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 1ee0_1_B DATA FIRST_RESID 20 DATA SEQUENCE GLATILAIGT ATPPNCVAQA DYADYYFRVT KSEHMVDLKE KFKRICEKTA DATA SEQUENCE IKKRYLALTE DYLQENPTMC EFMAPSLNAR QDLVVTGVPM LGKEAAVKAI DATA SEQUENCE DEWGLPKSKI THLIFCTTAG VDMPGADYQL VKLLGLSPSV KRYMLYQQGX DATA SEQUENCE AAGGTVLRLA KDLAENNKGS RVLIVCSEIT AILFHGPNEN HLDSLVAQAL DATA SEQUENCE FGDGAAALIV GSGPHLAVER PIFEIVSTDQ TILPDTEKAM KLHLREGGLT DATA SEQUENCE FQLHRDVPLM VAKNIENAAE KALSPLGITD WNSVFWMVHP GGRAILDQVE DATA SEQUENCE RKLNLKEDKL RASRHVLSEY GNLISACVLF IIDEVRKRSM AEGKSTTGEG DATA SEQUENCE LDCGVLFGFG PGMTVETVVL RSVRV 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 20 G HA2 0.000 nan 3.960 nan 0.000 0.244 20 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 20 G C 0.000 174.878 174.900 -0.036 0.000 0.946 20 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 21 L N 1.136 122.339 121.223 -0.033 0.000 2.461 21 L HA 0.462 4.803 4.340 0.002 0.000 0.272 21 L C 1.428 178.274 176.870 -0.041 0.000 1.197 21 L CA -0.260 54.559 54.840 -0.036 0.000 0.836 21 L CB 0.831 42.874 42.059 -0.027 0.000 1.105 21 L HN 0.796 nan 8.230 nan 0.000 0.477 22 A N 2.759 125.548 122.820 -0.052 0.000 2.567 22 A HA 0.313 4.634 4.320 0.002 0.000 0.240 22 A C 0.152 177.710 177.584 -0.043 0.000 1.053 22 A CA 0.248 52.248 52.037 -0.061 0.000 0.755 22 A CB -0.274 18.677 19.000 -0.080 0.000 0.978 22 A HN 0.707 nan 8.150 nan 0.000 0.507 23 T N 3.075 117.604 114.554 -0.042 0.000 2.876 23 T HA 0.480 4.831 4.350 0.002 0.000 0.289 23 T C -0.013 174.669 174.700 -0.030 0.000 1.014 23 T CA -0.250 61.839 62.100 -0.019 0.000 0.986 23 T CB 1.054 69.911 68.868 -0.019 0.000 1.021 23 T HN 0.467 nan 8.240 nan 0.000 0.458 24 I N 3.488 124.061 120.570 0.005 0.000 2.452 24 I HA 0.142 4.313 4.170 0.002 0.000 0.287 24 I C 0.831 176.932 176.117 -0.027 0.000 1.079 24 I CA 0.031 61.327 61.300 -0.007 0.000 1.387 24 I CB 0.615 38.660 38.000 0.075 0.000 1.404 24 I HN 0.567 nan 8.210 nan 0.000 0.522 25 L N 6.655 127.838 121.223 -0.067 0.000 2.638 25 L HA 0.501 4.842 4.340 0.002 0.000 0.232 25 L C 0.571 177.441 176.870 -0.001 0.000 1.099 25 L CA 0.004 54.829 54.840 -0.026 0.000 0.883 25 L CB 0.090 42.137 42.059 -0.021 0.000 1.136 25 L HN 0.703 nan 8.230 nan 0.000 0.492 26 A N 0.613 123.404 122.820 -0.048 0.000 2.594 26 A HA 0.739 5.061 4.320 0.002 0.000 0.296 26 A C -1.462 176.092 177.584 -0.050 0.000 1.056 26 A CA -0.334 51.693 52.037 -0.016 0.000 0.693 26 A CB 1.227 20.256 19.000 0.048 0.000 1.278 26 A HN 0.033 nan 8.150 nan 0.000 0.408 27 I N 1.216 121.760 120.570 -0.044 0.000 2.533 27 I HA 0.650 4.821 4.170 0.002 0.000 0.290 27 I C 0.457 176.515 176.117 -0.098 0.000 1.056 27 I CA -0.523 60.732 61.300 -0.076 0.000 1.057 27 I CB 2.567 40.525 38.000 -0.070 0.000 1.240 27 I HN 0.843 nan 8.210 nan 0.000 0.423 28 G N 2.829 111.552 108.800 -0.127 0.000 2.571 28 G HA2 0.765 4.726 3.960 0.002 0.000 0.304 28 G HA3 0.765 4.726 3.960 0.002 0.000 0.304 28 G C -0.870 173.886 174.900 -0.240 0.000 1.314 28 G CA -0.496 44.517 45.100 -0.146 0.000 0.975 28 G HN 0.555 nan 8.290 nan 0.000 0.485 29 T N -1.935 112.436 114.554 -0.305 0.000 2.916 29 T HA 0.886 5.237 4.350 0.002 0.000 0.292 29 T C -0.331 174.243 174.700 -0.210 0.000 1.055 29 T CA -0.450 61.378 62.100 -0.454 0.000 1.009 29 T CB 2.164 70.377 68.868 -1.093 0.000 1.118 29 T HN 1.809 nan 8.240 nan 0.000 0.497 30 A N 1.130 123.901 122.820 -0.081 0.000 2.606 30 A HA 0.945 5.266 4.320 0.002 0.000 0.293 30 A C -0.231 177.394 177.584 0.068 0.000 1.082 30 A CA -0.709 51.322 52.037 -0.010 0.000 0.685 30 A CB 1.506 20.504 19.000 -0.004 0.000 1.284 30 A HN 1.626 nan 8.150 nan 0.000 0.408 31 T N -0.848 113.695 114.554 -0.018 0.000 2.883 31 T HA 0.807 5.158 4.350 0.002 0.000 0.301 31 T C -3.178 171.501 174.700 -0.036 0.000 1.158 31 T CA -1.834 60.240 62.100 -0.042 0.000 1.007 31 T CB 1.299 69.984 68.868 -0.305 0.000 1.186 31 T HN 0.379 nan 8.240 nan 0.000 0.499 32 P HA 0.175 nan 4.420 nan 0.000 0.268 32 P C -1.651 175.717 177.300 0.114 0.000 1.208 32 P CA -1.241 61.909 63.100 0.084 0.000 0.777 32 P CB 0.169 31.942 31.700 0.121 0.000 0.875 33 P HA -0.141 nan 4.420 nan 0.000 0.217 33 P C 0.266 177.694 177.300 0.213 0.000 1.151 33 P CA 1.201 64.379 63.100 0.131 0.000 0.828 33 P CB -0.090 31.658 31.700 0.080 0.000 0.788 34 N N 0.471 119.273 118.700 0.171 0.000 2.438 34 N HA 0.012 4.753 4.740 0.002 0.000 0.267 34 N C -1.201 174.388 175.510 0.131 0.000 1.222 34 N CA -0.102 53.021 53.050 0.121 0.000 0.930 34 N CB -0.443 38.087 38.487 0.072 0.000 1.083 34 N HN 0.003 nan 8.380 nan 0.000 0.476 35 C N 4.624 123.935 119.300 0.019 0.000 2.351 35 C HA 0.706 5.167 4.460 0.002 0.000 0.326 35 C C -0.704 174.181 174.990 -0.176 0.000 1.272 35 C CA -0.501 58.387 59.018 -0.217 0.000 1.650 35 C CB -0.196 27.370 27.740 -0.289 0.000 2.257 35 C HN 0.522 nan 8.230 nan 0.000 0.505 36 V N 5.972 125.779 119.914 -0.180 0.000 2.448 36 V HA 0.665 4.786 4.120 0.002 0.000 0.295 36 V C 0.655 176.697 176.094 -0.088 0.000 1.025 36 V CA -0.431 61.809 62.300 -0.100 0.000 0.859 36 V CB 1.392 33.213 31.823 -0.004 0.000 0.988 36 V HN 1.145 nan 8.190 nan 0.000 0.431 37 A N 2.901 125.685 122.820 -0.059 0.000 2.425 37 A HA 0.342 4.663 4.320 0.002 0.000 0.249 37 A C 1.049 178.634 177.584 0.001 0.000 1.084 37 A CA -0.039 51.963 52.037 -0.059 0.000 0.781 37 A CB 0.537 19.509 19.000 -0.047 0.000 1.019 37 A HN 0.907 nan 8.150 nan 0.000 0.490 38 Q N 2.380 122.155 119.800 -0.042 0.000 2.119 38 Q HA -0.082 4.259 4.340 0.002 0.000 0.201 38 Q C 1.972 177.979 176.000 0.011 0.000 0.972 38 Q CA 2.369 58.157 55.803 -0.024 0.000 0.847 38 Q CB -0.387 28.293 28.738 -0.097 0.000 0.903 38 Q HN 0.932 nan 8.270 nan 0.000 0.433 39 A N 0.202 123.016 122.820 -0.011 0.000 2.076 39 A HA -0.162 4.159 4.320 0.002 0.000 0.220 39 A C 1.187 178.792 177.584 0.035 0.000 1.160 39 A CA 1.802 53.837 52.037 -0.004 0.000 0.653 39 A CB -0.298 18.692 19.000 -0.016 0.000 0.801 39 A HN 0.403 nan 8.150 nan 0.000 0.455 40 D N -2.907 117.536 120.400 0.071 0.000 2.379 40 D HA 0.073 4.714 4.640 0.002 0.000 0.208 40 D C 1.203 177.617 176.300 0.190 0.000 1.065 40 D CA 0.099 54.162 54.000 0.106 0.000 0.848 40 D CB -0.210 40.638 40.800 0.081 0.000 0.949 40 D HN 0.546 nan 8.370 nan 0.000 0.509 41 Y N 2.224 122.591 120.300 0.112 0.000 2.181 41 Y HA -0.161 4.390 4.550 0.002 0.000 0.288 41 Y C 2.299 178.450 175.900 0.418 0.000 1.146 41 Y CA 1.626 59.873 58.100 0.245 0.000 1.164 41 Y CB -0.101 38.441 38.460 0.137 0.000 0.982 41 Y HN -0.028 nan 8.280 nan 0.000 0.515 42 A N -0.035 122.968 122.820 0.305 0.000 1.902 42 A HA -0.206 4.115 4.320 0.002 0.000 0.217 42 A C 1.965 179.822 177.584 0.456 0.000 1.181 42 A CA 2.072 54.414 52.037 0.509 0.000 0.623 42 A CB -0.816 18.351 19.000 0.277 0.000 0.818 42 A HN 0.499 nan 8.150 nan 0.000 0.443 43 D N -1.722 118.831 120.400 0.256 0.000 2.117 43 D HA -0.147 4.494 4.640 0.002 0.000 0.197 43 D C 1.709 178.127 176.300 0.196 0.000 0.987 43 D CA 1.620 55.743 54.000 0.206 0.000 0.829 43 D CB -0.493 40.391 40.800 0.139 0.000 0.961 43 D HN 0.602 nan 8.370 nan 0.000 0.460 44 Y N 0.470 120.799 120.300 0.050 0.000 2.128 44 Y HA -0.316 4.235 4.550 0.002 0.000 0.284 44 Y C 2.306 178.197 175.900 -0.016 0.000 1.154 44 Y CA 1.488 59.583 58.100 -0.008 0.000 1.149 44 Y CB -0.780 37.639 38.460 -0.068 0.000 0.976 44 Y HN 0.001 nan 8.280 nan 0.000 0.505 45 Y N -0.426 119.659 120.300 -0.357 0.000 2.163 45 Y HA -0.225 4.326 4.550 0.002 0.000 0.288 45 Y C 2.002 177.697 175.900 -0.341 0.000 1.136 45 Y CA 1.890 59.724 58.100 -0.445 0.000 1.147 45 Y CB -1.039 37.226 38.460 -0.325 0.000 0.987 45 Y HN 0.140 nan 8.280 nan 0.000 0.509 46 F N 0.331 120.174 119.950 -0.179 0.000 2.216 46 F HA -0.143 4.385 4.527 0.002 0.000 0.300 46 F C 2.741 178.409 175.800 -0.219 0.000 1.085 46 F CA 1.898 59.754 58.000 -0.239 0.000 1.326 46 F CB -0.424 38.540 39.000 -0.059 0.000 1.027 46 F HN -0.008 nan 8.300 nan 0.000 0.497 47 R N 0.628 121.095 120.500 -0.055 0.000 2.055 47 R HA -0.115 4.226 4.340 0.002 0.000 0.228 47 R C 2.291 178.488 176.300 -0.171 0.000 1.143 47 R CA 1.930 57.988 56.100 -0.070 0.000 0.945 47 R CB -0.574 29.712 30.300 -0.024 0.000 0.841 47 R HN 0.233 nan 8.270 nan 0.000 0.429 48 V N -0.564 119.157 119.914 -0.322 0.000 2.594 48 V HA -0.127 3.994 4.120 0.002 0.000 0.253 48 V C 1.967 177.928 176.094 -0.222 0.000 1.069 48 V CA 2.065 64.190 62.300 -0.292 0.000 1.082 48 V CB -1.191 30.371 31.823 -0.436 0.000 0.680 48 V HN 0.568 nan 8.190 nan 0.000 0.469 49 T N -3.036 111.316 114.554 -0.336 0.000 3.169 49 T HA 0.176 4.527 4.350 0.002 0.000 0.250 49 T C 0.750 175.335 174.700 -0.192 0.000 1.111 49 T CA 0.169 62.096 62.100 -0.288 0.000 1.010 49 T CB -0.641 67.883 68.868 -0.573 0.000 0.984 49 T HN 0.661 nan 8.240 nan 0.000 0.537 50 K N 0.460 120.781 120.400 -0.132 0.000 3.150 50 K HA -0.130 4.191 4.320 0.002 0.000 0.267 50 K C 0.131 176.762 176.600 0.051 0.000 1.028 50 K CA 0.561 56.833 56.287 -0.025 0.000 0.753 50 K CB -2.105 30.392 32.500 -0.005 0.000 1.288 50 K HN 0.378 nan 8.250 nan 0.000 0.473 51 S N 0.042 115.729 115.700 -0.021 0.000 2.749 51 S HA 0.060 4.531 4.470 0.002 0.000 0.246 51 S C 0.997 175.631 174.600 0.057 0.000 1.023 51 S CA -0.599 57.560 58.200 -0.069 0.000 1.012 51 S CB 0.477 63.463 63.200 -0.356 0.000 0.942 51 S HN 0.243 nan 8.310 nan 0.000 0.531 52 E N 1.758 122.054 120.200 0.160 0.000 2.267 52 E HA -0.192 4.160 4.350 0.002 0.000 0.197 52 E C 1.581 178.228 176.600 0.079 0.000 0.998 52 E CA 0.994 57.476 56.400 0.137 0.000 0.830 52 E CB -0.340 29.428 29.700 0.113 0.000 0.751 52 E HN 0.794 nan 8.360 nan 0.000 0.491 53 H N -0.437 118.672 119.070 0.064 0.000 2.546 53 H HA 0.046 4.603 4.556 0.002 0.000 0.277 53 H C 0.761 176.114 175.328 0.043 0.000 1.004 53 H CA 0.263 56.334 56.048 0.037 0.000 1.231 53 H CB -0.477 29.300 29.762 0.025 0.000 1.382 53 H HN 0.096 nan 8.280 nan 0.000 0.580 54 M N 2.073 121.451 119.600 -0.371 0.000 3.561 54 M HA 0.116 4.597 4.480 0.002 0.000 0.230 54 M C 1.330 177.540 176.300 -0.150 0.000 1.387 54 M CA -0.331 54.862 55.300 -0.178 0.000 1.570 54 M CB 1.488 34.034 32.600 -0.091 0.000 1.057 54 M HN 0.006 nan 8.290 nan 0.000 0.607 55 V N 1.563 121.403 119.914 -0.124 0.000 2.407 55 V HA -0.237 3.884 4.120 0.002 0.000 0.248 55 V C 1.655 177.651 176.094 -0.164 0.000 1.055 55 V CA 2.347 64.554 62.300 -0.156 0.000 1.049 55 V CB -0.028 31.745 31.823 -0.083 0.000 0.662 55 V HN 0.669 nan 8.190 nan 0.000 0.455 56 D N -0.276 120.062 120.400 -0.102 0.000 2.123 56 D HA -0.120 4.521 4.640 0.002 0.000 0.200 56 D C 1.978 178.229 176.300 -0.082 0.000 0.976 56 D CA 1.325 55.278 54.000 -0.078 0.000 0.831 56 D CB -0.160 40.614 40.800 -0.044 0.000 0.974 56 D HN 0.429 nan 8.370 nan 0.000 0.469 57 L N 1.315 122.497 121.223 -0.068 0.000 2.131 57 L HA -0.145 4.196 4.340 0.002 0.000 0.210 57 L C 2.221 179.041 176.870 -0.084 0.000 1.092 57 L CA 1.476 56.321 54.840 0.008 0.000 0.759 57 L CB -0.265 41.864 42.059 0.116 0.000 0.903 57 L HN -0.118 nan 8.230 nan 0.000 0.435 58 K N -0.563 119.508 120.400 -0.548 0.000 2.057 58 K HA -0.181 4.140 4.320 0.002 0.000 0.206 58 K C 1.906 178.328 176.600 -0.297 0.000 1.050 58 K CA 1.538 57.238 56.287 -0.978 0.000 0.935 58 K CB -0.034 31.741 32.500 -1.209 0.000 0.715 58 K HN 0.409 nan 8.250 nan 0.000 0.439 59 E N 0.595 120.677 120.200 -0.197 0.000 2.051 59 E HA -0.226 4.126 4.350 0.002 0.000 0.192 59 E C 2.046 178.627 176.600 -0.031 0.000 0.991 59 E CA 1.210 57.554 56.400 -0.094 0.000 0.799 59 E CB -0.036 29.617 29.700 -0.078 0.000 0.748 59 E HN 0.252 nan 8.360 nan 0.000 0.449 60 K N 0.458 120.858 120.400 -0.000 0.000 2.032 60 K HA -0.205 4.116 4.320 0.002 0.000 0.209 60 K C 2.066 178.742 176.600 0.126 0.000 1.048 60 K CA 1.311 57.628 56.287 0.050 0.000 0.927 60 K CB -0.237 32.301 32.500 0.063 0.000 0.712 60 K HN 0.042 nan 8.250 nan 0.000 0.441 61 F N 2.156 122.123 119.950 0.028 0.000 2.216 61 F HA -0.124 4.404 4.527 0.002 0.000 0.300 61 F C 1.857 177.694 175.800 0.062 0.000 1.085 61 F CA 1.410 59.469 58.000 0.098 0.000 1.326 61 F CB 0.000 39.187 39.000 0.312 0.000 1.027 61 F HN -0.010 nan 8.300 nan 0.000 0.497 62 K N -0.157 120.227 120.400 -0.027 0.000 2.057 62 K HA -0.174 4.147 4.320 0.002 0.000 0.207 62 K C 2.269 178.795 176.600 -0.124 0.000 1.049 62 K CA 1.450 57.669 56.287 -0.113 0.000 0.931 62 K CB -0.202 32.262 32.500 -0.059 0.000 0.714 62 K HN 0.270 nan 8.250 nan 0.000 0.440 63 R N 0.608 121.064 120.500 -0.074 0.000 2.073 63 R HA -0.105 4.236 4.340 0.002 0.000 0.234 63 R C 2.401 178.644 176.300 -0.094 0.000 1.134 63 R CA 1.395 57.454 56.100 -0.068 0.000 0.952 63 R CB -0.483 29.795 30.300 -0.038 0.000 0.850 63 R HN 0.164 nan 8.270 nan 0.000 0.433 64 I N 0.318 120.831 120.570 -0.095 0.000 2.163 64 I HA -0.386 3.785 4.170 0.002 0.000 0.243 64 I C 2.533 178.531 176.117 -0.199 0.000 1.085 64 I CA 1.257 62.492 61.300 -0.109 0.000 1.347 64 I CB -0.334 37.656 38.000 -0.017 0.000 1.044 64 I HN 0.270 nan 8.210 nan 0.000 0.408 65 C N 0.193 119.289 119.300 -0.339 0.000 2.413 65 C HA -0.177 4.284 4.460 0.002 0.000 0.276 65 C C 2.829 177.705 174.990 -0.191 0.000 1.248 65 C CA 0.878 59.704 59.018 -0.319 0.000 1.742 65 C CB -1.008 26.489 27.740 -0.405 0.000 2.017 65 C HN 0.527 nan 8.230 nan 0.000 0.481 66 E N 1.159 121.268 120.200 -0.152 0.000 2.153 66 E HA -0.185 4.166 4.350 0.002 0.000 0.194 66 E C 1.886 178.430 176.600 -0.094 0.000 0.988 66 E CA 1.205 57.542 56.400 -0.105 0.000 0.811 66 E CB -0.181 29.469 29.700 -0.084 0.000 0.746 66 E HN 0.527 nan 8.360 nan 0.000 0.466 67 K N -0.034 120.306 120.400 -0.100 0.000 2.365 67 K HA -0.009 4.312 4.320 0.002 0.000 0.197 67 K C 2.107 178.651 176.600 -0.093 0.000 1.042 67 K CA 1.161 57.397 56.287 -0.084 0.000 0.987 67 K CB -0.156 32.298 32.500 -0.076 0.000 0.779 67 K HN 0.281 nan 8.250 nan 0.000 0.484 68 T N -1.233 113.251 114.554 -0.117 0.000 2.962 68 T HA 0.027 4.378 4.350 0.002 0.000 0.270 68 T C 1.171 175.806 174.700 -0.109 0.000 1.088 68 T CA 0.839 62.863 62.100 -0.127 0.000 1.127 68 T CB -0.263 68.507 68.868 -0.163 0.000 0.883 68 T HN 0.194 nan 8.240 nan 0.000 0.493 69 A N 0.482 123.245 122.820 -0.095 0.000 2.832 69 A HA -0.114 4.207 4.320 0.002 0.000 0.280 69 A C 0.269 177.799 177.584 -0.090 0.000 1.464 69 A CA 0.846 52.835 52.037 -0.079 0.000 0.804 69 A CB -2.686 16.278 19.000 -0.060 0.000 1.020 69 A HN 0.733 nan 8.150 nan 0.000 0.563 70 I N -0.914 119.589 120.570 -0.110 0.000 2.354 70 I HA 0.286 4.458 4.170 0.002 0.000 0.292 70 I C 1.104 177.145 176.117 -0.126 0.000 0.989 70 I CA -0.303 60.923 61.300 -0.124 0.000 1.188 70 I CB 1.673 39.585 38.000 -0.146 0.000 1.342 70 I HN 0.387 nan 8.210 nan 0.000 0.457 71 K N 6.219 126.537 120.400 -0.137 0.000 2.128 71 K HA 0.096 4.417 4.320 0.002 0.000 0.202 71 K C 0.105 176.613 176.600 -0.153 0.000 1.050 71 K CA 0.939 57.145 56.287 -0.135 0.000 0.966 71 K CB 0.457 32.870 32.500 -0.144 0.000 0.759 71 K HN 0.651 nan 8.250 nan 0.000 0.454 72 K N -0.914 119.367 120.400 -0.197 0.000 2.578 72 K HA 0.442 4.763 4.320 0.002 0.000 0.287 72 K C -1.482 174.953 176.600 -0.275 0.000 1.010 72 K CA -1.111 55.028 56.287 -0.246 0.000 0.889 72 K CB 1.846 34.155 32.500 -0.318 0.000 1.514 72 K HN -0.164 nan 8.250 nan 0.000 0.424 73 R N 0.617 120.931 120.500 -0.310 0.000 2.626 73 R HA 0.339 4.680 4.340 0.002 0.000 0.274 73 R C -1.646 174.487 176.300 -0.278 0.000 1.031 73 R CA -0.696 55.274 56.100 -0.216 0.000 0.898 73 R CB 1.574 31.797 30.300 -0.129 0.000 1.222 73 R HN 0.511 nan 8.270 nan 0.000 0.455 74 Y N 2.614 122.946 120.300 0.053 0.000 2.313 74 Y HA 0.514 5.065 4.550 0.002 0.000 0.332 74 Y C 0.022 175.964 175.900 0.069 0.000 1.071 74 Y CA -0.526 57.615 58.100 0.068 0.000 1.169 74 Y CB 1.059 39.586 38.460 0.113 0.000 1.192 74 Y HN 0.192 nan 8.280 nan 0.000 0.487 75 L N 2.211 123.550 121.223 0.193 0.000 2.436 75 L HA 0.523 4.864 4.340 0.002 0.000 0.268 75 L C 0.581 177.519 176.870 0.113 0.000 0.974 75 L CA -0.766 54.161 54.840 0.145 0.000 0.826 75 L CB 2.190 44.333 42.059 0.141 0.000 1.291 75 L HN 0.788 nan 8.230 nan 0.000 0.406 76 A N 3.483 126.353 122.820 0.083 0.000 2.016 76 A HA 0.105 4.427 4.320 0.002 0.000 0.217 76 A C 0.920 178.498 177.584 -0.010 0.000 1.162 76 A CA 0.498 52.555 52.037 0.033 0.000 0.662 76 A CB 0.030 19.035 19.000 0.008 0.000 0.812 76 A HN 0.585 nan 8.150 nan 0.000 0.450 77 L N 2.499 123.721 121.223 -0.001 0.000 2.477 77 L HA 0.137 4.478 4.340 0.002 0.000 0.272 77 L C 0.587 177.481 176.870 0.041 0.000 1.157 77 L CA 0.100 54.923 54.840 -0.028 0.000 0.889 77 L CB 0.609 42.638 42.059 -0.050 0.000 1.158 77 L HN 0.528 nan 8.230 nan 0.000 0.473 78 T N -0.307 114.284 114.554 0.062 0.000 2.948 78 T HA 0.274 4.625 4.350 0.002 0.000 0.285 78 T C 0.854 175.640 174.700 0.144 0.000 1.019 78 T CA -0.845 61.321 62.100 0.110 0.000 1.013 78 T CB 1.601 70.528 68.868 0.099 0.000 1.117 78 T HN 0.605 nan 8.240 nan 0.000 0.533 79 E N 0.184 120.488 120.200 0.175 0.000 2.110 79 E HA -0.158 4.193 4.350 0.002 0.000 0.193 79 E C 1.274 177.931 176.600 0.094 0.000 0.988 79 E CA 1.248 57.745 56.400 0.161 0.000 0.804 79 E CB -0.063 29.755 29.700 0.195 0.000 0.745 79 E HN 0.629 nan 8.360 nan 0.000 0.458 80 D N -0.242 120.219 120.400 0.102 0.000 2.117 80 D HA -0.150 4.491 4.640 0.002 0.000 0.198 80 D C 1.591 177.939 176.300 0.080 0.000 0.982 80 D CA 0.796 54.844 54.000 0.079 0.000 0.828 80 D CB -0.230 40.622 40.800 0.086 0.000 0.967 80 D HN 0.161 nan 8.370 nan 0.000 0.464 81 Y N 0.920 121.217 120.300 -0.005 0.000 2.181 81 Y HA -0.083 4.468 4.550 0.002 0.000 0.288 81 Y C 2.112 177.989 175.900 -0.039 0.000 1.146 81 Y CA 1.149 59.236 58.100 -0.021 0.000 1.164 81 Y CB -0.213 38.230 38.460 -0.028 0.000 0.982 81 Y HN -0.051 nan 8.280 nan 0.000 0.515 82 L N -0.430 120.811 121.223 0.030 0.000 2.093 82 L HA -0.264 4.077 4.340 0.002 0.000 0.208 82 L C 2.354 179.179 176.870 -0.075 0.000 1.085 82 L CA 1.495 56.302 54.840 -0.055 0.000 0.755 82 L CB -0.518 41.495 42.059 -0.076 0.000 0.904 82 L HN 0.297 nan 8.230 nan 0.000 0.435 83 Q N -0.269 119.500 119.800 -0.053 0.000 2.119 83 Q HA -0.200 4.141 4.340 0.002 0.000 0.201 83 Q C 1.904 177.854 176.000 -0.084 0.000 0.972 83 Q CA 1.298 57.071 55.803 -0.050 0.000 0.847 83 Q CB 0.019 28.744 28.738 -0.021 0.000 0.903 83 Q HN 0.555 nan 8.270 nan 0.000 0.433 84 E N 0.312 120.431 120.200 -0.135 0.000 2.285 84 E HA -0.002 4.350 4.350 0.002 0.000 0.194 84 E C 0.087 176.546 176.600 -0.236 0.000 0.997 84 E CA 0.309 56.600 56.400 -0.181 0.000 0.845 84 E CB 0.320 29.884 29.700 -0.227 0.000 0.782 84 E HN 0.250 nan 8.360 nan 0.000 0.491 85 N N 0.920 119.456 118.700 -0.273 0.000 2.791 85 N HA 0.109 4.850 4.740 0.002 0.000 0.265 85 N C -2.333 173.109 175.510 -0.114 0.000 1.580 85 N CA -0.919 51.992 53.050 -0.232 0.000 0.809 85 N CB 1.441 39.693 38.487 -0.393 0.000 1.178 85 N HN -0.006 nan 8.380 nan 0.000 0.499 86 P HA -0.076 nan 4.420 nan 0.000 0.218 86 P C 1.491 178.792 177.300 0.002 0.000 1.149 86 P CA 1.127 64.209 63.100 -0.030 0.000 0.817 86 P CB 0.332 32.016 31.700 -0.027 0.000 0.785 87 T N -0.748 113.803 114.554 -0.004 0.000 2.849 87 T HA -0.113 4.238 4.350 0.002 0.000 0.270 87 T C 1.661 176.391 174.700 0.050 0.000 1.066 87 T CA 1.121 63.231 62.100 0.016 0.000 1.130 87 T CB -0.701 68.167 68.868 -0.000 0.000 0.864 87 T HN 0.068 nan 8.240 nan 0.000 0.481 88 M N -0.414 119.224 119.600 0.063 0.000 2.374 88 M HA -0.051 4.431 4.480 0.002 0.000 0.264 88 M C 2.068 178.518 176.300 0.250 0.000 1.067 88 M CA 0.936 56.320 55.300 0.139 0.000 1.103 88 M CB -0.223 32.449 32.600 0.121 0.000 1.402 88 M HN 0.349 nan 8.290 nan 0.000 0.444 89 C N 0.134 119.546 119.300 0.186 0.000 2.780 89 C HA 0.095 4.556 4.460 0.002 0.000 0.267 89 C C 0.591 175.638 174.990 0.095 0.000 1.266 89 C CA -0.269 58.861 59.018 0.187 0.000 1.709 89 C CB -1.022 26.778 27.740 0.101 0.000 1.975 89 C HN 0.397 nan 8.230 nan 0.000 0.582 90 E N 0.731 120.985 120.200 0.091 0.000 2.081 90 E HA 0.231 4.582 4.350 0.002 0.000 0.281 90 E C -0.546 176.124 176.600 0.117 0.000 0.986 90 E CA -0.470 55.986 56.400 0.093 0.000 0.796 90 E CB 0.516 30.253 29.700 0.063 0.000 1.085 90 E HN 0.273 nan 8.360 nan 0.000 0.398 91 F N 4.765 124.723 119.950 0.014 0.000 2.549 91 F HA -0.178 4.350 4.527 0.002 0.000 0.400 91 F C 0.809 176.604 175.800 -0.009 0.000 1.011 91 F CA 0.647 58.644 58.000 -0.005 0.000 1.148 91 F CB 0.166 39.142 39.000 -0.040 0.000 0.993 91 F HN 0.598 nan 8.300 nan 0.000 0.540 92 M N 3.027 122.354 119.600 -0.455 0.000 2.818 92 M HA -0.251 4.230 4.480 0.002 0.000 0.194 92 M C 0.213 176.460 176.300 -0.087 0.000 0.586 92 M CA 1.039 56.154 55.300 -0.308 0.000 0.664 92 M CB -2.636 29.809 32.600 -0.259 0.000 2.418 92 M HN 0.617 nan 8.290 nan 0.000 0.517 93 A N 0.846 123.646 122.820 -0.034 0.000 2.332 93 A HA 0.639 4.961 4.320 0.002 0.000 0.258 93 A C -1.815 175.765 177.584 -0.007 0.000 1.087 93 A CA -0.823 51.213 52.037 -0.002 0.000 0.802 93 A CB -0.108 18.902 19.000 0.018 0.000 1.042 93 A HN 0.234 nan 8.150 nan 0.000 0.489 94 P HA 0.152 nan 4.420 nan 0.000 0.271 94 P C 0.136 177.439 177.300 0.005 0.000 1.226 94 P CA 0.378 63.476 63.100 -0.002 0.000 0.765 94 P CB 0.969 32.667 31.700 -0.003 0.000 0.835 95 S N 1.109 116.816 115.700 0.012 0.000 2.760 95 S HA 0.019 4.491 4.470 0.002 0.000 0.263 95 S C 1.119 175.738 174.600 0.031 0.000 1.007 95 S CA -0.305 57.909 58.200 0.024 0.000 1.358 95 S CB -0.798 62.426 63.200 0.040 0.000 1.228 95 S HN 0.190 nan 8.310 nan 0.000 0.684 96 L N 3.354 124.589 121.223 0.020 0.000 2.012 96 L HA -0.018 4.324 4.340 0.002 0.000 0.210 96 L C 1.845 178.729 176.870 0.023 0.000 1.073 96 L CA 2.166 57.017 54.840 0.017 0.000 0.748 96 L CB -1.044 41.016 42.059 0.002 0.000 0.891 96 L HN 0.277 nan 8.230 nan 0.000 0.431 97 N N 0.174 118.885 118.700 0.018 0.000 2.104 97 N HA -0.176 4.566 4.740 0.002 0.000 0.190 97 N C 1.837 177.379 175.510 0.053 0.000 1.024 97 N CA 1.679 54.742 53.050 0.023 0.000 0.853 97 N CB -0.645 37.850 38.487 0.012 0.000 1.008 97 N HN 0.551 nan 8.380 nan 0.000 0.424 98 A N 1.380 124.239 122.820 0.065 0.000 1.902 98 A HA -0.103 4.218 4.320 0.002 0.000 0.217 98 A C 2.271 179.992 177.584 0.228 0.000 1.181 98 A CA 1.225 53.342 52.037 0.134 0.000 0.623 98 A CB -0.402 18.636 19.000 0.062 0.000 0.818 98 A HN 0.239 nan 8.150 nan 0.000 0.443 99 R N -0.689 119.892 120.500 0.135 0.000 2.073 99 R HA -0.126 4.215 4.340 0.002 0.000 0.234 99 R C 2.489 178.820 176.300 0.052 0.000 1.134 99 R CA 1.543 57.700 56.100 0.095 0.000 0.952 99 R CB -0.343 29.987 30.300 0.050 0.000 0.850 99 R HN 0.544 nan 8.270 nan 0.000 0.433 100 Q N 0.644 120.467 119.800 0.038 0.000 2.124 100 Q HA -0.175 4.167 4.340 0.002 0.000 0.202 100 Q C 1.572 177.588 176.000 0.027 0.000 0.977 100 Q CA 1.347 57.159 55.803 0.015 0.000 0.850 100 Q CB -0.212 28.526 28.738 0.001 0.000 0.901 100 Q HN 0.367 nan 8.270 nan 0.000 0.429 101 D N 0.683 121.122 120.400 0.065 0.000 2.149 101 D HA -0.130 4.511 4.640 0.002 0.000 0.198 101 D C 1.929 178.250 176.300 0.036 0.000 0.990 101 D CA 0.588 54.637 54.000 0.083 0.000 0.839 101 D CB -0.129 40.762 40.800 0.153 0.000 0.948 101 D HN 0.170 nan 8.370 nan 0.000 0.460 102 L N 0.632 121.833 121.223 -0.036 0.000 1.993 102 L HA -0.114 4.227 4.340 0.002 0.000 0.206 102 L C 2.486 179.299 176.870 -0.095 0.000 1.074 102 L CA 1.085 55.803 54.840 -0.203 0.000 0.746 102 L CB -0.260 41.551 42.059 -0.413 0.000 0.896 102 L HN 0.005 nan 8.230 nan 0.000 0.435 103 V N -3.684 116.200 119.914 -0.050 0.000 2.809 103 V HA -0.119 4.002 4.120 0.002 0.000 0.256 103 V C 2.239 178.344 176.094 0.018 0.000 1.080 103 V CA 1.080 63.377 62.300 -0.006 0.000 1.102 103 V CB -0.558 31.275 31.823 0.015 0.000 0.705 103 V HN 0.229 nan 8.190 nan 0.000 0.475 104 V N 2.350 122.271 119.914 0.010 0.000 2.515 104 V HA -0.178 3.943 4.120 0.002 0.000 0.250 104 V C 2.828 178.931 176.094 0.016 0.000 1.058 104 V CA 2.576 64.886 62.300 0.017 0.000 1.064 104 V CB -0.724 31.103 31.823 0.007 0.000 0.675 104 V HN 0.879 nan 8.190 nan 0.000 0.461 105 T N -3.314 111.246 114.554 0.010 0.000 3.033 105 T HA 0.109 4.460 4.350 0.002 0.000 0.248 105 T C 2.007 176.718 174.700 0.018 0.000 1.040 105 T CA 0.877 62.984 62.100 0.013 0.000 1.133 105 T CB -0.165 68.709 68.868 0.011 0.000 0.895 105 T HN 0.366 nan 8.240 nan 0.000 0.465 106 G N 1.571 110.376 108.800 0.008 0.000 2.476 106 G HA2 -0.171 3.790 3.960 0.002 0.000 0.218 106 G HA3 -0.171 3.790 3.960 0.002 0.000 0.218 106 G C 1.585 176.523 174.900 0.063 0.000 1.164 106 G CA 1.137 46.247 45.100 0.018 0.000 0.768 106 G HN 0.435 nan 8.290 nan 0.000 0.560 107 V N 2.306 122.272 119.914 0.087 0.000 2.270 107 V HA -0.082 4.039 4.120 0.002 0.000 0.245 107 V C 0.441 176.685 176.094 0.249 0.000 1.043 107 V CA 2.294 64.696 62.300 0.170 0.000 1.014 107 V CB -0.783 31.156 31.823 0.194 0.000 0.645 107 V HN 0.333 nan 8.190 nan 0.000 0.447 108 P HA -0.145 nan 4.420 nan 0.000 0.217 108 P C 1.929 179.321 177.300 0.154 0.000 1.150 108 P CA 1.577 64.767 63.100 0.150 0.000 0.832 108 P CB -0.159 31.503 31.700 -0.063 0.000 0.787 109 M N -1.047 118.608 119.600 0.092 0.000 2.117 109 M HA -0.098 4.383 4.480 0.002 0.000 0.262 109 M C 2.372 178.718 176.300 0.077 0.000 1.065 109 M CA 1.367 56.708 55.300 0.069 0.000 1.114 109 M CB -1.489 31.137 32.600 0.043 0.000 1.361 109 M HN -0.014 nan 8.290 nan 0.000 0.408 110 L N -0.244 121.032 121.223 0.089 0.000 2.046 110 L HA -0.146 4.195 4.340 0.002 0.000 0.208 110 L C 2.404 179.322 176.870 0.081 0.000 1.077 110 L CA 1.553 56.440 54.840 0.078 0.000 0.747 110 L CB -0.838 41.273 42.059 0.086 0.000 0.896 110 L HN 0.352 nan 8.230 nan 0.000 0.432 111 G N -0.549 108.331 108.800 0.132 0.000 2.418 111 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 111 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 111 G C 1.655 176.599 174.900 0.072 0.000 1.158 111 G CA 0.720 45.870 45.100 0.084 0.000 0.771 111 G HN 0.275 nan 8.290 nan 0.000 0.545 112 K N 0.662 121.125 120.400 0.106 0.000 2.063 112 K HA -0.149 4.173 4.320 0.002 0.000 0.208 112 K C 2.368 178.988 176.600 0.035 0.000 1.048 112 K CA 1.663 57.990 56.287 0.066 0.000 0.928 112 K CB -0.225 32.311 32.500 0.060 0.000 0.713 112 K HN 0.447 nan 8.250 nan 0.000 0.442 113 E N -0.064 120.154 120.200 0.030 0.000 2.085 113 E HA -0.196 4.156 4.350 0.002 0.000 0.194 113 E C 1.988 178.585 176.600 -0.005 0.000 0.994 113 E CA 1.236 57.644 56.400 0.013 0.000 0.801 113 E CB -0.148 29.561 29.700 0.014 0.000 0.743 113 E HN 0.427 nan 8.360 nan 0.000 0.453 114 A N 1.388 124.199 122.820 -0.015 0.000 1.898 114 A HA -0.052 4.269 4.320 0.002 0.000 0.216 114 A C 2.378 179.935 177.584 -0.045 0.000 1.181 114 A CA 1.546 53.553 52.037 -0.051 0.000 0.620 114 A CB -0.555 18.404 19.000 -0.068 0.000 0.819 114 A HN 0.286 nan 8.150 nan 0.000 0.442 115 A N -0.585 122.220 122.820 -0.026 0.000 1.930 115 A HA 0.048 4.370 4.320 0.002 0.000 0.217 115 A C 2.186 179.775 177.584 0.009 0.000 1.175 115 A CA 1.584 53.611 52.037 -0.016 0.000 0.627 115 A CB -0.821 18.181 19.000 0.005 0.000 0.815 115 A HN 0.348 nan 8.150 nan 0.000 0.443 116 V N 0.357 120.280 119.914 0.014 0.000 2.332 116 V HA -0.304 3.817 4.120 0.002 0.000 0.248 116 V C 2.455 178.561 176.094 0.021 0.000 1.055 116 V CA 2.424 64.738 62.300 0.023 0.000 1.038 116 V CB -0.652 31.181 31.823 0.017 0.000 0.651 116 V HN 0.573 nan 8.190 nan 0.000 0.450 117 K N 0.206 120.606 120.400 0.001 0.000 2.057 117 K HA -0.109 4.212 4.320 0.002 0.000 0.207 117 K C 2.325 178.929 176.600 0.007 0.000 1.049 117 K CA 1.439 57.723 56.287 -0.006 0.000 0.931 117 K CB -0.426 32.054 32.500 -0.034 0.000 0.714 117 K HN 0.474 nan 8.250 nan 0.000 0.440 118 A N 1.672 124.490 122.820 -0.003 0.000 1.877 118 A HA -0.151 4.170 4.320 0.002 0.000 0.216 118 A C 2.155 179.797 177.584 0.097 0.000 1.186 118 A CA 1.318 53.361 52.037 0.010 0.000 0.620 118 A CB -0.620 18.357 19.000 -0.038 0.000 0.822 118 A HN 0.173 nan 8.150 nan 0.000 0.443 119 I N -0.189 120.455 120.570 0.123 0.000 2.286 119 I HA -0.238 3.933 4.170 0.002 0.000 0.248 119 I C 1.822 178.055 176.117 0.194 0.000 1.115 119 I CA 1.453 62.899 61.300 0.243 0.000 1.392 119 I CB -0.399 37.711 38.000 0.182 0.000 1.065 119 I HN 0.255 nan 8.210 nan 0.000 0.418 120 D N 0.422 120.882 120.400 0.101 0.000 2.117 120 D HA -0.215 4.426 4.640 0.002 0.000 0.198 120 D C 2.012 178.348 176.300 0.059 0.000 0.982 120 D CA 1.157 55.190 54.000 0.054 0.000 0.828 120 D CB -0.198 40.618 40.800 0.028 0.000 0.967 120 D HN 0.425 nan 8.370 nan 0.000 0.464 121 E N -0.422 119.825 120.200 0.077 0.000 2.051 121 E HA -0.195 4.157 4.350 0.002 0.000 0.192 121 E C 2.065 178.745 176.600 0.134 0.000 0.991 121 E CA 0.887 57.332 56.400 0.074 0.000 0.799 121 E CB -0.236 29.495 29.700 0.053 0.000 0.748 121 E HN 0.281 nan 8.360 nan 0.000 0.449 122 W N 0.774 122.060 121.300 -0.023 0.000 2.335 122 W HA -0.095 4.566 4.660 0.002 0.000 0.311 122 W C 1.592 178.103 176.519 -0.013 0.000 1.213 122 W CA 2.979 60.314 57.345 -0.016 0.000 1.274 122 W CB -0.521 28.932 29.460 -0.011 0.000 1.148 122 W HN 0.367 nan 8.180 nan 0.000 0.498 123 G N -1.057 107.680 108.800 -0.105 0.000 2.194 123 G HA2 -0.257 3.704 3.960 0.002 0.000 0.236 123 G HA3 -0.257 3.704 3.960 0.002 0.000 0.236 123 G C -0.184 174.461 174.900 -0.425 0.000 0.987 123 G CA 0.124 45.090 45.100 -0.223 0.000 0.635 123 G HN 0.249 nan 8.290 nan 0.000 0.520 124 L N 1.684 122.374 121.223 -0.887 0.000 2.416 124 L HA 0.648 4.989 4.340 0.002 0.000 0.262 124 L C -1.676 174.830 176.870 -0.607 0.000 1.093 124 L CA -2.168 52.102 54.840 -0.949 0.000 0.801 124 L CB 0.353 41.459 42.059 -1.587 0.000 1.191 124 L HN -0.111 nan 8.230 nan 0.000 0.459 125 P HA 0.065 nan 4.420 nan 0.000 0.268 125 P C -0.081 177.218 177.300 -0.001 0.000 1.205 125 P CA -0.282 62.735 63.100 -0.138 0.000 0.771 125 P CB 0.243 31.886 31.700 -0.095 0.000 0.858 126 K N 0.964 121.415 120.400 0.086 0.000 2.362 126 K HA -0.086 4.235 4.320 0.002 0.000 0.200 126 K C 1.356 178.046 176.600 0.150 0.000 1.046 126 K CA 1.510 57.907 56.287 0.183 0.000 0.952 126 K CB -0.464 32.108 32.500 0.121 0.000 0.753 126 K HN 0.389 nan 8.250 nan 0.000 0.466 127 S N 1.257 117.011 115.700 0.091 0.000 2.474 127 S HA -0.045 4.426 4.470 0.002 0.000 0.235 127 S C 1.479 176.138 174.600 0.099 0.000 0.997 127 S CA 0.513 58.755 58.200 0.069 0.000 0.949 127 S CB -0.108 63.112 63.200 0.033 0.000 0.766 127 S HN 0.375 nan 8.310 nan 0.000 0.517 128 K N 0.615 121.111 120.400 0.160 0.000 2.487 128 K HA 0.290 4.611 4.320 0.002 0.000 0.192 128 K C -0.152 176.607 176.600 0.266 0.000 1.027 128 K CA 0.058 56.477 56.287 0.220 0.000 1.054 128 K CB -0.122 32.538 32.500 0.267 0.000 0.824 128 K HN 0.481 nan 8.250 nan 0.000 0.510 129 I N 2.255 122.956 120.570 0.217 0.000 2.379 129 I HA -0.057 4.115 4.170 0.002 0.000 0.290 129 I C 1.433 177.601 176.117 0.084 0.000 1.063 129 I CA 0.035 61.406 61.300 0.119 0.000 1.351 129 I CB 1.218 39.267 38.000 0.082 0.000 1.410 129 I HN 0.152 nan 8.210 nan 0.000 0.505 130 T N 1.001 115.615 114.554 0.101 0.000 3.037 130 T HA 0.153 4.504 4.350 0.002 0.000 0.252 130 T C 0.398 175.000 174.700 -0.163 0.000 1.073 130 T CA 0.310 62.419 62.100 0.014 0.000 1.091 130 T CB -0.029 68.894 68.868 0.093 0.000 0.935 130 T HN 0.518 nan 8.240 nan 0.000 0.488 131 H N -0.143 118.969 119.070 0.069 0.000 2.851 131 H HA 0.755 5.312 4.556 0.002 0.000 0.372 131 H C -1.550 173.841 175.328 0.104 0.000 1.158 131 H CA -1.052 55.077 56.048 0.135 0.000 1.159 131 H CB 1.981 31.826 29.762 0.140 0.000 1.757 131 H HN 0.142 nan 8.280 nan 0.000 0.546 132 L N 2.611 124.001 121.223 0.278 0.000 2.410 132 L HA 0.585 4.926 4.340 0.002 0.000 0.270 132 L C -1.639 175.399 176.870 0.279 0.000 0.983 132 L CA -0.356 54.602 54.840 0.195 0.000 0.822 132 L CB 1.227 43.369 42.059 0.138 0.000 1.285 132 L HN 0.665 nan 8.230 nan 0.000 0.409 133 I N 5.421 126.097 120.570 0.177 0.000 2.382 133 I HA 0.336 4.507 4.170 0.002 0.000 0.285 133 I C -1.184 174.985 176.117 0.086 0.000 1.007 133 I CA -0.295 61.103 61.300 0.163 0.000 1.142 133 I CB 1.294 39.319 38.000 0.042 0.000 1.289 133 I HN 0.537 nan 8.210 nan 0.000 0.453 134 F N 7.092 127.043 119.950 0.001 0.000 2.427 134 F HA 0.564 5.092 4.527 0.002 0.000 0.346 134 F C -0.283 175.467 175.800 -0.084 0.000 1.120 134 F CA -0.416 57.555 58.000 -0.048 0.000 1.033 134 F CB 1.103 40.053 39.000 -0.085 0.000 1.126 134 F HN 0.465 nan 8.300 nan 0.000 0.462 135 C N 5.764 124.974 119.300 -0.151 0.000 2.441 135 C HA 0.857 5.319 4.460 0.002 0.000 0.318 135 C C -0.522 174.486 174.990 0.030 0.000 1.222 135 C CA 0.044 59.055 59.018 -0.011 0.000 1.474 135 C CB 0.795 28.500 27.740 -0.059 0.000 2.125 135 C HN 1.005 nan 8.230 nan 0.000 0.479 136 T N 2.188 116.825 114.554 0.138 0.000 2.762 136 T HA 0.578 4.929 4.350 0.002 0.000 0.301 136 T C 0.237 175.030 174.700 0.155 0.000 1.299 136 T CA -0.070 62.131 62.100 0.168 0.000 1.005 136 T CB 1.729 70.781 68.868 0.305 0.000 1.377 136 T HN 0.643 nan 8.240 nan 0.000 0.504 137 T N 1.103 115.726 114.554 0.115 0.000 3.058 137 T HA 0.514 4.865 4.350 0.002 0.000 0.278 137 T C 0.026 174.754 174.700 0.047 0.000 0.974 137 T CA 0.123 62.261 62.100 0.064 0.000 0.893 137 T CB 0.504 69.369 68.868 -0.005 0.000 1.138 137 T HN 0.766 nan 8.240 nan 0.000 0.529 138 A N 1.493 124.368 122.820 0.093 0.000 2.328 138 A HA 0.774 5.095 4.320 0.002 0.000 0.318 138 A C 0.750 178.380 177.584 0.076 0.000 1.347 138 A CA -0.122 51.952 52.037 0.060 0.000 0.842 138 A CB -0.258 18.778 19.000 0.060 0.000 1.148 138 A HN 0.698 nan 8.150 nan 0.000 0.499 139 G N 0.207 109.011 108.800 0.008 0.000 2.829 139 G HA2 0.321 4.283 3.960 0.002 0.000 0.628 139 G HA3 0.321 4.283 3.960 0.002 0.000 0.628 139 G C -0.191 174.581 174.900 -0.213 0.000 1.412 139 G CA 0.118 45.182 45.100 -0.060 0.000 0.864 139 G HN 2.440 nan 8.290 nan 0.000 0.544 140 V N -2.903 116.791 119.914 -0.366 0.000 3.188 140 V HA 0.991 5.112 4.120 0.002 0.000 0.305 140 V C -0.645 175.231 176.094 -0.363 0.000 1.232 140 V CA 0.102 61.904 62.300 -0.830 0.000 1.043 140 V CB 2.096 33.362 31.823 -0.929 0.000 1.068 140 V HN 1.745 nan 8.190 nan 0.000 0.439 141 D N 1.059 121.298 120.400 -0.268 0.000 2.694 141 D HA 0.617 5.258 4.640 0.002 0.000 0.260 141 D C -1.396 174.902 176.300 -0.003 0.000 1.250 141 D CA -0.415 53.539 54.000 -0.077 0.000 0.763 141 D CB 1.994 42.784 40.800 -0.016 0.000 1.311 141 D HN 0.870 nan 8.370 nan 0.000 0.420 142 M N 2.121 121.706 119.600 -0.024 0.000 2.204 142 M HA 0.445 4.927 4.480 0.002 0.000 0.293 142 M C -2.227 174.024 176.300 -0.082 0.000 0.994 142 M CA -1.622 53.658 55.300 -0.033 0.000 0.925 142 M CB 1.646 34.221 32.600 -0.041 0.000 1.577 142 M HN 0.206 nan 8.290 nan 0.000 0.439 143 P HA 0.132 nan 4.420 nan 0.000 0.269 143 P C 0.223 177.519 177.300 -0.007 0.000 1.205 143 P CA -0.084 62.916 63.100 -0.168 0.000 0.780 143 P CB 0.374 31.764 31.700 -0.517 0.000 0.858 144 G N -0.210 108.622 108.800 0.053 0.000 2.543 144 G HA2 0.390 4.351 3.960 0.002 0.000 0.290 144 G HA3 0.390 4.351 3.960 0.002 0.000 0.290 144 G C 0.986 175.872 174.900 -0.024 0.000 1.310 144 G CA -0.114 45.050 45.100 0.106 0.000 1.025 144 G HN 0.517 nan 8.290 nan 0.000 0.502 145 A N -0.297 122.403 122.820 -0.200 0.000 2.019 145 A HA -0.086 4.235 4.320 0.002 0.000 0.219 145 A C 2.029 179.158 177.584 -0.758 0.000 1.164 145 A CA 2.247 53.932 52.037 -0.586 0.000 0.644 145 A CB -0.538 17.837 19.000 -1.042 0.000 0.805 145 A HN 0.723 nan 8.150 nan 0.000 0.449 146 D N -1.146 118.941 120.400 -0.521 0.000 2.117 146 D HA -0.266 4.375 4.640 0.002 0.000 0.197 146 D C 1.828 178.088 176.300 -0.066 0.000 0.987 146 D CA 1.715 55.600 54.000 -0.192 0.000 0.829 146 D CB -0.894 39.878 40.800 -0.048 0.000 0.961 146 D HN 0.584 nan 8.370 nan 0.000 0.460 147 Y N 1.629 121.849 120.300 -0.133 0.000 2.145 147 Y HA -0.206 4.345 4.550 0.002 0.000 0.286 147 Y C 2.507 178.363 175.900 -0.074 0.000 1.145 147 Y CA 2.031 60.083 58.100 -0.079 0.000 1.148 147 Y CB -0.254 38.168 38.460 -0.064 0.000 0.981 147 Y HN -0.155 nan 8.280 nan 0.000 0.507 148 Q N 0.443 120.209 119.800 -0.056 0.000 2.135 148 Q HA -0.215 4.126 4.340 0.002 0.000 0.204 148 Q C 2.467 178.370 176.000 -0.163 0.000 0.981 148 Q CA 1.597 57.320 55.803 -0.133 0.000 0.856 148 Q CB -0.774 27.934 28.738 -0.050 0.000 0.902 148 Q HN 0.572 nan 8.270 nan 0.000 0.425 149 L N 0.752 121.903 121.223 -0.121 0.000 2.017 149 L HA -0.150 4.192 4.340 0.002 0.000 0.208 149 L C 2.489 179.329 176.870 -0.050 0.000 1.073 149 L CA 1.539 56.376 54.840 -0.006 0.000 0.745 149 L CB -0.474 41.687 42.059 0.170 0.000 0.894 149 L HN 0.207 nan 8.230 nan 0.000 0.432 150 V N -0.974 118.878 119.914 -0.104 0.000 2.332 150 V HA -0.318 3.803 4.120 0.002 0.000 0.248 150 V C 2.500 178.497 176.094 -0.161 0.000 1.055 150 V CA 2.371 64.603 62.300 -0.113 0.000 1.038 150 V CB -0.624 31.134 31.823 -0.108 0.000 0.651 150 V HN 0.515 nan 8.190 nan 0.000 0.450 151 K N -0.352 119.878 120.400 -0.284 0.000 2.057 151 K HA -0.066 4.255 4.320 0.002 0.000 0.206 151 K C 2.217 178.741 176.600 -0.127 0.000 1.050 151 K CA 1.960 58.098 56.287 -0.249 0.000 0.935 151 K CB -0.309 31.958 32.500 -0.388 0.000 0.715 151 K HN 0.604 nan 8.250 nan 0.000 0.439 152 L N 0.788 121.951 121.223 -0.101 0.000 2.012 152 L HA -0.195 4.146 4.340 0.002 0.000 0.210 152 L C 2.294 179.150 176.870 -0.024 0.000 1.073 152 L CA 1.222 56.036 54.840 -0.044 0.000 0.748 152 L CB -0.275 41.775 42.059 -0.016 0.000 0.891 152 L HN 0.260 nan 8.230 nan 0.000 0.431 153 L N -0.785 120.426 121.223 -0.019 0.000 2.509 153 L HA 0.124 4.465 4.340 0.002 0.000 0.222 153 L C 1.229 178.096 176.870 -0.005 0.000 1.123 153 L CA 0.459 55.299 54.840 0.000 0.000 0.856 153 L CB -0.352 41.718 42.059 0.018 0.000 0.985 153 L HN 0.504 nan 8.230 nan 0.000 0.456 154 G N 1.229 110.013 108.800 -0.026 0.000 2.256 154 G HA2 -0.258 3.703 3.960 0.002 0.000 0.272 154 G HA3 -0.258 3.703 3.960 0.002 0.000 0.272 154 G C 0.100 174.993 174.900 -0.011 0.000 1.076 154 G CA -0.088 44.998 45.100 -0.023 0.000 0.882 154 G HN 0.200 nan 8.290 nan 0.000 0.497 155 L N 0.008 121.222 121.223 -0.015 0.000 2.468 155 L HA 0.516 4.857 4.340 0.002 0.000 0.254 155 L C 1.619 178.485 176.870 -0.007 0.000 1.171 155 L CA -0.144 54.698 54.840 0.003 0.000 0.809 155 L CB 0.870 42.934 42.059 0.008 0.000 1.155 155 L HN 0.332 nan 8.230 nan 0.000 0.473 156 S N 1.082 116.784 115.700 0.004 0.000 2.546 156 S HA 0.057 4.528 4.470 0.002 0.000 0.290 156 S C -1.491 173.102 174.600 -0.012 0.000 1.290 156 S CA -1.028 57.171 58.200 -0.002 0.000 1.069 156 S CB 0.555 63.757 63.200 0.002 0.000 0.846 156 S HN 0.371 nan 8.310 nan 0.000 0.495 157 P HA 0.030 nan 4.420 nan 0.000 0.228 157 P C 0.501 177.797 177.300 -0.006 0.000 1.151 157 P CA 0.691 63.788 63.100 -0.006 0.000 0.770 157 P CB 0.063 31.765 31.700 0.004 0.000 0.786 158 S N -0.888 114.803 115.700 -0.015 0.000 2.572 158 S HA 0.115 4.586 4.470 0.002 0.000 0.228 158 S C 0.552 175.122 174.600 -0.050 0.000 0.963 158 S CA -0.413 57.771 58.200 -0.027 0.000 0.939 158 S CB -0.341 62.846 63.200 -0.022 0.000 0.804 158 S HN -0.034 nan 8.310 nan 0.000 0.480 159 V N 2.938 122.826 119.914 -0.044 0.000 2.655 159 V HA 0.157 4.278 4.120 0.002 0.000 0.300 159 V C 0.018 176.057 176.094 -0.093 0.000 1.044 159 V CA 0.005 62.267 62.300 -0.064 0.000 1.095 159 V CB 0.520 32.330 31.823 -0.022 0.000 0.952 159 V HN 0.250 nan 8.190 nan 0.000 0.485 160 K N 6.894 127.196 120.400 -0.163 0.000 2.349 160 K HA 0.401 4.722 4.320 0.002 0.000 0.288 160 K C -0.285 176.242 176.600 -0.122 0.000 1.058 160 K CA -0.078 56.112 56.287 -0.161 0.000 0.953 160 K CB 0.711 33.110 32.500 -0.169 0.000 0.997 160 K HN 0.648 nan 8.250 nan 0.000 0.477 161 R N 2.270 122.580 120.500 -0.317 0.000 2.664 161 R HA 0.352 4.693 4.340 0.002 0.000 0.286 161 R C -1.054 174.815 176.300 -0.718 0.000 0.967 161 R CA -0.806 55.124 56.100 -0.284 0.000 0.933 161 R CB 1.188 31.412 30.300 -0.126 0.000 1.146 161 R HN 0.469 nan 8.270 nan 0.000 0.468 162 Y N 1.668 121.996 120.300 0.047 0.000 2.594 162 Y HA 0.265 4.817 4.550 0.002 0.000 0.338 162 Y C -0.321 175.587 175.900 0.014 0.000 1.019 162 Y CA -0.836 57.283 58.100 0.032 0.000 1.306 162 Y CB 1.472 39.952 38.460 0.033 0.000 1.094 162 Y HN 0.361 nan 8.280 nan 0.000 0.534 163 M N 5.137 124.748 119.600 0.018 0.000 2.094 163 M HA 0.410 4.891 4.480 0.002 0.000 0.348 163 M C -1.741 174.513 176.300 -0.076 0.000 1.267 163 M CA -0.206 55.051 55.300 -0.072 0.000 1.125 163 M CB -0.122 32.384 32.600 -0.157 0.000 1.527 163 M HN 0.496 nan 8.290 nan 0.000 0.447 164 L N 6.566 127.756 121.223 -0.056 0.000 2.272 164 L HA 0.390 4.731 4.340 0.002 0.000 0.284 164 L C -1.087 175.771 176.870 -0.020 0.000 1.045 164 L CA -0.638 54.200 54.840 -0.003 0.000 0.842 164 L CB -0.096 41.986 42.059 0.038 0.000 1.224 164 L HN 0.536 nan 8.230 nan 0.000 0.430 165 Y N 1.339 121.684 120.300 0.075 0.000 2.496 165 Y HA 0.271 4.822 4.550 0.002 0.000 0.331 165 Y C 0.704 176.623 175.900 0.032 0.000 1.140 165 Y CA -0.958 57.177 58.100 0.058 0.000 1.166 165 Y CB 1.398 39.880 38.460 0.036 0.000 1.249 165 Y HN 0.528 nan 8.280 nan 0.000 0.479 166 Q N 0.965 120.907 119.800 0.236 0.000 2.452 166 Q HA -0.226 4.115 4.340 0.002 0.000 0.318 166 Q C 0.234 176.272 176.000 0.063 0.000 1.386 166 Q CA 0.591 56.452 55.803 0.096 0.000 0.872 166 Q CB -0.680 28.090 28.738 0.054 0.000 1.151 166 Q HN 0.751 nan 8.270 nan 0.000 0.417 167 Q N -0.826 119.011 119.800 0.062 0.000 2.259 167 Q HA 0.272 4.613 4.340 0.002 0.000 0.201 167 Q C 1.211 177.215 176.000 0.006 0.000 0.938 167 Q CA 1.089 56.914 55.803 0.036 0.000 0.872 167 Q CB 0.418 29.178 28.738 0.036 0.000 0.971 167 Q HN 0.727 nan 8.270 nan 0.000 0.494 171 A N 0.320 123.086 122.820 -0.090 0.000 2.206 171 A HA 0.397 4.719 4.320 0.002 0.000 0.211 171 A C 2.009 179.558 177.584 -0.058 0.000 1.158 171 A CA 1.764 53.766 52.037 -0.057 0.000 0.761 171 A CB -0.774 18.208 19.000 -0.031 0.000 0.801 171 A HN 1.176 nan 8.150 nan 0.000 0.473 172 G N -0.030 108.731 108.800 -0.066 0.000 2.408 172 G HA2 0.026 3.987 3.960 0.002 0.000 0.217 172 G HA3 0.026 3.987 3.960 0.002 0.000 0.217 172 G C 1.444 176.304 174.900 -0.067 0.000 1.150 172 G CA 1.084 46.154 45.100 -0.049 0.000 0.776 172 G HN 0.592 nan 8.290 nan 0.000 0.542 173 G N 0.265 109.015 108.800 -0.084 0.000 2.408 173 G HA2 -0.108 3.853 3.960 0.002 0.000 0.217 173 G HA3 -0.108 3.853 3.960 0.002 0.000 0.217 173 G C 1.829 176.684 174.900 -0.075 0.000 1.150 173 G CA 1.653 46.701 45.100 -0.087 0.000 0.776 173 G HN 0.365 nan 8.290 nan 0.000 0.542 174 T N 1.311 115.827 114.554 -0.063 0.000 2.720 174 T HA -0.171 4.180 4.350 0.002 0.000 0.268 174 T C 2.700 177.361 174.700 -0.065 0.000 1.037 174 T CA 1.924 63.992 62.100 -0.054 0.000 1.144 174 T CB -0.466 68.379 68.868 -0.037 0.000 0.864 174 T HN 0.314 nan 8.240 nan 0.000 0.444 175 V N 0.483 120.357 119.914 -0.067 0.000 2.427 175 V HA -0.044 4.077 4.120 0.002 0.000 0.248 175 V C 2.350 178.387 176.094 -0.095 0.000 1.051 175 V CA 1.315 63.568 62.300 -0.078 0.000 1.048 175 V CB -1.268 30.508 31.823 -0.077 0.000 0.666 175 V HN 0.410 nan 8.190 nan 0.000 0.456 176 L N 0.068 121.237 121.223 -0.091 0.000 2.046 176 L HA -0.131 4.211 4.340 0.002 0.000 0.208 176 L C 2.997 179.805 176.870 -0.102 0.000 1.077 176 L CA 2.357 57.139 54.840 -0.097 0.000 0.747 176 L CB -0.699 41.302 42.059 -0.097 0.000 0.896 176 L HN 0.322 nan 8.230 nan 0.000 0.432 177 R N 0.415 120.858 120.500 -0.094 0.000 2.083 177 R HA -0.228 4.114 4.340 0.002 0.000 0.237 177 R C 2.344 178.580 176.300 -0.107 0.000 1.137 177 R CA 1.637 57.682 56.100 -0.091 0.000 0.951 177 R CB -0.316 29.940 30.300 -0.073 0.000 0.851 177 R HN 0.185 nan 8.270 nan 0.000 0.434 178 L N 0.688 121.839 121.223 -0.121 0.000 1.976 178 L HA -0.051 4.290 4.340 0.002 0.000 0.209 178 L C 2.342 179.082 176.870 -0.218 0.000 1.071 178 L CA 2.336 57.074 54.840 -0.170 0.000 0.746 178 L CB -0.941 41.011 42.059 -0.179 0.000 0.890 178 L HN 0.280 nan 8.230 nan 0.000 0.432 179 A N -0.544 122.160 122.820 -0.194 0.000 1.940 179 A HA -0.300 4.021 4.320 0.002 0.000 0.219 179 A C 2.427 179.899 177.584 -0.187 0.000 1.176 179 A CA 2.069 53.983 52.037 -0.206 0.000 0.631 179 A CB -0.722 18.183 19.000 -0.157 0.000 0.814 179 A HN 0.569 nan 8.150 nan 0.000 0.446 180 K N -0.430 119.881 120.400 -0.147 0.000 2.044 180 K HA -0.242 4.079 4.320 0.002 0.000 0.210 180 K C 1.396 177.915 176.600 -0.134 0.000 1.049 180 K CA 2.014 58.227 56.287 -0.124 0.000 0.927 180 K CB -0.219 32.220 32.500 -0.101 0.000 0.713 180 K HN 0.406 nan 8.250 nan 0.000 0.443 181 D N 0.505 120.818 120.400 -0.145 0.000 2.123 181 D HA -0.103 4.538 4.640 0.002 0.000 0.200 181 D C 2.053 178.244 176.300 -0.181 0.000 0.976 181 D CA 0.997 54.914 54.000 -0.138 0.000 0.831 181 D CB -0.085 40.642 40.800 -0.122 0.000 0.974 181 D HN 0.244 nan 8.370 nan 0.000 0.469 182 L N 0.799 121.860 121.223 -0.271 0.000 2.012 182 L HA -0.179 4.162 4.340 0.002 0.000 0.210 182 L C 2.593 179.252 176.870 -0.351 0.000 1.073 182 L CA 1.388 55.988 54.840 -0.401 0.000 0.748 182 L CB -0.547 41.142 42.059 -0.617 0.000 0.891 182 L HN -0.027 nan 8.230 nan 0.000 0.431 183 A N -0.122 122.538 122.820 -0.266 0.000 1.898 183 A HA -0.181 4.140 4.320 0.002 0.000 0.216 183 A C 2.151 179.665 177.584 -0.118 0.000 1.181 183 A CA 1.489 53.418 52.037 -0.180 0.000 0.620 183 A CB -0.379 18.534 19.000 -0.145 0.000 0.819 183 A HN 0.452 nan 8.150 nan 0.000 0.442 184 E N -0.814 119.320 120.200 -0.110 0.000 2.285 184 E HA -0.114 4.237 4.350 0.002 0.000 0.194 184 E C 1.461 178.024 176.600 -0.060 0.000 0.997 184 E CA 0.832 57.187 56.400 -0.074 0.000 0.845 184 E CB -0.075 29.584 29.700 -0.068 0.000 0.782 184 E HN 0.613 nan 8.360 nan 0.000 0.491 185 N N 0.408 119.064 118.700 -0.074 0.000 2.373 185 N HA -0.010 4.731 4.740 0.002 0.000 0.181 185 N C -0.549 174.949 175.510 -0.020 0.000 1.082 185 N CA 0.260 53.284 53.050 -0.043 0.000 0.885 185 N CB 0.502 38.964 38.487 -0.042 0.000 0.977 185 N HN -0.047 nan 8.380 nan 0.000 0.462 186 N N 1.069 119.751 118.700 -0.029 0.000 2.626 186 N HA 0.040 4.781 4.740 0.002 0.000 0.249 186 N C -1.192 174.341 175.510 0.037 0.000 1.021 186 N CA -0.353 52.715 53.050 0.029 0.000 0.886 186 N CB 1.566 40.103 38.487 0.083 0.000 1.149 186 N HN 0.149 nan 8.380 nan 0.000 0.517 187 K N 0.589 121.011 120.400 0.037 0.000 2.491 187 K HA 0.018 4.339 4.320 0.002 0.000 0.279 187 K C 1.116 177.755 176.600 0.065 0.000 1.026 187 K CA 1.229 57.539 56.287 0.039 0.000 1.070 187 K CB 0.034 32.555 32.500 0.035 0.000 0.887 187 K HN 0.741 nan 8.250 nan 0.000 0.481 188 G N 2.349 111.192 108.800 0.072 0.000 2.176 188 G HA2 -0.310 3.651 3.960 0.002 0.000 0.253 188 G HA3 -0.310 3.651 3.960 0.002 0.000 0.253 188 G C -0.018 174.957 174.900 0.125 0.000 0.979 188 G CA 0.352 45.520 45.100 0.113 0.000 0.641 188 G HN 0.885 nan 8.290 nan 0.000 0.530 189 S N 0.149 115.910 115.700 0.102 0.000 2.592 189 S HA 0.776 5.247 4.470 0.002 0.000 0.271 189 S C 0.119 174.774 174.600 0.091 0.000 1.326 189 S CA -0.366 57.917 58.200 0.138 0.000 1.024 189 S CB 1.832 65.127 63.200 0.157 0.000 0.921 189 S HN 0.442 nan 8.310 nan 0.000 0.527 190 R N 1.331 121.892 120.500 0.103 0.000 2.502 190 R HA 0.481 4.822 4.340 0.002 0.000 0.300 190 R C -1.603 174.673 176.300 -0.040 0.000 0.984 190 R CA -0.587 55.500 56.100 -0.022 0.000 0.882 190 R CB 1.784 32.056 30.300 -0.045 0.000 1.180 190 R HN 0.591 nan 8.270 nan 0.000 0.444 191 V N 4.388 124.231 119.914 -0.118 0.000 2.398 191 V HA 0.331 4.452 4.120 0.002 0.000 0.286 191 V C -0.130 175.874 176.094 -0.149 0.000 1.026 191 V CA -0.942 61.311 62.300 -0.078 0.000 0.868 191 V CB 1.684 33.434 31.823 -0.122 0.000 0.982 191 V HN 0.471 nan 8.190 nan 0.000 0.443 192 L N 7.011 128.179 121.223 -0.091 0.000 2.264 192 L HA 0.585 4.926 4.340 0.002 0.000 0.289 192 L C -0.426 176.404 176.870 -0.068 0.000 1.044 192 L CA 0.296 55.073 54.840 -0.106 0.000 0.807 192 L CB 0.710 42.733 42.059 -0.059 0.000 1.192 192 L HN 0.525 nan 8.230 nan 0.000 0.425 193 I N 5.859 126.366 120.570 -0.105 0.000 2.354 193 I HA 0.424 4.595 4.170 0.002 0.000 0.292 193 I C -0.828 175.196 176.117 -0.155 0.000 0.989 193 I CA -0.705 60.528 61.300 -0.112 0.000 1.188 193 I CB 1.702 39.633 38.000 -0.115 0.000 1.342 193 I HN 0.275 nan 8.210 nan 0.000 0.457 194 V N 5.883 125.655 119.914 -0.237 0.000 2.483 194 V HA 0.315 4.436 4.120 0.002 0.000 0.297 194 V C -0.498 175.283 176.094 -0.521 0.000 1.027 194 V CA -0.573 61.498 62.300 -0.382 0.000 0.855 194 V CB 1.678 33.165 31.823 -0.561 0.000 0.995 194 V HN 0.783 nan 8.190 nan 0.000 0.424 195 C N 3.466 122.574 119.300 -0.320 0.000 2.303 195 C HA 0.764 5.225 4.460 0.002 0.000 0.326 195 C C 0.591 175.459 174.990 -0.204 0.000 1.285 195 C CA -0.326 58.541 59.018 -0.252 0.000 1.675 195 C CB 0.855 28.540 27.740 -0.092 0.000 2.289 195 C HN 0.870 nan 8.230 nan 0.000 0.512 196 S N 2.904 118.502 115.700 -0.170 0.000 2.672 196 S HA 0.492 4.964 4.470 0.002 0.000 0.291 196 S C -1.251 173.398 174.600 0.082 0.000 1.145 196 S CA -0.355 57.838 58.200 -0.013 0.000 1.013 196 S CB 0.504 63.731 63.200 0.045 0.000 1.017 196 S HN 0.764 nan 8.310 nan 0.000 0.487 197 E N 4.063 124.306 120.200 0.071 0.000 2.199 197 E HA 0.448 4.799 4.350 0.002 0.000 0.265 197 E C -0.971 175.675 176.600 0.076 0.000 0.882 197 E CA -0.476 55.969 56.400 0.074 0.000 0.759 197 E CB 1.994 31.727 29.700 0.054 0.000 1.148 197 E HN 0.639 nan 8.360 nan 0.000 0.412 198 I N 2.046 122.661 120.570 0.074 0.000 2.411 198 I HA 0.071 4.242 4.170 0.002 0.000 0.284 198 I C 1.387 177.539 176.117 0.058 0.000 1.012 198 I CA -0.346 60.994 61.300 0.066 0.000 1.119 198 I CB 1.614 39.645 38.000 0.051 0.000 1.261 198 I HN 0.484 nan 8.210 nan 0.000 0.448 199 T N 1.587 116.192 114.554 0.084 0.000 3.227 199 T HA 0.010 4.361 4.350 0.002 0.000 0.257 199 T C 1.628 176.400 174.700 0.120 0.000 1.162 199 T CA 0.639 62.796 62.100 0.096 0.000 1.051 199 T CB 0.095 69.067 68.868 0.173 0.000 0.953 199 T HN 0.648 nan 8.240 nan 0.000 0.535 200 A N 1.500 124.373 122.820 0.087 0.000 1.978 200 A HA 0.039 4.360 4.320 0.002 0.000 0.220 200 A C 2.120 179.744 177.584 0.067 0.000 1.170 200 A CA 1.212 53.292 52.037 0.073 0.000 0.636 200 A CB -0.779 18.216 19.000 -0.008 0.000 0.810 200 A HN 0.547 nan 8.150 nan 0.000 0.448 201 I N -0.015 120.576 120.570 0.034 0.000 2.454 201 I HA -0.151 4.020 4.170 0.002 0.000 0.254 201 I C 1.691 177.798 176.117 -0.016 0.000 1.156 201 I CA 1.219 62.523 61.300 0.006 0.000 1.433 201 I CB -0.008 37.987 38.000 -0.008 0.000 1.082 201 I HN 0.504 nan 8.210 nan 0.000 0.432 202 L N -2.492 118.740 121.223 0.014 0.000 2.959 202 L HA 0.305 4.646 4.340 0.002 0.000 0.259 202 L C 0.329 177.189 176.870 -0.016 0.000 1.185 202 L CA -0.401 54.460 54.840 0.035 0.000 0.998 202 L CB -1.182 40.980 42.059 0.172 0.000 1.337 202 L HN 0.007 nan 8.230 nan 0.000 0.555 203 F N 3.520 123.375 119.950 -0.159 0.000 2.538 203 F HA 0.412 4.940 4.527 0.002 0.000 0.371 203 F C -0.149 175.444 175.800 -0.345 0.000 1.087 203 F CA 0.547 58.500 58.000 -0.078 0.000 1.250 203 F CB 0.250 39.275 39.000 0.043 0.000 1.110 203 F HN 0.148 nan 8.300 nan 0.000 0.570 204 H N 3.264 122.059 119.070 -0.458 0.000 2.996 204 H HA 0.338 4.895 4.556 0.002 0.000 0.368 204 H C 0.067 175.186 175.328 -0.349 0.000 1.185 204 H CA -0.472 55.428 56.048 -0.246 0.000 1.160 204 H CB 1.367 31.105 29.762 -0.041 0.000 1.820 204 H HN 0.839 nan 8.280 nan 0.000 0.547 205 G N 1.429 110.218 108.800 -0.018 0.000 2.634 205 G HA2 0.275 4.236 3.960 0.002 0.000 0.255 205 G HA3 0.275 4.236 3.960 0.002 0.000 0.255 205 G C -2.416 172.489 174.900 0.007 0.000 1.205 205 G CA -0.960 44.054 45.100 -0.145 0.000 0.884 205 G HN 0.281 nan 8.290 nan 0.000 0.549 206 P HA 0.165 nan 4.420 nan 0.000 0.275 206 P C -0.898 176.291 177.300 -0.185 0.000 1.227 206 P CA -0.331 62.657 63.100 -0.186 0.000 0.781 206 P CB 1.079 32.575 31.700 -0.340 0.000 0.906 207 N N 0.034 118.572 118.700 -0.269 0.000 2.503 207 N HA 0.321 5.062 4.740 0.002 0.000 0.287 207 N C 1.078 176.442 175.510 -0.244 0.000 1.096 207 N CA -0.206 52.617 53.050 -0.379 0.000 0.936 207 N CB 0.865 38.766 38.487 -0.977 0.000 1.570 207 N HN 0.162 nan 8.380 nan 0.000 0.504 208 E N 1.994 122.105 120.200 -0.149 0.000 2.171 208 E HA -0.247 4.104 4.350 0.002 0.000 0.197 208 E C 0.848 177.364 176.600 -0.140 0.000 0.997 208 E CA 1.843 58.181 56.400 -0.103 0.000 0.810 208 E CB -0.635 29.024 29.700 -0.069 0.000 0.738 208 E HN 0.719 nan 8.360 nan 0.000 0.467 209 N N 0.022 118.596 118.700 -0.209 0.000 2.467 209 N HA -0.030 4.711 4.740 0.002 0.000 0.184 209 N C -0.093 175.096 175.510 -0.534 0.000 1.106 209 N CA 0.404 53.253 53.050 -0.335 0.000 0.892 209 N CB 0.314 38.561 38.487 -0.401 0.000 0.969 209 N HN 0.578 nan 8.380 nan 0.000 0.454 210 H N 0.561 119.505 119.070 -0.210 0.000 2.336 210 H HA 0.250 4.807 4.556 0.002 0.000 0.230 210 H C 1.038 176.308 175.328 -0.097 0.000 1.426 210 H CA -0.188 55.776 56.048 -0.140 0.000 1.359 210 H CB 0.460 30.106 29.762 -0.194 0.000 1.555 210 H HN 0.002 nan 8.280 nan 0.000 0.512 211 L N 0.217 121.430 121.223 -0.016 0.000 2.201 211 L HA -0.158 4.183 4.340 0.002 0.000 0.212 211 L C 2.049 178.925 176.870 0.010 0.000 1.105 211 L CA 1.018 55.854 54.840 -0.006 0.000 0.775 211 L CB -0.088 41.958 42.059 -0.023 0.000 0.913 211 L HN 0.377 nan 8.230 nan 0.000 0.440 212 D N -1.218 119.200 120.400 0.030 0.000 2.144 212 D HA -0.190 4.451 4.640 0.002 0.000 0.200 212 D C 2.179 178.472 176.300 -0.011 0.000 0.978 212 D CA 1.277 55.290 54.000 0.023 0.000 0.833 212 D CB -0.459 40.383 40.800 0.069 0.000 0.961 212 D HN 0.086 nan 8.370 nan 0.000 0.470 213 S N -0.509 115.235 115.700 0.072 0.000 2.383 213 S HA -0.111 4.361 4.470 0.002 0.000 0.229 213 S C 1.758 176.342 174.600 -0.027 0.000 1.030 213 S CA 0.628 58.866 58.200 0.063 0.000 1.002 213 S CB -0.407 62.949 63.200 0.261 0.000 0.829 213 S HN 0.250 nan 8.310 nan 0.000 0.467 214 L N 1.359 122.569 121.223 -0.022 0.000 2.056 214 L HA 0.037 4.378 4.340 0.002 0.000 0.207 214 L C 2.261 179.102 176.870 -0.048 0.000 1.078 214 L CA 1.544 56.327 54.840 -0.094 0.000 0.749 214 L CB -0.753 41.287 42.059 -0.033 0.000 0.901 214 L HN 0.173 nan 8.230 nan 0.000 0.433 215 V N 0.206 120.118 119.914 -0.004 0.000 2.332 215 V HA -0.331 3.790 4.120 0.002 0.000 0.248 215 V C 2.792 178.835 176.094 -0.086 0.000 1.055 215 V CA 1.680 63.984 62.300 0.006 0.000 1.038 215 V CB -1.342 30.459 31.823 -0.035 0.000 0.651 215 V HN 0.618 nan 8.190 nan 0.000 0.450 216 A N -0.719 121.968 122.820 -0.221 0.000 1.972 216 A HA -0.231 4.090 4.320 0.002 0.000 0.219 216 A C 2.089 179.625 177.584 -0.079 0.000 1.169 216 A CA 1.411 53.257 52.037 -0.319 0.000 0.635 216 A CB -0.398 18.005 19.000 -0.995 0.000 0.810 216 A HN 0.551 nan 8.150 nan 0.000 0.446 217 Q N -0.578 119.172 119.800 -0.084 0.000 2.364 217 Q HA -0.016 4.325 4.340 0.002 0.000 0.209 217 Q C 1.869 177.914 176.000 0.074 0.000 0.977 217 Q CA 1.306 57.065 55.803 -0.074 0.000 0.885 217 Q CB -0.590 27.817 28.738 -0.552 0.000 0.941 217 Q HN 0.707 nan 8.270 nan 0.000 0.464 218 A N -0.553 122.332 122.820 0.108 0.000 2.252 218 A HA 0.181 4.502 4.320 0.002 0.000 0.213 218 A C 1.910 179.351 177.584 -0.239 0.000 1.188 218 A CA -0.053 51.944 52.037 -0.068 0.000 0.863 218 A CB 0.067 19.012 19.000 -0.092 0.000 0.893 218 A HN 0.243 nan 8.150 nan 0.000 0.495 219 L N -1.688 119.334 121.223 -0.336 0.000 2.202 219 L HA 0.211 4.553 4.340 0.002 0.000 0.205 219 L C 0.059 176.597 176.870 -0.554 0.000 1.083 219 L CA 0.431 54.918 54.840 -0.588 0.000 0.790 219 L CB -0.179 41.205 42.059 -1.124 0.000 0.942 219 L HN 0.306 nan 8.230 nan 0.000 0.452 220 F N -0.367 119.563 119.950 -0.034 0.000 2.450 220 F HA 0.612 5.140 4.527 0.002 0.000 0.332 220 F C 0.728 176.523 175.800 -0.008 0.000 1.093 220 F CA -0.755 57.252 58.000 0.012 0.000 1.003 220 F CB 1.473 40.522 39.000 0.082 0.000 1.151 220 F HN -0.220 nan 8.300 nan 0.000 0.474 221 G N 0.588 109.505 108.800 0.195 0.000 2.730 221 G HA2 0.531 4.492 3.960 0.002 0.000 0.289 221 G HA3 0.531 4.492 3.960 0.002 0.000 0.289 221 G C -1.901 173.085 174.900 0.143 0.000 1.341 221 G CA -0.763 44.420 45.100 0.139 0.000 0.932 221 G HN 0.405 nan 8.290 nan 0.000 0.481 222 D N -0.770 119.721 120.400 0.150 0.000 2.193 222 D HA 0.684 5.325 4.640 0.002 0.000 0.249 222 D C 0.447 176.802 176.300 0.092 0.000 1.034 222 D CA 0.347 54.420 54.000 0.121 0.000 0.902 222 D CB 1.753 42.632 40.800 0.133 0.000 1.182 222 D HN 0.786 nan 8.370 nan 0.000 0.436 223 G N -1.008 107.821 108.800 0.047 0.000 2.387 223 G HA2 0.634 4.595 3.960 0.002 0.000 0.294 223 G HA3 0.634 4.595 3.960 0.002 0.000 0.294 223 G C -1.963 173.012 174.900 0.126 0.000 1.509 223 G CA -0.448 44.687 45.100 0.059 0.000 0.806 223 G HN 0.575 nan 8.290 nan 0.000 0.546 224 A N -0.904 122.063 122.820 0.245 0.000 2.486 224 A HA 1.042 5.363 4.320 0.002 0.000 0.300 224 A C -0.222 177.462 177.584 0.166 0.000 1.048 224 A CA 0.150 52.282 52.037 0.158 0.000 0.696 224 A CB 1.623 20.649 19.000 0.045 0.000 1.278 224 A HN 2.435 nan 8.150 nan 0.000 0.405 225 A N 0.602 123.476 122.820 0.090 0.000 2.374 225 A HA 0.951 5.272 4.320 0.002 0.000 0.317 225 A C -0.181 177.336 177.584 -0.113 0.000 1.094 225 A CA -0.019 51.972 52.037 -0.075 0.000 0.765 225 A CB 1.445 20.425 19.000 -0.034 0.000 1.268 225 A HN 2.472 nan 8.150 nan 0.000 0.438 226 A N 1.256 123.993 122.820 -0.138 0.000 2.393 226 A HA 0.779 5.100 4.320 0.002 0.000 0.306 226 A C -1.442 176.070 177.584 -0.119 0.000 1.050 226 A CA -0.317 51.645 52.037 -0.126 0.000 0.724 226 A CB 0.946 19.883 19.000 -0.105 0.000 1.248 226 A HN 0.800 nan 8.150 nan 0.000 0.424 227 L N 2.076 123.225 121.223 -0.123 0.000 2.354 227 L HA 0.603 4.944 4.340 0.002 0.000 0.264 227 L C -0.620 176.144 176.870 -0.177 0.000 1.008 227 L CA -0.321 54.443 54.840 -0.126 0.000 0.819 227 L CB 1.944 43.939 42.059 -0.107 0.000 1.339 227 L HN 0.562 nan 8.230 nan 0.000 0.420 228 I N 2.368 122.796 120.570 -0.237 0.000 2.377 228 I HA 0.555 4.726 4.170 0.002 0.000 0.293 228 I C -0.534 175.395 176.117 -0.314 0.000 0.987 228 I CA -0.550 60.506 61.300 -0.407 0.000 1.185 228 I CB 1.748 39.272 38.000 -0.793 0.000 1.341 228 I HN 0.165 nan 8.210 nan 0.000 0.455 229 V N 4.693 124.440 119.914 -0.279 0.000 2.709 229 V HA 0.941 5.062 4.120 0.002 0.000 0.308 229 V C 0.178 176.170 176.094 -0.170 0.000 1.062 229 V CA -0.422 61.767 62.300 -0.184 0.000 0.901 229 V CB 2.111 33.847 31.823 -0.145 0.000 1.003 229 V HN 0.988 nan 8.190 nan 0.000 0.425 230 G N 1.949 110.680 108.800 -0.116 0.000 2.646 230 G HA2 0.604 4.565 3.960 0.002 0.000 0.291 230 G HA3 0.604 4.565 3.960 0.002 0.000 0.291 230 G C -1.263 173.602 174.900 -0.057 0.000 1.445 230 G CA -0.456 44.597 45.100 -0.078 0.000 0.814 230 G HN 0.587 nan 8.290 nan 0.000 0.495 231 S N -1.335 114.335 115.700 -0.050 0.000 2.690 231 S HA 0.666 5.137 4.470 0.002 0.000 0.291 231 S C 0.859 175.423 174.600 -0.061 0.000 1.138 231 S CA 0.632 58.801 58.200 -0.051 0.000 1.013 231 S CB 1.420 64.590 63.200 -0.050 0.000 1.053 231 S HN 2.306 nan 8.310 nan 0.000 0.539 232 G N 3.000 111.754 108.800 -0.077 0.000 2.351 232 G HA2 -0.148 3.813 3.960 0.002 0.000 0.297 232 G HA3 -0.148 3.813 3.960 0.002 0.000 0.297 232 G C -2.609 172.157 174.900 -0.223 0.000 1.054 232 G CA -0.830 44.190 45.100 -0.133 0.000 1.123 232 G HN 0.464 nan 8.290 nan 0.000 0.512 233 P HA 0.185 nan 4.420 nan 0.000 0.268 233 P C -0.119 177.072 177.300 -0.181 0.000 1.204 233 P CA 0.183 63.221 63.100 -0.104 0.000 0.768 233 P CB 0.369 32.060 31.700 -0.015 0.000 0.842 234 H N 1.842 120.944 119.070 0.053 0.000 3.008 234 H HA 0.156 4.713 4.556 0.002 0.000 0.268 234 H C 1.348 176.687 175.328 0.019 0.000 1.323 234 H CA -0.186 55.879 56.048 0.029 0.000 1.401 234 H CB -0.364 29.413 29.762 0.026 0.000 1.556 234 H HN 0.284 nan 8.280 nan 0.000 0.502 235 L N 1.394 122.660 121.223 0.072 0.000 2.187 235 L HA -0.207 4.134 4.340 0.002 0.000 0.213 235 L C 2.415 179.308 176.870 0.037 0.000 1.100 235 L CA 0.990 55.854 54.840 0.041 0.000 0.765 235 L CB -0.332 41.735 42.059 0.013 0.000 0.904 235 L HN 0.680 nan 8.230 nan 0.000 0.437 236 A N -0.035 122.812 122.820 0.045 0.000 1.972 236 A HA -0.112 4.209 4.320 0.002 0.000 0.219 236 A C 2.121 179.711 177.584 0.010 0.000 1.169 236 A CA 2.014 54.063 52.037 0.019 0.000 0.635 236 A CB -0.386 18.623 19.000 0.014 0.000 0.810 236 A HN 0.364 nan 8.150 nan 0.000 0.446 237 V N -4.127 115.800 119.914 0.021 0.000 3.562 237 V HA 0.310 4.431 4.120 0.002 0.000 0.270 237 V C 0.253 176.351 176.094 0.007 0.000 1.418 237 V CA -0.090 62.203 62.300 -0.012 0.000 1.033 237 V CB -0.161 31.626 31.823 -0.060 0.000 0.820 237 V HN 0.362 nan 8.190 nan 0.000 0.441 238 E N 1.410 121.654 120.200 0.073 0.000 2.214 238 E HA 0.603 4.954 4.350 0.002 0.000 0.274 238 E C -0.701 175.950 176.600 0.085 0.000 0.977 238 E CA -0.721 55.758 56.400 0.131 0.000 0.827 238 E CB 2.283 32.123 29.700 0.233 0.000 1.130 238 E HN 0.323 nan 8.360 nan 0.000 0.394 239 R N 3.253 123.804 120.500 0.083 0.000 2.310 239 R HA 0.304 4.645 4.340 0.002 0.000 0.316 239 R C -2.597 173.704 176.300 0.002 0.000 1.004 239 R CA -1.937 54.178 56.100 0.026 0.000 0.900 239 R CB 0.685 30.991 30.300 0.010 0.000 1.152 239 R HN 0.217 nan 8.270 nan 0.000 0.513 240 P HA 0.035 nan 4.420 nan 0.000 0.265 240 P C -0.080 177.146 177.300 -0.123 0.000 1.193 240 P CA 0.207 63.276 63.100 -0.051 0.000 0.765 240 P CB 0.814 32.485 31.700 -0.049 0.000 0.823 241 I N 0.696 121.166 120.570 -0.167 0.000 3.443 241 I HA 0.192 4.363 4.170 0.002 0.000 0.277 241 I C 0.152 175.883 176.117 -0.643 0.000 1.169 241 I CA 0.674 61.745 61.300 -0.382 0.000 1.419 241 I CB 0.166 38.000 38.000 -0.277 0.000 1.331 241 I HN 0.160 nan 8.210 nan 0.000 0.458 242 F N 0.425 120.359 119.950 -0.027 0.000 2.641 242 F HA 0.394 4.922 4.527 0.002 0.000 0.308 242 F C -0.421 175.366 175.800 -0.022 0.000 1.105 242 F CA -0.951 57.044 58.000 -0.009 0.000 0.964 242 F CB 1.525 40.534 39.000 0.015 0.000 1.294 242 F HN -0.206 nan 8.300 nan 0.000 0.442 243 E N 2.230 122.544 120.200 0.190 0.000 2.214 243 E HA 0.557 4.908 4.350 0.002 0.000 0.274 243 E C -0.950 175.681 176.600 0.052 0.000 0.977 243 E CA -0.759 55.688 56.400 0.078 0.000 0.827 243 E CB 2.192 31.917 29.700 0.042 0.000 1.130 243 E HN 0.405 nan 8.360 nan 0.000 0.394 244 I N 3.185 123.754 120.570 -0.001 0.000 2.287 244 I HA 0.038 4.209 4.170 0.002 0.000 0.290 244 I C 1.016 177.100 176.117 -0.054 0.000 1.069 244 I CA -0.246 61.028 61.300 -0.044 0.000 1.237 244 I CB 0.818 38.781 38.000 -0.061 0.000 1.418 244 I HN 0.409 nan 8.210 nan 0.000 0.481 245 V N 4.029 123.904 119.914 -0.065 0.000 2.302 245 V HA -0.070 4.051 4.120 0.002 0.000 0.243 245 V C 0.946 176.998 176.094 -0.069 0.000 1.036 245 V CA 1.401 63.663 62.300 -0.063 0.000 1.020 245 V CB -0.302 31.477 31.823 -0.073 0.000 0.657 245 V HN 0.892 nan 8.190 nan 0.000 0.453 246 S N -0.929 114.718 115.700 -0.087 0.000 2.565 246 S HA 0.608 5.079 4.470 0.002 0.000 0.269 246 S C -0.708 173.837 174.600 -0.091 0.000 1.153 246 S CA -0.141 58.012 58.200 -0.078 0.000 0.835 246 S CB 2.219 65.378 63.200 -0.068 0.000 1.122 246 S HN 0.477 nan 8.310 nan 0.000 0.462 247 T N -0.705 113.805 114.554 -0.073 0.000 2.886 247 T HA 0.754 5.105 4.350 0.002 0.000 0.292 247 T C -1.872 172.799 174.700 -0.048 0.000 1.012 247 T CA -0.657 61.400 62.100 -0.073 0.000 0.982 247 T CB 1.604 70.429 68.868 -0.073 0.000 1.018 247 T HN 0.581 nan 8.240 nan 0.000 0.451 248 D N 1.672 122.050 120.400 -0.037 0.000 2.433 248 D HA 0.437 5.078 4.640 0.002 0.000 0.236 248 D C -0.819 175.480 176.300 -0.002 0.000 1.026 248 D CA -0.470 53.523 54.000 -0.011 0.000 0.884 248 D CB 2.678 43.481 40.800 0.006 0.000 1.384 248 D HN 0.679 nan 8.370 nan 0.000 0.477 249 Q N 0.414 120.217 119.800 0.005 0.000 2.347 249 Q HA 0.557 4.898 4.340 0.002 0.000 0.271 249 Q C -1.583 174.430 176.000 0.021 0.000 1.064 249 Q CA -0.461 55.350 55.803 0.012 0.000 0.800 249 Q CB 1.976 30.715 28.738 0.002 0.000 1.304 249 Q HN 0.416 nan 8.270 nan 0.000 0.438 250 T N 2.952 117.525 114.554 0.032 0.000 2.894 250 T HA 0.492 4.843 4.350 0.002 0.000 0.309 250 T C -0.767 173.952 174.700 0.032 0.000 1.208 250 T CA -0.526 61.592 62.100 0.030 0.000 1.016 250 T CB 0.959 69.847 68.868 0.033 0.000 1.192 250 T HN 0.510 nan 8.240 nan 0.000 0.491 251 I N 2.479 123.063 120.570 0.025 0.000 2.331 251 I HA 0.265 4.436 4.170 0.002 0.000 0.292 251 I C -0.623 175.504 176.117 0.016 0.000 0.998 251 I CA -0.869 60.444 61.300 0.022 0.000 1.267 251 I CB 0.893 38.904 38.000 0.018 0.000 1.386 251 I HN 0.269 nan 8.210 nan 0.000 0.476 252 L N 9.833 131.064 121.223 0.013 0.000 2.360 252 L HA 0.279 4.620 4.340 0.002 0.000 0.276 252 L C -1.845 175.021 176.870 -0.007 0.000 1.121 252 L CA -2.072 52.767 54.840 -0.001 0.000 0.845 252 L CB -0.457 41.595 42.059 -0.012 0.000 1.143 252 L HN 0.347 nan 8.230 nan 0.000 0.452 253 P HA -0.018 nan 4.420 nan 0.000 0.266 253 P C -0.325 176.964 177.300 -0.020 0.000 1.195 253 P CA 0.016 63.110 63.100 -0.010 0.000 0.768 253 P CB 0.472 32.167 31.700 -0.008 0.000 0.838 254 D N 0.550 120.939 120.400 -0.019 0.000 2.772 254 D HA -0.119 4.522 4.640 0.002 0.000 0.233 254 D C 0.337 176.610 176.300 -0.045 0.000 1.143 254 D CA 1.606 55.588 54.000 -0.029 0.000 0.700 254 D CB -1.873 38.908 40.800 -0.032 0.000 1.076 254 D HN 0.628 nan 8.370 nan 0.000 0.430 255 T N -3.767 110.765 114.554 -0.036 0.000 3.288 255 T HA 0.221 4.572 4.350 0.002 0.000 0.293 255 T C 1.130 175.814 174.700 -0.025 0.000 1.008 255 T CA -0.200 61.872 62.100 -0.047 0.000 0.929 255 T CB 1.040 69.884 68.868 -0.041 0.000 1.152 255 T HN 0.194 nan 8.240 nan 0.000 0.517 256 E N 2.574 122.766 120.200 -0.014 0.000 2.153 256 E HA -0.209 4.142 4.350 0.002 0.000 0.194 256 E C 2.058 178.667 176.600 0.016 0.000 0.988 256 E CA 1.268 57.672 56.400 0.006 0.000 0.811 256 E CB -0.032 29.675 29.700 0.012 0.000 0.746 256 E HN 0.753 nan 8.360 nan 0.000 0.466 257 K N -0.174 120.226 120.400 0.000 0.000 2.439 257 K HA 0.053 4.374 4.320 0.002 0.000 0.197 257 K C 1.921 178.554 176.600 0.055 0.000 1.041 257 K CA 0.754 57.058 56.287 0.028 0.000 0.970 257 K CB 0.022 32.523 32.500 0.001 0.000 0.773 257 K HN 0.078 nan 8.250 nan 0.000 0.479 258 A N 2.426 125.258 122.820 0.021 0.000 1.873 258 A HA -0.121 4.200 4.320 0.002 0.000 0.218 258 A C 1.343 179.002 177.584 0.126 0.000 1.193 258 A CA 1.709 53.789 52.037 0.072 0.000 0.629 258 A CB -0.467 18.552 19.000 0.033 0.000 0.826 258 A HN 0.593 nan 8.150 nan 0.000 0.447 259 M N -1.775 117.879 119.600 0.090 0.000 2.238 259 M HA 0.534 5.015 4.480 0.002 0.000 0.278 259 M C -1.620 174.694 176.300 0.023 0.000 1.040 259 M CA -0.332 55.022 55.300 0.090 0.000 0.969 259 M CB 2.204 34.871 32.600 0.110 0.000 1.694 259 M HN -0.049 nan 8.290 nan 0.000 0.472 260 K N 3.677 124.064 120.400 -0.023 0.000 2.443 260 K HA 0.838 5.160 4.320 0.002 0.000 0.252 260 K C -1.786 174.584 176.600 -0.382 0.000 0.933 260 K CA -0.748 55.441 56.287 -0.163 0.000 0.792 260 K CB 2.859 35.301 32.500 -0.097 0.000 1.185 260 K HN 0.600 nan 8.250 nan 0.000 0.425 261 L N 3.493 124.409 121.223 -0.512 0.000 2.439 261 L HA 0.358 4.699 4.340 0.002 0.000 0.270 261 L C -0.861 175.703 176.870 -0.510 0.000 0.972 261 L CA -0.715 53.788 54.840 -0.561 0.000 0.836 261 L CB 1.390 43.148 42.059 -0.502 0.000 1.255 261 L HN 0.532 nan 8.230 nan 0.000 0.404 262 H N 3.082 122.095 119.070 -0.094 0.000 2.469 262 H HA 0.481 5.039 4.556 0.002 0.000 0.342 262 H C -0.816 174.471 175.328 -0.068 0.000 1.115 262 H CA -0.902 55.107 56.048 -0.065 0.000 1.204 262 H CB 2.771 32.507 29.762 -0.042 0.000 1.492 262 H HN 0.363 nan 8.280 nan 0.000 0.499 263 L N 4.677 125.938 121.223 0.063 0.000 2.282 263 L HA 0.267 4.608 4.340 0.002 0.000 0.287 263 L C -0.178 176.701 176.870 0.014 0.000 1.075 263 L CA -0.183 54.663 54.840 0.010 0.000 0.839 263 L CB -0.382 41.665 42.059 -0.020 0.000 1.219 263 L HN 0.436 nan 8.230 nan 0.000 0.434 264 R N 2.819 123.327 120.500 0.013 0.000 2.960 264 R HA 0.348 4.689 4.340 0.002 0.000 0.249 264 R C 0.720 177.017 176.300 -0.005 0.000 1.192 264 R CA -0.753 55.348 56.100 0.001 0.000 1.035 264 R CB 0.416 30.716 30.300 -0.000 0.000 1.234 264 R HN 0.481 nan 8.270 nan 0.000 0.493 265 E N 0.394 120.587 120.200 -0.012 0.000 2.209 265 E HA -0.103 4.248 4.350 0.002 0.000 0.196 265 E C 1.310 177.907 176.600 -0.006 0.000 0.993 265 E CA 1.579 57.973 56.400 -0.010 0.000 0.819 265 E CB -0.067 29.625 29.700 -0.013 0.000 0.745 265 E HN 0.773 nan 8.360 nan 0.000 0.477 266 G N -0.142 108.651 108.800 -0.012 0.000 3.141 266 G HA2 0.398 4.359 3.960 0.002 0.000 0.218 266 G HA3 0.398 4.359 3.960 0.002 0.000 0.218 266 G C 0.487 175.432 174.900 0.076 0.000 1.170 266 G CA 0.163 45.260 45.100 -0.005 0.000 0.769 266 G HN 0.443 nan 8.290 nan 0.000 0.546 267 G N -0.579 108.257 108.800 0.060 0.000 2.483 267 G HA2 0.087 4.048 3.960 0.002 0.000 0.521 267 G HA3 0.087 4.048 3.960 0.002 0.000 0.521 267 G C -0.874 174.074 174.900 0.080 0.000 1.278 267 G CA -0.474 44.672 45.100 0.076 0.000 0.965 267 G HN 0.795 nan 8.290 nan 0.000 0.504 268 L N 1.837 123.100 121.223 0.066 0.000 2.385 268 L HA 0.600 4.941 4.340 0.002 0.000 0.281 268 L C 1.565 178.476 176.870 0.068 0.000 1.106 268 L CA 0.705 55.544 54.840 -0.001 0.000 0.856 268 L CB 0.161 42.164 42.059 -0.094 0.000 1.186 268 L HN 1.248 nan 8.230 nan 0.000 0.453 269 T N 1.750 116.282 114.554 -0.037 0.000 2.816 269 T HA 0.479 4.830 4.350 0.002 0.000 0.282 269 T C -0.192 174.421 174.700 -0.145 0.000 0.993 269 T CA -0.319 61.739 62.100 -0.070 0.000 0.994 269 T CB 0.650 69.487 68.868 -0.051 0.000 1.025 269 T HN 0.337 nan 8.240 nan 0.000 0.529 270 F N 0.520 120.453 119.950 -0.027 0.000 2.539 270 F HA 0.439 4.967 4.527 0.002 0.000 0.318 270 F C 0.079 175.909 175.800 0.051 0.000 1.135 270 F CA -0.797 57.216 58.000 0.023 0.000 0.915 270 F CB 2.452 41.512 39.000 0.100 0.000 1.176 270 F HN 0.667 nan 8.300 nan 0.000 0.440 271 Q N 6.101 126.043 119.800 0.237 0.000 2.397 271 Q HA 0.486 4.828 4.340 0.002 0.000 0.260 271 Q C -2.100 174.035 176.000 0.225 0.000 1.002 271 Q CA -0.419 55.505 55.803 0.201 0.000 0.716 271 Q CB 1.418 30.233 28.738 0.128 0.000 1.258 271 Q HN 0.756 nan 8.270 nan 0.000 0.477 272 L N 4.158 125.519 121.223 0.230 0.000 2.372 272 L HA 0.426 4.767 4.340 0.002 0.000 0.273 272 L C -0.862 176.083 176.870 0.125 0.000 0.989 272 L CA -0.852 54.114 54.840 0.210 0.000 0.841 272 L CB 1.326 43.514 42.059 0.216 0.000 1.225 272 L HN 0.770 nan 8.230 nan 0.000 0.414 273 H N 3.001 122.116 119.070 0.075 0.000 2.764 273 H HA 0.063 4.620 4.556 0.002 0.000 0.341 273 H C 1.087 176.430 175.328 0.025 0.000 1.072 273 H CA 0.582 56.656 56.048 0.043 0.000 1.444 273 H CB 1.076 30.856 29.762 0.030 0.000 1.458 273 H HN 0.511 nan 8.280 nan 0.000 0.572 274 R N 2.192 122.533 120.500 -0.264 0.000 2.241 274 R HA -0.108 4.233 4.340 0.002 0.000 0.224 274 R C 0.079 176.422 176.300 0.073 0.000 1.101 274 R CA 1.371 57.426 56.100 -0.075 0.000 0.995 274 R CB 0.246 30.468 30.300 -0.131 0.000 0.870 274 R HN 0.683 nan 8.270 nan 0.000 0.463 275 D N -0.102 120.482 120.400 0.306 0.000 2.336 275 D HA 0.003 4.644 4.640 0.002 0.000 0.228 275 D C 1.371 177.719 176.300 0.080 0.000 1.120 275 D CA 0.062 54.169 54.000 0.179 0.000 0.839 275 D CB 0.602 41.510 40.800 0.180 0.000 0.932 275 D HN 0.010 nan 8.370 nan 0.000 0.509 276 V N 1.735 121.699 119.914 0.083 0.000 2.282 276 V HA -0.222 3.899 4.120 0.002 0.000 0.249 276 V C -0.504 175.547 176.094 -0.071 0.000 1.057 276 V CA 1.905 64.209 62.300 0.006 0.000 1.032 276 V CB -1.146 30.695 31.823 0.030 0.000 0.645 276 V HN 0.208 nan 8.190 nan 0.000 0.447 277 P HA -0.156 nan 4.420 nan 0.000 0.215 277 P C 1.936 179.160 177.300 -0.126 0.000 1.157 277 P CA 1.513 64.540 63.100 -0.120 0.000 0.868 277 P CB -0.076 31.574 31.700 -0.083 0.000 0.788 278 L N -2.056 119.120 121.223 -0.079 0.000 2.141 278 L HA -0.128 4.213 4.340 0.002 0.000 0.209 278 L C 2.448 179.264 176.870 -0.091 0.000 1.094 278 L CA 1.367 56.162 54.840 -0.074 0.000 0.763 278 L CB -0.739 41.295 42.059 -0.041 0.000 0.908 278 L HN -0.002 nan 8.230 nan 0.000 0.437 279 M N -1.333 118.211 119.600 -0.094 0.000 2.229 279 M HA -0.149 4.332 4.480 0.002 0.000 0.264 279 M C 2.181 178.390 176.300 -0.150 0.000 1.063 279 M CA 1.111 56.347 55.300 -0.105 0.000 1.114 279 M CB -0.331 32.213 32.600 -0.093 0.000 1.387 279 M HN 0.062 nan 8.290 nan 0.000 0.420 280 V N 0.385 120.163 119.914 -0.226 0.000 2.453 280 V HA -0.160 3.961 4.120 0.002 0.000 0.247 280 V C 2.671 178.612 176.094 -0.254 0.000 1.048 280 V CA 1.817 63.912 62.300 -0.341 0.000 1.049 280 V CB -1.071 30.384 31.823 -0.612 0.000 0.672 280 V HN 0.495 nan 8.190 nan 0.000 0.457 281 A N -0.019 122.686 122.820 -0.192 0.000 1.933 281 A HA -0.255 4.066 4.320 0.002 0.000 0.218 281 A C 2.339 179.857 177.584 -0.110 0.000 1.175 281 A CA 2.107 54.057 52.037 -0.145 0.000 0.628 281 A CB -0.455 18.480 19.000 -0.107 0.000 0.814 281 A HN 0.523 nan 8.150 nan 0.000 0.444 282 K N -0.460 119.883 120.400 -0.095 0.000 2.097 282 K HA -0.111 4.210 4.320 0.002 0.000 0.205 282 K C 1.109 177.671 176.600 -0.063 0.000 1.050 282 K CA 1.517 57.764 56.287 -0.066 0.000 0.938 282 K CB -0.139 32.327 32.500 -0.058 0.000 0.718 282 K HN 0.498 nan 8.250 nan 0.000 0.442 283 N N 0.409 119.056 118.700 -0.087 0.000 2.282 283 N HA -0.035 4.706 4.740 0.002 0.000 0.185 283 N C 1.520 176.974 175.510 -0.095 0.000 1.099 283 N CA 0.240 53.247 53.050 -0.072 0.000 0.878 283 N CB 0.303 38.749 38.487 -0.068 0.000 0.993 283 N HN 0.146 nan 8.380 nan 0.000 0.481 284 I N 2.271 122.750 120.570 -0.152 0.000 2.439 284 I HA -0.144 4.027 4.170 0.002 0.000 0.251 284 I C 1.810 177.829 176.117 -0.165 0.000 1.139 284 I CA 1.314 62.474 61.300 -0.232 0.000 1.438 284 I CB 0.078 37.878 38.000 -0.334 0.000 1.085 284 I HN 0.022 nan 8.210 nan 0.000 0.427 285 E N 0.080 120.225 120.200 -0.093 0.000 2.106 285 E HA -0.184 4.167 4.350 0.002 0.000 0.192 285 E C 1.746 178.359 176.600 0.022 0.000 0.984 285 E CA 1.073 57.451 56.400 -0.036 0.000 0.806 285 E CB -0.261 29.499 29.700 0.101 0.000 0.750 285 E HN 0.489 nan 8.360 nan 0.000 0.458 286 N N 0.988 119.704 118.700 0.026 0.000 2.166 286 N HA -0.117 4.624 4.740 0.002 0.000 0.186 286 N C 1.694 177.237 175.510 0.055 0.000 1.019 286 N CA 1.281 54.362 53.050 0.052 0.000 0.856 286 N CB -0.285 38.223 38.487 0.036 0.000 0.993 286 N HN 0.156 nan 8.380 nan 0.000 0.426 287 A N 0.888 123.736 122.820 0.046 0.000 1.930 287 A HA 0.102 4.423 4.320 0.002 0.000 0.217 287 A C 2.361 180.046 177.584 0.169 0.000 1.175 287 A CA 1.673 53.784 52.037 0.124 0.000 0.627 287 A CB -0.726 18.371 19.000 0.162 0.000 0.815 287 A HN 0.294 nan 8.150 nan 0.000 0.443 288 A N 0.090 122.986 122.820 0.128 0.000 1.877 288 A HA -0.200 4.122 4.320 0.002 0.000 0.216 288 A C 1.921 179.451 177.584 -0.089 0.000 1.186 288 A CA 1.732 53.743 52.037 -0.043 0.000 0.620 288 A CB -0.581 18.126 19.000 -0.489 0.000 0.822 288 A HN 0.630 nan 8.150 nan 0.000 0.443 289 E N -0.597 119.623 120.200 0.033 0.000 2.072 289 E HA -0.198 4.153 4.350 0.002 0.000 0.191 289 E C 2.098 178.793 176.600 0.160 0.000 0.985 289 E CA 1.345 57.899 56.400 0.257 0.000 0.801 289 E CB -0.136 29.739 29.700 0.291 0.000 0.750 289 E HN 0.672 nan 8.360 nan 0.000 0.452 290 K N 0.748 121.209 120.400 0.101 0.000 2.097 290 K HA -0.111 4.210 4.320 0.002 0.000 0.206 290 K C 2.027 178.657 176.600 0.050 0.000 1.049 290 K CA 1.174 57.504 56.287 0.072 0.000 0.933 290 K CB -0.026 32.510 32.500 0.059 0.000 0.717 290 K HN 0.084 nan 8.250 nan 0.000 0.442 291 A N 0.543 123.384 122.820 0.034 0.000 1.930 291 A HA 0.034 4.355 4.320 0.002 0.000 0.215 291 A C 1.910 179.487 177.584 -0.012 0.000 1.176 291 A CA 0.804 52.832 52.037 -0.015 0.000 0.632 291 A CB -0.180 18.774 19.000 -0.077 0.000 0.819 291 A HN 0.289 nan 8.150 nan 0.000 0.445 292 L N -1.160 120.090 121.223 0.046 0.000 2.408 292 L HA 0.033 4.374 4.340 0.002 0.000 0.215 292 L C 2.536 179.482 176.870 0.127 0.000 1.081 292 L CA 0.585 55.483 54.840 0.095 0.000 0.840 292 L CB -0.152 42.043 42.059 0.227 0.000 1.002 292 L HN 0.230 nan 8.230 nan 0.000 0.468 293 S N 0.713 116.500 115.700 0.145 0.000 2.370 293 S HA -0.088 4.384 4.470 0.002 0.000 0.226 293 S C -0.520 174.116 174.600 0.061 0.000 1.033 293 S CA 1.379 59.644 58.200 0.109 0.000 1.011 293 S CB -1.006 62.259 63.200 0.108 0.000 0.852 293 S HN 0.292 nan 8.310 nan 0.000 0.457 294 P HA -0.015 nan 4.420 nan 0.000 0.221 294 P C 0.707 178.016 177.300 0.014 0.000 1.145 294 P CA 0.783 63.897 63.100 0.022 0.000 0.795 294 P CB 0.032 31.738 31.700 0.011 0.000 0.775 295 L N -2.303 118.930 121.223 0.017 0.000 2.607 295 L HA 0.369 4.710 4.340 0.002 0.000 0.228 295 L C 1.550 178.431 176.870 0.018 0.000 1.123 295 L CA 0.681 55.526 54.840 0.008 0.000 0.890 295 L CB -1.464 40.592 42.059 -0.005 0.000 1.103 295 L HN 0.104 nan 8.230 nan 0.000 0.468 296 G N 0.385 109.202 108.800 0.029 0.000 2.160 296 G HA2 -0.285 3.676 3.960 0.002 0.000 0.251 296 G HA3 -0.285 3.676 3.960 0.002 0.000 0.251 296 G C 0.389 175.308 174.900 0.031 0.000 1.008 296 G CA 0.223 45.338 45.100 0.025 0.000 0.724 296 G HN 0.318 nan 8.290 nan 0.000 0.514 297 I N 1.103 121.709 120.570 0.060 0.000 2.339 297 I HA 0.423 4.594 4.170 0.002 0.000 0.290 297 I C 1.348 177.527 176.117 0.102 0.000 0.994 297 I CA 0.115 61.462 61.300 0.078 0.000 1.191 297 I CB 1.723 39.785 38.000 0.103 0.000 1.343 297 I HN 0.211 nan 8.210 nan 0.000 0.458 298 T N -0.976 113.554 114.554 -0.039 0.000 2.986 298 T HA 0.088 4.439 4.350 0.002 0.000 0.264 298 T C 0.208 174.539 174.700 -0.614 0.000 0.964 298 T CA -0.270 61.649 62.100 -0.300 0.000 0.895 298 T CB 0.102 68.832 68.868 -0.230 0.000 1.163 298 T HN 0.421 nan 8.240 nan 0.000 0.517 299 D N 0.730 120.977 120.400 -0.255 0.000 2.380 299 D HA 0.226 4.867 4.640 0.002 0.000 0.230 299 D C 0.372 176.749 176.300 0.128 0.000 1.154 299 D CA -1.030 52.855 54.000 -0.191 0.000 0.859 299 D CB 0.291 41.055 40.800 -0.061 0.000 1.045 299 D HN 0.425 nan 8.370 nan 0.000 0.495 300 W N 2.500 123.917 121.300 0.196 0.000 2.387 300 W HA -0.093 4.568 4.660 0.002 0.000 0.272 300 W C 1.567 178.343 176.519 0.428 0.000 1.224 300 W CA -0.464 57.102 57.345 0.368 0.000 1.210 300 W CB 0.055 29.668 29.460 0.255 0.000 1.125 300 W HN 0.366 nan 8.180 nan 0.000 0.572 301 N N 0.098 119.058 118.700 0.434 0.000 2.412 301 N HA -0.068 4.673 4.740 0.002 0.000 0.184 301 N C 1.596 177.268 175.510 0.270 0.000 1.101 301 N CA 1.227 54.483 53.050 0.343 0.000 0.881 301 N CB -0.031 38.579 38.487 0.205 0.000 0.969 301 N HN 0.075 nan 8.380 nan 0.000 0.459 302 S N -0.298 115.541 115.700 0.232 0.000 2.650 302 S HA 0.088 4.559 4.470 0.002 0.000 0.219 302 S C 0.711 175.390 174.600 0.131 0.000 0.960 302 S CA -0.359 57.933 58.200 0.153 0.000 0.925 302 S CB -0.513 62.749 63.200 0.104 0.000 0.775 302 S HN 0.038 nan 8.310 nan 0.000 0.525 303 V N -1.559 118.436 119.914 0.134 0.000 3.102 303 V HA 0.896 5.017 4.120 0.002 0.000 0.312 303 V C -0.601 175.389 176.094 -0.172 0.000 1.135 303 V CA -1.819 60.414 62.300 -0.111 0.000 1.022 303 V CB 1.164 32.741 31.823 -0.410 0.000 1.056 303 V HN 0.303 nan 8.190 nan 0.000 0.436 304 F N -0.262 119.484 119.950 -0.341 0.000 2.399 304 F HA 0.935 5.463 4.527 0.002 0.000 0.328 304 F C -1.043 174.421 175.800 -0.559 0.000 1.084 304 F CA -1.513 56.346 58.000 -0.233 0.000 1.053 304 F CB 1.054 40.000 39.000 -0.090 0.000 1.209 304 F HN 0.578 nan 8.300 nan 0.000 0.502 305 W N 2.834 124.180 121.300 0.076 0.000 2.739 305 W HA 0.690 5.351 4.660 0.002 0.000 0.331 305 W C -1.290 175.241 176.519 0.019 0.000 1.049 305 W CA -0.866 56.447 57.345 -0.054 0.000 1.234 305 W CB 2.219 31.687 29.460 0.014 0.000 1.404 305 W HN 0.351 nan 8.180 nan 0.000 0.477 306 M N 3.937 123.609 119.600 0.120 0.000 2.043 306 M HA 0.432 4.913 4.480 0.002 0.000 0.322 306 M C -0.991 175.389 176.300 0.133 0.000 0.962 306 M CA -0.559 54.806 55.300 0.108 0.000 0.927 306 M CB 1.138 33.741 32.600 0.004 0.000 1.466 306 M HN 0.001 nan 8.290 nan 0.000 0.412 307 V N 1.589 121.629 119.914 0.209 0.000 2.409 307 V HA 0.242 4.364 4.120 0.002 0.000 0.291 307 V C -0.236 175.990 176.094 0.220 0.000 1.020 307 V CA -0.862 61.602 62.300 0.273 0.000 0.848 307 V CB 1.142 33.178 31.823 0.355 0.000 0.990 307 V HN 0.726 nan 8.190 nan 0.000 0.430 308 H N 8.208 127.328 119.070 0.084 0.000 3.107 308 H HA 0.110 4.668 4.556 0.002 0.000 0.301 308 H C -2.033 173.436 175.328 0.235 0.000 0.981 308 H CA -0.965 55.147 56.048 0.106 0.000 1.443 308 H CB 1.042 30.816 29.762 0.020 0.000 1.479 308 H HN 0.401 nan 8.280 nan 0.000 0.564 309 P HA 0.119 nan 4.420 nan 0.000 0.214 309 P C 0.974 178.101 177.300 -0.289 0.000 1.826 309 P CA 0.051 63.029 63.100 -0.204 0.000 0.977 309 P CB 0.262 31.880 31.700 -0.137 0.000 1.930 310 G N 1.085 109.828 108.800 -0.095 0.000 2.469 310 G HA2 -0.015 3.947 3.960 0.002 0.000 0.220 310 G HA3 -0.015 3.947 3.960 0.002 0.000 0.220 310 G C 0.714 175.586 174.900 -0.047 0.000 1.136 310 G CA 0.701 45.857 45.100 0.094 0.000 0.759 310 G HN 0.615 nan 8.290 nan 0.000 0.562 311 G N -2.560 106.203 108.800 -0.061 0.000 2.677 311 G HA2 0.434 4.395 3.960 0.002 0.000 0.291 311 G HA3 0.434 4.395 3.960 0.002 0.000 0.291 311 G C 0.340 175.195 174.900 -0.075 0.000 1.435 311 G CA -0.054 44.986 45.100 -0.100 0.000 0.826 311 G HN 0.041 nan 8.290 nan 0.000 0.491 312 R N -0.069 120.384 120.500 -0.078 0.000 2.117 312 R HA -0.143 4.198 4.340 0.002 0.000 0.243 312 R C 2.521 178.793 176.300 -0.047 0.000 1.143 312 R CA 2.332 58.398 56.100 -0.056 0.000 0.968 312 R CB -0.339 29.924 30.300 -0.061 0.000 0.863 312 R HN 0.566 nan 8.270 nan 0.000 0.444 313 A N 0.664 123.450 122.820 -0.056 0.000 2.015 313 A HA -0.069 4.252 4.320 0.002 0.000 0.219 313 A C 2.106 179.649 177.584 -0.068 0.000 1.163 313 A CA 0.904 52.907 52.037 -0.056 0.000 0.646 313 A CB -0.288 18.678 19.000 -0.057 0.000 0.806 313 A HN 0.323 nan 8.150 nan 0.000 0.448 314 I N -0.248 120.280 120.570 -0.072 0.000 2.202 314 I HA -0.253 3.918 4.170 0.002 0.000 0.242 314 I C 2.323 178.404 176.117 -0.060 0.000 1.091 314 I CA 1.040 62.277 61.300 -0.105 0.000 1.368 314 I CB -0.353 37.586 38.000 -0.102 0.000 1.058 314 I HN 0.302 nan 8.210 nan 0.000 0.410 315 L N 0.319 121.539 121.223 -0.006 0.000 2.012 315 L HA -0.275 4.066 4.340 0.002 0.000 0.210 315 L C 2.209 179.069 176.870 -0.016 0.000 1.073 315 L CA 1.432 56.285 54.840 0.021 0.000 0.748 315 L CB -0.861 41.215 42.059 0.029 0.000 0.891 315 L HN 0.275 nan 8.230 nan 0.000 0.431 316 D N -0.579 119.802 120.400 -0.031 0.000 2.117 316 D HA -0.178 4.463 4.640 0.002 0.000 0.197 316 D C 2.408 178.675 176.300 -0.055 0.000 0.987 316 D CA 0.960 54.937 54.000 -0.037 0.000 0.829 316 D CB -0.165 40.613 40.800 -0.037 0.000 0.961 316 D HN 0.270 nan 8.370 nan 0.000 0.460 317 Q N 0.256 120.012 119.800 -0.073 0.000 2.119 317 Q HA -0.057 4.284 4.340 0.002 0.000 0.201 317 Q C 2.474 178.409 176.000 -0.110 0.000 0.972 317 Q CA 0.451 56.198 55.803 -0.093 0.000 0.847 317 Q CB -0.319 28.349 28.738 -0.118 0.000 0.903 317 Q HN 0.233 nan 8.270 nan 0.000 0.433 318 V N 1.166 121.013 119.914 -0.113 0.000 2.358 318 V HA -0.239 3.882 4.120 0.002 0.000 0.246 318 V C 2.328 178.329 176.094 -0.154 0.000 1.047 318 V CA 2.013 64.231 62.300 -0.137 0.000 1.035 318 V CB -0.535 31.249 31.823 -0.065 0.000 0.658 318 V HN 0.426 nan 8.190 nan 0.000 0.452 319 E N 0.283 120.417 120.200 -0.109 0.000 2.110 319 E HA -0.280 4.072 4.350 0.002 0.000 0.193 319 E C 2.410 178.964 176.600 -0.078 0.000 0.988 319 E CA 1.493 57.830 56.400 -0.105 0.000 0.804 319 E CB -0.064 29.604 29.700 -0.054 0.000 0.745 319 E HN 0.522 nan 8.360 nan 0.000 0.458 320 R N 0.425 120.887 120.500 -0.063 0.000 2.061 320 R HA -0.098 4.243 4.340 0.002 0.000 0.230 320 R C 2.246 178.525 176.300 -0.035 0.000 1.140 320 R CA 1.383 57.459 56.100 -0.041 0.000 0.940 320 R CB 0.012 30.288 30.300 -0.040 0.000 0.839 320 R HN -0.044 nan 8.270 nan 0.000 0.429 321 K N 0.526 120.892 120.400 -0.057 0.000 2.209 321 K HA -0.088 4.233 4.320 0.002 0.000 0.204 321 K C 1.848 178.442 176.600 -0.010 0.000 1.048 321 K CA 0.976 57.239 56.287 -0.040 0.000 0.940 321 K CB 0.042 32.497 32.500 -0.075 0.000 0.729 321 K HN 0.347 nan 8.250 nan 0.000 0.451 322 L N 0.301 121.479 121.223 -0.074 0.000 2.607 322 L HA 0.091 4.432 4.340 0.002 0.000 0.228 322 L C 0.486 177.444 176.870 0.145 0.000 1.123 322 L CA -0.130 54.703 54.840 -0.012 0.000 0.890 322 L CB -0.407 41.394 42.059 -0.431 0.000 1.103 322 L HN 0.313 nan 8.230 nan 0.000 0.468 323 N N 1.283 120.016 118.700 0.054 0.000 2.740 323 N HA -0.184 4.557 4.740 0.002 0.000 0.248 323 N C -0.458 175.085 175.510 0.055 0.000 1.062 323 N CA -0.134 52.952 53.050 0.059 0.000 0.704 323 N CB -0.330 38.206 38.487 0.082 0.000 0.968 323 N HN 0.063 nan 8.380 nan 0.000 0.547 324 L N 1.801 123.023 121.223 -0.001 0.000 2.397 324 L HA 0.251 4.592 4.340 0.002 0.000 0.271 324 L C 1.021 177.909 176.870 0.030 0.000 1.148 324 L CA 0.447 55.285 54.840 -0.003 0.000 0.825 324 L CB 0.822 42.812 42.059 -0.116 0.000 1.117 324 L HN 0.033 nan 8.230 nan 0.000 0.456 325 K N 2.334 122.772 120.400 0.064 0.000 2.440 325 K HA -0.062 4.259 4.320 0.002 0.000 0.270 325 K C 0.929 177.561 176.600 0.053 0.000 0.980 325 K CA 0.095 56.418 56.287 0.061 0.000 0.953 325 K CB 0.444 32.992 32.500 0.079 0.000 0.925 325 K HN 0.515 nan 8.250 nan 0.000 0.497 326 E N 1.054 121.281 120.200 0.044 0.000 2.267 326 E HA -0.214 4.138 4.350 0.002 0.000 0.197 326 E C 0.867 177.498 176.600 0.052 0.000 0.998 326 E CA 1.595 58.019 56.400 0.039 0.000 0.830 326 E CB 0.079 29.798 29.700 0.032 0.000 0.751 326 E HN 0.537 nan 8.360 nan 0.000 0.491 327 D N -0.574 119.866 120.400 0.067 0.000 2.369 327 D HA -0.038 4.603 4.640 0.002 0.000 0.211 327 D C 1.247 177.612 176.300 0.109 0.000 1.077 327 D CA 0.047 54.094 54.000 0.079 0.000 0.842 327 D CB 0.027 40.871 40.800 0.073 0.000 0.947 327 D HN -0.086 nan 8.370 nan 0.000 0.509 328 K N 0.589 121.064 120.400 0.125 0.000 2.074 328 K HA -0.041 4.281 4.320 0.002 0.000 0.209 328 K C 1.605 178.325 176.600 0.200 0.000 1.048 328 K CA 0.792 57.195 56.287 0.193 0.000 0.926 328 K CB -0.113 32.511 32.500 0.207 0.000 0.713 328 K HN 0.334 nan 8.250 nan 0.000 0.444 329 L N 0.890 122.198 121.223 0.141 0.000 2.685 329 L HA 0.135 4.476 4.340 0.002 0.000 0.233 329 L C 2.182 179.132 176.870 0.133 0.000 1.173 329 L CA -0.187 54.740 54.840 0.146 0.000 0.961 329 L CB -0.148 41.974 42.059 0.105 0.000 1.217 329 L HN 0.124 nan 8.230 nan 0.000 0.478 330 R N 1.584 122.159 120.500 0.125 0.000 2.094 330 R HA -0.245 4.097 4.340 0.002 0.000 0.239 330 R C 2.191 178.579 176.300 0.146 0.000 1.137 330 R CA 2.062 58.234 56.100 0.120 0.000 0.943 330 R CB -0.129 30.230 30.300 0.098 0.000 0.850 330 R HN 0.389 nan 8.270 nan 0.000 0.433 331 A N -0.027 122.874 122.820 0.135 0.000 1.972 331 A HA -0.108 4.213 4.320 0.002 0.000 0.219 331 A C 2.234 179.931 177.584 0.188 0.000 1.169 331 A CA 1.831 53.950 52.037 0.137 0.000 0.635 331 A CB -0.357 18.706 19.000 0.105 0.000 0.810 331 A HN 0.470 nan 8.150 nan 0.000 0.446 332 S N -0.546 115.256 115.700 0.170 0.000 2.371 332 S HA -0.098 4.374 4.470 0.002 0.000 0.224 332 S C 2.060 176.741 174.600 0.135 0.000 1.029 332 S CA 1.185 59.477 58.200 0.153 0.000 0.978 332 S CB -0.248 63.041 63.200 0.148 0.000 0.833 332 S HN 0.623 nan 8.310 nan 0.000 0.466 333 R N 0.041 120.619 120.500 0.129 0.000 2.090 333 R HA -0.050 4.291 4.340 0.002 0.000 0.228 333 R C 2.262 178.633 176.300 0.119 0.000 1.110 333 R CA 1.335 57.491 56.100 0.094 0.000 0.973 333 R CB -0.406 29.940 30.300 0.076 0.000 0.869 333 R HN 0.559 nan 8.270 nan 0.000 0.440 334 H N 0.501 119.616 119.070 0.076 0.000 2.352 334 H HA -0.090 4.467 4.556 0.002 0.000 0.299 334 H C 1.859 177.263 175.328 0.128 0.000 1.097 334 H CA 1.813 57.911 56.048 0.085 0.000 1.311 334 H CB 0.076 29.895 29.762 0.095 0.000 1.377 334 H HN -0.089 nan 8.280 nan 0.000 0.504 335 V N 0.527 120.637 119.914 0.327 0.000 2.295 335 V HA -0.239 3.882 4.120 0.002 0.000 0.246 335 V C 2.587 178.813 176.094 0.219 0.000 1.049 335 V CA 1.656 64.177 62.300 0.368 0.000 1.024 335 V CB -0.752 31.262 31.823 0.319 0.000 0.648 335 V HN 0.433 nan 8.190 nan 0.000 0.447 336 L N 0.078 121.357 121.223 0.093 0.000 2.042 336 L HA -0.155 4.186 4.340 0.002 0.000 0.210 336 L C 2.606 179.456 176.870 -0.032 0.000 1.076 336 L CA 2.484 57.330 54.840 0.010 0.000 0.749 336 L CB -0.796 41.248 42.059 -0.024 0.000 0.893 336 L HN 0.322 nan 8.230 nan 0.000 0.432 337 S N -0.966 114.696 115.700 -0.063 0.000 2.356 337 S HA -0.164 4.307 4.470 0.002 0.000 0.223 337 S C 1.851 176.335 174.600 -0.193 0.000 1.032 337 S CA 1.450 59.572 58.200 -0.130 0.000 1.005 337 S CB -0.310 62.799 63.200 -0.152 0.000 0.867 337 S HN 0.595 nan 8.310 nan 0.000 0.449 338 E N -0.842 119.196 120.200 -0.271 0.000 2.371 338 E HA 0.055 4.406 4.350 0.002 0.000 0.194 338 E C 0.496 176.761 176.600 -0.558 0.000 1.012 338 E CA 0.663 56.783 56.400 -0.467 0.000 0.860 338 E CB 0.088 29.386 29.700 -0.670 0.000 0.811 338 E HN 0.757 nan 8.360 nan 0.000 0.502 339 Y N -1.065 119.225 120.300 -0.015 0.000 2.515 339 Y HA 0.336 4.887 4.550 0.002 0.000 0.267 339 Y C 1.095 176.959 175.900 -0.061 0.000 1.058 339 Y CA 0.152 58.260 58.100 0.013 0.000 1.231 339 Y CB 1.067 39.506 38.460 -0.034 0.000 1.350 339 Y HN 0.026 nan 8.280 nan 0.000 0.554 340 G N 1.643 110.467 108.800 0.040 0.000 2.760 340 G HA2 -0.283 3.678 3.960 0.002 0.000 0.246 340 G HA3 -0.283 3.678 3.960 0.002 0.000 0.246 340 G C -0.805 174.082 174.900 -0.022 0.000 1.359 340 G CA -0.530 44.550 45.100 -0.033 0.000 0.861 340 G HN 0.257 nan 8.290 nan 0.000 0.541 341 N N 0.259 118.926 118.700 -0.055 0.000 2.401 341 N HA 0.323 5.064 4.740 0.002 0.000 0.255 341 N C 1.141 176.744 175.510 0.156 0.000 1.110 341 N CA -0.318 52.728 53.050 -0.007 0.000 0.949 341 N CB 0.333 38.771 38.487 -0.083 0.000 1.110 341 N HN 0.527 nan 8.380 nan 0.000 0.490 342 L N 5.878 127.146 121.223 0.076 0.000 2.728 342 L HA 0.216 4.557 4.340 0.002 0.000 0.235 342 L C 1.095 178.038 176.870 0.122 0.000 1.197 342 L CA -0.176 54.676 54.840 0.021 0.000 0.992 342 L CB -0.729 41.153 42.059 -0.295 0.000 1.263 342 L HN 0.602 nan 8.230 nan 0.000 0.484 343 I N -1.547 119.202 120.570 0.298 0.000 4.909 343 I HA -0.537 3.634 4.170 0.002 0.000 0.038 343 I C 1.972 178.179 176.117 0.151 0.000 0.635 343 I CA 1.387 62.840 61.300 0.256 0.000 0.201 343 I CB -1.197 36.879 38.000 0.127 0.000 0.318 343 I HN 0.447 nan 8.210 nan 0.000 0.151 344 S N 1.253 116.986 115.700 0.055 0.000 2.419 344 S HA -0.016 4.455 4.470 0.002 0.000 0.233 344 S C 1.647 176.268 174.600 0.034 0.000 1.016 344 S CA 1.135 59.343 58.200 0.012 0.000 0.974 344 S CB -0.446 62.749 63.200 -0.008 0.000 0.786 344 S HN 0.877 nan 8.310 nan 0.000 0.492 345 A N 0.117 122.968 122.820 0.052 0.000 2.169 345 A HA 0.146 4.467 4.320 0.002 0.000 0.212 345 A C 2.274 179.932 177.584 0.123 0.000 1.153 345 A CA 0.611 52.705 52.037 0.094 0.000 0.756 345 A CB -1.347 17.716 19.000 0.106 0.000 0.813 345 A HN 0.642 nan 8.150 nan 0.000 0.471 346 C N -0.222 119.127 119.300 0.081 0.000 2.393 346 C HA -0.171 4.290 4.460 0.002 0.000 0.276 346 C C 2.832 177.916 174.990 0.156 0.000 1.215 346 C CA 1.938 60.999 59.018 0.072 0.000 1.743 346 C CB -1.185 26.633 27.740 0.130 0.000 2.044 346 C HN 0.695 nan 8.230 nan 0.000 0.464 347 V N -0.223 119.801 119.914 0.184 0.000 2.626 347 V HA -0.092 4.029 4.120 0.002 0.000 0.252 347 V C 2.083 178.240 176.094 0.106 0.000 1.067 347 V CA 1.988 64.367 62.300 0.131 0.000 1.081 347 V CB -1.005 30.862 31.823 0.074 0.000 0.686 347 V HN 0.624 nan 8.190 nan 0.000 0.468 348 L N -1.514 119.782 121.223 0.122 0.000 2.179 348 L HA 0.063 4.404 4.340 0.002 0.000 0.208 348 L C 2.561 179.509 176.870 0.130 0.000 1.096 348 L CA 1.432 56.325 54.840 0.089 0.000 0.779 348 L CB -0.651 41.447 42.059 0.064 0.000 0.922 348 L HN 0.231 nan 8.230 nan 0.000 0.443 349 F N 0.368 120.289 119.950 -0.048 0.000 2.216 349 F HA -0.202 4.326 4.527 0.002 0.000 0.300 349 F C 2.320 178.125 175.800 0.008 0.000 1.085 349 F CA 0.982 58.942 58.000 -0.066 0.000 1.326 349 F CB -0.170 38.725 39.000 -0.176 0.000 1.027 349 F HN -0.017 nan 8.300 nan 0.000 0.497 350 I N -0.286 120.412 120.570 0.213 0.000 2.353 350 I HA -0.254 3.917 4.170 0.002 0.000 0.248 350 I C 2.155 178.337 176.117 0.108 0.000 1.119 350 I CA 0.940 62.337 61.300 0.161 0.000 1.417 350 I CB -0.321 37.764 38.000 0.142 0.000 1.078 350 I HN 0.080 nan 8.210 nan 0.000 0.421 351 I N 0.719 121.331 120.570 0.070 0.000 2.208 351 I HA -0.330 3.841 4.170 0.002 0.000 0.245 351 I C 2.209 178.402 176.117 0.128 0.000 1.097 351 I CA 1.588 62.920 61.300 0.053 0.000 1.363 351 I CB -0.468 37.543 38.000 0.018 0.000 1.051 351 I HN 0.258 nan 8.210 nan 0.000 0.413 352 D N 0.714 121.156 120.400 0.070 0.000 2.117 352 D HA -0.240 4.401 4.640 0.002 0.000 0.197 352 D C 2.002 178.328 176.300 0.043 0.000 0.987 352 D CA 1.261 55.280 54.000 0.031 0.000 0.829 352 D CB 0.057 40.813 40.800 -0.072 0.000 0.961 352 D HN 0.242 nan 8.370 nan 0.000 0.460 353 E N -0.149 120.092 120.200 0.068 0.000 2.051 353 E HA -0.129 4.222 4.350 0.002 0.000 0.192 353 E C 2.086 178.697 176.600 0.019 0.000 0.991 353 E CA 1.245 57.675 56.400 0.049 0.000 0.799 353 E CB -0.480 29.281 29.700 0.102 0.000 0.748 353 E HN 0.146 nan 8.360 nan 0.000 0.449 354 V N 1.375 121.324 119.914 0.058 0.000 2.255 354 V HA -0.338 3.783 4.120 0.002 0.000 0.247 354 V C 2.573 178.685 176.094 0.030 0.000 1.051 354 V CA 2.675 65.001 62.300 0.044 0.000 1.018 354 V CB -0.829 31.031 31.823 0.061 0.000 0.641 354 V HN 0.426 nan 8.190 nan 0.000 0.445 355 R N 1.063 121.616 120.500 0.088 0.000 2.115 355 R HA -0.088 4.253 4.340 0.002 0.000 0.226 355 R C 2.016 178.286 176.300 -0.050 0.000 1.100 355 R CA 1.470 57.559 56.100 -0.018 0.000 0.980 355 R CB -0.655 29.603 30.300 -0.071 0.000 0.875 355 R HN 0.381 nan 8.270 nan 0.000 0.445 356 K N 0.000 120.384 120.400 -0.027 0.000 2.057 356 K HA -0.048 4.273 4.320 0.002 0.000 0.206 356 K C 2.257 178.831 176.600 -0.044 0.000 1.050 356 K CA 1.255 57.520 56.287 -0.036 0.000 0.935 356 K CB -0.117 32.369 32.500 -0.022 0.000 0.715 356 K HN -0.005 nan 8.250 nan 0.000 0.439 357 R N 1.235 121.705 120.500 -0.050 0.000 2.096 357 R HA -0.032 4.309 4.340 0.002 0.000 0.235 357 R C 2.075 178.345 176.300 -0.050 0.000 1.127 357 R CA 1.713 57.780 56.100 -0.056 0.000 0.968 357 R CB -0.603 29.655 30.300 -0.071 0.000 0.861 357 R HN 0.025 nan 8.270 nan 0.000 0.440 358 S N -0.020 115.644 115.700 -0.060 0.000 2.356 358 S HA -0.116 4.355 4.470 0.002 0.000 0.223 358 S C 1.766 176.327 174.600 -0.066 0.000 1.032 358 S CA 1.459 59.616 58.200 -0.071 0.000 1.005 358 S CB -0.163 62.972 63.200 -0.108 0.000 0.867 358 S HN 0.215 nan 8.310 nan 0.000 0.449 359 M N 1.429 120.987 119.600 -0.070 0.000 2.117 359 M HA 0.016 4.497 4.480 0.002 0.000 0.262 359 M C 2.481 178.755 176.300 -0.043 0.000 1.065 359 M CA 1.408 56.671 55.300 -0.061 0.000 1.114 359 M CB -1.851 30.711 32.600 -0.063 0.000 1.361 359 M HN 0.365 nan 8.290 nan 0.000 0.408 360 A N -0.043 122.755 122.820 -0.037 0.000 1.933 360 A HA -0.155 4.167 4.320 0.002 0.000 0.218 360 A C 2.006 179.576 177.584 -0.023 0.000 1.175 360 A CA 1.567 53.588 52.037 -0.026 0.000 0.628 360 A CB -0.696 18.290 19.000 -0.023 0.000 0.814 360 A HN 0.598 nan 8.150 nan 0.000 0.444 361 E N -1.292 118.893 120.200 -0.025 0.000 2.502 361 E HA 0.241 4.592 4.350 0.002 0.000 0.194 361 E C 0.940 177.528 176.600 -0.019 0.000 1.062 361 E CA 0.211 56.600 56.400 -0.019 0.000 0.867 361 E CB -0.179 29.511 29.700 -0.017 0.000 0.888 361 E HN 0.731 nan 8.360 nan 0.000 0.510 362 G N 2.425 111.209 108.800 -0.026 0.000 2.246 362 G HA2 -0.263 3.698 3.960 0.002 0.000 0.273 362 G HA3 -0.263 3.698 3.960 0.002 0.000 0.273 362 G C 0.060 174.943 174.900 -0.028 0.000 1.055 362 G CA 0.069 45.154 45.100 -0.026 0.000 0.851 362 G HN -0.022 nan 8.290 nan 0.000 0.500 363 K N 0.334 120.713 120.400 -0.036 0.000 2.230 363 K HA 0.365 4.686 4.320 0.002 0.000 0.253 363 K C 1.905 178.480 176.600 -0.042 0.000 1.008 363 K CA 0.300 56.565 56.287 -0.037 0.000 0.910 363 K CB 0.595 33.066 32.500 -0.048 0.000 0.994 363 K HN 0.510 nan 8.250 nan 0.000 0.495 364 S N -1.369 114.311 115.700 -0.034 0.000 2.522 364 S HA -0.059 4.413 4.470 0.002 0.000 0.227 364 S C 0.913 175.483 174.600 -0.050 0.000 0.986 364 S CA 0.596 58.775 58.200 -0.034 0.000 0.929 364 S CB -0.372 62.817 63.200 -0.019 0.000 0.769 364 S HN 0.736 nan 8.310 nan 0.000 0.529 365 T N -2.100 112.412 114.554 -0.069 0.000 2.864 365 T HA 0.485 4.837 4.350 0.002 0.000 0.299 365 T C 0.824 175.429 174.700 -0.159 0.000 1.166 365 T CA -0.054 61.986 62.100 -0.098 0.000 1.007 365 T CB 1.259 70.087 68.868 -0.066 0.000 1.219 365 T HN 0.098 nan 8.240 nan 0.000 0.506 366 T N -1.742 112.665 114.554 -0.244 0.000 3.007 366 T HA 0.185 4.536 4.350 0.002 0.000 0.270 366 T C 1.367 175.879 174.700 -0.313 0.000 1.107 366 T CA 0.712 62.602 62.100 -0.351 0.000 1.118 366 T CB -0.572 67.873 68.868 -0.705 0.000 0.889 366 T HN 1.069 nan 8.240 nan 0.000 0.506 367 G N 1.165 109.753 108.800 -0.354 0.000 4.403 367 G HA2 0.452 4.413 3.960 0.002 0.000 0.297 367 G HA3 0.452 4.413 3.960 0.002 0.000 0.297 367 G C -0.226 174.316 174.900 -0.597 0.000 1.325 367 G CA -0.789 43.730 45.100 -0.969 0.000 1.378 367 G HN 0.475 nan 8.290 nan 0.000 0.595 368 E N -0.507 119.517 120.200 -0.294 0.000 2.440 368 E HA -0.279 4.073 4.350 0.002 0.000 0.246 368 E C 1.549 178.119 176.600 -0.049 0.000 1.165 368 E CA 0.567 56.900 56.400 -0.112 0.000 0.726 368 E CB -1.365 28.315 29.700 -0.033 0.000 1.271 368 E HN 1.339 nan 8.360 nan 0.000 0.397 369 G N -1.391 107.372 108.800 -0.062 0.000 2.189 369 G HA2 -0.321 3.640 3.960 0.002 0.000 0.267 369 G HA3 -0.321 3.640 3.960 0.002 0.000 0.267 369 G C 0.115 175.027 174.900 0.021 0.000 0.975 369 G CA 0.615 45.703 45.100 -0.019 0.000 0.644 369 G HN 0.182 nan 8.290 nan 0.000 0.537 370 L N 0.251 121.507 121.223 0.054 0.000 2.358 370 L HA 0.634 4.975 4.340 0.002 0.000 0.268 370 L C 1.145 178.123 176.870 0.180 0.000 1.032 370 L CA -0.542 54.381 54.840 0.139 0.000 0.805 370 L CB 1.177 43.379 42.059 0.238 0.000 1.253 370 L HN -0.022 nan 8.230 nan 0.000 0.452 371 D N -0.710 119.789 120.400 0.164 0.000 2.162 371 D HA 0.044 4.686 4.640 0.002 0.000 0.205 371 D C 0.002 176.428 176.300 0.210 0.000 0.964 371 D CA 0.990 55.081 54.000 0.152 0.000 0.847 371 D CB 0.329 41.175 40.800 0.076 0.000 0.988 371 D HN 0.347 nan 8.370 nan 0.000 0.480 372 C N 0.012 119.383 119.300 0.120 0.000 2.634 372 C HA 0.824 5.285 4.460 0.002 0.000 0.313 372 C C 0.592 175.203 174.990 -0.633 0.000 1.198 372 C CA -0.660 58.290 59.018 -0.113 0.000 1.605 372 C CB 1.542 29.188 27.740 -0.157 0.000 2.196 372 C HN 0.278 nan 8.230 nan 0.000 0.486 373 G N 0.964 109.018 108.800 -1.244 0.000 2.642 373 G HA2 0.729 4.690 3.960 0.002 0.000 0.293 373 G HA3 0.729 4.690 3.960 0.002 0.000 0.293 373 G C -1.846 172.272 174.900 -1.303 0.000 1.341 373 G CA -0.301 43.490 45.100 -2.182 0.000 0.916 373 G HN 0.642 nan 8.290 nan 0.000 0.474 374 V N 1.366 120.492 119.914 -1.314 0.000 2.588 374 V HA 0.569 4.691 4.120 0.002 0.000 0.304 374 V C -0.870 174.747 176.094 -0.794 0.000 1.042 374 V CA -0.854 60.831 62.300 -1.024 0.000 0.877 374 V CB 1.673 32.737 31.823 -1.266 0.000 0.996 374 V HN 0.750 nan 8.190 nan 0.000 0.425 375 L N 5.458 126.293 121.223 -0.646 0.000 2.329 375 L HA 0.732 5.073 4.340 0.002 0.000 0.279 375 L C -1.436 175.152 176.870 -0.469 0.000 1.014 375 L CA -0.532 54.048 54.840 -0.434 0.000 0.814 375 L CB 1.045 42.924 42.059 -0.299 0.000 1.257 375 L HN 0.509 nan 8.230 nan 0.000 0.424 376 F N 2.710 122.557 119.950 -0.172 0.000 2.507 376 F HA 0.714 5.242 4.527 0.002 0.000 0.325 376 F C 0.814 176.278 175.800 -0.560 0.000 1.116 376 F CA -0.717 57.060 58.000 -0.372 0.000 0.930 376 F CB 2.509 41.219 39.000 -0.484 0.000 1.146 376 F HN 0.692 nan 8.300 nan 0.000 0.447 377 G N 2.300 110.889 108.800 -0.352 0.000 2.416 377 G HA2 0.688 4.649 3.960 0.002 0.000 0.329 377 G HA3 0.688 4.649 3.960 0.002 0.000 0.329 377 G C -1.845 172.768 174.900 -0.479 0.000 1.173 377 G CA -0.422 44.440 45.100 -0.397 0.000 0.929 377 G HN 0.360 nan 8.290 nan 0.000 0.475 378 F N 0.819 120.742 119.950 -0.045 0.000 2.507 378 F HA 0.757 5.285 4.527 0.002 0.000 0.328 378 F C 0.632 176.407 175.800 -0.041 0.000 1.136 378 F CA -0.840 57.154 58.000 -0.010 0.000 0.930 378 F CB 2.447 41.485 39.000 0.063 0.000 1.166 378 F HN 0.767 nan 8.300 nan 0.000 0.436 379 G N 1.846 110.736 108.800 0.151 0.000 2.827 379 G HA2 0.663 4.625 3.960 0.002 0.000 0.296 379 G HA3 0.663 4.625 3.960 0.002 0.000 0.296 379 G C -3.340 171.606 174.900 0.077 0.000 1.362 379 G CA -2.006 43.146 45.100 0.087 0.000 0.809 379 G HN 0.193 nan 8.290 nan 0.000 0.522 380 P HA 0.307 nan 4.420 nan 0.000 0.262 380 P C 0.780 178.100 177.300 0.034 0.000 1.182 380 P CA 1.674 64.797 63.100 0.038 0.000 0.761 380 P CB 1.168 32.874 31.700 0.011 0.000 0.795 381 G N 2.221 111.041 108.800 0.033 0.000 3.675 381 G HA2 -0.130 3.831 3.960 0.002 0.000 0.206 381 G HA3 -0.130 3.831 3.960 0.002 0.000 0.206 381 G C 0.089 175.002 174.900 0.022 0.000 1.086 381 G CA -0.461 44.655 45.100 0.027 0.000 0.894 381 G HN 0.415 nan 8.290 nan 0.000 0.412 382 M N 2.479 122.091 119.600 0.021 0.000 2.248 382 M HA 0.383 4.864 4.480 0.002 0.000 0.345 382 M C -0.117 176.210 176.300 0.045 0.000 1.243 382 M CA 0.920 56.240 55.300 0.034 0.000 1.090 382 M CB 0.778 33.391 32.600 0.021 0.000 1.683 382 M HN 0.208 nan 8.290 nan 0.000 0.450 383 T N 2.888 117.482 114.554 0.067 0.000 2.855 383 T HA 0.583 4.935 4.350 0.002 0.000 0.281 383 T C -0.572 174.198 174.700 0.117 0.000 1.007 383 T CA -0.694 61.447 62.100 0.068 0.000 1.009 383 T CB 1.659 70.554 68.868 0.045 0.000 0.983 383 T HN 0.398 nan 8.240 nan 0.000 0.455 384 V N 2.993 122.973 119.914 0.110 0.000 2.495 384 V HA 0.426 4.547 4.120 0.002 0.000 0.298 384 V C -0.144 175.991 176.094 0.069 0.000 1.031 384 V CA -0.853 61.531 62.300 0.140 0.000 0.871 384 V CB 1.806 33.729 31.823 0.166 0.000 0.988 384 V HN 0.818 nan 8.190 nan 0.000 0.432 385 E N 2.287 122.500 120.200 0.021 0.000 2.171 385 E HA 0.502 4.853 4.350 0.002 0.000 0.271 385 E C -0.946 175.679 176.600 0.041 0.000 0.916 385 E CA -0.449 55.953 56.400 0.004 0.000 0.774 385 E CB 2.233 31.906 29.700 -0.045 0.000 1.128 385 E HN 0.605 nan 8.360 nan 0.000 0.403 386 T N 2.103 116.678 114.554 0.035 0.000 2.833 386 T HA 0.317 4.668 4.350 0.002 0.000 0.297 386 T C -0.373 174.250 174.700 -0.128 0.000 1.015 386 T CA -0.486 61.612 62.100 -0.002 0.000 0.963 386 T CB 0.975 69.911 68.868 0.114 0.000 0.955 386 T HN 0.100 nan 8.240 nan 0.000 0.449 387 V N 4.165 123.946 119.914 -0.223 0.000 2.459 387 V HA 0.475 4.596 4.120 0.002 0.000 0.295 387 V C 0.091 176.005 176.094 -0.301 0.000 1.029 387 V CA -0.819 61.351 62.300 -0.217 0.000 0.874 387 V CB 1.861 33.568 31.823 -0.193 0.000 0.985 387 V HN 0.643 nan 8.190 nan 0.000 0.438 388 V N 6.045 125.807 119.914 -0.254 0.000 2.481 388 V HA 0.453 4.574 4.120 0.002 0.000 0.286 388 V C -0.314 175.626 176.094 -0.257 0.000 1.042 388 V CA -0.501 61.614 62.300 -0.309 0.000 0.928 388 V CB 1.555 33.232 31.823 -0.245 0.000 0.986 388 V HN 0.503 nan 8.190 nan 0.000 0.462 389 L N 4.923 125.951 121.223 -0.326 0.000 2.346 389 L HA 0.598 4.939 4.340 0.002 0.000 0.274 389 L C -0.032 176.818 176.870 -0.032 0.000 1.007 389 L CA -0.398 54.337 54.840 -0.176 0.000 0.818 389 L CB 1.673 43.548 42.059 -0.305 0.000 1.284 389 L HN 0.610 nan 8.230 nan 0.000 0.424 390 R N 1.163 121.730 120.500 0.112 0.000 2.393 390 R HA 0.575 4.916 4.340 0.002 0.000 0.310 390 R C 0.038 176.553 176.300 0.358 0.000 0.968 390 R CA -0.332 55.873 56.100 0.175 0.000 0.867 390 R CB 1.193 31.542 30.300 0.083 0.000 1.124 390 R HN 0.865 nan 8.270 nan 0.000 0.450 391 S N 1.893 117.838 115.700 0.409 0.000 2.606 391 S HA 0.237 4.708 4.470 0.002 0.000 0.257 391 S C -0.030 174.588 174.600 0.031 0.000 1.327 391 S CA -0.743 57.618 58.200 0.269 0.000 0.984 391 S CB 1.323 64.620 63.200 0.161 0.000 0.941 391 S HN 0.303 nan 8.310 nan 0.000 0.576 392 V N 1.466 121.298 119.914 -0.136 0.000 2.448 392 V HA 0.463 4.584 4.120 0.002 0.000 0.295 392 V C 0.311 176.337 176.094 -0.113 0.000 1.025 392 V CA -0.858 61.367 62.300 -0.126 0.000 0.859 392 V CB 1.443 33.159 31.823 -0.178 0.000 0.988 392 V HN 0.930 nan 8.190 nan 0.000 0.431 393 R N 3.621 124.081 120.500 -0.067 0.000 2.401 393 R HA 0.496 4.838 4.340 0.002 0.000 0.299 393 R C -0.360 175.902 176.300 -0.064 0.000 1.064 393 R CA 0.006 56.074 56.100 -0.053 0.000 1.000 393 R CB 0.816 31.097 30.300 -0.031 0.000 0.973 393 R HN 0.696 nan 8.270 nan 0.000 0.438 394 V N 0.000 119.875 119.914 -0.065 0.000 2.409 394 V HA 0.000 4.121 4.120 0.002 0.000 0.244 394 V CA 0.000 62.263 62.300 -0.062 0.000 1.235 394 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556