 0.000 0.000 0.284 275 A C -2.347 175.198 177.584 -0.065 0.000 1.058 275 A CA -1.011 50.987 52.037 -0.066 0.000 0.738 275 A CB 1.860 20.815 19.000 -0.075 0.000 1.242 275 A HN 0.000 nan 8.150 nan 0.000 0.421 276 P HA 0.138 nan 4.420 nan 0.000 0.262 276 P C 0.659 177.936 177.300 -0.038 0.000 1.304 276 P CA 0.284 63.355 63.100 -0.047 0.000 0.859 276 P CB 0.490 32.167 31.700 -0.037 0.000 1.310 277 E N 0.706 120.887 120.200 -0.033 0.000 2.516 277 E HA -0.016 4.334 4.350 0.000 0.000 0.199 277 E C 0.294 176.882 176.600 -0.020 0.000 1.069 277 E CA -0.007 56.380 56.400 -0.022 0.000 0.876 277 E CB -0.162 29.529 29.700 -0.016 0.000 0.843 277 E HN 0.060 nan 8.360 nan 0.000 0.530 278 V N 0.107 120.001 119.914 -0.034 0.000 2.455 278 V HA 0.267 4.387 4.120 0.000 0.000 0.273 278 V C -0.570 175.504 176.094 -0.033 0.000 1.045 278 V CA -0.643 61.639 62.300 -0.031 0.000 0.976 278 V CB 1.030 32.816 31.823 -0.062 0.000 0.993 278 V HN 0.033 nan 8.190 nan 0.000 0.475 279 K N 6.490 126.886 120.400 -0.007 0.000 2.473 279 K HA 0.548 4.868 4.320 0.000 0.000 0.246 279 K C -2.721 173.890 176.600 0.020 0.000 1.011 279 K CA -1.431 54.851 56.287 -0.007 0.000 0.984 279 K CB 1.315 33.815 32.500 0.001 0.000 1.250 279 K HN 0.594 nan 8.250 nan 0.000 0.454 280 P HA 0.187 nan 4.420 nan 0.000 0.278 280 P C -0.777 176.565 177.300 0.070 0.000 1.258 280 P CA -0.494 62.644 63.100 0.063 0.000 0.811 280 P CB 0.863 32.516 31.700 -0.078 0.000 1.063 281 E N 1.251 121.528 120.200 0.127 0.000 2.165 281 E HA 0.343 4.693 4.350 0.000 0.000 0.266 281 E C -0.451 176.223 176.600 0.123 0.000 0.889 281 E CA -0.601 55.853 56.400 0.090 0.000 0.756 281 E CB 1.385 31.128 29.700 0.071 0.000 1.131 281 E HN 0.387 nan 8.360 nan 0.000 0.411 282 L N 2.788 124.061 121.223 0.084 0.000 2.281 282 L HA 0.194 4.534 4.340 0.000 0.000 0.285 282 L C 1.423 178.328 176.870 0.060 0.000 1.074 282 L CA -0.410 54.482 54.840 0.088 0.000 0.817 282 L CB 0.777 42.863 42.059 0.044 0.000 1.168 282 L HN 0.315 nan 8.230 nan 0.000 0.434 283 V N 1.204 121.146 119.914 0.047 0.000 2.374 283 V HA 0.021 4.142 4.120 0.000 0.000 0.241 283 V C 0.165 176.268 176.094 0.014 0.000 1.034 283 V CA 1.271 63.587 62.300 0.026 0.000 1.037 283 V CB -0.044 31.775 31.823 -0.007 0.000 0.682 283 V HN 0.867 nan 8.190 nan 0.000 0.463 284 D N -1.777 118.589 120.400 -0.057 0.000 2.927 284 D HA 0.479 5.119 4.640 0.000 0.000 0.219 284 D C -1.358 174.887 176.300 -0.091 0.000 1.248 284 D CA -0.287 53.665 54.000 -0.079 0.000 0.861 284 D CB 1.668 42.323 40.800 -0.242 0.000 1.677 284 D HN 0.094 nan 8.370 nan 0.000 0.511 285 I N 3.058 123.601 120.570 -0.045 0.000 2.466 285 I HA 0.312 4.482 4.170 0.000 0.000 0.279 285 I C -0.599 175.498 176.117 -0.033 0.000 1.033 285 I CA -0.431 60.839 61.300 -0.049 0.000 1.123 285 I CB 1.537 39.533 38.000 -0.007 0.000 1.237 285 I HN 0.210 nan 8.210 nan 0.000 0.460 286 Q N 3.871 123.641 119.800 -0.050 0.000 2.356 286 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 286 Q C -0.369 175.673 176.000 0.069 0.000 1.058 286 Q CA -0.782 55.029 55.803 0.013 0.000 0.802 286 Q CB 2.582 31.325 28.738 0.009 0.000 1.303 286 Q HN 0.740 nan 8.270 nan 0.000 0.444 287 G N 1.871 110.748 108.800 0.129 0.000 2.377 287 G HA2 0.419 4.379 3.960 0.000 0.000 0.299 287 G HA3 0.419 4.379 3.960 0.000 0.000 0.299 287 G C -1.901 173.215 174.900 0.360 0.000 1.150 287 G CA -0.169 45.083 45.100 0.253 0.000 0.847 287 G HN 0.535 nan 8.290 nan 0.000 0.501 288 W N 1.973 123.396 121.300 0.204 0.000 2.957 288 W HA 0.495 5.155 4.660 0.000 0.000 0.336 288 W C -1.005 175.560 176.519 0.076 0.000 1.087 288 W CA -1.599 55.832 57.345 0.142 0.000 1.235 288 W CB 1.571 31.133 29.460 0.169 0.000 1.399 288 W HN 0.522 nan 8.180 nan 0.000 0.480 289 E N 6.113 126.510 120.200 0.327 0.000 2.081 289 E HA 0.361 4.712 4.350 0.000 0.000 0.276 289 E C -0.753 175.653 176.600 -0.322 0.000 0.950 289 E CA -0.427 55.857 56.400 -0.193 0.000 0.776 289 E CB 0.797 30.398 29.700 -0.163 0.000 1.094 289 E HN 0.515 nan 8.360 nan 0.000 0.402 290 M N 2.946 122.175 119.600 -0.618 0.000 2.250 290 M HA 0.496 4.977 4.480 0.000 0.000 0.344 290 M C -0.327 175.743 176.300 -0.383 0.000 1.150 290 M CA 0.033 54.951 55.300 -0.637 0.000 1.147 290 M CB 1.692 33.822 32.600 -0.783 0.000 1.498 290 M HN 0.672 nan 8.290 nan 0.000 0.461 291 A N 1.528 124.186 122.820 -0.270 0.000 2.564 291 A HA 0.914 5.234 4.320 0.000 0.000 0.291 291 A C -1.949 175.551 177.584 -0.139 0.000 1.102 291 A CA -0.724 51.218 52.037 -0.157 0.000 0.660 291 A CB 1.072 20.019 19.000 -0.089 0.000 1.283 291 A HN 0.856 nan 8.150 nan 0.000 0.430 292 A N 0.908 123.678 122.820 -0.084 0.000 2.340 292 A HA 0.774 5.094 4.320 0.000 0.000 0.297 292 A C -0.437 177.101 177.584 -0.076 0.000 1.195 292 A CA -0.520 51.460 52.037 -0.094 0.000 0.769 292 A CB 0.650 19.581 19.000 -0.115 0.000 1.163 292 A HN 0.735 nan 8.150 nan 0.000 0.472 293 R N 2.406 122.842 120.500 -0.106 0.000 2.564 293 R HA 0.620 4.960 4.340 0.000 0.000 0.284 293 R C -1.592 174.584 176.300 -0.207 0.000 1.031 293 R CA -0.529 55.486 56.100 -0.141 0.000 0.904 293 R CB 2.079 32.328 30.300 -0.085 0.000 1.199 293 R HN 0.619 nan 8.270 nan 0.000 0.443 294 I N 1.878 122.223 120.570 -0.375 0.000 2.436 294 I HA 0.377 4.547 4.170 0.000 0.000 0.289 294 I C 0.338 176.329 176.117 -0.209 0.000 1.010 294 I CA -1.017 60.068 61.300 -0.359 0.000 1.098 294 I CB 2.073 39.735 38.000 -0.564 0.000 1.266 294 I HN 0.696 nan 8.210 nan 0.000 0.434 295 A N 4.872 127.640 122.820 -0.087 0.000 2.498 295 A HA 0.113 4.433 4.320 0.000 0.000 0.239 295 A C 1.006 178.781 177.584 0.317 0.000 1.068 295 A CA 0.077 52.115 52.037 0.001 0.000 0.766 295 A CB 0.102 18.954 19.000 -0.246 0.000 1.003 295 A HN 0.893 nan 8.150 nan 0.000 0.497 296 E N 0.611 121.003 120.200 0.319 0.000 2.268 296 E HA -0.069 4.281 4.350 0.000 0.000 0.195 296 E C 0.305 177.098 176.600 0.322 0.000 0.995 296 E CA 0.861 57.479 56.400 0.363 0.000 0.836 296 E CB 0.114 29.940 29.700 0.211 0.000 0.763 296 E HN 0.592 nan 8.360 nan 0.000 0.491 297 R N -1.322 119.379 120.500 0.335 0.000 2.626 297 R HA 0.163 4.503 4.340 0.000 0.000 0.274 297 R C -1.248 175.301 176.300 0.415 0.000 1.031 297 R CA -0.543 55.757 56.100 0.333 0.000 0.898 297 R CB 0.979 31.377 30.300 0.164 0.000 1.222 297 R HN 0.008 nan 8.270 nan 0.000 0.455 298 W N 1.824 123.158 121.300 0.058 0.000 2.991 298 W HA 0.370 5.030 4.660 0.000 0.000 0.391 298 W C 0.088 176.715 176.519 0.180 0.000 1.054 298 W CA -0.175 57.249 57.345 0.132 0.000 1.856 298 W CB 0.646 30.155 29.460 0.081 0.000 1.132 298 W HN 0.205 nan 8.180 nan 0.000 0.601 299 R N 0.832 121.443 120.500 0.186 0.000 2.633 299 R HA 0.175 4.515 4.340 0.000 0.000 0.255 299 R C -1.619 174.610 176.300 -0.119 0.000 1.106 299 R CA -0.269 55.754 56.100 -0.129 0.000 0.959 299 R CB 1.276 31.460 30.300 -0.194 0.000 1.259 299 R HN -0.020 nan 8.270 nan 0.000 0.453 300 E N 2.344 122.430 120.200 -0.191 0.000 2.283 300 E HA 0.327 4.677 4.350 0.000 0.000 0.258 300 E C 0.223 176.733 176.600 -0.150 0.000 0.893 300 E CA 0.311 56.646 56.400 -0.109 0.000 0.798 300 E CB 1.683 31.367 29.700 -0.027 0.000 1.242 300 E HN 0.913 nan 8.360 nan 0.000 0.414 301 G N 4.135 112.857 108.800 -0.129 0.000 2.793 301 G HA2 -0.405 3.555 3.960 0.000 0.000 0.334 301 G HA3 -0.405 3.555 3.960 0.000 0.000 0.334 301 G C 0.760 175.551 174.900 -0.182 0.000 1.186 301 G CA 0.837 45.868 45.100 -0.114 0.000 0.960 301 G HN 0.578 nan 8.290 nan 0.000 0.562 302 R N -0.529 119.865 120.500 -0.177 0.000 2.565 302 R HA 0.484 4.824 4.340 0.000 0.000 0.347 302 R C -0.135 176.110 176.300 -0.092 0.000 1.010 302 R CA 0.007 56.024 56.100 -0.140 0.000 1.126 302 R CB 1.120 31.247 30.300 -0.289 0.000 1.331 302 R HN 0.312 nan 8.270 nan 0.000 0.552 303 V N 1.149 120.925 119.914 -0.229 0.000 2.539 303 V HA 0.462 4.582 4.120 0.000 0.000 0.292 303 V C -0.451 175.448 176.094 -0.325 0.000 1.045 303 V CA -0.339 61.837 62.300 -0.208 0.000 0.945 303 V CB 1.363 33.045 31.823 -0.235 0.000 0.993 303 V HN -0.026 nan 8.190 nan 0.000 0.464 304 F N 2.932 122.850 119.950 -0.054 0.000 2.588 304 F HA 0.665 5.192 4.527 0.000 0.000 0.310 304 F C -0.225 175.564 175.800 -0.019 0.000 1.082 304 F CA -0.698 57.305 58.000 0.006 0.000 0.929 304 F CB 1.852 40.807 39.000 -0.075 0.000 1.254 304 F HN 0.193 nan 8.300 nan 0.000 0.455 305 L N 2.458 123.821 121.223 0.233 0.000 2.334 305 L HA 0.924 5.264 4.340 0.000 0.000 0.275 305 L C -0.436 176.501 176.870 0.111 0.000 1.036 305 L CA -0.905 53.951 54.840 0.026 0.000 0.807 305 L CB 1.653 43.587 42.059 -0.209 0.000 1.231 305 L HN 0.732 nan 8.230 nan 0.000 0.438 306 A N 1.382 124.200 122.820 -0.004 0.000 2.520 306 A HA 0.838 5.158 4.320 0.000 0.000 0.298 306 A C -0.019 177.537 177.584 -0.047 0.000 1.051 306 A CA 0.153 52.233 52.037 0.073 0.000 0.690 306 A CB 1.562 20.618 19.000 0.094 0.000 1.281 306 A HN 1.045 nan 8.150 nan 0.000 0.402 307 G N 1.562 110.342 108.800 -0.033 0.000 2.488 307 G HA2 -0.182 3.778 3.960 0.000 0.000 0.237 307 G HA3 -0.182 3.778 3.960 0.000 0.000 0.237 307 G C 0.361 175.208 174.900 -0.088 0.000 1.209 307 G CA 0.785 45.871 45.100 -0.024 0.000 0.929 307 G HN 0.785 nan 8.290 nan 0.000 0.578 308 D N 0.765 121.131 120.400 -0.057 0.000 2.182 308 D HA 0.128 4.768 4.640 0.000 0.000 0.201 308 D C 2.744 178.977 176.300 -0.112 0.000 0.986 308 D CA 2.333 56.296 54.000 -0.062 0.000 0.847 308 D CB -0.668 40.120 40.800 -0.021 0.000 0.942 308 D HN 0.900 nan 8.370 nan 0.000 0.467 309 A N 0.652 123.396 122.820 -0.127 0.000 1.940 309 A HA -0.073 4.247 4.320 0.000 0.000 0.219 309 A C 2.238 179.663 177.584 -0.264 0.000 1.176 309 A CA 2.170 54.118 52.037 -0.148 0.000 0.631 309 A CB -0.550 18.378 19.000 -0.120 0.000 0.814 309 A HN 0.255 nan 8.150 nan 0.000 0.446 310 A N -0.999 121.558 122.820 -0.438 0.000 2.030 310 A HA 0.323 4.643 4.320 0.000 0.000 0.215 310 A C 0.860 178.070 177.584 -0.623 0.000 1.164 310 A CA 1.453 52.962 52.037 -0.880 0.000 0.697 310 A CB -0.023 17.896 19.000 -1.803 0.000 0.827 310 A HN 0.692 nan 8.150 nan 0.000 0.457 311 K N -1.797 118.404 120.400 -0.332 0.000 2.582 311 K HA 0.515 4.835 4.320 0.000 0.000 0.259 311 K C -1.770 174.780 176.600 -0.083 0.000 0.973 311 K CA -0.408 55.790 56.287 -0.148 0.000 0.880 311 K CB 0.869 33.365 32.500 -0.007 0.000 1.310 311 K HN -0.101 nan 8.250 nan 0.000 0.443 312 V N 3.026 122.898 119.914 -0.069 0.000 2.398 312 V HA 0.614 4.734 4.120 0.000 0.000 0.286 312 V C -0.250 175.817 176.094 -0.046 0.000 1.026 312 V CA -0.308 61.976 62.300 -0.027 0.000 0.868 312 V CB 1.560 33.379 31.823 -0.008 0.000 0.982 312 V HN 0.933 nan 8.190 nan 0.000 0.443 313 T N 6.231 120.767 114.554 -0.030 0.000 2.950 313 T HA 0.609 4.959 4.350 0.000 0.000 0.288 313 T C -2.766 171.871 174.700 -0.104 0.000 1.035 313 T CA -2.138 59.919 62.100 -0.073 0.000 1.028 313 T CB 2.057 70.895 68.868 -0.049 0.000 1.109 313 T HN 0.410 nan 8.240 nan 0.000 0.514 314 P HA 0.241 nan 4.420 nan 0.000 0.271 314 P C -1.971 175.233 177.300 -0.159 0.000 1.218 314 P CA -1.327 61.618 63.100 -0.259 0.000 0.780 314 P CB 0.345 31.838 31.700 -0.345 0.000 0.901 315 P HA -0.066 nan 4.420 nan 0.000 0.233 315 P C -0.007 177.269 177.300 -0.040 0.000 1.167 315 P CA 0.825 63.879 63.100 -0.076 0.000 0.770 315 P CB -0.584 31.039 31.700 -0.129 0.000 0.837 316 T N -1.431 113.108 114.554 -0.025 0.000 2.792 316 T HA 0.344 4.695 4.350 0.000 0.000 0.286 316 T C 1.279 176.030 174.700 0.084 0.000 0.970 316 T CA 0.455 62.604 62.100 0.081 0.000 1.187 316 T CB -0.600 68.341 68.868 0.121 0.000 0.915 316 T HN 0.349 nan 8.240 nan 0.000 0.529 317 G N 2.286 111.148 108.800 0.104 0.000 2.148 317 G HA2 0.208 4.168 3.960 0.000 0.000 0.203 317 G HA3 0.208 4.168 3.960 0.000 0.000 0.203 317 G C 0.753 175.787 174.900 0.224 0.000 0.993 317 G CA -0.006 45.187 45.100 0.155 0.000 0.661 317 G HN 2.188 nan 8.290 nan 0.000 0.518 318 G N -0.423 108.426 108.800 0.083 0.000 2.386 318 G HA2 -0.124 3.837 3.960 0.000 0.000 0.295 318 G HA3 -0.124 3.837 3.960 0.000 0.000 0.295 318 G C 0.765 175.738 174.900 0.123 0.000 0.979 318 G CA 1.206 46.347 45.100 0.068 0.000 1.193 318 G HN 1.108 nan 8.290 nan 0.000 0.508 319 M N -0.286 119.365 119.600 0.084 0.000 2.292 319 M HA 0.100 4.580 4.480 0.000 0.000 0.286 319 M C 2.368 178.685 176.300 0.028 0.000 1.002 319 M CA 0.566 55.894 55.300 0.047 0.000 1.029 319 M CB 0.326 32.947 32.600 0.035 0.000 1.537 319 M HN 0.243 nan 8.290 nan 0.000 0.543 320 S N 1.447 117.173 115.700 0.044 0.000 2.377 320 S HA -0.159 4.311 4.470 0.000 0.000 0.224 320 S C 1.986 176.611 174.600 0.041 0.000 1.042 320 S CA 2.102 60.334 58.200 0.053 0.000 1.086 320 S CB -0.853 62.405 63.200 0.097 0.000 0.995 320 S HN 0.684 nan 8.310 nan 0.000 0.428 321 G N 2.431 111.254 108.800 0.039 0.000 2.414 321 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 321 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 321 G C 1.240 176.155 174.900 0.025 0.000 1.188 321 G CA 0.604 45.724 45.100 0.034 0.000 0.783 321 G HN 0.464 nan 8.290 nan 0.000 0.537 322 N N 1.297 120.000 118.700 0.006 0.000 2.192 322 N HA -0.168 4.572 4.740 0.000 0.000 0.188 322 N C 2.410 177.909 175.510 -0.018 0.000 1.013 322 N CA 1.267 54.302 53.050 -0.025 0.000 0.863 322 N CB -0.157 38.285 38.487 -0.075 0.000 0.990 322 N HN 0.363 nan 8.380 nan 0.000 0.430 323 A N 1.064 123.882 122.820 -0.003 0.000 1.898 323 A HA 0.187 4.508 4.320 0.000 0.000 0.214 323 A C 2.433 180.049 177.584 0.053 0.000 1.183 323 A CA 1.287 53.329 52.037 0.008 0.000 0.622 323 A CB -0.532 18.478 19.000 0.015 0.000 0.824 323 A HN 0.292 nan 8.150 nan 0.000 0.444 324 A N -0.286 122.569 122.820 0.058 0.000 1.883 324 A HA -0.055 4.265 4.320 0.000 0.000 0.217 324 A C 2.213 179.862 177.584 0.109 0.000 1.186 324 A CA 1.878 53.961 52.037 0.077 0.000 0.624 324 A CB -1.109 17.923 19.000 0.053 0.000 0.822 324 A HN 0.388 nan 8.150 nan 0.000 0.444 325 V N -0.182 119.794 119.914 0.105 0.000 2.324 325 V HA -0.309 3.811 4.120 0.000 0.000 0.250 325 V C 3.042 179.255 176.094 0.198 0.000 1.060 325 V CA 2.224 64.623 62.300 0.165 0.000 1.042 325 V CB -1.177 30.730 31.823 0.139 0.000 0.650 325 V HN 0.649 nan 8.190 nan 0.000 0.450 326 A N -0.543 122.347 122.820 0.117 0.000 1.897 326 A HA -0.204 4.116 4.320 0.000 0.000 0.215 326 A C 1.995 179.687 177.584 0.181 0.000 1.181 326 A CA 1.711 53.809 52.037 0.101 0.000 0.620 326 A CB -0.600 18.394 19.000 -0.010 0.000 0.821 326 A HN 0.528 nan 8.150 nan 0.000 0.443 327 D N 0.037 120.550 120.400 0.189 0.000 2.133 327 D HA -0.125 4.515 4.640 0.000 0.000 0.195 327 D C 2.056 178.517 176.300 0.267 0.000 0.997 327 D CA 1.581 55.763 54.000 0.303 0.000 0.840 327 D CB -0.758 40.242 40.800 0.334 0.000 0.947 327 D HN 0.428 nan 8.370 nan 0.000 0.452 328 G N 0.075 108.993 108.800 0.196 0.000 2.459 328 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 328 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 328 G C 1.575 176.550 174.900 0.125 0.000 1.183 328 G CA 0.519 45.709 45.100 0.150 0.000 0.776 328 G HN 0.278 nan 8.290 nan 0.000 0.552 329 F N 1.531 121.475 119.950 -0.011 0.000 2.120 329 F HA -0.146 4.381 4.527 0.000 0.000 0.300 329 F C 2.266 178.041 175.800 -0.041 0.000 1.095 329 F CA 2.242 60.073 58.000 -0.283 0.000 1.249 329 F CB -0.134 38.597 39.000 -0.449 0.000 0.995 329 F HN 0.284 nan 8.300 nan 0.000 0.480 330 D N -0.252 120.317 120.400 0.282 0.000 2.097 330 D HA -0.188 4.452 4.640 0.000 0.000 0.197 330 D C 2.145 178.296 176.300 -0.248 0.000 0.984 330 D CA 1.141 55.254 54.000 0.188 0.000 0.826 330 D CB -0.255 40.694 40.800 0.247 0.000 0.973 330 D HN 0.211 nan 8.370 nan 0.000 0.460 331 L N 0.787 121.854 121.223 -0.260 0.000 1.990 331 L HA -0.094 4.246 4.340 0.000 0.000 0.213 331 L C 2.256 178.781 176.870 -0.576 0.000 1.072 331 L CA 2.238 56.675 54.840 -0.670 0.000 0.755 331 L CB -1.275 40.309 42.059 -0.791 0.000 0.889 331 L HN 0.139 nan 8.230 nan 0.000 0.432 332 A N -0.020 122.573 122.820 -0.378 0.000 1.873 332 A HA -0.280 4.040 4.320 0.000 0.000 0.218 332 A C 2.212 179.627 177.584 -0.281 0.000 1.193 332 A CA 2.395 54.255 52.037 -0.294 0.000 0.629 332 A CB -1.442 17.474 19.000 -0.141 0.000 0.826 332 A HN 0.800 nan 8.150 nan 0.000 0.447 333 W N 0.358 121.420 121.300 -0.398 0.000 2.418 333 W HA -0.069 4.591 4.660 0.000 0.000 0.292 333 W C 1.510 177.919 176.519 -0.184 0.000 1.213 333 W CA 1.186 58.345 57.345 -0.310 0.000 1.283 333 W CB -0.630 28.598 29.460 -0.387 0.000 1.119 333 W HN 0.277 nan 8.180 nan 0.000 0.542 334 K N 1.160 120.932 120.400 -1.048 0.000 2.026 334 K HA -0.133 4.187 4.320 0.000 0.000 0.208 334 K C 2.354 178.655 176.600 -0.499 0.000 1.048 334 K CA 1.921 57.674 56.287 -0.890 0.000 0.929 334 K CB -0.646 31.265 32.500 -0.982 0.000 0.713 334 K HN 0.152 nan 8.250 nan 0.000 0.439 335 L N 0.776 121.671 121.223 -0.546 0.000 2.042 335 L HA -0.253 4.087 4.340 0.000 0.000 0.210 335 L C 2.627 179.306 176.870 -0.318 0.000 1.076 335 L CA 1.250 55.776 54.840 -0.524 0.000 0.749 335 L CB -0.582 41.086 42.059 -0.651 0.000 0.893 335 L HN 0.276 nan 8.230 nan 0.000 0.432 336 A N -0.220 122.473 122.820 -0.210 0.000 1.877 336 A HA -0.190 4.130 4.320 0.000 0.000 0.216 336 A C 2.518 180.087 177.584 -0.024 0.000 1.186 336 A CA 1.765 53.752 52.037 -0.085 0.000 0.620 336 A CB -0.778 18.205 19.000 -0.027 0.000 0.822 336 A HN 0.421 nan 8.150 nan 0.000 0.443 337 A N -0.558 122.271 122.820 0.015 0.000 1.908 337 A HA -0.038 4.282 4.320 0.000 0.000 0.218 337 A C 2.223 179.821 177.584 0.024 0.000 1.181 337 A CA 1.956 54.039 52.037 0.077 0.000 0.627 337 A CB -0.981 18.128 19.000 0.182 0.000 0.818 337 A HN 0.450 nan 8.150 nan 0.000 0.445 338 V N -0.183 119.710 119.914 -0.035 0.000 2.427 338 V HA -0.205 3.916 4.120 0.000 0.000 0.248 338 V C 2.471 178.576 176.094 0.019 0.000 1.051 338 V CA 1.737 64.030 62.300 -0.012 0.000 1.048 338 V CB -0.700 31.099 31.823 -0.041 0.000 0.666 338 V HN 0.544 nan 8.190 nan 0.000 0.456 339 L N -0.669 120.547 121.223 -0.013 0.000 2.217 339 L HA -0.139 4.201 4.340 0.000 0.000 0.211 339 L C 2.404 179.301 176.870 0.045 0.000 1.107 339 L CA 1.281 56.144 54.840 0.038 0.000 0.783 339 L CB -0.280 41.785 42.059 0.009 0.000 0.919 339 L HN 0.359 nan 8.230 nan 0.000 0.442 340 Q N -0.718 119.101 119.800 0.031 0.000 2.360 340 Q HA 0.121 4.461 4.340 0.000 0.000 0.202 340 Q C 1.240 177.261 176.000 0.036 0.000 0.915 340 Q CA 0.548 56.373 55.803 0.036 0.000 0.943 340 Q CB 0.673 29.434 28.738 0.038 0.000 1.064 340 Q HN 0.515 nan 8.270 nan 0.000 0.511 341 G N 0.630 109.452 108.800 0.037 0.000 2.141 341 G HA2 -0.301 3.659 3.960 0.000 0.000 0.231 341 G HA3 -0.301 3.659 3.960 0.000 0.000 0.231 341 G C 0.588 175.503 174.900 0.024 0.000 0.984 341 G CA 0.271 45.389 45.100 0.031 0.000 0.660 341 G HN 0.358 nan 8.290 nan 0.000 0.525 342 Q N -0.538 119.282 119.800 0.033 0.000 2.302 342 Q HA 0.532 4.872 4.340 0.000 0.000 0.202 342 Q C 1.256 177.272 176.000 0.027 0.000 0.936 342 Q CA 1.140 56.962 55.803 0.032 0.000 0.886 342 Q CB 0.439 29.218 28.738 0.069 0.000 0.986 342 Q HN 0.963 nan 8.270 nan 0.000 0.487 343 A N -0.188 122.653 122.820 0.036 0.000 2.475 343 A HA 0.699 5.019 4.320 0.000 0.000 0.301 343 A C -0.187 177.413 177.584 0.026 0.000 1.059 343 A CA -0.398 51.657 52.037 0.032 0.000 0.710 343 A CB 1.275 20.305 19.000 0.050 0.000 1.288 343 A HN 0.180 nan 8.150 nan 0.000 0.408 344 G N -0.596 108.218 108.800 0.023 0.000 2.599 344 G HA2 0.521 4.481 3.960 0.000 0.000 0.264 344 G HA3 0.521 4.481 3.960 0.000 0.000 0.264 344 G C 1.034 175.956 174.900 0.037 0.000 1.200 344 G CA 0.210 45.328 45.100 0.029 0.000 0.896 344 G HN 1.616 nan 8.290 nan 0.000 0.536 345 A N -0.141 122.710 122.820 0.052 0.000 2.121 345 A HA 0.107 4.427 4.320 0.000 0.000 0.218 345 A C 2.525 180.145 177.584 0.059 0.000 1.154 345 A CA 1.919 53.999 52.037 0.073 0.000 0.679 345 A CB -0.716 18.338 19.000 0.089 0.000 0.795 345 A HN 1.049 nan 8.150 nan 0.000 0.458 346 G N 0.079 108.904 108.800 0.041 0.000 2.475 346 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 346 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 346 G C 1.411 176.328 174.900 0.028 0.000 1.125 346 G CA 1.248 46.368 45.100 0.034 0.000 0.755 346 G HN 0.531 nan 8.290 nan 0.000 0.565 347 L N 0.563 121.796 121.223 0.017 0.000 2.093 347 L HA 0.119 4.459 4.340 0.000 0.000 0.208 347 L C 2.566 179.413 176.870 -0.039 0.000 1.085 347 L CA 1.189 56.020 54.840 -0.014 0.000 0.755 347 L CB -0.319 41.721 42.059 -0.031 0.000 0.904 347 L HN 0.210 nan 8.230 nan 0.000 0.435 348 L N -0.591 120.635 121.223 0.004 0.000 2.349 348 L HA -0.194 4.146 4.340 0.000 0.000 0.220 348 L C 1.835 178.803 176.870 0.163 0.000 1.130 348 L CA 0.913 55.802 54.840 0.082 0.000 0.791 348 L CB -0.933 41.256 42.059 0.217 0.000 0.918 348 L HN 0.344 nan 8.230 nan 0.000 0.444 349 D N -0.428 120.027 120.400 0.090 0.000 2.224 349 D HA -0.122 4.518 4.640 0.000 0.000 0.205 349 D C 2.264 178.580 176.300 0.026 0.000 0.965 349 D CA 1.776 55.820 54.000 0.073 0.000 0.852 349 D CB -0.026 40.795 40.800 0.035 0.000 0.947 349 D HN 0.412 nan 8.370 nan 0.000 0.494 350 T N -1.327 113.221 114.554 -0.009 0.000 2.881 350 T HA -0.240 4.110 4.350 0.000 0.000 0.270 350 T C 2.035 176.660 174.700 -0.125 0.000 1.068 350 T CA 0.633 62.685 62.100 -0.079 0.000 1.131 350 T CB -0.656 68.167 68.868 -0.075 0.000 0.871 350 T HN 0.119 nan 8.240 nan 0.000 0.479 351 Y N 2.195 122.394 120.300 -0.169 0.000 2.114 351 Y HA -0.162 4.388 4.550 0.000 0.000 0.282 351 Y C 2.452 178.227 175.900 -0.209 0.000 1.165 351 Y CA 2.026 60.018 58.100 -0.180 0.000 1.148 351 Y CB -0.552 37.860 38.460 -0.080 0.000 0.972 351 Y HN 0.410 nan 8.280 nan 0.000 0.504 352 E N -0.279 119.780 120.200 -0.235 0.000 2.017 352 E HA -0.228 4.122 4.350 0.000 0.000 0.193 352 E C 1.847 178.115 176.600 -0.553 0.000 0.997 352 E CA 1.541 57.661 56.400 -0.467 0.000 0.804 352 E CB -0.200 29.414 29.700 -0.142 0.000 0.757 352 E HN 0.507 nan 8.360 nan 0.000 0.448 353 D N 0.425 120.627 120.400 -0.329 0.000 2.133 353 D HA -0.190 4.450 4.640 0.000 0.000 0.195 353 D C 1.793 177.876 176.300 -0.361 0.000 0.997 353 D CA 1.304 55.134 54.000 -0.282 0.000 0.840 353 D CB -0.165 40.531 40.800 -0.172 0.000 0.947 353 D HN 0.383 nan 8.370 nan 0.000 0.452 354 E N -0.243 119.668 120.200 -0.481 0.000 2.042 354 E HA 0.002 4.352 4.350 0.000 0.000 0.189 354 E C 2.160 178.375 176.600 -0.641 0.000 0.974 354 E CA 0.316 56.321 56.400 -0.658 0.000 0.806 354 E CB 0.236 29.254 29.700 -1.137 0.000 0.769 354 E HN -0.004 nan 8.360 nan 0.000 0.451 355 R N 1.127 121.151 120.500 -0.793 0.000 2.153 355 R HA -0.030 4.310 4.340 0.000 0.000 0.218 355 R C 2.043 177.678 176.300 -1.108 0.000 1.072 355 R CA 0.788 56.400 56.100 -0.813 0.000 0.990 355 R CB -0.323 29.460 30.300 -0.863 0.000 0.889 355 R HN 0.059 nan 8.270 nan 0.000 0.452 356 K N 0.636 120.206 120.400 -1.383 0.000 2.097 356 K HA -0.055 4.265 4.320 0.000 0.000 0.205 356 K C 1.825 178.180 176.600 -0.409 0.000 1.050 356 K CA 1.037 56.653 56.287 -1.119 0.000 0.938 356 K CB -0.013 31.906 32.500 -0.967 0.000 0.718 356 K HN -0.110 nan 8.250 nan 0.000 0.442 357 V N 1.220 120.940 119.914 -0.324 0.000 2.270 357 V HA -0.232 3.888 4.120 0.000 0.000 0.245 357 V C 2.413 178.442 176.094 -0.109 0.000 1.043 357 V CA 1.964 64.179 62.300 -0.141 0.000 1.014 357 V CB -0.884 30.884 31.823 -0.093 0.000 0.645 357 V HN 0.546 nan 8.190 nan 0.000 0.447 358 A N 0.092 122.824 122.820 -0.147 0.000 1.927 358 A HA -0.274 4.046 4.320 0.000 0.000 0.220 358 A C 2.412 179.945 177.584 -0.086 0.000 1.185 358 A CA 2.611 54.566 52.037 -0.136 0.000 0.639 358 A CB -0.905 17.981 19.000 -0.190 0.000 0.820 358 A HN 0.635 nan 8.150 nan 0.000 0.451 359 A N -0.534 122.252 122.820 -0.056 0.000 1.902 359 A HA -0.194 4.126 4.320 0.000 0.000 0.217 359 A C 1.932 179.530 177.584 0.024 0.000 1.181 359 A CA 1.718 53.793 52.037 0.063 0.000 0.623 359 A CB -0.575 18.595 19.000 0.282 0.000 0.818 359 A HN 0.659 nan 8.150 nan 0.000 0.443 360 E N -0.193 120.018 120.200 0.018 0.000 2.058 360 E HA -0.183 4.167 4.350 0.000 0.000 0.194 360 E C 1.985 178.591 176.600 0.010 0.000 0.997 360 E CA 1.300 57.719 56.400 0.032 0.000 0.801 360 E CB -0.337 29.404 29.700 0.068 0.000 0.746 360 E HN 0.635 nan 8.360 nan 0.000 0.450 361 L N 0.429 121.650 121.223 -0.002 0.000 2.042 361 L HA -0.205 4.135 4.340 0.000 0.000 0.210 361 L C 2.511 179.372 176.870 -0.015 0.000 1.076 361 L CA 0.815 55.654 54.840 -0.002 0.000 0.749 361 L CB -0.468 41.588 42.059 -0.004 0.000 0.893 361 L HN 0.065 nan 8.230 nan 0.000 0.432 362 V N -0.757 119.137 119.914 -0.032 0.000 2.307 362 V HA -0.240 3.880 4.120 0.000 0.000 0.245 362 V C 2.421 178.493 176.094 -0.037 0.000 1.045 362 V CA 1.505 63.784 62.300 -0.035 0.000 1.024 362 V CB -0.122 31.679 31.823 -0.038 0.000 0.651 362 V HN 0.174 nan 8.190 nan 0.000 0.449 363 V N 0.284 120.170 119.914 -0.047 0.000 2.332 363 V HA -0.286 3.835 4.120 0.000 0.000 0.248 363 V C 2.670 178.690 176.094 -0.123 0.000 1.055 363 V CA 2.142 64.389 62.300 -0.089 0.000 1.038 363 V CB -1.063 30.709 31.823 -0.085 0.000 0.651 363 V HN 0.575 nan 8.190 nan 0.000 0.450 364 A N -0.306 122.470 122.820 -0.073 0.000 1.930 364 A HA -0.223 4.098 4.320 0.000 0.000 0.217 364 A C 2.181 179.729 177.584 -0.059 0.000 1.175 364 A CA 1.895 53.890 52.037 -0.070 0.000 0.627 364 A CB -0.443 18.557 19.000 0.000 0.000 0.815 364 A HN 0.552 nan 8.150 nan 0.000 0.443 365 E N 0.505 120.693 120.200 -0.020 0.000 2.047 365 E HA -0.058 4.293 4.350 0.000 0.000 0.191 365 E C 2.038 178.642 176.600 0.007 0.000 0.987 365 E CA 1.672 58.089 56.400 0.028 0.000 0.799 365 E CB -0.541 29.203 29.700 0.072 0.000 0.752 365 E HN 0.434 nan 8.360 nan 0.000 0.449 366 A N 0.593 123.393 122.820 -0.034 0.000 1.902 366 A HA -0.139 4.182 4.320 0.000 0.000 0.217 366 A C 2.385 179.874 177.584 -0.158 0.000 1.181 366 A CA 1.551 53.551 52.037 -0.063 0.000 0.623 366 A CB -0.830 18.118 19.000 -0.086 0.000 0.818 366 A HN 0.340 nan 8.150 nan 0.000 0.443 367 L N -0.755 120.275 121.223 -0.321 0.000 1.989 367 L HA -0.225 4.116 4.340 0.000 0.000 0.211 367 L C 3.104 179.809 176.870 -0.275 0.000 1.071 367 L CA 1.239 55.715 54.840 -0.607 0.000 0.749 367 L CB -0.632 40.764 42.059 -1.106 0.000 0.890 367 L HN 0.432 nan 8.230 nan 0.000 0.431 368 A N -0.086 122.664 122.820 -0.116 0.000 2.024 368 A HA -0.183 4.137 4.320 0.000 0.000 0.220 368 A C 2.197 179.786 177.584 0.008 0.000 1.164 368 A CA 1.570 53.618 52.037 0.019 0.000 0.643 368 A CB -0.685 18.340 19.000 0.040 0.000 0.806 368 A HN 0.427 nan 8.150 nan 0.000 0.451 369 I N -2.435 118.128 120.570 -0.013 0.000 2.406 369 I HA -0.169 4.001 4.170 0.000 0.000 0.249 369 I C 2.377 178.464 176.117 -0.050 0.000 1.122 369 I CA 1.167 62.446 61.300 -0.036 0.000 1.431 369 I CB -0.343 37.648 38.000 -0.016 0.000 1.087 369 I HN 0.518 nan 8.210 nan 0.000 0.424 370 Y N 2.001 122.224 120.300 -0.127 0.000 2.181 370 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 370 Y C 2.480 178.355 175.900 -0.041 0.000 1.146 370 Y CA 1.448 59.485 58.100 -0.105 0.000 1.164 370 Y CB -0.280 38.064 38.460 -0.193 0.000 0.982 370 Y HN 0.109 nan 8.280 nan 0.000 0.515 371 A N -0.005 122.806 122.820 -0.015 0.000 1.855 371 A HA -0.165 4.155 4.320 0.000 0.000 0.215 371 A C 2.045 179.559 177.584 -0.116 0.000 1.191 371 A CA 1.614 53.638 52.037 -0.022 0.000 0.613 371 A CB -0.596 18.511 19.000 0.178 0.000 0.829 371 A HN 0.505 nan 8.150 nan 0.000 0.442 372 Q N -0.547 119.196 119.800 -0.094 0.000 2.297 372 Q HA -0.032 4.308 4.340 0.000 0.000 0.204 372 Q C 1.670 177.562 176.000 -0.179 0.000 0.962 372 Q CA 1.091 56.824 55.803 -0.115 0.000 0.879 372 Q CB -0.054 28.630 28.738 -0.090 0.000 0.947 372 Q HN 0.726 nan 8.270 nan 0.000 0.462 373 R N -1.946 118.405 120.500 -0.249 0.000 2.394 373 R HA 0.281 4.621 4.340 0.000 0.000 0.220 373 R C 1.324 177.550 176.300 -0.124 0.000 0.887 373 R CA 0.056 55.948 56.100 -0.347 0.000 1.034 373 R CB 0.668 30.472 30.300 -0.826 0.000 1.179 373 R HN 0.090 nan 8.270 nan 0.000 0.561 374 M N -1.201 118.286 119.600 -0.188 0.000 2.060 374 M HA 0.320 4.800 4.480 0.000 0.000 0.273 374 M C -0.220 175.976 176.300 -0.173 0.000 1.139 374 M CA 0.415 55.636 55.300 -0.132 0.000 1.091 374 M CB 1.364 33.700 32.600 -0.440 0.000 1.860 374 M HN -0.035 nan 8.290 nan 0.000 0.638 375 A N 1.200 123.776 122.820 -0.408 0.000 3.266 375 A HA 0.608 4.928 4.320 0.000 0.000 0.310 375 A C -2.171 175.230 177.584 -0.304 0.000 1.066 375 A CA -0.849 50.978 52.037 -0.350 0.000 0.839 375 A CB 0.146 18.834 19.000 -0.520 0.000 1.192 375 A HN 0.036 nan 8.150 nan 0.000 0.496 376 P HA -0.204 nan 4.420 nan 0.000 0.223 376 P C 1.121 178.404 177.300 -0.028 0.000 1.144 376 P CA 1.437 64.492 63.100 -0.074 0.000 0.783 376 P CB -0.208 31.455 31.700 -0.061 0.000 0.771 377 H N -2.572 116.482 119.070 -0.027 0.000 2.556 377 H HA 0.208 4.764 4.556 0.000 0.000 0.268 377 H C 1.162 176.474 175.328 -0.027 0.000 0.996 377 H CA 0.500 56.535 56.048 -0.022 0.000 1.157 377 H CB -0.428 29.328 29.762 -0.011 0.000 1.355 377 H HN 0.154 nan 8.280 nan 0.000 0.597 378 M N 0.315 119.727 119.600 -0.314 0.000 2.337 378 M HA 0.264 4.744 4.480 0.000 0.000 0.256 378 M C 2.265 178.452 176.300 -0.187 0.000 1.075 378 M CA 0.419 55.543 55.300 -0.293 0.000 1.024 378 M CB 0.196 32.628 32.600 -0.279 0.000 1.429 378 M HN 0.317 nan 8.290 nan 0.000 0.497 379 A N 1.711 124.497 122.820 -0.057 0.000 2.054 379 A HA -0.187 4.133 4.320 0.000 0.000 0.223 379 A C 1.805 179.389 177.584 0.000 0.000 1.169 379 A CA 1.864 53.916 52.037 0.025 0.000 0.655 379 A CB -0.481 18.527 19.000 0.015 0.000 0.812 379 A HN 0.646 nan 8.150 nan 0.000 0.462 380 E N -0.337 119.812 120.200 -0.084 0.000 2.481 380 E HA 0.132 4.482 4.350 0.000 0.000 0.198 380 E C 1.342 177.823 176.600 -0.198 0.000 1.027 380 E CA 0.532 56.878 56.400 -0.091 0.000 0.900 380 E CB -0.346 29.314 29.700 -0.067 0.000 0.993 380 E HN 0.376 nan 8.360 nan 0.000 0.482 381 V N 0.594 120.250 119.914 -0.430 0.000 2.515 381 V HA -0.108 4.012 4.120 0.000 0.000 0.250 381 V C 0.868 176.553 176.094 -0.683 0.000 1.058 381 V CA 1.220 63.088 62.300 -0.719 0.000 1.064 381 V CB -0.454 30.589 31.823 -1.299 0.000 0.675 381 V HN 0.314 nan 8.190 nan 0.000 0.461 382 W N -0.637 120.662 121.300 -0.002 0.000 2.781 382 W HA 0.434 5.094 4.660 0.000 0.000 0.345 382 W C -0.556 175.965 176.519 0.004 0.000 1.085 382 W CA -1.572 55.771 57.345 -0.003 0.000 1.198 382 W CB 0.430 29.867 29.460 -0.038 0.000 1.423 382 W HN 0.053 nan 8.180 nan 0.000 0.532 383 D N 1.423 121.972 120.400 0.248 0.000 2.515 383 D HA -0.063 4.577 4.640 0.000 0.000 0.232 383 D C 0.470 176.857 176.300 0.145 0.000 1.157 383 D CA 0.725 54.816 54.000 0.152 0.000 0.871 383 D CB 0.901 41.774 40.800 0.121 0.000 1.200 383 D HN -0.072 nan 8.370 nan 0.000 0.466 384 K N 1.003 121.461 120.400 0.097 0.000 2.319 384 K HA 0.062 4.382 4.320 0.000 0.000 0.265 384 K C 0.255 176.897 176.600 0.070 0.000 1.000 384 K CA -0.252 56.082 56.287 0.079 0.000 0.943 384 K CB 0.678 33.211 32.500 0.054 0.000 0.950 384 K HN 0.422 nan 8.250 nan 0.000 0.485 385 S N 1.430 117.167 115.700 0.061 0.000 2.558 385 S HA -0.030 4.440 4.470 0.000 0.000 0.291 385 S C 0.975 175.609 174.600 0.057 0.000 1.306 385 S CA -0.417 57.819 58.200 0.060 0.000 1.056 385 S CB 0.661 63.895 63.200 0.058 0.000 0.836 385 S HN 0.432 nan 8.310 nan 0.000 0.504 386 V N 3.909 123.860 119.914 0.062 0.000 3.590 386 V HA 0.373 4.493 4.120 0.000 0.000 0.265 386 V C 1.006 177.135 176.094 0.059 0.000 1.239 386 V CA 1.092 63.425 62.300 0.056 0.000 1.117 386 V CB -0.583 31.274 31.823 0.056 0.000 0.818 386 V HN 1.256 nan 8.190 nan 0.000 0.451 387 G N -1.452 107.395 108.800 0.079 0.000 3.326 387 G HA2 -0.192 3.768 3.960 0.000 0.000 0.681 387 G HA3 -0.192 3.768 3.960 0.000 0.000 0.681 387 G C -0.273 174.715 174.900 0.147 0.000 1.255 387 G CA -0.053 45.107 45.100 0.099 0.000 0.976 387 G HN 0.117 nan 8.290 nan 0.000 0.563 388 Y N 3.345 123.666 120.300 0.036 0.000 2.114 388 Y HA -0.114 4.436 4.550 0.000 0.000 0.282 388 Y C 0.296 176.230 175.900 0.057 0.000 1.165 388 Y CA 3.102 61.234 58.100 0.053 0.000 1.148 388 Y CB -0.132 38.369 38.460 0.068 0.000 0.972 388 Y HN 0.508 nan 8.280 nan 0.000 0.504 389 P HA -0.128 nan 4.420 nan 0.000 0.220 389 P C 0.916 178.210 177.300 -0.010 0.000 1.152 389 P CA 1.690 64.804 63.100 0.024 0.000 0.812 389 P CB -0.145 31.590 31.700 0.059 0.000 0.792 390 E N -0.444 119.766 120.200 0.017 0.000 2.204 390 E HA -0.091 4.259 4.350 0.000 0.000 0.194 390 E C 1.339 177.968 176.600 0.048 0.000 0.989 390 E CA 1.323 57.732 56.400 0.015 0.000 0.824 390 E CB -1.665 28.048 29.700 0.022 0.000 0.756 390 E HN 0.216 nan 8.360 nan 0.000 0.477 391 T N 1.668 116.240 114.554 0.029 0.000 2.896 391 T HA 0.066 4.416 4.350 0.000 0.000 0.263 391 T C 2.055 176.774 174.700 0.031 0.000 1.050 391 T CA 0.745 62.861 62.100 0.027 0.000 1.140 391 T CB -0.023 68.833 68.868 -0.020 0.000 0.877 391 T HN 0.112 nan 8.240 nan 0.000 0.457 392 L N -0.714 120.473 121.223 -0.059 0.000 2.357 392 L HA 0.343 4.684 4.340 0.000 0.000 0.211 392 L C 1.860 178.819 176.870 0.148 0.000 1.075 392 L CA 0.625 55.435 54.840 -0.049 0.000 0.830 392 L CB -0.068 41.825 42.059 -0.278 0.000 0.996 392 L HN 0.159 nan 8.230 nan 0.000 0.467 393 L N -1.356 119.884 121.223 0.027 0.000 2.766 393 L HA 0.292 4.632 4.340 0.000 0.000 0.241 393 L C 1.934 178.638 176.870 -0.277 0.000 1.080 393 L CA 0.324 55.098 54.840 -0.110 0.000 0.909 393 L CB 0.213 42.201 42.059 -0.118 0.000 1.277 393 L HN 0.128 nan 8.230 nan 0.000 0.510 394 G N 0.236 108.944 108.800 -0.152 0.000 3.284 394 G HA2 0.058 4.018 3.960 0.000 0.000 0.236 394 G HA3 0.058 4.018 3.960 0.000 0.000 0.236 394 G C 0.420 175.313 174.900 -0.012 0.000 1.158 394 G CA -0.301 44.717 45.100 -0.138 0.000 0.774 394 G HN 0.172 nan 8.290 nan 0.000 0.545 395 F N 0.362 120.313 119.950 0.003 0.000 2.563 395 F HA 0.566 5.093 4.527 0.000 0.000 0.363 395 F C 0.366 176.042 175.800 -0.207 0.000 1.123 395 F CA -1.649 56.313 58.000 -0.065 0.000 1.307 395 F CB 0.699 39.609 39.000 -0.150 0.000 1.115 395 F HN -0.106 nan 8.300 nan 0.000 0.592 396 R N 2.991 123.436 120.500 -0.091 0.000 2.562 396 R HA 0.360 4.700 4.340 0.000 0.000 0.298 396 R C -1.643 174.581 176.300 -0.127 0.000 0.961 396 R CA -0.848 54.914 56.100 -0.562 0.000 0.881 396 R CB 0.966 30.583 30.300 -1.138 0.000 1.159 396 R HN 0.713 nan 8.270 nan 0.000 0.450 397 Y N 2.744 122.956 120.300 -0.147 0.000 2.320 397 Y HA 0.418 4.968 4.550 0.000 0.000 0.324 397 Y C 0.333 176.156 175.900 -0.128 0.000 1.190 397 Y CA -0.800 57.244 58.100 -0.092 0.000 1.215 397 Y CB 1.071 39.516 38.460 -0.024 0.000 1.221 397 Y HN 0.303 nan 8.280 nan 0.000 0.486 398 R N 1.665 122.205 120.500 0.067 0.000 2.621 398 R HA 0.744 5.084 4.340 0.000 0.000 0.292 398 R C -0.675 175.617 176.300 -0.013 0.000 0.969 398 R CA -0.738 55.371 56.100 0.015 0.000 0.887 398 R CB 1.825 32.118 30.300 -0.012 0.000 1.180 398 R HN 0.818 nan 8.270 nan 0.000 0.450 399 S N -0.871 114.833 115.700 0.007 0.000 2.671 399 S HA 0.074 4.544 4.470 0.000 0.000 0.270 399 S C 0.500 175.117 174.600 0.029 0.000 1.166 399 S CA -0.129 58.067 58.200 -0.008 0.000 0.868 399 S CB 0.506 63.678 63.200 -0.047 0.000 1.190 399 S HN 0.508 nan 8.310 nan 0.000 0.494 400 S N -0.041 115.676 115.700 0.028 0.000 2.595 400 S HA 0.211 4.681 4.470 0.000 0.000 0.235 400 S C 1.233 175.884 174.600 0.085 0.000 0.974 400 S CA 0.641 58.870 58.200 0.048 0.000 0.942 400 S CB -0.648 62.573 63.200 0.036 0.000 0.766 400 S HN 1.607 nan 8.310 nan 0.000 0.536 401 A N 0.271 123.156 122.820 0.109 0.000 2.503 401 A HA 0.657 4.977 4.320 0.000 0.000 0.263 401 A C 0.089 177.799 177.584 0.211 0.000 1.258 401 A CA -0.309 51.843 52.037 0.192 0.000 0.936 401 A CB 0.511 19.653 19.000 0.238 0.000 1.070 401 A HN 0.379 nan 8.150 nan 0.000 0.522 402 V N 1.353 121.359 119.914 0.154 0.000 2.482 402 V HA 0.277 4.397 4.120 0.000 0.000 0.295 402 V C -0.494 175.679 176.094 0.133 0.000 1.026 402 V CA -0.316 62.074 62.300 0.150 0.000 0.856 402 V CB 1.671 33.563 31.823 0.115 0.000 1.001 402 V HN 0.372 nan 8.190 nan 0.000 0.424 403 L N 4.939 126.269 121.223 0.178 0.000 2.449 403 L HA 0.578 4.918 4.340 0.000 0.000 0.255 403 L C 0.698 177.654 176.870 0.143 0.000 1.167 403 L CA -0.069 54.887 54.840 0.193 0.000 1.090 403 L CB 0.629 42.885 42.059 0.328 0.000 1.385 403 L HN 0.735 nan 8.230 nan 0.000 0.411 404 A N 1.373 124.245 122.820 0.087 0.000 2.309 404 A HA 0.522 4.843 4.320 0.000 0.000 0.298 404 A C 1.021 178.633 177.584 0.046 0.000 1.165 404 A CA -0.322 51.745 52.037 0.050 0.000 0.821 404 A CB 0.910 19.929 19.000 0.031 0.000 1.102 404 A HN 0.585 nan 8.150 nan 0.000 0.500 405 T N 1.084 115.654 114.554 0.026 0.000 2.901 405 T HA -0.020 4.330 4.350 0.000 0.000 0.252 405 T C 0.873 175.587 174.700 0.022 0.000 1.035 405 T CA 1.134 63.249 62.100 0.024 0.000 1.142 405 T CB -0.273 68.598 68.868 0.005 0.000 0.869 405 T HN 0.903 nan 8.240 nan 0.000 0.442 406 D N 1.313 121.724 120.400 0.019 0.000 2.414 406 D HA 0.038 4.678 4.640 0.000 0.000 0.251 406 D C -0.625 175.689 176.300 0.023 0.000 1.252 406 D CA -0.133 53.879 54.000 0.020 0.000 0.999 406 D CB 0.923 41.737 40.800 0.023 0.000 1.093 406 D HN 0.043 nan 8.370 nan 0.000 0.515 407 D N 0.206 120.619 120.400 0.022 0.000 2.517 407 D HA 0.093 4.733 4.640 0.000 0.000 0.263 407 D C -1.444 174.869 176.300 0.023 0.000 1.233 407 D CA -0.430 53.583 54.000 0.021 0.000 0.849 407 D CB 0.592 41.402 40.800 0.017 0.000 1.261 407 D HN 0.322 nan 8.370 nan 0.000 0.516 408 D N 2.183 122.602 120.400 0.032 0.000 2.264 408 D HA 0.181 4.821 4.640 0.000 0.000 0.250 408 D C -1.344 174.977 176.300 0.036 0.000 1.113 408 D CA -1.742 52.280 54.000 0.037 0.000 0.871 408 D CB 1.873 42.704 40.800 0.052 0.000 1.167 408 D HN 0.107 nan 8.370 nan 0.000 0.447 409 P HA 0.130 nan 4.420 nan 0.000 0.245 409 P C 0.110 177.431 177.300 0.035 0.000 1.206 409 P CA -0.150 62.965 63.100 0.026 0.000 0.781 409 P CB 0.066 31.779 31.700 0.021 0.000 0.994 410 A N 1.066 123.917 122.820 0.051 0.000 2.561 410 A HA 0.012 4.332 4.320 0.000 0.000 0.234 410 A C 1.166 178.796 177.584 0.076 0.000 1.055 410 A CA 0.307 52.386 52.037 0.070 0.000 0.756 410 A CB -0.090 18.965 19.000 0.090 0.000 0.986 410 A HN 0.075 nan 8.150 nan 0.000 0.505 411 R N 0.153 120.699 120.500 0.076 0.000 2.404 411 R HA 0.262 4.602 4.340 0.000 0.000 0.237 411 R C -0.056 176.308 176.300 0.106 0.000 0.907 411 R CA 0.804 56.940 56.100 0.060 0.000 1.063 411 R CB 0.701 31.029 30.300 0.048 0.000 1.134 411 R HN 0.775 nan 8.270 nan 0.000 0.529 412 V N -1.969 118.041 119.914 0.160 0.000 3.159 412 V HA 0.595 4.715 4.120 0.000 0.000 0.308 412 V C -1.115 175.099 176.094 0.199 0.000 1.190 412 V CA -1.113 61.313 62.300 0.210 0.000 1.037 412 V CB 2.242 34.136 31.823 0.117 0.000 1.060 412 V HN 0.202 nan 8.190 nan 0.000 0.437 413 E N 1.102 121.356 120.200 0.089 0.000 2.392 413 E HA 0.374 4.724 4.350 0.000 0.000 0.269 413 E C -0.959 175.564 176.600 -0.128 0.000 0.924 413 E CA -0.939 55.388 56.400 -0.123 0.000 0.784 413 E CB 2.070 31.489 29.700 -0.469 0.000 1.292 413 E HN 0.781 nan 8.360 nan 0.000 0.447 414 N N 2.181 120.805 118.700 -0.127 0.000 2.429 414 N HA -0.003 4.737 4.740 0.000 0.000 0.271 414 N C -1.458 173.962 175.510 -0.149 0.000 1.272 414 N CA -1.154 51.835 53.050 -0.102 0.000 0.921 414 N CB 0.750 39.188 38.487 -0.083 0.000 1.128 414 N HN 0.345 nan 8.380 nan 0.000 0.481 415 P HA -0.109 nan 4.420 nan 0.000 0.226 415 P C 1.263 178.483 177.300 -0.133 0.000 1.153 415 P CA 0.862 63.867 63.100 -0.160 0.000 0.777 415 P CB 0.301 31.923 31.700 -0.129 0.000 0.794 416 L N -0.280 120.885 121.223 -0.097 0.000 2.240 416 L HA 0.014 4.354 4.340 0.000 0.000 0.211 416 L C 1.183 178.001 176.870 -0.086 0.000 1.106 416 L CA 1.423 56.221 54.840 -0.071 0.000 0.793 416 L CB -0.977 41.055 42.059 -0.044 0.000 0.927 416 L HN 0.065 nan 8.230 nan 0.000 0.446 417 T N -1.931 112.555 114.554 -0.114 0.000 3.331 417 T HA 0.403 4.753 4.350 0.000 0.000 0.381 417 T C -2.445 172.142 174.700 -0.188 0.000 1.656 417 T CA -1.782 60.242 62.100 -0.125 0.000 1.453 417 T CB 0.479 69.285 68.868 -0.103 0.000 1.066 417 T HN -0.135 nan 8.240 nan 0.000 0.655 418 P HA 0.235 nan 4.420 nan 0.000 0.274 418 P C 0.830 177.933 177.300 -0.328 0.000 1.237 418 P CA -0.464 62.441 63.100 -0.325 0.000 0.793 418 P CB 1.228 32.738 31.700 -0.317 0.000 0.977 419 S N -0.725 114.718 115.700 -0.428 0.000 2.503 419 S HA 0.198 4.668 4.470 0.000 0.000 0.215 419 S C 1.613 176.056 174.600 -0.262 0.000 1.003 419 S CA 0.527 58.537 58.200 -0.318 0.000 0.910 419 S CB -1.028 61.973 63.200 -0.332 0.000 0.790 419 S HN 0.789 nan 8.310 nan 0.000 0.514 420 G N 2.333 110.939 108.800 -0.324 0.000 2.186 420 G HA2 -0.301 3.659 3.960 0.000 0.000 0.266 420 G HA3 -0.301 3.659 3.960 0.000 0.000 0.266 420 G C 0.207 175.039 174.900 -0.113 0.000 0.982 420 G CA 0.255 45.186 45.100 -0.282 0.000 0.670 420 G HN 0.535 nan 8.290 nan 0.000 0.533 421 R N 0.454 120.936 120.500 -0.030 0.000 2.679 421 R HA 0.219 4.559 4.340 0.000 0.000 0.268 421 R C -2.272 174.111 176.300 0.138 0.000 1.044 421 R CA -1.460 54.693 56.100 0.089 0.000 1.105 421 R CB -0.319 30.112 30.300 0.219 0.000 0.989 421 R HN 0.101 nan 8.270 nan 0.000 0.447 422 P HA -0.119 nan 4.420 nan 0.000 0.263 422 P C 0.826 178.113 177.300 -0.021 0.000 1.168 422 P CA 1.351 64.472 63.100 0.035 0.000 0.759 422 P CB 0.347 32.072 31.700 0.041 0.000 0.782 423 G N 1.147 109.908 108.800 -0.066 0.000 2.254 423 G HA2 -0.215 3.745 3.960 0.000 0.000 0.225 423 G HA3 -0.215 3.745 3.960 0.000 0.000 0.225 423 G C -0.115 174.513 174.900 -0.454 0.000 1.003 423 G CA -0.505 44.457 45.100 -0.230 0.000 0.622 423 G HN 0.407 nan 8.290 nan 0.000 0.507 424 F N 1.145 120.971 119.950 -0.206 0.000 2.483 424 F HA 0.736 5.263 4.527 0.000 0.000 0.329 424 F C 1.203 176.772 175.800 -0.384 0.000 1.064 424 F CA -1.060 56.722 58.000 -0.363 0.000 0.986 424 F CB 0.876 39.687 39.000 -0.315 0.000 1.218 424 F HN -0.077 nan 8.300 nan 0.000 0.484 425 R N 0.571 120.889 120.500 -0.302 0.000 2.583 425 R HA 0.168 4.508 4.340 0.000 0.000 0.274 425 R C 0.362 176.563 176.300 -0.164 0.000 0.998 425 R CA 0.085 56.036 56.100 -0.249 0.000 1.081 425 R CB 0.028 30.159 30.300 -0.281 0.000 0.940 425 R HN 0.893 nan 8.270 nan 0.000 0.413 426 G N 5.180 113.931 108.800 -0.082 0.000 2.224 426 G HA2 0.011 3.971 3.960 0.000 0.000 0.239 426 G HA3 0.011 3.971 3.960 0.000 0.000 0.239 426 G C -2.191 172.681 174.900 -0.047 0.000 1.240 426 G CA -0.851 44.257 45.100 0.013 0.000 0.896 426 G HN 0.370 nan 8.290 nan 0.000 0.496 427 P HA -0.008 nan 4.420 nan 0.000 0.267 427 P C -0.083 177.268 177.300 0.084 0.000 1.200 427 P CA 0.150 63.102 63.100 -0.246 0.000 0.772 427 P CB 0.457 31.882 31.700 -0.458 0.000 0.855 428 H N 2.861 121.911 119.070 -0.032 0.000 2.878 428 H HA 0.371 4.927 4.556 0.000 0.000 0.290 428 H C -0.963 174.364 175.328 -0.002 0.000 1.065 428 H CA 0.238 56.275 56.048 -0.018 0.000 1.477 428 H CB -0.206 29.524 29.762 -0.053 0.000 1.484 428 H HN -0.023 nan 8.280 nan 0.000 0.504 429 V N 7.154 126.854 119.914 -0.357 0.000 2.760 429 V HA 0.174 4.294 4.120 0.000 0.000 0.309 429 V C -0.299 175.559 176.094 -0.393 0.000 1.077 429 V CA -0.975 61.106 62.300 -0.365 0.000 0.910 429 V CB 2.035 33.802 31.823 -0.094 0.000 1.008 429 V HN 0.685 nan 8.190 nan 0.000 0.424 430 L N 5.528 126.533 121.223 -0.363 0.000 2.367 430 L HA 0.714 5.054 4.340 0.000 0.000 0.275 430 L C -0.048 176.719 176.870 -0.171 0.000 1.129 430 L CA -0.074 54.629 54.840 -0.229 0.000 0.839 430 L CB 1.101 43.066 42.059 -0.156 0.000 1.133 430 L HN 0.644 nan 8.230 nan 0.000 0.453 431 V N 0.030 119.845 119.914 -0.165 0.000 3.130 431 V HA 0.881 5.001 4.120 0.000 0.000 0.308 431 V C -0.656 175.341 176.094 -0.161 0.000 1.413 431 V CA -0.693 61.507 62.300 -0.167 0.000 1.053 431 V CB 1.957 33.650 31.823 -0.216 0.000 1.075 431 V HN 0.757 nan 8.190 nan 0.000 0.465 432 S N -0.145 115.451 115.700 -0.173 0.000 2.537 432 S HA 0.672 5.142 4.470 0.000 0.000 0.270 432 S C -1.066 173.402 174.600 -0.220 0.000 1.142 432 S CA -1.010 57.094 58.200 -0.160 0.000 0.870 432 S CB 2.153 65.293 63.200 -0.100 0.000 1.112 432 S HN 0.915 nan 8.310 nan 0.000 0.466 433 R N 2.234 122.601 120.500 -0.222 0.000 2.287 433 R HA 0.324 4.664 4.340 0.000 0.000 0.327 433 R C -0.277 175.908 176.300 -0.191 0.000 1.109 433 R CA -0.532 55.364 56.100 -0.339 0.000 1.013 433 R CB -0.261 29.895 30.300 -0.241 0.000 1.126 433 R HN 0.865 nan 8.270 nan 0.000 0.503 434 H N 0.702 119.760 119.070 -0.021 0.000 3.179 434 H HA -0.222 4.334 4.556 0.000 0.000 0.250 434 H C 1.077 176.399 175.328 -0.010 0.000 1.142 434 H CA 1.428 57.472 56.048 -0.007 0.000 1.165 434 H CB -1.182 28.583 29.762 0.006 0.000 1.253 434 H HN 1.002 nan 8.280 nan 0.000 0.325 435 G N -0.109 108.717 108.800 0.044 0.000 2.901 435 G HA2 -0.185 3.775 3.960 0.000 0.000 0.194 435 G HA3 -0.185 3.775 3.960 0.000 0.000 0.194 435 G C -0.011 174.889 174.900 0.000 0.000 1.020 435 G CA 0.103 45.218 45.100 0.025 0.000 0.787 435 G HN 0.467 nan 8.290 nan 0.000 0.477 436 E N 1.923 122.119 120.200 -0.007 0.000 2.152 436 E HA 0.465 4.815 4.350 0.000 0.000 0.285 436 E C 0.039 176.607 176.600 -0.053 0.000 1.043 436 E CA -0.672 55.716 56.400 -0.020 0.000 0.839 436 E CB 0.364 30.058 29.700 -0.009 0.000 1.069 436 E HN 0.073 nan 8.360 nan 0.000 0.399 437 R N 4.793 125.267 120.500 -0.045 0.000 2.265 437 R HA 0.426 4.766 4.340 0.000 0.000 0.314 437 R C -0.402 175.861 176.300 -0.062 0.000 1.053 437 R CA -0.182 55.883 56.100 -0.059 0.000 0.931 437 R CB 0.385 30.662 30.300 -0.039 0.000 1.024 437 R HN 0.616 nan 8.270 nan 0.000 0.457 438 L N 0.152 121.320 121.223 -0.092 0.000 2.491 438 L HA 0.338 4.678 4.340 0.000 0.000 0.254 438 L C 0.028 176.834 176.870 -0.107 0.000 1.048 438 L CA -0.851 53.932 54.840 -0.095 0.000 0.855 438 L CB 2.291 44.269 42.059 -0.135 0.000 1.466 438 L HN 0.455 nan 8.230 nan 0.000 0.409 439 S N -0.809 114.848 115.700 -0.073 0.000 2.562 439 S HA 0.147 4.617 4.470 0.000 0.000 0.275 439 S C 1.223 175.698 174.600 -0.208 0.000 1.281 439 S CA 0.002 58.160 58.200 -0.071 0.000 1.045 439 S CB 1.180 64.464 63.200 0.139 0.000 0.962 439 S HN 0.753 nan 8.310 nan 0.000 0.503 440 T N 2.597 117.001 114.554 -0.249 0.000 2.848 440 T HA -0.129 4.221 4.350 0.000 0.000 0.269 440 T C 1.603 175.847 174.700 -0.761 0.000 1.081 440 T CA 1.606 63.468 62.100 -0.397 0.000 1.125 440 T CB -0.494 68.272 68.868 -0.170 0.000 0.848 440 T HN 0.418 nan 8.240 nan 0.000 0.503 441 V N 2.053 121.716 119.914 -0.419 0.000 2.591 441 V HA -0.063 4.057 4.120 0.000 0.000 0.249 441 V C 2.130 178.001 176.094 -0.372 0.000 1.053 441 V CA 1.504 63.578 62.300 -0.377 0.000 1.068 441 V CB -0.374 31.429 31.823 -0.034 0.000 0.689 441 V HN 0.467 nan 8.190 nan 0.000 0.462 442 D N 0.137 120.374 120.400 -0.271 0.000 2.378 442 D HA -0.003 4.637 4.640 0.000 0.000 0.227 442 D C 1.811 177.990 176.300 -0.203 0.000 1.012 442 D CA 0.624 54.517 54.000 -0.178 0.000 0.905 442 D CB 0.146 40.878 40.800 -0.113 0.000 0.895 442 D HN 0.375 nan 8.370 nan 0.000 0.532 443 L N -0.590 120.386 121.223 -0.411 0.000 2.492 443 L HA 0.097 4.437 4.340 0.000 0.000 0.223 443 L C 0.803 177.691 176.870 0.030 0.000 1.132 443 L CA 0.232 54.935 54.840 -0.227 0.000 0.850 443 L CB -0.076 41.806 42.059 -0.295 0.000 0.966 443 L HN -0.103 nan 8.230 nan 0.000 0.454 444 F N -0.775 119.184 119.950 0.016 0.000 2.377 444 F HA 0.504 5.031 4.527 0.000 0.000 0.328 444 F C 1.318 177.093 175.800 -0.041 0.000 1.094 444 F CA -0.202 57.782 58.000 -0.026 0.000 1.093 444 F CB 1.492 40.454 39.000 -0.063 0.000 1.214 444 F HN -0.028 nan 8.300 nan 0.000 0.518 445 G N 1.321 110.191 108.800 0.117 0.000 2.284 445 G HA2 -0.267 3.693 3.960 0.000 0.000 0.201 445 G HA3 -0.267 3.693 3.960 0.000 0.000 0.201 445 G C 0.586 175.502 174.900 0.027 0.000 0.998 445 G CA 0.174 45.300 45.100 0.044 0.000 0.651 445 G HN 0.624 nan 8.290 nan 0.000 0.489 446 D N 0.609 121.040 120.400 0.052 0.000 2.083 446 D HA 0.272 4.912 4.640 0.000 0.000 0.199 446 D C 2.002 178.322 176.300 0.034 0.000 0.980 446 D CA 2.756 56.787 54.000 0.051 0.000 0.851 446 D CB -0.471 40.371 40.800 0.070 0.000 0.997 446 D HN 0.643 nan 8.370 nan 0.000 0.449 447 G N -2.019 106.814 108.800 0.055 0.000 3.244 447 G HA2 0.339 4.300 3.960 0.000 0.000 0.197 447 G HA3 0.339 4.300 3.960 0.000 0.000 0.197 447 G C -1.067 173.835 174.900 0.002 0.000 1.531 447 G CA -0.426 44.737 45.100 0.105 0.000 0.747 447 G HN 0.146 nan 8.290 nan 0.000 0.763 448 W N 1.015 122.278 121.300 -0.061 0.000 2.449 448 W HA 0.680 5.340 4.660 0.000 0.000 0.331 448 W C -0.203 176.299 176.519 -0.030 0.000 1.119 448 W CA -0.235 57.063 57.345 -0.077 0.000 1.240 448 W CB 1.512 30.931 29.460 -0.068 0.000 1.251 448 W HN 0.185 nan 8.180 nan 0.000 0.576 449 T N 3.524 118.171 114.554 0.155 0.000 2.885 449 T HA 0.671 5.021 4.350 0.000 0.000 0.285 449 T C -1.406 173.383 174.700 0.150 0.000 1.019 449 T CA -0.710 61.495 62.100 0.175 0.000 1.010 449 T CB 1.339 70.417 68.868 0.350 0.000 1.022 449 T HN 0.362 nan 8.240 nan 0.000 0.466 450 L N 3.335 124.637 121.223 0.130 0.000 2.404 450 L HA 0.591 4.931 4.340 0.000 0.000 0.272 450 L C -1.558 175.366 176.870 0.090 0.000 0.980 450 L CA -0.805 54.095 54.840 0.100 0.000 0.836 450 L CB 0.771 42.882 42.059 0.087 0.000 1.238 450 L HN 0.568 nan 8.230 nan 0.000 0.408 451 L N 5.320 126.566 121.223 0.038 0.000 2.275 451 L HA 0.782 5.122 4.340 0.000 0.000 0.288 451 L C 0.229 177.067 176.870 -0.053 0.000 1.046 451 L CA -0.370 54.464 54.840 -0.011 0.000 0.805 451 L CB 1.431 43.383 42.059 -0.178 0.000 1.193 451 L HN 0.702 nan 8.230 nan 0.000 0.426 452 A N 2.258 125.084 122.820 0.011 0.000 2.320 452 A HA 0.800 5.120 4.320 0.000 0.000 0.334 452 A C 0.310 177.921 177.584 0.044 0.000 1.147 452 A CA -0.288 51.768 52.037 0.031 0.000 0.820 452 A CB 1.244 20.350 19.000 0.178 0.000 1.218 452 A HN 0.738 nan 8.150 nan 0.000 0.482 453 G N -0.587 108.255 108.800 0.070 0.000 2.636 453 G HA2 0.311 4.271 3.960 0.000 0.000 0.246 453 G HA3 0.311 4.271 3.960 0.000 0.000 0.246 453 G C 0.669 175.624 174.900 0.093 0.000 1.216 453 G CA 0.377 45.520 45.100 0.071 0.000 0.854 453 G HN 0.931 nan 8.290 nan 0.000 0.572 454 E N -0.247 119.990 120.200 0.062 0.000 2.113 454 E HA -0.230 4.120 4.350 0.000 0.000 0.210 454 E C 2.170 178.814 176.600 0.073 0.000 1.040 454 E CA 1.434 57.868 56.400 0.056 0.000 0.847 454 E CB -0.111 29.613 29.700 0.040 0.000 0.755 454 E HN 0.476 nan 8.360 nan 0.000 0.459 455 L N -0.676 120.599 121.223 0.085 0.000 2.558 455 L HA 0.104 4.444 4.340 0.000 0.000 0.225 455 L C 1.638 178.572 176.870 0.107 0.000 1.128 455 L CA 0.210 55.098 54.840 0.079 0.000 0.868 455 L CB 0.248 42.347 42.059 0.067 0.000 1.006 455 L HN 0.070 nan 8.230 nan 0.000 0.454 456 G N -0.213 108.698 108.800 0.185 0.000 3.455 456 G HA2 0.273 4.234 3.960 0.000 0.000 0.250 456 G HA3 0.273 4.234 3.960 0.000 0.000 0.250 456 G C 1.222 176.261 174.900 0.233 0.000 1.071 456 G CA 0.499 45.789 45.100 0.316 0.000 1.812 456 G HN 0.320 nan 8.290 nan 0.000 0.643 457 A N 1.365 124.250 122.820 0.108 0.000 1.969 457 A HA -0.068 4.252 4.320 0.000 0.000 0.218 457 A C 2.230 179.839 177.584 0.041 0.000 1.169 457 A CA 1.756 53.839 52.037 0.077 0.000 0.635 457 A CB -0.106 18.919 19.000 0.042 0.000 0.810 457 A HN 0.508 nan 8.150 nan 0.000 0.445 458 D N -0.825 119.546 120.400 -0.049 0.000 2.149 458 D HA -0.247 4.393 4.640 0.000 0.000 0.198 458 D C 1.679 177.928 176.300 -0.086 0.000 0.990 458 D CA 1.208 55.121 54.000 -0.144 0.000 0.839 458 D CB -0.935 39.685 40.800 -0.300 0.000 0.948 458 D HN 0.740 nan 8.370 nan 0.000 0.460 459 W N 0.775 122.100 121.300 0.042 0.000 2.402 459 W HA -0.017 4.643 4.660 0.000 0.000 0.286 459 W C 2.607 179.146 176.519 0.033 0.000 1.221 459 W CA 0.338 57.714 57.345 0.052 0.000 1.257 459 W CB -0.237 29.274 29.460 0.085 0.000 1.120 459 W HN -0.153 nan 8.180 nan 0.000 0.551 460 V N 0.707 120.769 119.914 0.247 0.000 2.270 460 V HA -0.291 3.829 4.120 0.000 0.000 0.245 460 V C 2.387 178.533 176.094 0.088 0.000 1.043 460 V CA 2.045 64.429 62.300 0.140 0.000 1.014 460 V CB -1.504 30.381 31.823 0.104 0.000 0.645 460 V HN 0.217 nan 8.190 nan 0.000 0.447 461 A N -0.062 122.795 122.820 0.062 0.000 1.986 461 A HA -0.159 4.161 4.320 0.000 0.000 0.220 461 A C 2.335 179.937 177.584 0.029 0.000 1.171 461 A CA 2.170 54.223 52.037 0.028 0.000 0.640 461 A CB -0.638 18.364 19.000 0.003 0.000 0.811 461 A HN 0.597 nan 8.150 nan 0.000 0.451 462 A N -0.497 122.358 122.820 0.059 0.000 1.970 462 A HA 0.316 4.636 4.320 0.000 0.000 0.216 462 A C 2.418 180.035 177.584 0.055 0.000 1.170 462 A CA 1.531 53.603 52.037 0.059 0.000 0.645 462 A CB -0.775 18.299 19.000 0.123 0.000 0.816 462 A HN 0.986 nan 8.150 nan 0.000 0.447 463 A N -0.335 122.529 122.820 0.074 0.000 1.933 463 A HA -0.135 4.185 4.320 0.000 0.000 0.218 463 A C 1.982 179.572 177.584 0.010 0.000 1.175 463 A CA 1.554 53.617 52.037 0.044 0.000 0.628 463 A CB -0.320 18.710 19.000 0.049 0.000 0.814 463 A HN 0.513 nan 8.150 nan 0.000 0.444 464 E N -0.442 119.764 120.200 0.010 0.000 2.112 464 E HA -0.013 4.338 4.350 0.000 0.000 0.190 464 E C 2.380 178.976 176.600 -0.008 0.000 0.979 464 E CA 0.877 57.276 56.400 -0.002 0.000 0.814 464 E CB -0.280 29.420 29.700 -0.000 0.000 0.762 464 E HN 0.559 nan 8.360 nan 0.000 0.460 465 A N 1.051 123.867 122.820 -0.007 0.000 1.933 465 A HA -0.132 4.188 4.320 0.000 0.000 0.218 465 A C 2.448 180.017 177.584 -0.026 0.000 1.175 465 A CA 1.290 53.318 52.037 -0.016 0.000 0.628 465 A CB -0.439 18.552 19.000 -0.016 0.000 0.814 465 A HN 0.114 nan 8.150 nan 0.000 0.444 466 V N -0.707 119.188 119.914 -0.030 0.000 2.649 466 V HA -0.108 4.012 4.120 0.000 0.000 0.248 466 V C 2.638 178.693 176.094 -0.065 0.000 1.054 466 V CA 1.769 64.035 62.300 -0.055 0.000 1.073 466 V CB -0.418 31.363 31.823 -0.071 0.000 0.699 466 V HN 0.520 nan 8.190 nan 0.000 0.463 467 S N 0.999 116.669 115.700 -0.049 0.000 2.348 467 S HA -0.189 4.281 4.470 0.000 0.000 0.221 467 S C 2.298 176.877 174.600 -0.035 0.000 1.033 467 S CA 1.605 59.778 58.200 -0.044 0.000 1.010 467 S CB -0.537 62.650 63.200 -0.021 0.000 0.891 467 S HN 0.634 nan 8.310 nan 0.000 0.442 468 A N 1.618 124.422 122.820 -0.025 0.000 1.940 468 A HA -0.158 4.162 4.320 0.000 0.000 0.219 468 A C 2.120 179.689 177.584 -0.026 0.000 1.176 468 A CA 1.416 53.441 52.037 -0.020 0.000 0.631 468 A CB -0.512 18.479 19.000 -0.015 0.000 0.814 468 A HN 0.336 nan 8.150 nan 0.000 0.446 469 E N -0.040 120.139 120.200 -0.034 0.000 2.031 469 E HA -0.115 4.235 4.350 0.000 0.000 0.193 469 E C 1.878 178.452 176.600 -0.043 0.000 0.994 469 E CA 1.283 57.660 56.400 -0.038 0.000 0.800 469 E CB -0.260 29.413 29.700 -0.045 0.000 0.752 469 E HN 0.671 nan 8.360 nan 0.000 0.447 470 L N -1.043 120.145 121.223 -0.058 0.000 2.585 470 L HA 0.212 4.552 4.340 0.000 0.000 0.226 470 L C 1.192 178.033 176.870 -0.049 0.000 1.113 470 L CA 0.382 55.183 54.840 -0.065 0.000 0.876 470 L CB 0.069 42.064 42.059 -0.107 0.000 1.072 470 L HN 0.205 nan 8.230 nan 0.000 0.468 471 G N 1.387 110.165 108.800 -0.036 0.000 2.246 471 G HA2 -0.224 3.737 3.960 0.000 0.000 0.273 471 G HA3 -0.224 3.737 3.960 0.000 0.000 0.273 471 G C -0.152 174.741 174.900 -0.011 0.000 1.055 471 G CA 0.184 45.274 45.100 -0.017 0.000 0.851 471 G HN 0.143 nan 8.290 nan 0.000 0.500 472 V N 0.464 120.357 119.914 -0.034 0.000 2.540 472 V HA 0.577 4.697 4.120 0.000 0.000 0.302 472 V C -1.972 174.124 176.094 0.003 0.000 1.035 472 V CA -2.071 60.215 62.300 -0.024 0.000 0.873 472 V CB 2.274 34.007 31.823 -0.150 0.000 0.992 472 V HN 0.143 nan 8.190 nan 0.000 0.428 473 P HA 0.241 nan 4.420 nan 0.000 0.271 473 P C -0.803 176.560 177.300 0.106 0.000 1.226 473 P CA -0.009 63.138 63.100 0.077 0.000 0.765 473 P CB 0.864 32.620 31.700 0.094 0.000 0.835 474 V N 4.737 124.682 119.914 0.053 0.000 2.357 474 V HA 0.333 4.453 4.120 0.000 0.000 0.281 474 V C 0.508 176.609 176.094 0.011 0.000 1.015 474 V CA -0.770 61.567 62.300 0.061 0.000 0.827 474 V CB 1.024 32.860 31.823 0.022 0.000 1.018 474 V HN 0.437 nan 8.190 nan 0.000 0.432 475 R N 3.723 124.220 120.500 -0.004 0.000 2.340 475 R HA 0.711 5.051 4.340 0.000 0.000 0.300 475 R C -0.087 176.091 176.300 -0.203 0.000 1.069 475 R CA 0.189 56.207 56.100 -0.136 0.000 0.984 475 R CB 1.082 31.276 30.300 -0.176 0.000 1.003 475 R HN 0.791 nan 8.270 nan 0.000 0.459 476 A N 4.345 127.003 122.820 -0.270 0.000 2.337 476 A HA 0.591 4.911 4.320 0.000 0.000 0.329 476 A C -1.680 175.716 177.584 -0.313 0.000 1.146 476 A CA -0.541 51.392 52.037 -0.174 0.000 0.800 476 A CB 0.859 19.842 19.000 -0.028 0.000 1.220 476 A HN 0.710 nan 8.150 nan 0.000 0.472 477 Y N 0.352 120.675 120.300 0.037 0.000 2.406 477 Y HA 0.592 5.142 4.550 0.000 0.000 0.340 477 Y C 0.244 176.144 175.900 0.001 0.000 0.975 477 Y CA -0.569 57.534 58.100 0.005 0.000 1.056 477 Y CB 2.106 40.548 38.460 -0.030 0.000 1.210 477 Y HN 0.767 nan 8.280 nan 0.000 0.448 478 R N 2.732 123.347 120.500 0.192 0.000 2.393 478 R HA 0.645 4.985 4.340 0.000 0.000 0.315 478 R C -1.261 175.076 176.300 0.062 0.000 0.952 478 R CA -0.712 55.456 56.100 0.114 0.000 0.842 478 R CB 1.101 31.469 30.300 0.113 0.000 1.163 478 R HN 0.587 nan 8.270 nan 0.000 0.450 479 V N 4.059 123.988 119.914 0.025 0.000 2.843 479 V HA -0.006 4.114 4.120 0.000 0.000 0.305 479 V C 1.565 177.663 176.094 0.007 0.000 1.120 479 V CA 1.846 64.141 62.300 -0.009 0.000 1.254 479 V CB 0.913 32.728 31.823 -0.012 0.000 0.901 479 V HN 1.177 nan 8.190 nan 0.000 0.503 480 G N 2.559 111.353 108.800 -0.009 0.000 2.189 480 G HA2 -0.218 3.742 3.960 0.000 0.000 0.267 480 G HA3 -0.218 3.742 3.960 0.000 0.000 0.267 480 G C 0.576 175.488 174.900 0.020 0.000 0.975 480 G CA 0.769 45.871 45.100 0.003 0.000 0.644 480 G HN 1.407 nan 8.290 nan 0.000 0.537 481 A N -0.467 122.370 122.820 0.030 0.000 2.713 481 A HA 0.748 5.068 4.320 0.000 0.000 0.212 481 A C 2.272 179.895 177.584 0.065 0.000 2.263 481 A CA 1.082 53.153 52.037 0.057 0.000 1.645 481 A CB -0.721 18.322 19.000 0.072 0.000 1.159 481 A HN 1.359 nan 8.150 nan 0.000 0.394 482 G N -1.159 107.690 108.800 0.083 0.000 2.880 482 G HA2 0.379 4.339 3.960 0.000 0.000 0.209 482 G HA3 0.379 4.339 3.960 0.000 0.000 0.209 482 G C 0.002 174.800 174.900 -0.168 0.000 1.157 482 G CA 0.528 45.663 45.100 0.059 0.000 0.779 482 G HN 0.355 nan 8.290 nan 0.000 0.539 483 L N 1.354 122.515 121.223 -0.103 0.000 2.343 483 L HA 0.534 4.874 4.340 0.000 0.000 0.278 483 L C -0.442 176.346 176.870 -0.137 0.000 0.996 483 L CA -0.382 54.342 54.840 -0.194 0.000 0.831 483 L CB 1.929 43.868 42.059 -0.200 0.000 1.232 483 L HN -0.173 nan 8.230 nan 0.000 0.413 484 T N 3.328 117.792 114.554 -0.150 0.000 2.780 484 T HA 0.245 4.595 4.350 0.000 0.000 0.294 484 T C -0.730 173.912 174.700 -0.097 0.000 0.949 484 T CA 0.028 62.070 62.100 -0.096 0.000 1.074 484 T CB 0.404 69.225 68.868 -0.077 0.000 0.910 484 T HN 0.449 nan 8.240 nan 0.000 0.501 485 D N 3.783 124.140 120.400 -0.072 0.000 2.461 485 D HA 0.363 5.003 4.640 0.000 0.000 0.240 485 D C -1.567 174.704 176.300 -0.050 0.000 1.094 485 D CA -2.247 51.711 54.000 -0.069 0.000 0.868 485 D CB 1.779 42.541 40.800 -0.063 0.000 1.062 485 D HN 0.163 nan 8.370 nan 0.000 0.530 486 P HA -0.042 nan 4.420 nan 0.000 0.215 486 P C 0.962 178.243 177.300 -0.033 0.000 1.157 486 P CA 0.755 63.833 63.100 -0.037 0.000 0.856 486 P CB 0.240 31.917 31.700 -0.039 0.000 0.786 487 E N -0.569 119.608 120.200 -0.039 0.000 2.435 487 E HA 0.026 4.376 4.350 0.000 0.000 0.195 487 E C -0.158 176.425 176.600 -0.029 0.000 1.029 487 E CA 0.430 56.810 56.400 -0.033 0.000 0.865 487 E CB -0.521 29.156 29.700 -0.039 0.000 0.833 487 E HN -0.121 nan 8.360 nan 0.000 0.510 488 S N -0.215 115.467 115.700 -0.031 0.000 3.797 488 S HA -0.147 4.323 4.470 0.000 0.000 0.374 488 S C 0.269 174.856 174.600 -0.022 0.000 0.970 488 S CA 0.450 58.635 58.200 -0.025 0.000 1.177 488 S CB -1.648 61.542 63.200 -0.017 0.000 0.891 488 S HN 0.700 nan 8.310 nan 0.000 0.491 489 A N -0.931 121.873 122.820 -0.026 0.000 2.585 489 A HA 0.608 4.928 4.320 0.000 0.000 0.266 489 A C 1.337 178.928 177.584 0.012 0.000 1.178 489 A CA 0.513 52.540 52.037 -0.016 0.000 0.966 489 A CB 0.372 19.354 19.000 -0.031 0.000 1.170 489 A HN 0.477 nan 8.150 nan 0.000 0.558 490 V N 0.076 119.992 119.914 0.004 0.000 2.302 490 V HA -0.167 3.953 4.120 0.000 0.000 0.243 490 V C 2.669 178.812 176.094 0.081 0.000 1.036 490 V CA 2.570 64.890 62.300 0.034 0.000 1.020 490 V CB -0.545 31.224 31.823 -0.091 0.000 0.657 490 V HN 0.558 nan 8.190 nan 0.000 0.453 491 S N -0.246 115.468 115.700 0.025 0.000 2.372 491 S HA -0.339 4.131 4.470 0.000 0.000 0.227 491 S C 1.968 176.597 174.600 0.048 0.000 1.044 491 S CA 2.276 60.494 58.200 0.029 0.000 1.050 491 S CB -0.359 62.848 63.200 0.012 0.000 0.901 491 S HN 0.749 nan 8.310 nan 0.000 0.447 492 E N 0.549 120.769 120.200 0.033 0.000 2.076 492 E HA -0.092 4.258 4.350 0.000 0.000 0.190 492 E C 2.255 178.857 176.600 0.003 0.000 0.979 492 E CA 0.470 56.875 56.400 0.008 0.000 0.807 492 E CB 0.093 29.789 29.700 -0.007 0.000 0.761 492 E HN 0.164 nan 8.360 nan 0.000 0.454 493 R N -0.340 120.179 120.500 0.032 0.000 2.090 493 R HA -0.104 4.236 4.340 0.000 0.000 0.228 493 R C 1.883 178.117 176.300 -0.110 0.000 1.110 493 R CA 1.086 57.165 56.100 -0.035 0.000 0.973 493 R CB -0.628 29.663 30.300 -0.014 0.000 0.869 493 R HN 0.361 nan 8.270 nan 0.000 0.440 494 Y N -0.226 120.034 120.300 -0.067 0.000 2.519 494 Y HA 0.138 4.688 4.550 0.000 0.000 0.287 494 Y C 1.486 177.331 175.900 -0.093 0.000 1.128 494 Y CA 0.846 58.904 58.100 -0.070 0.000 1.282 494 Y CB 0.107 38.536 38.460 -0.051 0.000 1.027 494 Y HN 0.343 nan 8.280 nan 0.000 0.551 495 G N 1.204 110.028 108.800 0.040 0.000 2.160 495 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 495 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 495 G C 0.818 175.696 174.900 -0.036 0.000 1.022 495 G CA 0.578 45.664 45.100 -0.022 0.000 0.741 495 G HN 0.616 nan 8.290 nan 0.000 0.508 496 I N -2.163 118.400 120.570 -0.012 0.000 3.793 496 I HA 0.489 4.659 4.170 0.000 0.000 0.315 496 I C 1.712 177.821 176.117 -0.013 0.000 1.275 496 I CA 0.361 61.633 61.300 -0.047 0.000 1.214 496 I CB -0.261 37.702 38.000 -0.062 0.000 1.018 496 I HN 0.987 nan 8.210 nan 0.000 0.439 497 G N 2.820 111.620 108.800 0.001 0.000 2.594 497 G HA2 -0.387 3.574 3.960 0.000 0.000 0.297 497 G HA3 -0.387 3.574 3.960 0.000 0.000 0.297 497 G C 0.628 175.546 174.900 0.029 0.000 1.273 497 G CA 0.850 45.959 45.100 0.015 0.000 0.974 497 G HN 0.471 nan 8.290 nan 0.000 0.552 498 K N 0.186 120.611 120.400 0.043 0.000 2.284 498 K HA 0.482 4.802 4.320 0.000 0.000 0.198 498 K C 2.364 179.021 176.600 0.095 0.000 1.048 498 K CA 1.005 57.325 56.287 0.056 0.000 0.987 498 K CB 0.271 32.799 32.500 0.046 0.000 0.800 498 K HN 0.621 nan 8.250 nan 0.000 0.486 499 A N 0.568 123.463 122.820 0.124 0.000 2.419 499 A HA 0.299 4.619 4.320 0.000 0.000 0.233 499 A C 0.991 178.806 177.584 0.384 0.000 1.217 499 A CA -0.007 52.157 52.037 0.212 0.000 0.944 499 A CB 0.309 19.404 19.000 0.158 0.000 1.025 499 A HN 0.247 nan 8.150 nan 0.000 0.524 500 G N -0.633 108.293 108.800 0.210 0.000 2.553 500 G HA2 0.576 4.536 3.960 0.000 0.000 0.278 500 G HA3 0.576 4.536 3.960 0.000 0.000 0.278 500 G C -0.060 174.710 174.900 -0.217 0.000 1.349 500 G CA 0.283 45.433 45.100 0.083 0.000 1.037 500 G HN 1.195 nan 8.290 nan 0.000 0.508 501 A N -1.639 120.857 122.820 -0.540 0.000 2.606 501 A HA 0.724 5.044 4.320 0.000 0.000 0.293 501 A C -0.646 176.705 177.584 -0.388 0.000 1.082 501 A CA -0.237 51.447 52.037 -0.588 0.000 0.685 501 A CB 1.604 19.925 19.000 -1.132 0.000 1.284 501 A HN 1.317 nan 8.150 nan 0.000 0.408 502 S N 0.016 115.609 115.700 -0.177 0.000 2.557 502 S HA 0.633 5.103 4.470 0.000 0.000 0.291 502 S C -1.581 173.066 174.600 0.078 0.000 1.116 502 S CA -0.409 57.763 58.200 -0.047 0.000 0.992 502 S CB 0.915 64.153 63.200 0.064 0.000 1.028 502 S HN 1.370 nan 8.310 nan 0.000 0.484 503 L N 6.231 127.578 121.223 0.207 0.000 2.296 503 L HA 0.750 5.090 4.340 0.000 0.000 0.286 503 L C -1.283 175.671 176.870 0.140 0.000 1.023 503 L CA -0.287 54.690 54.840 0.229 0.000 0.812 503 L CB 1.486 43.753 42.059 0.346 0.000 1.223 503 L HN 0.461 nan 8.230 nan 0.000 0.421 504 V N 6.086 125.996 119.914 -0.006 0.000 2.409 504 V HA 0.518 4.638 4.120 0.000 0.000 0.291 504 V C 0.562 176.389 176.094 -0.445 0.000 1.020 504 V CA -0.760 61.349 62.300 -0.319 0.000 0.848 504 V CB 1.477 32.805 31.823 -0.825 0.000 0.990 504 V HN 0.772 nan 8.190 nan 0.000 0.430 505 R N 4.669 124.782 120.500 -0.645 0.000 2.980 505 R HA 0.109 4.449 4.340 0.000 0.000 0.285 505 R C -1.552 173.992 176.300 -1.260 0.000 1.072 505 R CA -0.814 54.468 56.100 -1.363 0.000 1.203 505 R CB 0.094 29.790 30.300 -1.007 0.000 1.163 505 R HN 0.430 nan 8.270 nan 0.000 0.545 506 P HA -0.084 nan 4.420 nan 0.000 0.234 506 P C -0.362 176.514 177.300 -0.705 0.000 1.167 506 P CA 1.105 63.532 63.100 -1.121 0.000 0.763 506 P CB 0.163 31.029 31.700 -1.389 0.000 0.835 507 D N -3.058 116.917 120.400 -0.709 0.000 2.433 507 D HA 0.191 4.831 4.640 0.000 0.000 0.211 507 D C 1.274 177.399 176.300 -0.292 0.000 1.114 507 D CA 0.060 53.891 54.000 -0.283 0.000 0.837 507 D CB -0.596 40.222 40.800 0.031 0.000 0.984 507 D HN 0.103 nan 8.370 nan 0.000 0.505 508 G N 0.474 109.059 108.800 -0.358 0.000 2.141 508 G HA2 -0.202 3.758 3.960 0.000 0.000 0.242 508 G HA3 -0.202 3.758 3.960 0.000 0.000 0.242 508 G C -0.130 174.568 174.900 -0.338 0.000 0.982 508 G CA 0.046 44.954 45.100 -0.320 0.000 0.662 508 G HN 0.313 nan 8.290 nan 0.000 0.527 509 I N 0.948 121.335 120.570 -0.304 0.000 2.488 509 I HA 0.418 4.588 4.170 0.000 0.000 0.299 509 I C 0.946 176.946 176.117 -0.196 0.000 0.984 509 I CA -1.056 60.122 61.300 -0.203 0.000 1.250 509 I CB 1.553 39.516 38.000 -0.063 0.000 1.389 509 I HN -0.138 nan 8.210 nan 0.000 0.488 510 V N 5.717 125.562 119.914 -0.115 0.000 2.432 510 V HA 0.218 4.338 4.120 0.000 0.000 0.271 510 V C 1.182 177.302 176.094 0.044 0.000 1.046 510 V CA -0.065 62.211 62.300 -0.041 0.000 0.945 510 V CB 0.971 32.790 31.823 -0.008 0.000 0.992 510 V HN 0.993 nan 8.190 nan 0.000 0.471 511 A N 4.987 127.883 122.820 0.127 0.000 2.030 511 A HA 0.187 4.507 4.320 0.000 0.000 0.215 511 A C 0.351 178.127 177.584 0.320 0.000 1.164 511 A CA 0.430 52.614 52.037 0.245 0.000 0.697 511 A CB 0.106 19.340 19.000 0.390 0.000 0.827 511 A HN 0.913 nan 8.150 nan 0.000 0.457 512 W N -0.436 120.895 121.300 0.052 0.000 3.700 512 W HA 0.490 5.150 4.660 0.000 0.000 0.279 512 W C -1.174 175.338 176.519 -0.012 0.000 1.270 512 W CA -0.672 56.688 57.345 0.026 0.000 1.216 512 W CB 0.604 30.081 29.460 0.028 0.000 1.292 512 W HN 0.343 nan 8.180 nan 0.000 0.557 513 R N 2.366 122.258 120.500 -1.013 0.000 2.781 513 R HA 0.945 5.285 4.340 0.000 0.000 0.269 513 R C -1.532 173.877 176.300 -1.484 0.000 1.025 513 R CA -0.909 54.477 56.100 -1.189 0.000 0.914 513 R CB 2.271 32.281 30.300 -0.483 0.000 1.236 513 R HN 0.325 nan 8.270 nan 0.000 0.465 514 T N 0.143 114.081 114.554 -1.026 0.000 2.883 514 T HA 0.228 4.578 4.350 0.000 0.000 0.301 514 T C -0.941 173.606 174.700 -0.255 0.000 1.158 514 T CA -0.609 61.184 62.100 -0.512 0.000 1.007 514 T CB 1.718 70.422 68.868 -0.273 0.000 1.186 514 T HN 0.776 nan 8.240 nan 0.000 0.499 515 D N -0.687 119.647 120.400 -0.110 0.000 2.431 515 D HA 0.125 4.765 4.640 0.000 0.000 0.213 515 D C 0.486 176.805 176.300 0.033 0.000 1.130 515 D CA -0.261 53.715 54.000 -0.041 0.000 0.834 515 D CB 0.506 41.280 40.800 -0.043 0.000 0.985 515 D HN 0.799 nan 8.370 nan 0.000 0.504 516 E N -0.619 119.633 120.200 0.086 0.000 2.442 516 E HA 0.699 5.049 4.350 0.000 0.000 0.261 516 E C -1.099 175.664 176.600 0.272 0.000 0.935 516 E CA -1.493 54.991 56.400 0.141 0.000 0.856 516 E CB 1.073 30.834 29.700 0.102 0.000 1.571 516 E HN -0.048 nan 8.360 nan 0.000 0.431 517 A N 0.273 123.227 122.820 0.223 0.000 2.303 517 A HA 0.708 5.028 4.320 0.000 0.000 0.317 517 A C -0.170 177.510 177.584 0.160 0.000 1.149 517 A CA -0.053 52.111 52.037 0.212 0.000 0.822 517 A CB 0.895 19.929 19.000 0.056 0.000 1.131 517 A HN 0.678 nan 8.150 nan 0.000 0.493 518 A N 0.410 123.260 122.820 0.051 0.000 2.271 518 A HA 0.614 4.934 4.320 0.000 0.000 0.288 518 A C 1.386 178.932 177.584 -0.064 0.000 1.094 518 A CA 0.137 52.200 52.037 0.043 0.000 0.828 518 A CB 0.130 19.163 19.000 0.055 0.000 1.091 518 A HN 1.948 nan 8.150 nan 0.000 0.493 519 A N -0.175 122.634 122.820 -0.019 0.000 1.933 519 A HA 0.046 4.366 4.320 0.000 0.000 0.218 519 A C 0.769 178.302 177.584 -0.084 0.000 1.175 519 A CA 1.997 54.009 52.037 -0.041 0.000 0.628 519 A CB -0.135 18.858 19.000 -0.012 0.000 0.814 519 A HN 0.798 nan 8.150 nan 0.000 0.444 520 D N -2.238 118.104 120.400 -0.096 0.000 2.602 520 D HA 0.537 5.177 4.640 0.000 0.000 0.245 520 D C 0.504 176.704 176.300 -0.167 0.000 1.325 520 D CA 0.272 54.201 54.000 -0.119 0.000 0.952 520 D CB 1.598 42.358 40.800 -0.066 0.000 1.317 520 D HN 0.031 nan 8.370 nan 0.000 0.577 521 A N 3.198 125.834 122.820 -0.306 0.000 1.968 521 A HA 0.141 4.461 4.320 0.000 0.000 0.217 521 A C 1.980 179.506 177.584 -0.097 0.000 1.169 521 A CA 1.636 53.392 52.037 -0.469 0.000 0.638 521 A CB -0.199 18.281 19.000 -0.866 0.000 0.812 521 A HN 0.590 nan 8.150 nan 0.000 0.446 522 A N -0.809 121.962 122.820 -0.082 0.000 1.929 522 A HA -0.141 4.179 4.320 0.000 0.000 0.216 522 A C 2.159 179.723 177.584 -0.032 0.000 1.176 522 A CA 1.638 53.657 52.037 -0.030 0.000 0.628 522 A CB -0.476 18.500 19.000 -0.040 0.000 0.816 522 A HN 0.615 nan 8.150 nan 0.000 0.444 523 Q N -0.853 118.923 119.800 -0.040 0.000 2.123 523 Q HA -0.117 4.223 4.340 0.000 0.000 0.199 523 Q C 1.940 177.917 176.000 -0.038 0.000 0.966 523 Q CA 1.828 57.608 55.803 -0.038 0.000 0.845 523 Q CB -0.163 28.556 28.738 -0.033 0.000 0.907 523 Q HN 0.578 nan 8.270 nan 0.000 0.439 524 T N 1.101 115.647 114.554 -0.012 0.000 2.777 524 T HA -0.128 4.222 4.350 0.000 0.000 0.266 524 T C 1.597 176.218 174.700 -0.132 0.000 1.040 524 T CA 1.056 63.151 62.100 -0.008 0.000 1.141 524 T CB -0.175 68.777 68.868 0.140 0.000 0.868 524 T HN 0.204 nan 8.240 nan 0.000 0.444 525 L N 1.194 122.375 121.223 -0.070 0.000 2.156 525 L HA 0.100 4.440 4.340 0.000 0.000 0.208 525 L C 2.351 179.100 176.870 -0.201 0.000 1.095 525 L CA 1.666 56.399 54.840 -0.178 0.000 0.770 525 L CB -0.460 41.604 42.059 0.008 0.000 0.914 525 L HN 0.256 nan 8.230 nan 0.000 0.439 526 E N -1.098 119.022 120.200 -0.132 0.000 2.107 526 E HA -0.127 4.224 4.350 0.000 0.000 0.191 526 E C 2.065 178.578 176.600 -0.145 0.000 0.982 526 E CA 0.851 57.173 56.400 -0.130 0.000 0.809 526 E CB -0.275 29.373 29.700 -0.087 0.000 0.756 526 E HN 0.563 nan 8.360 nan 0.000 0.459 527 G N 0.631 109.347 108.800 -0.140 0.000 2.402 527 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 527 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 527 G C 1.638 176.433 174.900 -0.175 0.000 1.162 527 G CA 0.767 45.792 45.100 -0.125 0.000 0.777 527 G HN 0.209 nan 8.290 nan 0.000 0.539 528 V N 0.653 120.390 119.914 -0.295 0.000 2.295 528 V HA -0.097 4.023 4.120 0.000 0.000 0.246 528 V C 2.894 178.820 176.094 -0.280 0.000 1.049 528 V CA 1.453 63.515 62.300 -0.396 0.000 1.024 528 V CB -0.364 30.940 31.823 -0.866 0.000 0.648 528 V HN 0.329 nan 8.190 nan 0.000 0.447 529 L N -0.812 120.229 121.223 -0.302 0.000 2.046 529 L HA -0.166 4.174 4.340 0.000 0.000 0.208 529 L C 2.798 179.529 176.870 -0.232 0.000 1.077 529 L CA 1.581 56.229 54.840 -0.320 0.000 0.747 529 L CB -0.457 41.388 42.059 -0.358 0.000 0.896 529 L HN 0.220 nan 8.230 nan 0.000 0.432 530 R N -0.633 119.766 120.500 -0.169 0.000 2.091 530 R HA -0.229 4.111 4.340 0.000 0.000 0.238 530 R C 2.404 178.658 176.300 -0.076 0.000 1.136 530 R CA 1.726 57.760 56.100 -0.109 0.000 0.959 530 R CB -0.313 29.937 30.300 -0.084 0.000 0.856 530 R HN 0.298 nan 8.270 nan 0.000 0.437 531 R N 0.666 121.122 120.500 -0.073 0.000 2.061 531 R HA -0.119 4.221 4.340 0.000 0.000 0.230 531 R C 2.311 178.611 176.300 0.000 0.000 1.140 531 R CA 1.897 57.978 56.100 -0.031 0.000 0.940 531 R CB -0.275 30.008 30.300 -0.029 0.000 0.839 531 R HN 0.246 nan 8.270 nan 0.000 0.429 532 V N -1.024 118.895 119.914 0.008 0.000 2.759 532 V HA -0.060 4.060 4.120 0.000 0.000 0.256 532 V C 1.789 177.947 176.094 0.107 0.000 1.080 532 V CA 1.451 63.809 62.300 0.096 0.000 1.101 532 V CB -0.405 31.540 31.823 0.203 0.000 0.698 532 V HN 0.260 nan 8.190 nan 0.000 0.477 533 L N 0.488 121.724 121.223 0.021 0.000 2.592 533 L HA 0.270 4.610 4.340 0.000 0.000 0.227 533 L C 1.124 178.005 176.870 0.019 0.000 1.127 533 L CA 0.875 55.734 54.840 0.032 0.000 0.884 533 L CB -0.491 41.533 42.059 -0.058 0.000 1.065 533 L HN 0.556 nan 8.230 nan 0.000 0.457 534 D N 1.015 121.423 120.400 0.012 0.000 2.723 534 D HA -0.189 4.451 4.640 0.000 0.000 0.236 534 D C 0.257 176.557 176.300 -0.001 0.000 1.138 534 D CA 0.630 54.636 54.000 0.010 0.000 0.676 534 D CB -0.075 40.737 40.800 0.021 0.000 1.069 534 D HN 0.272 nan 8.370 nan 0.000 0.430 535 R N 0.000 120.489 120.500 -0.018 0.000 2.786 535 R HA 0.000 4.340 4.340 0.000 0.000 0.208 535 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 535 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 535 R HN 0.000 nan 8.270 nan 0.000 0.535