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 3a5s_1_A DATA FIRST_RESID 8 DATA SEQUENCE KLATVMAIGT ANPPNCYYQA DFPDFYFRVT NSDHLINLKQ KFKRLCENSR DATA SEQUENCE IEKRYLHVTE EILKENPNIA AYEATSLNVR HKMQVKGVAE LGKEAALKAI DATA SEQUENCE KEWGQPKSKI THLIVCCLAG VDMPGADYQL TKLLDLDPSV KRFMFYHLGC DATA SEQUENCE YAGGTVLRLA KDIAENNKGA RVLIVCSEMT TTCFRGPSET HLDSMIGQAL DATA SEQUENCE FGDGAAAVIV GADPDLTVER PIFELVSTAQ TIVPESHGAI EGHLLESGLS DATA SEQUENCE FHLYKTVPTL ISNNIKTCLS DAFTPLNISD WNSLFWIAHP GGPAILDQVT DATA SEQUENCE AKVGLEKEKL KVTRQVLKDY GNMSSATVFF IMDEMRKKSL ENGQATTGEG DATA SEQUENCE LEWGVLFGFG PGITVETVVL RSVPVI 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.018 0.000 0.838 8 K CB 0.000 32.510 32.500 0.017 0.000 1.064 9 L N 2.063 123.299 121.223 0.021 0.000 2.417 9 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 9 L C 0.870 177.750 176.870 0.015 0.000 1.158 9 L CA -0.515 54.338 54.840 0.020 0.000 0.819 9 L CB 0.773 42.851 42.059 0.033 0.000 1.112 9 L HN 0.737 nan 8.230 nan 0.000 0.458 10 A N 2.242 125.066 122.820 0.008 0.000 2.511 10 A HA 0.408 4.728 4.320 -0.000 0.000 0.242 10 A C 0.082 177.675 177.584 0.015 0.000 1.069 10 A CA 0.171 52.208 52.037 -0.000 0.000 0.763 10 A CB -0.121 18.870 19.000 -0.015 0.000 1.001 10 A HN 0.712 nan 8.150 nan 0.000 0.498 11 T N 1.909 116.470 114.554 0.011 0.000 2.861 11 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 11 T C -0.374 174.335 174.700 0.016 0.000 1.003 11 T CA -0.462 61.655 62.100 0.028 0.000 0.977 11 T CB 1.502 70.385 68.868 0.024 0.000 0.996 11 T HN 0.438 nan 8.240 nan 0.000 0.448 12 V N 4.475 124.422 119.914 0.055 0.000 2.455 12 V HA 0.204 4.324 4.120 -0.000 0.000 0.273 12 V C 0.721 176.825 176.094 0.017 0.000 1.045 12 V CA 0.201 62.526 62.300 0.042 0.000 0.976 12 V CB 0.644 32.556 31.823 0.147 0.000 0.993 12 V HN 0.942 nan 8.190 nan 0.000 0.475 13 M N 3.784 123.364 119.600 -0.032 0.000 2.308 13 M HA 0.528 5.008 4.480 -0.000 0.000 0.269 13 M C 0.285 176.596 176.300 0.018 0.000 1.040 13 M CA 0.278 55.581 55.300 0.006 0.000 1.024 13 M CB 0.936 33.568 32.600 0.054 0.000 1.465 13 M HN 0.688 nan 8.290 nan 0.000 0.517 14 A N 1.111 123.912 122.820 -0.033 0.000 2.599 14 A HA 0.810 5.130 4.320 -0.000 0.000 0.294 14 A C -1.649 175.898 177.584 -0.062 0.000 1.055 14 A CA -0.622 51.403 52.037 -0.019 0.000 0.683 14 A CB 1.410 20.423 19.000 0.021 0.000 1.278 14 A HN 0.218 nan 8.150 nan 0.000 0.412 15 I N 0.701 121.239 120.570 -0.053 0.000 2.607 15 I HA 0.653 4.823 4.170 -0.000 0.000 0.290 15 I C 0.277 176.325 176.117 -0.115 0.000 1.129 15 I CA -0.535 60.710 61.300 -0.092 0.000 1.042 15 I CB 2.712 40.689 38.000 -0.038 0.000 1.242 15 I HN 0.924 nan 8.210 nan 0.000 0.421 16 G N 2.554 111.254 108.800 -0.166 0.000 2.620 16 G HA2 0.777 4.737 3.960 -0.000 0.000 0.301 16 G HA3 0.777 4.737 3.960 -0.000 0.000 0.301 16 G C -0.983 173.761 174.900 -0.260 0.000 1.347 16 G CA -0.508 44.489 45.100 -0.170 0.000 0.971 16 G HN 0.600 nan 8.290 nan 0.000 0.488 17 T N -1.980 112.393 114.554 -0.303 0.000 2.883 17 T HA 0.905 5.255 4.350 -0.000 0.000 0.296 17 T C -0.412 174.175 174.700 -0.187 0.000 1.117 17 T CA -0.344 61.501 62.100 -0.426 0.000 1.006 17 T CB 2.099 70.304 68.868 -1.105 0.000 1.191 17 T HN 1.984 nan 8.240 nan 0.000 0.508 18 A N 1.277 124.069 122.820 -0.047 0.000 2.606 18 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 18 A C -1.450 176.205 177.584 0.119 0.000 1.082 18 A CA -1.097 50.957 52.037 0.028 0.000 0.685 18 A CB 1.361 20.365 19.000 0.007 0.000 1.284 18 A HN 0.959 nan 8.150 nan 0.000 0.408 19 N N 0.030 118.756 118.700 0.043 0.000 2.494 19 N HA 0.684 5.424 4.740 -0.000 0.000 0.270 19 N C -3.153 172.386 175.510 0.048 0.000 1.285 19 N CA -1.192 51.879 53.050 0.035 0.000 0.812 19 N CB 1.951 40.334 38.487 -0.172 0.000 1.557 19 N HN 0.394 nan 8.380 nan 0.000 0.487 20 P HA 0.119 nan 4.420 nan 0.000 0.270 20 P C -1.768 175.656 177.300 0.206 0.000 1.223 20 P CA -0.872 62.342 63.100 0.191 0.000 0.785 20 P CB 0.403 32.255 31.700 0.254 0.000 0.923 21 P HA -0.071 nan 4.420 nan 0.000 0.233 21 P C -0.403 177.009 177.300 0.187 0.000 1.167 21 P CA 0.988 64.183 63.100 0.157 0.000 0.770 21 P CB 0.226 31.984 31.700 0.097 0.000 0.837 22 N N 0.733 119.546 118.700 0.189 0.000 2.401 22 N HA 0.079 4.819 4.740 -0.000 0.000 0.255 22 N C -0.305 175.247 175.510 0.070 0.000 1.110 22 N CA -0.011 53.091 53.050 0.087 0.000 0.949 22 N CB 0.496 39.068 38.487 0.141 0.000 1.110 22 N HN 0.081 nan 8.380 nan 0.000 0.490 23 C N 4.454 123.666 119.300 -0.147 0.000 2.307 23 C HA 0.456 4.916 4.460 -0.000 0.000 0.340 23 C C -0.798 173.907 174.990 -0.476 0.000 1.275 23 C CA -0.602 58.180 59.018 -0.394 0.000 1.811 23 C CB -1.323 26.197 27.740 -0.366 0.000 2.372 23 C HN 0.586 nan 8.230 nan 0.000 0.531 24 Y N 5.038 125.095 120.300 -0.405 0.000 2.345 24 Y HA 0.407 4.957 4.550 -0.000 0.000 0.331 24 Y C -0.161 175.577 175.900 -0.271 0.000 0.959 24 Y CA -0.373 57.593 58.100 -0.222 0.000 1.204 24 Y CB 0.429 38.817 38.460 -0.119 0.000 1.135 24 Y HN 0.642 nan 8.280 nan 0.000 0.477 25 Y N 1.951 122.245 120.300 -0.010 0.000 2.377 25 Y HA 0.007 4.557 4.550 -0.000 0.000 0.330 25 Y C 1.689 177.633 175.900 0.073 0.000 1.108 25 Y CA -0.031 58.060 58.100 -0.015 0.000 1.308 25 Y CB 0.958 39.402 38.460 -0.026 0.000 1.216 25 Y HN 0.620 nan 8.280 nan 0.000 0.518 26 Q N 3.387 123.248 119.800 0.101 0.000 2.181 26 Q HA -0.210 4.130 4.340 -0.000 0.000 0.205 26 Q C 2.043 178.147 176.000 0.173 0.000 0.980 26 Q CA 1.959 57.819 55.803 0.094 0.000 0.862 26 Q CB -0.180 28.542 28.738 -0.026 0.000 0.905 26 Q HN 0.887 nan 8.270 nan 0.000 0.429 27 A N 0.127 123.045 122.820 0.163 0.000 2.019 27 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 27 A C 1.261 178.944 177.584 0.165 0.000 1.164 27 A CA 1.777 53.892 52.037 0.130 0.000 0.644 27 A CB -0.240 18.817 19.000 0.094 0.000 0.805 27 A HN 0.443 nan 8.150 nan 0.000 0.449 28 D N -2.304 118.236 120.400 0.233 0.000 2.398 28 D HA 0.110 4.750 4.640 -0.000 0.000 0.210 28 D C 1.079 177.602 176.300 0.371 0.000 1.094 28 D CA -0.136 54.013 54.000 0.247 0.000 0.839 28 D CB -0.048 40.875 40.800 0.204 0.000 0.963 28 D HN 0.401 nan 8.370 nan 0.000 0.506 29 F N 2.314 122.431 119.950 0.279 0.000 2.113 29 F HA -0.012 4.515 4.527 -0.000 0.000 0.297 29 F C -0.879 175.266 175.800 0.574 0.000 1.103 29 F CA 0.767 59.020 58.000 0.421 0.000 1.248 29 F CB -0.995 38.191 39.000 0.312 0.000 0.999 29 F HN -0.062 nan 8.300 nan 0.000 0.475 30 P HA -0.181 nan 4.420 nan 0.000 0.216 30 P C 1.181 178.712 177.300 0.385 0.000 1.157 30 P CA 2.159 65.604 63.100 0.575 0.000 0.880 30 P CB -0.034 31.869 31.700 0.338 0.000 0.791 31 D N -1.841 118.714 120.400 0.259 0.000 2.097 31 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 31 D C 1.720 178.135 176.300 0.193 0.000 0.984 31 D CA 0.906 55.020 54.000 0.189 0.000 0.826 31 D CB -1.000 39.893 40.800 0.155 0.000 0.973 31 D HN 0.120 nan 8.370 nan 0.000 0.460 32 F N 0.629 120.629 119.950 0.084 0.000 2.075 32 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 32 F C 2.328 178.116 175.800 -0.019 0.000 1.113 32 F CA 1.235 59.263 58.000 0.046 0.000 1.218 32 F CB -0.650 38.403 39.000 0.089 0.000 0.984 32 F HN -0.061 nan 8.300 nan 0.000 0.472 33 Y N -0.063 120.028 120.300 -0.348 0.000 2.128 33 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 33 Y C 2.049 177.733 175.900 -0.360 0.000 1.154 33 Y CA 2.025 59.835 58.100 -0.483 0.000 1.149 33 Y CB -1.062 37.070 38.460 -0.546 0.000 0.976 33 Y HN 0.110 nan 8.280 nan 0.000 0.505 34 F N 0.018 119.744 119.950 -0.373 0.000 2.407 34 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 34 F C 2.661 178.261 175.800 -0.334 0.000 1.097 34 F CA 1.362 59.116 58.000 -0.410 0.000 1.422 34 F CB -0.462 38.408 39.000 -0.216 0.000 1.067 34 F HN -0.006 nan 8.300 nan 0.000 0.539 35 R N 0.776 121.199 120.500 -0.128 0.000 2.057 35 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 35 R C 2.240 178.402 176.300 -0.230 0.000 1.136 35 R CA 1.982 58.000 56.100 -0.136 0.000 0.952 35 R CB -0.603 29.645 30.300 -0.087 0.000 0.848 35 R HN 0.269 nan 8.270 nan 0.000 0.430 36 V N -0.596 119.087 119.914 -0.385 0.000 2.970 36 V HA -0.044 4.076 4.120 -0.000 0.000 0.260 36 V C 1.781 177.707 176.094 -0.281 0.000 1.100 36 V CA 1.877 63.965 62.300 -0.354 0.000 1.122 36 V CB -0.704 30.794 31.823 -0.541 0.000 0.721 36 V HN 0.489 nan 8.190 nan 0.000 0.483 37 T N -2.973 111.346 114.554 -0.392 0.000 3.069 37 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 37 T C 0.665 175.183 174.700 -0.302 0.000 1.053 37 T CA 0.209 62.080 62.100 -0.381 0.000 0.964 37 T CB -0.687 67.762 68.868 -0.698 0.000 1.005 37 T HN 0.537 nan 8.240 nan 0.000 0.532 38 N N 1.153 119.709 118.700 -0.240 0.000 2.727 38 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 38 N C -0.147 175.247 175.510 -0.193 0.000 1.040 38 N CA 0.866 53.836 53.050 -0.134 0.000 0.712 38 N CB -1.628 36.831 38.487 -0.046 0.000 0.912 38 N HN 0.506 nan 8.380 nan 0.000 0.545 39 S N -0.915 114.583 115.700 -0.337 0.000 2.749 39 S HA 0.104 4.574 4.470 -0.000 0.000 0.246 39 S C 0.939 175.384 174.600 -0.258 0.000 1.023 39 S CA -0.568 57.331 58.200 -0.503 0.000 1.012 39 S CB 0.770 63.522 63.200 -0.748 0.000 0.942 39 S HN 0.202 nan 8.310 nan 0.000 0.531 40 D N 2.466 122.787 120.400 -0.131 0.000 2.182 40 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 40 D C 1.611 177.888 176.300 -0.038 0.000 0.986 40 D CA 1.392 55.387 54.000 -0.008 0.000 0.847 40 D CB -0.291 40.520 40.800 0.019 0.000 0.942 40 D HN 0.761 nan 8.370 nan 0.000 0.467 41 H N -0.604 118.500 119.070 0.057 0.000 2.545 41 H HA 0.060 4.616 4.556 -0.000 0.000 0.282 41 H C 0.848 176.207 175.328 0.051 0.000 1.020 41 H CA 0.334 56.404 56.048 0.037 0.000 1.243 41 H CB -0.709 29.064 29.762 0.018 0.000 1.377 41 H HN 0.076 nan 8.280 nan 0.000 0.581 42 L N 1.857 122.998 121.223 -0.137 0.000 2.536 42 L HA 0.106 4.446 4.340 -0.000 0.000 0.242 42 L C 0.610 177.505 176.870 0.042 0.000 1.280 42 L CA -0.472 54.385 54.840 0.027 0.000 1.221 42 L CB 0.072 42.149 42.059 0.030 0.000 1.449 42 L HN 0.278 nan 8.230 nan 0.000 0.405 43 I N 0.560 121.141 120.570 0.017 0.000 2.091 43 I HA -0.360 3.810 4.170 -0.000 0.000 0.239 43 I C 2.257 178.352 176.117 -0.038 0.000 1.061 43 I CA 1.790 63.074 61.300 -0.027 0.000 1.317 43 I CB -0.972 37.025 38.000 -0.005 0.000 1.031 43 I HN 0.682 nan 8.210 nan 0.000 0.401 44 N N 0.574 119.276 118.700 0.002 0.000 2.104 44 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 44 N C 1.997 177.519 175.510 0.021 0.000 1.024 44 N CA 0.834 53.888 53.050 0.008 0.000 0.853 44 N CB 0.066 38.566 38.487 0.021 0.000 1.008 44 N HN 0.140 nan 8.380 nan 0.000 0.424 45 L N 1.967 123.226 121.223 0.060 0.000 2.083 45 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 45 L C 2.230 179.167 176.870 0.110 0.000 1.083 45 L CA 1.682 56.606 54.840 0.140 0.000 0.752 45 L CB -0.587 41.607 42.059 0.225 0.000 0.899 45 L HN 0.083 nan 8.230 nan 0.000 0.433 46 K N -1.196 119.085 120.400 -0.199 0.000 2.211 46 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 46 K C 1.993 178.439 176.600 -0.258 0.000 1.050 46 K CA 1.226 57.053 56.287 -0.767 0.000 0.945 46 K CB 0.005 31.871 32.500 -1.057 0.000 0.732 46 K HN 0.523 nan 8.250 nan 0.000 0.451 47 Q N 0.312 120.043 119.800 -0.114 0.000 2.046 47 Q HA -0.149 4.190 4.340 -0.000 0.000 0.200 47 Q C 1.938 177.942 176.000 0.006 0.000 0.975 47 Q CA 1.524 57.298 55.803 -0.048 0.000 0.836 47 Q CB 0.033 28.754 28.738 -0.028 0.000 0.896 47 Q HN 0.261 nan 8.270 nan 0.000 0.428 48 K N 0.038 120.470 120.400 0.053 0.000 2.057 48 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 48 K C 1.888 178.570 176.600 0.136 0.000 1.049 48 K CA 1.123 57.463 56.287 0.087 0.000 0.931 48 K CB -0.224 32.344 32.500 0.114 0.000 0.714 48 K HN 0.078 nan 8.250 nan 0.000 0.440 49 F N 2.513 122.501 119.950 0.064 0.000 2.171 49 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 49 F C 2.286 178.133 175.800 0.077 0.000 1.090 49 F CA 1.497 59.576 58.000 0.131 0.000 1.293 49 F CB -0.053 39.148 39.000 0.335 0.000 1.013 49 F HN -0.134 nan 8.300 nan 0.000 0.486 50 K N 0.151 120.567 120.400 0.027 0.000 2.026 50 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 50 K C 2.339 178.881 176.600 -0.098 0.000 1.048 50 K CA 1.545 57.799 56.287 -0.054 0.000 0.929 50 K CB -0.166 32.321 32.500 -0.022 0.000 0.713 50 K HN 0.191 nan 8.250 nan 0.000 0.439 51 R N 0.588 121.051 120.500 -0.062 0.000 2.096 51 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 51 R C 2.493 178.737 176.300 -0.093 0.000 1.127 51 R CA 1.294 57.359 56.100 -0.059 0.000 0.968 51 R CB -0.467 29.815 30.300 -0.030 0.000 0.861 51 R HN 0.311 nan 8.270 nan 0.000 0.440 52 L N 0.356 121.505 121.223 -0.123 0.000 2.012 52 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 52 L C 2.256 178.988 176.870 -0.229 0.000 1.073 52 L CA 1.532 56.278 54.840 -0.157 0.000 0.748 52 L CB -0.238 41.725 42.059 -0.159 0.000 0.891 52 L HN 0.322 nan 8.230 nan 0.000 0.431 53 C N 0.040 119.132 119.300 -0.347 0.000 2.446 53 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 53 C C 2.462 177.359 174.990 -0.155 0.000 1.275 53 C CA 0.739 59.581 59.018 -0.293 0.000 1.727 53 C CB -0.902 26.650 27.740 -0.314 0.000 2.010 53 C HN 0.557 nan 8.230 nan 0.000 0.486 54 E N 0.661 120.792 120.200 -0.117 0.000 2.204 54 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 54 E C 1.135 177.695 176.600 -0.066 0.000 0.989 54 E CA 0.948 57.307 56.400 -0.069 0.000 0.824 54 E CB -0.318 29.353 29.700 -0.049 0.000 0.756 54 E HN 0.751 nan 8.360 nan 0.000 0.477 55 N N 0.046 118.698 118.700 -0.079 0.000 2.230 55 N HA -0.007 4.733 4.740 -0.000 0.000 0.202 55 N C 1.305 176.768 175.510 -0.078 0.000 1.119 55 N CA 0.125 53.135 53.050 -0.066 0.000 0.851 55 N CB 0.560 39.013 38.487 -0.057 0.000 0.990 55 N HN 0.022 nan 8.380 nan 0.000 0.497 56 S N 0.821 116.460 115.700 -0.101 0.000 2.489 56 S HA -0.002 4.467 4.470 -0.000 0.000 0.228 56 S C 0.910 175.452 174.600 -0.096 0.000 0.995 56 S CA 0.123 58.254 58.200 -0.115 0.000 0.934 56 S CB 0.182 63.288 63.200 -0.157 0.000 0.771 56 S HN 0.119 nan 8.310 nan 0.000 0.522 57 R N -0.074 120.380 120.500 -0.077 0.000 3.770 57 R HA -0.087 4.253 4.340 -0.000 0.000 0.305 57 R C -0.858 175.402 176.300 -0.067 0.000 1.184 57 R CA 0.616 56.680 56.100 -0.060 0.000 0.823 57 R CB -2.968 27.301 30.300 -0.051 0.000 1.285 57 R HN 0.623 nan 8.270 nan 0.000 0.499 58 I N -0.029 120.489 120.570 -0.088 0.000 2.406 58 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 58 I C 1.615 177.675 176.117 -0.096 0.000 0.999 58 I CA -0.364 60.873 61.300 -0.104 0.000 1.124 58 I CB 1.976 39.888 38.000 -0.146 0.000 1.289 58 I HN 0.054 nan 8.210 nan 0.000 0.441 59 E N 6.160 126.301 120.200 -0.098 0.000 2.216 59 E HA 0.058 4.407 4.350 -0.000 0.000 0.192 59 E C -0.056 176.448 176.600 -0.161 0.000 0.973 59 E CA 0.550 56.906 56.400 -0.073 0.000 0.851 59 E CB 0.636 30.311 29.700 -0.041 0.000 0.804 59 E HN 0.653 nan 8.360 nan 0.000 0.477 60 K N -1.068 119.161 120.400 -0.285 0.000 2.579 60 K HA 0.532 4.852 4.320 -0.000 0.000 0.284 60 K C -1.212 175.132 176.600 -0.427 0.000 0.990 60 K CA -0.963 55.038 56.287 -0.477 0.000 0.880 60 K CB 1.880 33.867 32.500 -0.854 0.000 1.488 60 K HN -0.170 nan 8.250 nan 0.000 0.425 61 R N 0.577 120.792 120.500 -0.476 0.000 2.739 61 R HA 0.374 4.714 4.340 -0.000 0.000 0.271 61 R C -1.586 174.451 176.300 -0.437 0.000 1.010 61 R CA -0.957 54.944 56.100 -0.332 0.000 0.897 61 R CB 1.715 31.880 30.300 -0.224 0.000 1.236 61 R HN 0.540 nan 8.270 nan 0.000 0.466 62 Y N 1.678 121.999 120.300 0.036 0.000 2.335 62 Y HA 0.517 5.067 4.550 -0.000 0.000 0.338 62 Y C -0.183 175.789 175.900 0.121 0.000 0.977 62 Y CA -0.634 57.532 58.100 0.110 0.000 1.114 62 Y CB 1.308 39.836 38.460 0.113 0.000 1.182 62 Y HN 0.152 nan 8.280 nan 0.000 0.463 63 L N 2.309 123.701 121.223 0.280 0.000 2.370 63 L HA 0.373 4.713 4.340 -0.000 0.000 0.266 63 L C 0.671 177.676 176.870 0.224 0.000 1.002 63 L CA -1.004 53.941 54.840 0.175 0.000 0.818 63 L CB 2.002 44.023 42.059 -0.064 0.000 1.325 63 L HN 0.692 nan 8.230 nan 0.000 0.418 64 H N 1.700 120.833 119.070 0.105 0.000 2.395 64 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 64 H C 0.671 176.041 175.328 0.070 0.000 1.070 64 H CA 0.962 57.064 56.048 0.090 0.000 1.356 64 H CB 0.259 30.056 29.762 0.057 0.000 1.401 64 H HN 0.341 nan 8.280 nan 0.000 0.524 65 V N 1.271 121.157 119.914 -0.046 0.000 2.788 65 V HA 0.315 4.435 4.120 -0.000 0.000 0.307 65 V C 0.401 176.474 176.094 -0.035 0.000 1.069 65 V CA 0.299 62.500 62.300 -0.165 0.000 1.173 65 V CB 0.750 32.336 31.823 -0.396 0.000 0.925 65 V HN 0.617 nan 8.190 nan 0.000 0.492 66 T N -0.052 114.499 114.554 -0.006 0.000 2.865 66 T HA 0.452 4.802 4.350 -0.000 0.000 0.294 66 T C 0.589 175.404 174.700 0.191 0.000 1.119 66 T CA 0.069 62.269 62.100 0.167 0.000 1.007 66 T CB 1.848 70.752 68.868 0.060 0.000 1.225 66 T HN 0.820 nan 8.240 nan 0.000 0.515 67 E N -0.014 120.363 120.200 0.294 0.000 2.110 67 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 67 E C 1.717 178.367 176.600 0.083 0.000 0.988 67 E CA 1.425 57.950 56.400 0.208 0.000 0.804 67 E CB -0.021 29.832 29.700 0.254 0.000 0.745 67 E HN 0.708 nan 8.360 nan 0.000 0.458 68 E N 0.930 121.172 120.200 0.070 0.000 2.051 68 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 68 E C 1.920 178.530 176.600 0.018 0.000 0.991 68 E CA 1.486 57.907 56.400 0.036 0.000 0.799 68 E CB -0.333 29.385 29.700 0.029 0.000 0.748 68 E HN 0.399 nan 8.360 nan 0.000 0.449 69 I N 0.227 120.799 120.570 0.004 0.000 2.208 69 I HA -0.290 3.879 4.170 -0.000 0.000 0.245 69 I C 2.310 178.422 176.117 -0.007 0.000 1.097 69 I CA 0.983 62.279 61.300 -0.008 0.000 1.363 69 I CB -0.285 37.689 38.000 -0.043 0.000 1.051 69 I HN 0.172 nan 8.210 nan 0.000 0.413 70 L N 0.158 121.368 121.223 -0.021 0.000 2.093 70 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 70 L C 2.614 179.480 176.870 -0.006 0.000 1.085 70 L CA 1.032 55.857 54.840 -0.024 0.000 0.755 70 L CB -0.587 41.441 42.059 -0.053 0.000 0.904 70 L HN 0.177 nan 8.230 nan 0.000 0.435 71 K N 0.524 120.924 120.400 -0.001 0.000 2.097 71 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 71 K C 1.841 178.446 176.600 0.008 0.000 1.050 71 K CA 1.323 57.611 56.287 0.003 0.000 0.938 71 K CB -0.183 32.322 32.500 0.009 0.000 0.718 71 K HN 0.456 nan 8.250 nan 0.000 0.442 72 E N 0.494 120.702 120.200 0.012 0.000 2.358 72 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 72 E C 0.007 176.619 176.600 0.019 0.000 1.010 72 E CA 0.330 56.740 56.400 0.017 0.000 0.856 72 E CB 0.160 29.872 29.700 0.020 0.000 0.795 72 E HN 0.214 nan 8.360 nan 0.000 0.504 73 N N 0.951 119.662 118.700 0.019 0.000 2.752 73 N HA 0.086 4.826 4.740 -0.000 0.000 0.260 73 N C -2.220 173.305 175.510 0.025 0.000 1.562 73 N CA -0.858 52.207 53.050 0.025 0.000 0.788 73 N CB 1.405 39.913 38.487 0.035 0.000 1.192 73 N HN 0.021 nan 8.380 nan 0.000 0.503 74 P HA -0.107 nan 4.420 nan 0.000 0.219 74 P C 0.721 178.037 177.300 0.026 0.000 1.146 74 P CA 1.142 64.251 63.100 0.016 0.000 0.808 74 P CB 0.506 32.211 31.700 0.009 0.000 0.779 75 N N -0.339 118.378 118.700 0.028 0.000 2.453 75 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 75 N C 1.786 177.324 175.510 0.047 0.000 1.041 75 N CA 0.644 53.712 53.050 0.030 0.000 0.900 75 N CB -0.698 37.803 38.487 0.023 0.000 0.961 75 N HN 0.257 nan 8.380 nan 0.000 0.443 76 I N -0.408 120.203 120.570 0.069 0.000 2.480 76 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 76 I C 1.961 178.188 176.117 0.184 0.000 1.124 76 I CA 0.477 61.850 61.300 0.121 0.000 1.444 76 I CB -0.124 37.948 38.000 0.121 0.000 1.098 76 I HN 0.071 nan 8.210 nan 0.000 0.428 77 A N 1.027 123.930 122.820 0.139 0.000 2.066 77 A HA 0.237 4.556 4.320 -0.000 0.000 0.218 77 A C 1.478 179.087 177.584 0.042 0.000 1.157 77 A CA 0.666 52.785 52.037 0.137 0.000 0.670 77 A CB -0.509 18.520 19.000 0.048 0.000 0.804 77 A HN 0.316 nan 8.150 nan 0.000 0.453 78 A N -1.413 121.430 122.820 0.039 0.000 2.407 78 A HA 0.393 4.713 4.320 -0.000 0.000 0.248 78 A C 0.767 178.381 177.584 0.051 0.000 1.082 78 A CA -0.030 52.026 52.037 0.031 0.000 0.785 78 A CB -0.123 18.893 19.000 0.028 0.000 1.020 78 A HN 0.627 nan 8.150 nan 0.000 0.489 79 Y N 1.017 121.293 120.300 -0.041 0.000 2.165 79 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 79 Y C 0.812 176.714 175.900 0.004 0.000 1.155 79 Y CA 2.373 60.457 58.100 -0.027 0.000 1.164 79 Y CB 0.221 38.672 38.460 -0.014 0.000 0.978 79 Y HN 0.679 nan 8.280 nan 0.000 0.513 80 E N 0.305 120.387 120.200 -0.197 0.000 2.432 80 E HA 0.582 4.931 4.350 -0.000 0.000 0.272 80 E C -1.809 174.742 176.600 -0.082 0.000 0.937 80 E CA -0.308 55.933 56.400 -0.265 0.000 0.812 80 E CB 0.799 30.284 29.700 -0.359 0.000 1.377 80 E HN 0.280 nan 8.360 nan 0.000 0.399 81 A N 2.841 125.625 122.820 -0.060 0.000 2.547 81 A HA 0.507 4.827 4.320 -0.000 0.000 0.297 81 A C -0.384 177.190 177.584 -0.016 0.000 1.056 81 A CA -0.739 51.286 52.037 -0.020 0.000 0.688 81 A CB 1.681 20.681 19.000 0.000 0.000 1.282 81 A HN 0.394 nan 8.150 nan 0.000 0.400 82 T N 2.510 117.059 114.554 -0.009 0.000 2.778 82 T HA 0.322 4.672 4.350 -0.000 0.000 0.282 82 T C 1.080 175.783 174.700 0.005 0.000 0.983 82 T CA 1.446 63.542 62.100 -0.005 0.000 1.193 82 T CB -0.231 68.635 68.868 -0.004 0.000 0.938 82 T HN 1.486 nan 8.240 nan 0.000 0.523 83 S N 1.665 117.371 115.700 0.011 0.000 2.857 83 S HA 0.042 4.512 4.470 -0.000 0.000 0.238 83 S C 1.060 175.683 174.600 0.038 0.000 0.875 83 S CA -0.498 57.718 58.200 0.027 0.000 1.368 83 S CB -0.470 62.751 63.200 0.036 0.000 1.238 83 S HN 0.403 nan 8.310 nan 0.000 0.635 84 L N 3.092 124.333 121.223 0.030 0.000 2.012 84 L HA 0.031 4.370 4.340 -0.000 0.000 0.210 84 L C 1.862 178.768 176.870 0.060 0.000 1.073 84 L CA 2.203 57.071 54.840 0.046 0.000 0.748 84 L CB -0.988 41.085 42.059 0.023 0.000 0.891 84 L HN 0.283 nan 8.230 nan 0.000 0.431 85 N N -0.126 118.587 118.700 0.021 0.000 2.069 85 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 85 N C 1.921 177.470 175.510 0.066 0.000 1.031 85 N CA 2.139 55.195 53.050 0.010 0.000 0.852 85 N CB -0.858 37.619 38.487 -0.017 0.000 1.018 85 N HN 0.534 nan 8.380 nan 0.000 0.423 86 V N -0.850 119.101 119.914 0.061 0.000 2.453 86 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 86 V C 2.167 178.315 176.094 0.091 0.000 1.048 86 V CA 1.217 63.560 62.300 0.071 0.000 1.049 86 V CB -0.598 31.259 31.823 0.057 0.000 0.672 86 V HN 0.090 nan 8.190 nan 0.000 0.457 87 R N -0.432 120.125 120.500 0.095 0.000 2.073 87 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 87 R C 2.591 178.949 176.300 0.096 0.000 1.134 87 R CA 1.690 57.848 56.100 0.095 0.000 0.952 87 R CB -0.816 29.540 30.300 0.095 0.000 0.850 87 R HN 0.702 nan 8.270 nan 0.000 0.433 88 H N 1.659 120.738 119.070 0.015 0.000 2.352 88 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 88 H C 1.906 177.232 175.328 -0.002 0.000 1.097 88 H CA 1.913 57.961 56.048 0.001 0.000 1.311 88 H CB 0.099 29.858 29.762 -0.006 0.000 1.377 88 H HN 0.101 nan 8.280 nan 0.000 0.504 89 K N 0.086 120.614 120.400 0.213 0.000 2.032 89 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 89 K C 2.530 179.140 176.600 0.017 0.000 1.048 89 K CA 1.808 58.177 56.287 0.137 0.000 0.927 89 K CB -0.008 32.562 32.500 0.117 0.000 0.712 89 K HN 0.286 nan 8.250 nan 0.000 0.441 90 M N 0.108 119.714 119.600 0.010 0.000 2.200 90 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 90 M C 2.385 178.585 176.300 -0.167 0.000 1.066 90 M CA 1.381 56.649 55.300 -0.053 0.000 1.127 90 M CB -0.188 32.429 32.600 0.028 0.000 1.379 90 M HN 0.167 nan 8.290 nan 0.000 0.420 91 Q N 0.732 120.448 119.800 -0.140 0.000 2.061 91 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 91 Q C 1.850 177.741 176.000 -0.181 0.000 0.984 91 Q CA 1.877 57.581 55.803 -0.164 0.000 0.846 91 Q CB -0.430 28.223 28.738 -0.142 0.000 0.902 91 Q HN 0.335 nan 8.270 nan 0.000 0.421 92 V N 0.990 120.758 119.914 -0.243 0.000 2.343 92 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 92 V C 2.420 178.459 176.094 -0.092 0.000 1.051 92 V CA 2.020 64.206 62.300 -0.190 0.000 1.036 92 V CB -0.631 31.043 31.823 -0.249 0.000 0.654 92 V HN 0.350 nan 8.190 nan 0.000 0.451 93 K N 0.558 120.906 120.400 -0.087 0.000 2.062 93 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 93 K C 2.151 178.705 176.600 -0.077 0.000 1.051 93 K CA 1.636 57.889 56.287 -0.056 0.000 0.941 93 K CB -0.717 31.762 32.500 -0.035 0.000 0.719 93 K HN 0.469 nan 8.250 nan 0.000 0.440 94 G N 1.128 109.840 108.800 -0.148 0.000 2.404 94 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 94 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 94 G C 1.621 176.469 174.900 -0.087 0.000 1.174 94 G CA 1.345 46.345 45.100 -0.167 0.000 0.780 94 G HN 0.253 nan 8.290 nan 0.000 0.537 95 V N -0.589 119.279 119.914 -0.077 0.000 2.407 95 V HA 0.014 4.134 4.120 -0.000 0.000 0.248 95 V C 2.914 178.992 176.094 -0.026 0.000 1.055 95 V CA 2.026 64.301 62.300 -0.040 0.000 1.049 95 V CB -1.127 30.681 31.823 -0.025 0.000 0.662 95 V HN 0.401 nan 8.190 nan 0.000 0.455 96 A N 0.305 123.111 122.820 -0.025 0.000 1.873 96 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 96 A C 2.184 179.757 177.584 -0.018 0.000 1.186 96 A CA 1.874 53.901 52.037 -0.017 0.000 0.616 96 A CB -0.665 18.330 19.000 -0.009 0.000 0.823 96 A HN 0.599 nan 8.150 nan 0.000 0.442 97 E N -0.449 119.741 120.200 -0.016 0.000 2.051 97 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 97 E C 1.792 178.391 176.600 -0.002 0.000 0.991 97 E CA 1.075 57.471 56.400 -0.006 0.000 0.799 97 E CB -0.333 29.369 29.700 0.003 0.000 0.748 97 E HN 0.374 nan 8.360 nan 0.000 0.449 98 L N -0.267 120.956 121.223 0.000 0.000 2.056 98 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 98 L C 2.153 179.021 176.870 -0.003 0.000 1.078 98 L CA 2.104 56.950 54.840 0.011 0.000 0.749 98 L CB -0.984 41.090 42.059 0.024 0.000 0.901 98 L HN 0.280 nan 8.230 nan 0.000 0.433 99 G N -1.150 107.642 108.800 -0.014 0.000 2.422 99 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 99 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 99 G C 1.726 176.604 174.900 -0.036 0.000 1.146 99 G CA 0.847 45.930 45.100 -0.028 0.000 0.769 99 G HN 0.387 nan 8.290 nan 0.000 0.547 100 K N 0.474 120.857 120.400 -0.028 0.000 2.057 100 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 100 K C 2.311 178.895 176.600 -0.026 0.000 1.049 100 K CA 1.564 57.834 56.287 -0.029 0.000 0.931 100 K CB -0.220 32.266 32.500 -0.023 0.000 0.714 100 K HN 0.445 nan 8.250 nan 0.000 0.440 101 E N -0.107 120.081 120.200 -0.020 0.000 2.051 101 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 101 E C 1.799 178.378 176.600 -0.036 0.000 0.991 101 E CA 1.181 57.569 56.400 -0.020 0.000 0.799 101 E CB -0.144 29.550 29.700 -0.010 0.000 0.748 101 E HN 0.430 nan 8.360 nan 0.000 0.449 102 A N 1.135 123.926 122.820 -0.047 0.000 1.902 102 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 102 A C 2.382 179.916 177.584 -0.082 0.000 1.181 102 A CA 1.777 53.766 52.037 -0.079 0.000 0.623 102 A CB -0.735 18.210 19.000 -0.091 0.000 0.818 102 A HN 0.417 nan 8.150 nan 0.000 0.443 103 A N -0.172 122.607 122.820 -0.069 0.000 1.902 103 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 103 A C 2.161 179.723 177.584 -0.036 0.000 1.181 103 A CA 1.519 53.517 52.037 -0.065 0.000 0.623 103 A CB -0.626 18.340 19.000 -0.058 0.000 0.818 103 A HN 0.475 nan 8.150 nan 0.000 0.443 104 L N -0.865 120.343 121.223 -0.025 0.000 2.083 104 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 104 L C 2.572 179.439 176.870 -0.004 0.000 1.083 104 L CA 1.686 56.522 54.840 -0.007 0.000 0.752 104 L CB -0.406 41.648 42.059 -0.009 0.000 0.899 104 L HN 0.371 nan 8.230 nan 0.000 0.433 105 K N -0.065 120.321 120.400 -0.024 0.000 2.097 105 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 105 K C 2.253 178.842 176.600 -0.018 0.000 1.050 105 K CA 1.251 57.522 56.287 -0.026 0.000 0.938 105 K CB -0.210 32.259 32.500 -0.052 0.000 0.718 105 K HN 0.268 nan 8.250 nan 0.000 0.442 106 A N 1.448 124.247 122.820 -0.035 0.000 1.898 106 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 106 A C 2.107 179.727 177.584 0.059 0.000 1.181 106 A CA 1.167 53.186 52.037 -0.030 0.000 0.620 106 A CB -0.547 18.394 19.000 -0.098 0.000 0.819 106 A HN 0.157 nan 8.150 nan 0.000 0.442 107 I N -0.391 120.230 120.570 0.085 0.000 2.286 107 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 107 I C 2.549 178.778 176.117 0.186 0.000 1.115 107 I CA 1.843 63.276 61.300 0.221 0.000 1.392 107 I CB -0.218 37.884 38.000 0.169 0.000 1.065 107 I HN 0.405 nan 8.210 nan 0.000 0.418 108 K N 1.216 121.668 120.400 0.087 0.000 2.026 108 K HA -0.272 4.047 4.320 -0.000 0.000 0.208 108 K C 2.124 178.757 176.600 0.056 0.000 1.048 108 K CA 1.917 58.233 56.287 0.047 0.000 0.929 108 K CB -0.135 32.376 32.500 0.018 0.000 0.713 108 K HN 0.297 nan 8.250 nan 0.000 0.439 109 E N -0.384 119.857 120.200 0.069 0.000 2.110 109 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 109 E C 1.778 178.459 176.600 0.135 0.000 0.988 109 E CA 1.186 57.627 56.400 0.068 0.000 0.804 109 E CB -0.278 29.449 29.700 0.045 0.000 0.745 109 E HN 0.489 nan 8.360 nan 0.000 0.458 110 W N 0.900 122.176 121.300 -0.041 0.000 2.338 110 W HA -0.130 4.530 4.660 -0.000 0.000 0.304 110 W C 1.544 178.044 176.519 -0.032 0.000 1.212 110 W CA 2.730 60.053 57.345 -0.036 0.000 1.264 110 W CB -0.584 28.854 29.460 -0.036 0.000 1.142 110 W HN 0.319 nan 8.180 nan 0.000 0.512 111 G N -0.463 108.284 108.800 -0.089 0.000 2.176 111 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 111 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 111 G C 0.317 174.938 174.900 -0.466 0.000 0.979 111 G CA 0.368 45.325 45.100 -0.239 0.000 0.641 111 G HN 0.402 nan 8.290 nan 0.000 0.530 112 Q N 0.419 119.679 119.800 -0.900 0.000 2.297 112 Q HA 0.511 4.851 4.340 -0.000 0.000 0.268 112 Q C -2.409 173.195 176.000 -0.661 0.000 1.045 112 Q CA -1.730 53.471 55.803 -1.004 0.000 0.861 112 Q CB 2.342 29.968 28.738 -1.853 0.000 1.344 112 Q HN 0.302 nan 8.270 nan 0.000 0.452 113 P HA 0.036 nan 4.420 nan 0.000 0.271 113 P C 0.152 177.415 177.300 -0.062 0.000 1.218 113 P CA -0.026 62.970 63.100 -0.173 0.000 0.780 113 P CB 0.780 32.407 31.700 -0.121 0.000 0.901 114 K N 0.654 121.086 120.400 0.052 0.000 2.360 114 K HA -0.110 4.209 4.320 -0.000 0.000 0.201 114 K C 1.460 178.136 176.600 0.127 0.000 1.046 114 K CA 1.657 58.042 56.287 0.162 0.000 0.940 114 K CB -0.728 31.831 32.500 0.098 0.000 0.748 114 K HN 0.397 nan 8.250 nan 0.000 0.465 115 S N 1.238 116.973 115.700 0.057 0.000 2.474 115 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 115 S C 1.512 176.155 174.600 0.071 0.000 0.997 115 S CA 0.602 58.826 58.200 0.040 0.000 0.949 115 S CB -0.088 63.115 63.200 0.005 0.000 0.766 115 S HN 0.376 nan 8.310 nan 0.000 0.517 116 K N 0.493 120.969 120.400 0.127 0.000 2.444 116 K HA 0.298 4.618 4.320 -0.000 0.000 0.193 116 K C -0.032 176.749 176.600 0.301 0.000 1.024 116 K CA 0.013 56.416 56.287 0.195 0.000 1.077 116 K CB -0.063 32.538 32.500 0.170 0.000 0.833 116 K HN 0.472 nan 8.250 nan 0.000 0.517 117 I N 2.162 122.891 120.570 0.264 0.000 2.517 117 I HA -0.078 4.091 4.170 -0.000 0.000 0.285 117 I C 1.560 177.715 176.117 0.063 0.000 1.106 117 I CA 0.173 61.556 61.300 0.137 0.000 1.402 117 I CB 1.224 39.265 38.000 0.069 0.000 1.399 117 I HN 0.166 nan 8.210 nan 0.000 0.535 118 T N 1.104 115.699 114.554 0.068 0.000 3.023 118 T HA 0.161 4.511 4.350 -0.000 0.000 0.249 118 T C 0.401 174.966 174.700 -0.225 0.000 1.050 118 T CA 0.226 62.312 62.100 -0.023 0.000 1.088 118 T CB 0.048 68.968 68.868 0.087 0.000 0.946 118 T HN 0.547 nan 8.240 nan 0.000 0.480 119 H N -0.138 118.911 119.070 -0.035 0.000 2.851 119 H HA 0.761 5.317 4.556 -0.000 0.000 0.372 119 H C -1.636 173.663 175.328 -0.048 0.000 1.158 119 H CA -1.001 55.023 56.048 -0.040 0.000 1.159 119 H CB 2.037 31.805 29.762 0.009 0.000 1.757 119 H HN 0.161 nan 8.280 nan 0.000 0.546 120 L N 2.902 124.163 121.223 0.064 0.000 2.406 120 L HA 0.564 4.904 4.340 -0.000 0.000 0.272 120 L C -1.669 175.242 176.870 0.068 0.000 0.980 120 L CA -0.262 54.590 54.840 0.020 0.000 0.831 120 L CB 0.957 42.995 42.059 -0.035 0.000 1.253 120 L HN 0.639 nan 8.230 nan 0.000 0.406 121 I N 5.827 126.448 120.570 0.086 0.000 2.362 121 I HA 0.538 4.707 4.170 -0.000 0.000 0.289 121 I C -0.830 175.333 176.117 0.077 0.000 0.994 121 I CA -0.838 60.559 61.300 0.161 0.000 1.158 121 I CB 1.868 39.990 38.000 0.202 0.000 1.315 121 I HN 0.277 nan 8.210 nan 0.000 0.451 122 V N 5.506 125.460 119.914 0.067 0.000 2.604 122 V HA 0.400 4.520 4.120 -0.000 0.000 0.305 122 V C -0.671 175.435 176.094 0.020 0.000 1.043 122 V CA -0.598 61.698 62.300 -0.007 0.000 0.888 122 V CB 2.058 33.835 31.823 -0.077 0.000 0.995 122 V HN 0.875 nan 8.190 nan 0.000 0.429 123 C N 5.727 125.023 119.300 -0.008 0.000 2.397 123 C HA 0.805 5.265 4.460 -0.000 0.000 0.325 123 C C -0.399 174.546 174.990 -0.076 0.000 1.201 123 C CA -0.372 58.642 59.018 -0.007 0.000 1.377 123 C CB -0.441 27.304 27.740 0.008 0.000 2.038 123 C HN 0.989 nan 8.230 nan 0.000 0.457 124 C N 6.255 125.484 119.300 -0.119 0.000 2.481 124 C HA 0.334 4.794 4.460 -0.000 0.000 0.324 124 C C 1.212 176.149 174.990 -0.088 0.000 1.170 124 C CA -0.663 58.306 59.018 -0.082 0.000 1.361 124 C CB 0.977 28.700 27.740 -0.028 0.000 1.977 124 C HN 1.065 nan 8.230 nan 0.000 0.459 125 L N 3.325 124.461 121.223 -0.146 0.000 2.043 125 L HA 0.119 4.458 4.340 -0.000 0.000 0.212 125 L C 0.870 177.465 176.870 -0.460 0.000 1.075 125 L CA 2.538 57.235 54.840 -0.238 0.000 0.752 125 L CB -0.262 41.661 42.059 -0.227 0.000 0.891 125 L HN 0.898 nan 8.230 nan 0.000 0.432 126 A N -3.103 119.521 122.820 -0.327 0.000 2.609 126 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 126 A C 0.304 177.820 177.584 -0.113 0.000 1.096 126 A CA -0.089 51.706 52.037 -0.403 0.000 0.684 126 A CB 0.838 19.705 19.000 -0.221 0.000 1.282 126 A HN 0.852 nan 8.150 nan 0.000 0.412 127 G N -0.747 107.972 108.800 -0.135 0.000 2.157 127 G HA2 0.179 4.139 3.960 -0.000 0.000 0.114 127 G HA3 0.179 4.139 3.960 -0.000 0.000 0.114 127 G C -0.013 174.647 174.900 -0.400 0.000 1.041 127 G CA -0.156 44.828 45.100 -0.193 0.000 0.714 127 G HN 1.560 nan 8.290 nan 0.000 0.492 128 V N 0.813 120.363 119.914 -0.607 0.000 2.681 128 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 128 V C 0.443 176.342 176.094 -0.326 0.000 1.077 128 V CA 1.313 63.058 62.300 -0.925 0.000 1.224 128 V CB 1.273 32.855 31.823 -0.401 0.000 0.879 128 V HN 0.515 nan 8.190 nan 0.000 0.494 129 D N 4.202 124.438 120.400 -0.275 0.000 2.654 129 D HA 0.543 5.183 4.640 -0.000 0.000 0.231 129 D C -0.964 175.366 176.300 0.051 0.000 1.239 129 D CA -0.576 53.434 54.000 0.016 0.000 0.790 129 D CB 1.604 42.452 40.800 0.080 0.000 1.480 129 D HN 0.404 nan 8.370 nan 0.000 0.442 130 M N 2.943 122.560 119.600 0.029 0.000 2.106 130 M HA 0.379 4.859 4.480 -0.000 0.000 0.288 130 M C -2.155 174.112 176.300 -0.055 0.000 0.941 130 M CA -1.465 53.837 55.300 0.002 0.000 0.934 130 M CB 1.800 34.395 32.600 -0.009 0.000 1.551 130 M HN 0.193 nan 8.290 nan 0.000 0.437 131 P HA 0.349 nan 4.420 nan 0.000 0.272 131 P C -0.008 177.328 177.300 0.059 0.000 1.240 131 P CA -0.196 62.831 63.100 -0.120 0.000 0.791 131 P CB 0.731 32.140 31.700 -0.484 0.000 0.978 132 G N -0.592 108.301 108.800 0.154 0.000 2.531 132 G HA2 0.398 4.358 3.960 -0.000 0.000 0.281 132 G HA3 0.398 4.358 3.960 -0.000 0.000 0.281 132 G C 0.982 176.019 174.900 0.228 0.000 1.382 132 G CA -0.085 45.178 45.100 0.272 0.000 1.045 132 G HN 0.529 nan 8.290 nan 0.000 0.533 133 A N -0.315 122.620 122.820 0.192 0.000 2.019 133 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 133 A C 1.982 179.583 177.584 0.030 0.000 1.164 133 A CA 2.228 54.316 52.037 0.085 0.000 0.644 133 A CB -0.536 18.480 19.000 0.027 0.000 0.805 133 A HN 0.691 nan 8.150 nan 0.000 0.449 134 D N -1.346 119.060 120.400 0.010 0.000 2.144 134 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 134 D C 1.810 178.125 176.300 0.025 0.000 0.978 134 D CA 1.569 55.563 54.000 -0.010 0.000 0.833 134 D CB -0.786 39.993 40.800 -0.035 0.000 0.961 134 D HN 0.569 nan 8.370 nan 0.000 0.470 135 Y N 1.501 121.783 120.300 -0.031 0.000 2.163 135 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 135 Y C 2.531 178.422 175.900 -0.016 0.000 1.136 135 Y CA 1.786 59.872 58.100 -0.024 0.000 1.147 135 Y CB -0.215 38.240 38.460 -0.008 0.000 0.987 135 Y HN -0.174 nan 8.280 nan 0.000 0.509 136 Q N 0.405 120.207 119.800 0.003 0.000 2.061 136 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 136 Q C 2.450 178.369 176.000 -0.134 0.000 0.984 136 Q CA 1.951 57.706 55.803 -0.079 0.000 0.846 136 Q CB -0.613 28.155 28.738 0.050 0.000 0.902 136 Q HN 0.565 nan 8.270 nan 0.000 0.421 137 L N 0.182 121.352 121.223 -0.087 0.000 2.141 137 L HA -0.141 4.198 4.340 -0.000 0.000 0.209 137 L C 2.392 179.194 176.870 -0.113 0.000 1.094 137 L CA 1.095 55.885 54.840 -0.084 0.000 0.763 137 L CB -0.491 41.532 42.059 -0.061 0.000 0.908 137 L HN 0.200 nan 8.230 nan 0.000 0.437 138 T N -0.759 113.705 114.554 -0.151 0.000 2.788 138 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 138 T C 1.957 176.542 174.700 -0.192 0.000 1.044 138 T CA 0.978 62.984 62.100 -0.158 0.000 1.139 138 T CB 0.027 68.794 68.868 -0.168 0.000 0.867 138 T HN 0.144 nan 8.240 nan 0.000 0.454 139 K N 1.067 121.296 120.400 -0.286 0.000 2.044 139 K HA 0.192 4.511 4.320 -0.000 0.000 0.204 139 K C 2.305 178.818 176.600 -0.144 0.000 1.049 139 K CA 0.712 56.846 56.287 -0.254 0.000 0.945 139 K CB -0.772 31.509 32.500 -0.364 0.000 0.724 139 K HN 0.337 nan 8.250 nan 0.000 0.440 140 L N 0.715 121.864 121.223 -0.123 0.000 2.083 140 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 140 L C 2.165 179.000 176.870 -0.058 0.000 1.083 140 L CA 1.050 55.846 54.840 -0.074 0.000 0.752 140 L CB -0.323 41.700 42.059 -0.059 0.000 0.899 140 L HN 0.069 nan 8.230 nan 0.000 0.433 141 L N -1.074 120.111 121.223 -0.062 0.000 2.558 141 L HA 0.021 4.361 4.340 -0.000 0.000 0.225 141 L C 0.365 177.211 176.870 -0.040 0.000 1.128 141 L CA -0.082 54.732 54.840 -0.043 0.000 0.868 141 L CB -0.201 41.835 42.059 -0.038 0.000 1.006 141 L HN 0.222 nan 8.230 nan 0.000 0.454 142 D N 0.934 121.300 120.400 -0.057 0.000 2.699 142 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 142 D C -0.070 176.205 176.300 -0.041 0.000 1.136 142 D CA 0.524 54.494 54.000 -0.051 0.000 0.668 142 D CB -0.963 39.816 40.800 -0.036 0.000 1.060 142 D HN 0.142 nan 8.370 nan 0.000 0.429 143 L N -0.231 120.962 121.223 -0.050 0.000 2.468 143 L HA 0.258 4.597 4.340 -0.000 0.000 0.254 143 L C 1.303 178.148 176.870 -0.042 0.000 1.171 143 L CA -0.622 54.196 54.840 -0.036 0.000 0.809 143 L CB 0.261 42.294 42.059 -0.043 0.000 1.155 143 L HN 0.111 nan 8.230 nan 0.000 0.473 144 D N 2.080 122.461 120.400 -0.032 0.000 2.493 144 D HA -0.018 4.622 4.640 -0.000 0.000 0.240 144 D C -1.517 174.753 176.300 -0.050 0.000 1.142 144 D CA -1.111 52.868 54.000 -0.036 0.000 0.872 144 D CB 1.378 42.158 40.800 -0.033 0.000 1.173 144 D HN 0.267 nan 8.370 nan 0.000 0.467 145 P HA -0.074 nan 4.420 nan 0.000 0.225 145 P C 0.576 177.848 177.300 -0.046 0.000 1.148 145 P CA 0.515 63.590 63.100 -0.041 0.000 0.779 145 P CB 0.353 32.037 31.700 -0.026 0.000 0.780 146 S N -0.313 115.353 115.700 -0.057 0.000 2.614 146 S HA 0.104 4.574 4.470 -0.000 0.000 0.230 146 S C 0.683 175.214 174.600 -0.116 0.000 0.952 146 S CA -0.429 57.726 58.200 -0.075 0.000 0.949 146 S CB -0.532 62.629 63.200 -0.064 0.000 0.786 146 S HN -0.008 nan 8.310 nan 0.000 0.478 147 V N 2.861 122.706 119.914 -0.115 0.000 2.655 147 V HA 0.144 4.264 4.120 -0.000 0.000 0.300 147 V C -0.071 175.897 176.094 -0.209 0.000 1.044 147 V CA -0.053 62.153 62.300 -0.157 0.000 1.095 147 V CB 0.492 32.250 31.823 -0.109 0.000 0.952 147 V HN 0.278 nan 8.190 nan 0.000 0.485 148 K N 7.269 127.469 120.400 -0.332 0.000 2.316 148 K HA 0.419 4.739 4.320 -0.000 0.000 0.289 148 K C -0.305 176.092 176.600 -0.339 0.000 1.070 148 K CA -0.081 55.984 56.287 -0.369 0.000 0.928 148 K CB 0.751 32.962 32.500 -0.481 0.000 1.039 148 K HN 0.649 nan 8.250 nan 0.000 0.480 149 R N 2.303 122.576 120.500 -0.377 0.000 2.668 149 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 149 R C -0.700 175.259 176.300 -0.569 0.000 0.976 149 R CA -0.622 55.280 56.100 -0.330 0.000 0.978 149 R CB 1.116 31.310 30.300 -0.176 0.000 1.133 149 R HN 0.401 nan 8.270 nan 0.000 0.484 150 F N 1.671 121.565 119.950 -0.093 0.000 2.562 150 F HA 0.363 4.890 4.527 -0.000 0.000 0.319 150 F C -0.388 175.210 175.800 -0.337 0.000 1.154 150 F CA -1.017 56.842 58.000 -0.235 0.000 0.931 150 F CB 2.161 41.069 39.000 -0.154 0.000 1.198 150 F HN 0.220 nan 8.300 nan 0.000 0.444 151 M N 5.396 124.819 119.600 -0.294 0.000 2.181 151 M HA 0.548 5.028 4.480 -0.000 0.000 0.323 151 M C -2.031 173.953 176.300 -0.528 0.000 1.004 151 M CA -0.429 54.665 55.300 -0.343 0.000 0.941 151 M CB 0.607 33.069 32.600 -0.230 0.000 1.579 151 M HN 0.374 nan 8.290 nan 0.000 0.427 152 F N 5.433 125.262 119.950 -0.200 0.000 2.403 152 F HA 0.494 5.021 4.527 -0.000 0.000 0.355 152 F C -1.198 174.466 175.800 -0.226 0.000 1.119 152 F CA -0.487 57.433 58.000 -0.133 0.000 1.007 152 F CB 0.983 39.939 39.000 -0.073 0.000 1.194 152 F HN 0.429 nan 8.300 nan 0.000 0.443 153 Y N 1.968 122.377 120.300 0.182 0.000 2.387 153 Y HA 0.358 4.908 4.550 -0.000 0.000 0.336 153 Y C 0.604 176.591 175.900 0.145 0.000 1.067 153 Y CA -1.072 57.082 58.100 0.090 0.000 1.114 153 Y CB 0.738 39.276 38.460 0.130 0.000 1.208 153 Y HN 0.513 nan 8.280 nan 0.000 0.458 154 H N 2.358 121.548 119.070 0.201 0.000 2.770 154 H HA -0.195 4.361 4.556 -0.000 0.000 0.309 154 H C 0.488 175.834 175.328 0.030 0.000 1.206 154 H CA 0.904 57.005 56.048 0.087 0.000 1.147 154 H CB -1.155 28.666 29.762 0.099 0.000 1.422 154 H HN 0.709 nan 8.280 nan 0.000 0.420 155 L N -0.841 120.381 121.223 -0.000 0.000 2.130 155 L HA 0.226 4.565 4.340 -0.000 0.000 0.200 155 L C 1.728 178.360 176.870 -0.397 0.000 1.075 155 L CA 1.120 55.866 54.840 -0.157 0.000 0.768 155 L CB 0.100 41.983 42.059 -0.293 0.000 0.933 155 L HN 0.607 nan 8.230 nan 0.000 0.451 156 G N -1.567 106.991 108.800 -0.403 0.000 2.409 156 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.421 156 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.421 156 G C 0.121 174.721 174.900 -0.500 0.000 1.259 156 G CA -0.430 44.438 45.100 -0.387 0.000 1.011 156 G HN 0.016 nan 8.290 nan 0.000 0.497 157 C N 0.435 119.522 119.300 -0.355 0.000 2.443 157 C HA 0.082 4.541 4.460 -0.000 0.000 0.290 157 C C 2.155 176.837 174.990 -0.514 0.000 1.476 157 C CA 1.684 60.431 59.018 -0.452 0.000 1.772 157 C CB -2.241 25.294 27.740 -0.342 0.000 1.714 157 C HN 0.646 nan 8.230 nan 0.000 0.562 158 Y N -0.182 119.981 120.300 -0.230 0.000 2.500 158 Y HA 0.515 5.065 4.550 -0.000 0.000 0.270 158 Y C 2.064 177.843 175.900 -0.202 0.000 1.134 158 Y CA 0.177 58.154 58.100 -0.205 0.000 1.293 158 Y CB -1.178 37.228 38.460 -0.091 0.000 1.063 158 Y HN 0.034 nan 8.280 nan 0.000 0.534 159 A N 1.577 124.136 122.820 -0.435 0.000 2.131 159 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 159 A C 2.408 179.914 177.584 -0.130 0.000 1.158 159 A CA 1.505 53.370 52.037 -0.287 0.000 0.665 159 A CB -1.482 17.289 19.000 -0.383 0.000 0.795 159 A HN 0.628 nan 8.150 nan 0.000 0.460 160 G N -0.504 108.215 108.800 -0.136 0.000 2.422 160 G HA2 0.027 3.987 3.960 -0.000 0.000 0.218 160 G HA3 0.027 3.987 3.960 -0.000 0.000 0.218 160 G C 1.433 176.275 174.900 -0.096 0.000 1.146 160 G CA 1.161 46.196 45.100 -0.109 0.000 0.769 160 G HN 0.654 nan 8.290 nan 0.000 0.547 161 G N 0.099 108.823 108.800 -0.127 0.000 2.408 161 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.215 161 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.215 161 G C 1.824 176.679 174.900 -0.074 0.000 1.156 161 G CA 1.571 46.603 45.100 -0.112 0.000 0.793 161 G HN 0.355 nan 8.290 nan 0.000 0.535 162 T N 1.478 115.996 114.554 -0.060 0.000 2.684 162 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 162 T C 2.703 177.300 174.700 -0.171 0.000 1.036 162 T CA 2.065 64.090 62.100 -0.126 0.000 1.148 162 T CB -0.559 68.204 68.868 -0.176 0.000 0.863 162 T HN 0.324 nan 8.240 nan 0.000 0.436 163 V N 0.277 120.116 119.914 -0.126 0.000 2.515 163 V HA -0.018 4.102 4.120 -0.000 0.000 0.250 163 V C 2.278 178.365 176.094 -0.013 0.000 1.058 163 V CA 1.374 63.634 62.300 -0.066 0.000 1.064 163 V CB -1.160 30.666 31.823 0.005 0.000 0.675 163 V HN 0.422 nan 8.190 nan 0.000 0.461 164 L N -0.068 121.169 121.223 0.024 0.000 2.109 164 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 164 L C 2.958 179.806 176.870 -0.037 0.000 1.086 164 L CA 1.930 56.782 54.840 0.019 0.000 0.760 164 L CB -0.563 41.522 42.059 0.043 0.000 0.910 164 L HN 0.314 nan 8.230 nan 0.000 0.437 165 R N 0.444 120.905 120.500 -0.066 0.000 2.081 165 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 165 R C 2.281 178.531 176.300 -0.083 0.000 1.131 165 R CA 1.456 57.507 56.100 -0.083 0.000 0.960 165 R CB -0.204 30.036 30.300 -0.100 0.000 0.856 165 R HN 0.199 nan 8.270 nan 0.000 0.436 166 L N 0.472 121.640 121.223 -0.091 0.000 2.044 166 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 166 L C 2.263 179.092 176.870 -0.069 0.000 1.075 166 L CA 2.131 56.912 54.840 -0.098 0.000 0.747 166 L CB -0.859 41.139 42.059 -0.102 0.000 0.903 166 L HN 0.228 nan 8.230 nan 0.000 0.435 167 A N -0.307 122.485 122.820 -0.047 0.000 1.940 167 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 167 A C 2.458 180.004 177.584 -0.063 0.000 1.176 167 A CA 2.083 54.090 52.037 -0.051 0.000 0.631 167 A CB -0.702 18.271 19.000 -0.045 0.000 0.814 167 A HN 0.560 nan 8.150 nan 0.000 0.446 168 K N -0.541 119.828 120.400 -0.052 0.000 2.026 168 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 168 K C 1.286 177.855 176.600 -0.051 0.000 1.048 168 K CA 1.817 58.077 56.287 -0.046 0.000 0.929 168 K CB -0.238 32.236 32.500 -0.043 0.000 0.713 168 K HN 0.365 nan 8.250 nan 0.000 0.439 169 D N 0.668 121.035 120.400 -0.055 0.000 2.144 169 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 169 D C 1.975 178.242 176.300 -0.055 0.000 0.978 169 D CA 0.961 54.932 54.000 -0.048 0.000 0.833 169 D CB -0.052 40.719 40.800 -0.048 0.000 0.961 169 D HN 0.306 nan 8.370 nan 0.000 0.470 170 I N 1.156 121.676 120.570 -0.083 0.000 2.142 170 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 170 I C 2.481 178.496 176.117 -0.169 0.000 1.078 170 I CA 1.093 62.302 61.300 -0.151 0.000 1.343 170 I CB -0.229 37.613 38.000 -0.263 0.000 1.046 170 I HN -0.080 nan 8.210 nan 0.000 0.405 171 A N 0.256 122.993 122.820 -0.138 0.000 1.933 171 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 171 A C 2.144 179.701 177.584 -0.045 0.000 1.175 171 A CA 1.669 53.651 52.037 -0.092 0.000 0.628 171 A CB -0.531 18.427 19.000 -0.070 0.000 0.814 171 A HN 0.477 nan 8.150 nan 0.000 0.444 172 E N -1.171 119.006 120.200 -0.037 0.000 2.371 172 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 172 E C 1.214 177.808 176.600 -0.009 0.000 1.012 172 E CA 0.643 57.033 56.400 -0.017 0.000 0.860 172 E CB -0.022 29.669 29.700 -0.015 0.000 0.811 172 E HN 0.609 nan 8.360 nan 0.000 0.502 173 N N 0.380 119.073 118.700 -0.013 0.000 2.236 173 N HA 0.014 4.754 4.740 -0.000 0.000 0.196 173 N C -0.772 174.748 175.510 0.016 0.000 1.114 173 N CA 0.119 53.171 53.050 0.003 0.000 0.859 173 N CB 0.586 39.077 38.487 0.006 0.000 0.982 173 N HN -0.070 nan 8.380 nan 0.000 0.493 174 N N 0.968 119.675 118.700 0.012 0.000 2.573 174 N HA 0.053 4.793 4.740 -0.000 0.000 0.262 174 N C -1.292 174.243 175.510 0.042 0.000 1.029 174 N CA -0.379 52.696 53.050 0.042 0.000 0.882 174 N CB 1.742 40.275 38.487 0.076 0.000 1.204 174 N HN 0.127 nan 8.380 nan 0.000 0.519 175 K N 0.481 120.906 120.400 0.042 0.000 2.472 175 K HA 0.068 4.388 4.320 -0.000 0.000 0.280 175 K C 1.104 177.736 176.600 0.054 0.000 1.028 175 K CA 1.186 57.497 56.287 0.040 0.000 1.045 175 K CB 0.119 32.639 32.500 0.034 0.000 0.902 175 K HN 0.758 nan 8.250 nan 0.000 0.478 176 G N 2.090 110.923 108.800 0.056 0.000 2.179 176 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 176 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 176 G C 0.176 175.135 174.900 0.098 0.000 0.977 176 G CA 0.163 45.307 45.100 0.074 0.000 0.641 176 G HN 0.945 nan 8.290 nan 0.000 0.533 177 A N 0.321 123.196 122.820 0.092 0.000 2.511 177 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 177 A C 0.679 178.313 177.584 0.084 0.000 1.069 177 A CA 0.496 52.606 52.037 0.123 0.000 0.763 177 A CB 0.247 19.281 19.000 0.056 0.000 1.001 177 A HN 0.369 nan 8.150 nan 0.000 0.498 178 R N 2.176 122.743 120.500 0.112 0.000 2.435 178 R HA 0.406 4.746 4.340 -0.000 0.000 0.308 178 R C -1.443 174.821 176.300 -0.061 0.000 0.975 178 R CA -0.519 55.578 56.100 -0.005 0.000 0.867 178 R CB 1.405 31.759 30.300 0.090 0.000 1.171 178 R HN 0.464 nan 8.270 nan 0.000 0.470 179 V N 4.673 124.505 119.914 -0.137 0.000 2.407 179 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 179 V C 0.036 176.008 176.094 -0.203 0.000 1.037 179 V CA -0.908 61.330 62.300 -0.104 0.000 0.900 179 V CB 1.505 33.275 31.823 -0.088 0.000 0.983 179 V HN 0.452 nan 8.190 nan 0.000 0.459 180 L N 7.362 128.492 121.223 -0.155 0.000 2.272 180 L HA 0.621 4.960 4.340 -0.000 0.000 0.289 180 L C -0.457 176.333 176.870 -0.134 0.000 1.032 180 L CA 0.301 55.026 54.840 -0.191 0.000 0.810 180 L CB 0.783 42.748 42.059 -0.155 0.000 1.205 180 L HN 0.523 nan 8.230 nan 0.000 0.422 181 I N 5.662 126.121 120.570 -0.185 0.000 2.404 181 I HA 0.495 4.665 4.170 -0.000 0.000 0.293 181 I C -0.892 175.100 176.117 -0.209 0.000 0.992 181 I CA -0.885 60.309 61.300 -0.176 0.000 1.149 181 I CB 1.936 39.785 38.000 -0.252 0.000 1.315 181 I HN 0.266 nan 8.210 nan 0.000 0.446 182 V N 5.371 125.201 119.914 -0.141 0.000 2.447 182 V HA 0.258 4.378 4.120 -0.000 0.000 0.292 182 V C -0.694 175.349 176.094 -0.086 0.000 1.021 182 V CA -0.508 61.715 62.300 -0.128 0.000 0.850 182 V CB 1.651 33.420 31.823 -0.091 0.000 1.005 182 V HN 0.808 nan 8.190 nan 0.000 0.426 183 C N 3.622 122.877 119.300 -0.075 0.000 2.239 183 C HA 0.618 5.078 4.460 -0.000 0.000 0.323 183 C C 0.769 175.768 174.990 0.016 0.000 1.205 183 C CA -0.346 58.670 59.018 -0.002 0.000 1.584 183 C CB 0.427 28.224 27.740 0.095 0.000 2.201 183 C HN 0.833 nan 8.230 nan 0.000 0.475 184 S N 3.382 119.078 115.700 -0.007 0.000 2.594 184 S HA 0.388 4.858 4.470 -0.000 0.000 0.322 184 S C -0.603 173.991 174.600 -0.011 0.000 1.085 184 S CA -0.311 57.890 58.200 0.002 0.000 1.116 184 S CB 0.087 63.278 63.200 -0.015 0.000 0.979 184 S HN 0.729 nan 8.310 nan 0.000 0.465 185 E N 4.529 124.731 120.200 0.004 0.000 2.145 185 E HA 0.401 4.751 4.350 -0.000 0.000 0.270 185 E C -0.616 175.973 176.600 -0.017 0.000 0.906 185 E CA -0.347 56.036 56.400 -0.028 0.000 0.761 185 E CB 1.563 31.243 29.700 -0.034 0.000 1.116 185 E HN 0.612 nan 8.360 nan 0.000 0.408 186 M N 1.354 120.930 119.600 -0.040 0.000 2.395 186 M HA 0.203 4.682 4.480 -0.000 0.000 0.307 186 M C 0.575 176.858 176.300 -0.027 0.000 1.091 186 M CA -0.521 54.770 55.300 -0.016 0.000 0.919 186 M CB 2.245 34.822 32.600 -0.038 0.000 1.662 186 M HN 0.376 nan 8.290 nan 0.000 0.440 187 T N -3.113 111.455 114.554 0.022 0.000 3.163 187 T HA 0.080 4.430 4.350 -0.000 0.000 0.252 187 T C 1.101 175.871 174.700 0.117 0.000 1.056 187 T CA 0.106 62.227 62.100 0.034 0.000 0.947 187 T CB -0.412 68.502 68.868 0.077 0.000 1.016 187 T HN 0.650 nan 8.240 nan 0.000 0.554 188 T N 1.773 116.390 114.554 0.105 0.000 2.833 188 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 188 T C 2.074 176.851 174.700 0.129 0.000 1.054 188 T CA 1.838 64.022 62.100 0.139 0.000 1.135 188 T CB -0.633 68.305 68.868 0.117 0.000 0.869 188 T HN 0.572 nan 8.240 nan 0.000 0.466 189 T N 0.748 115.345 114.554 0.072 0.000 2.915 189 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 189 T C 1.996 176.743 174.700 0.079 0.000 1.071 189 T CA 1.421 63.561 62.100 0.066 0.000 1.132 189 T CB -0.519 68.368 68.868 0.032 0.000 0.878 189 T HN 0.711 nan 8.240 nan 0.000 0.479 190 C N -0.352 118.995 119.300 0.077 0.000 3.183 190 C HA 0.530 4.990 4.460 -0.000 0.000 0.285 190 C C 0.678 175.745 174.990 0.128 0.000 1.313 190 C CA -1.555 57.502 59.018 0.065 0.000 1.711 190 C CB -2.027 25.697 27.740 -0.028 0.000 2.135 190 C HN 0.430 nan 8.230 nan 0.000 0.651 191 F N 4.495 124.487 119.950 0.071 0.000 2.538 191 F HA 0.507 5.034 4.527 -0.000 0.000 0.371 191 F C 0.684 176.557 175.800 0.123 0.000 1.087 191 F CA 0.411 58.485 58.000 0.124 0.000 1.250 191 F CB 0.402 39.484 39.000 0.138 0.000 1.110 191 F HN 0.553 nan 8.300 nan 0.000 0.570 192 R N 3.928 124.247 120.500 -0.303 0.000 2.728 192 R HA 0.566 4.906 4.340 -0.000 0.000 0.274 192 R C -0.693 175.519 176.300 -0.147 0.000 1.032 192 R CA -0.841 55.214 56.100 -0.074 0.000 0.866 192 R CB 0.242 30.550 30.300 0.014 0.000 1.263 192 R HN 0.830 nan 8.270 nan 0.000 0.475 193 G N 1.062 109.819 108.800 -0.072 0.000 2.699 193 G HA2 0.372 4.331 3.960 -0.000 0.000 0.246 193 G HA3 0.372 4.331 3.960 -0.000 0.000 0.246 193 G C -2.140 172.717 174.900 -0.071 0.000 1.219 193 G CA -0.996 43.971 45.100 -0.221 0.000 0.866 193 G HN 0.554 nan 8.290 nan 0.000 0.572 194 P HA 0.289 nan 4.420 nan 0.000 0.279 194 P C -0.771 176.352 177.300 -0.295 0.000 1.252 194 P CA -0.295 62.670 63.100 -0.225 0.000 0.811 194 P CB 1.856 33.320 31.700 -0.394 0.000 1.035 195 S N 0.342 115.836 115.700 -0.345 0.000 2.672 195 S HA 0.181 4.651 4.470 -0.000 0.000 0.291 195 S C 0.805 175.283 174.600 -0.204 0.000 1.145 195 S CA -0.547 57.375 58.200 -0.462 0.000 1.013 195 S CB 0.696 63.235 63.200 -1.101 0.000 1.017 195 S HN 0.337 nan 8.310 nan 0.000 0.487 196 E N 2.048 122.168 120.200 -0.133 0.000 2.153 196 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 196 E C 1.420 177.956 176.600 -0.108 0.000 0.988 196 E CA 1.646 58.005 56.400 -0.069 0.000 0.811 196 E CB -0.057 29.622 29.700 -0.035 0.000 0.746 196 E HN 0.857 nan 8.360 nan 0.000 0.466 197 T N -1.927 112.507 114.554 -0.200 0.000 3.107 197 T HA 0.005 4.355 4.350 -0.000 0.000 0.249 197 T C 0.565 174.921 174.700 -0.572 0.000 1.096 197 T CA 0.123 62.017 62.100 -0.342 0.000 1.012 197 T CB 0.146 68.778 68.868 -0.392 0.000 0.977 197 T HN 0.076 nan 8.240 nan 0.000 0.527 198 H N 0.948 119.980 119.070 -0.062 0.000 2.514 198 H HA 0.353 4.909 4.556 -0.000 0.000 0.226 198 H C 0.716 176.059 175.328 0.025 0.000 1.421 198 H CA -0.569 55.485 56.048 0.009 0.000 1.394 198 H CB 0.311 30.098 29.762 0.042 0.000 1.701 198 H HN 0.221 nan 8.280 nan 0.000 0.515 199 L N -0.422 120.865 121.223 0.108 0.000 2.450 199 L HA -0.140 4.200 4.340 -0.000 0.000 0.224 199 L C 1.350 178.316 176.870 0.160 0.000 1.149 199 L CA 0.727 55.638 54.840 0.119 0.000 0.816 199 L CB -0.045 42.066 42.059 0.087 0.000 0.932 199 L HN 0.203 nan 8.230 nan 0.000 0.449 200 D N 0.008 120.517 120.400 0.182 0.000 2.075 200 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 200 D C 2.349 178.792 176.300 0.238 0.000 0.985 200 D CA 1.522 55.617 54.000 0.158 0.000 0.834 200 D CB -0.309 40.571 40.800 0.134 0.000 0.987 200 D HN 0.092 nan 8.370 nan 0.000 0.452 201 S N 0.583 116.448 115.700 0.275 0.000 2.380 201 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 201 S C 1.917 176.708 174.600 0.318 0.000 1.043 201 S CA 1.304 59.717 58.200 0.353 0.000 1.038 201 S CB -0.378 63.041 63.200 0.365 0.000 0.872 201 S HN 0.295 nan 8.310 nan 0.000 0.456 202 M N 0.985 120.736 119.600 0.252 0.000 2.149 202 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 202 M C 1.792 178.273 176.300 0.301 0.000 1.064 202 M CA 1.570 57.016 55.300 0.244 0.000 1.102 202 M CB -0.333 32.425 32.600 0.265 0.000 1.369 202 M HN 0.271 nan 8.290 nan 0.000 0.408 203 I N -0.188 120.547 120.570 0.275 0.000 2.163 203 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 203 I C 2.514 178.692 176.117 0.102 0.000 1.085 203 I CA 1.468 62.886 61.300 0.197 0.000 1.347 203 I CB -1.135 36.994 38.000 0.215 0.000 1.044 203 I HN 0.484 nan 8.210 nan 0.000 0.408 204 G N 0.170 109.100 108.800 0.216 0.000 2.442 204 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 204 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 204 G C 1.517 176.425 174.900 0.014 0.000 1.141 204 G CA 0.384 45.472 45.100 -0.019 0.000 0.763 204 G HN 0.325 nan 8.290 nan 0.000 0.554 205 Q N 0.290 120.121 119.800 0.053 0.000 2.291 205 Q HA 0.102 4.442 4.340 -0.000 0.000 0.205 205 Q C 2.541 178.551 176.000 0.016 0.000 0.970 205 Q CA 1.152 56.933 55.803 -0.036 0.000 0.876 205 Q CB -0.279 28.263 28.738 -0.327 0.000 0.935 205 Q HN 0.523 nan 8.270 nan 0.000 0.455 206 A N -0.442 122.393 122.820 0.024 0.000 2.115 206 A HA 0.169 4.489 4.320 -0.000 0.000 0.211 206 A C 1.885 179.299 177.584 -0.283 0.000 1.169 206 A CA 0.155 52.103 52.037 -0.149 0.000 0.787 206 A CB 0.129 18.979 19.000 -0.250 0.000 0.858 206 A HN 0.251 nan 8.150 nan 0.000 0.474 207 L N -2.179 118.845 121.223 -0.332 0.000 2.467 207 L HA 0.313 4.653 4.340 -0.000 0.000 0.213 207 L C 0.005 176.627 176.870 -0.413 0.000 1.053 207 L CA -0.106 54.473 54.840 -0.435 0.000 0.847 207 L CB -0.136 41.571 42.059 -0.588 0.000 1.075 207 L HN 0.234 nan 8.230 nan 0.000 0.479 208 F N 0.899 120.751 119.950 -0.165 0.000 2.456 208 F HA 0.446 4.973 4.527 -0.000 0.000 0.358 208 F C 1.007 176.731 175.800 -0.127 0.000 1.095 208 F CA -0.516 57.396 58.000 -0.146 0.000 1.216 208 F CB 0.928 39.824 39.000 -0.173 0.000 1.125 208 F HN -0.141 nan 8.300 nan 0.000 0.549 209 G N 1.876 110.754 108.800 0.129 0.000 2.714 209 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 209 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 209 G C -1.773 173.175 174.900 0.079 0.000 1.308 209 G CA -0.768 44.370 45.100 0.063 0.000 0.964 209 G HN 0.400 nan 8.290 nan 0.000 0.484 210 D N -0.785 119.678 120.400 0.104 0.000 2.181 210 D HA 0.684 5.324 4.640 -0.000 0.000 0.248 210 D C 0.384 176.738 176.300 0.090 0.000 1.020 210 D CA 0.326 54.384 54.000 0.097 0.000 0.891 210 D CB 1.793 42.673 40.800 0.134 0.000 1.187 210 D HN 0.798 nan 8.370 nan 0.000 0.443 211 G N -0.979 107.862 108.800 0.068 0.000 2.442 211 G HA2 0.591 4.551 3.960 -0.000 0.000 0.296 211 G HA3 0.591 4.551 3.960 -0.000 0.000 0.296 211 G C -1.900 173.102 174.900 0.170 0.000 1.564 211 G CA -0.474 44.692 45.100 0.109 0.000 0.828 211 G HN 0.553 nan 8.290 nan 0.000 0.571 212 A N -0.516 122.449 122.820 0.242 0.000 2.435 212 A HA 1.079 5.399 4.320 -0.000 0.000 0.304 212 A C -0.084 177.578 177.584 0.131 0.000 1.064 212 A CA 0.039 52.168 52.037 0.154 0.000 0.727 212 A CB 1.787 20.820 19.000 0.055 0.000 1.284 212 A HN 2.470 nan 8.150 nan 0.000 0.415 213 A N 0.462 123.315 122.820 0.056 0.000 2.414 213 A HA 0.919 5.239 4.320 -0.000 0.000 0.306 213 A C -0.349 177.110 177.584 -0.207 0.000 1.054 213 A CA 0.049 52.024 52.037 -0.103 0.000 0.724 213 A CB 1.469 20.500 19.000 0.051 0.000 1.267 213 A HN 2.448 nan 8.150 nan 0.000 0.418 214 A N 0.873 123.534 122.820 -0.265 0.000 2.414 214 A HA 0.865 5.185 4.320 -0.000 0.000 0.306 214 A C -0.477 176.906 177.584 -0.334 0.000 1.054 214 A CA -0.098 51.768 52.037 -0.285 0.000 0.724 214 A CB 1.431 20.320 19.000 -0.185 0.000 1.267 214 A HN 2.321 nan 8.150 nan 0.000 0.418 215 V N -0.473 119.214 119.914 -0.379 0.000 3.049 215 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 215 V C -1.121 174.788 176.094 -0.308 0.000 1.148 215 V CA -0.929 61.172 62.300 -0.331 0.000 0.990 215 V CB 1.868 33.450 31.823 -0.401 0.000 1.039 215 V HN 0.689 nan 8.190 nan 0.000 0.430 216 I N 2.959 123.343 120.570 -0.311 0.000 2.378 216 I HA 0.637 4.806 4.170 -0.000 0.000 0.291 216 I C -0.361 175.558 176.117 -0.330 0.000 0.992 216 I CA -0.552 60.475 61.300 -0.455 0.000 1.154 216 I CB 1.693 39.209 38.000 -0.807 0.000 1.315 216 I HN 0.549 nan 8.210 nan 0.000 0.448 217 V N 4.928 124.672 119.914 -0.284 0.000 2.604 217 V HA 0.937 5.057 4.120 -0.000 0.000 0.305 217 V C 0.225 176.231 176.094 -0.148 0.000 1.043 217 V CA -0.422 61.779 62.300 -0.165 0.000 0.888 217 V CB 2.027 33.784 31.823 -0.109 0.000 0.995 217 V HN 0.969 nan 8.190 nan 0.000 0.429 218 G N 2.279 111.031 108.800 -0.080 0.000 2.703 218 G HA2 0.743 4.703 3.960 -0.000 0.000 0.294 218 G HA3 0.743 4.703 3.960 -0.000 0.000 0.294 218 G C -1.209 173.690 174.900 -0.001 0.000 1.451 218 G CA -0.025 45.054 45.100 -0.034 0.000 0.869 218 G HN 1.039 nan 8.290 nan 0.000 0.516 219 A N 0.356 123.181 122.820 0.008 0.000 2.294 219 A HA 0.759 5.079 4.320 -0.000 0.000 0.330 219 A C 0.362 177.964 177.584 0.030 0.000 1.133 219 A CA 0.386 52.432 52.037 0.015 0.000 0.836 219 A CB 0.855 19.860 19.000 0.008 0.000 1.190 219 A HN 1.766 nan 8.150 nan 0.000 0.492 220 D N -0.012 120.404 120.400 0.027 0.000 2.927 220 D HA -0.096 4.544 4.640 -0.000 0.000 0.236 220 D C -2.041 174.284 176.300 0.041 0.000 1.163 220 D CA 0.718 54.735 54.000 0.030 0.000 0.801 220 D CB -0.724 40.093 40.800 0.028 0.000 0.975 220 D HN 0.404 nan 8.370 nan 0.000 0.413 221 P HA 0.152 nan 4.420 nan 0.000 0.271 221 P C -0.299 177.026 177.300 0.041 0.000 1.218 221 P CA -0.183 62.952 63.100 0.058 0.000 0.780 221 P CB 0.748 32.480 31.700 0.053 0.000 0.901 222 D N 2.572 122.999 120.400 0.045 0.000 2.422 222 D HA 0.078 4.718 4.640 -0.000 0.000 0.227 222 D C 1.185 177.489 176.300 0.007 0.000 1.190 222 D CA -0.253 53.757 54.000 0.018 0.000 0.905 222 D CB -0.064 40.739 40.800 0.005 0.000 1.034 222 D HN 0.228 nan 8.370 nan 0.000 0.507 223 L N 2.771 123.996 121.223 0.003 0.000 2.642 223 L HA -0.107 4.233 4.340 -0.000 0.000 0.236 223 L C 2.163 179.024 176.870 -0.015 0.000 1.169 223 L CA 1.107 55.945 54.840 -0.005 0.000 0.851 223 L CB -0.568 41.487 42.059 -0.007 0.000 0.968 223 L HN 0.452 nan 8.230 nan 0.000 0.453 224 T N -5.063 109.479 114.554 -0.020 0.000 3.081 224 T HA -0.005 4.345 4.350 -0.000 0.000 0.255 224 T C 1.357 176.033 174.700 -0.040 0.000 1.113 224 T CA 0.814 62.897 62.100 -0.028 0.000 1.082 224 T CB 0.678 69.528 68.868 -0.029 0.000 0.939 224 T HN 0.186 nan 8.240 nan 0.000 0.506 225 V N -0.526 119.361 119.914 -0.045 0.000 3.141 225 V HA 0.374 4.494 4.120 -0.000 0.000 0.225 225 V C -0.188 175.872 176.094 -0.057 0.000 1.352 225 V CA -0.223 62.034 62.300 -0.072 0.000 1.316 225 V CB 0.780 32.533 31.823 -0.118 0.000 1.126 225 V HN 0.395 nan 8.190 nan 0.000 0.493 226 E N 1.449 121.638 120.200 -0.019 0.000 2.343 226 E HA 0.464 4.814 4.350 -0.000 0.000 0.269 226 E C -0.758 175.867 176.600 0.043 0.000 1.047 226 E CA -0.330 56.103 56.400 0.055 0.000 0.874 226 E CB 0.955 30.738 29.700 0.138 0.000 1.033 226 E HN 0.349 nan 8.360 nan 0.000 0.409 227 R N 3.116 123.651 120.500 0.058 0.000 2.412 227 R HA 0.287 4.627 4.340 -0.000 0.000 0.304 227 R C -2.551 173.749 176.300 0.001 0.000 1.066 227 R CA -1.921 54.187 56.100 0.013 0.000 0.923 227 R CB 1.227 31.525 30.300 -0.004 0.000 1.156 227 R HN 0.318 nan 8.270 nan 0.000 0.513 228 P HA 0.040 nan 4.420 nan 0.000 0.267 228 P C 0.115 177.346 177.300 -0.115 0.000 1.200 228 P CA 0.271 63.346 63.100 -0.041 0.000 0.772 228 P CB 0.849 32.525 31.700 -0.040 0.000 0.855 229 I N -0.188 120.294 120.570 -0.146 0.000 3.570 229 I HA 0.209 4.379 4.170 -0.000 0.000 0.270 229 I C 0.049 175.770 176.117 -0.659 0.000 1.162 229 I CA 0.493 61.577 61.300 -0.360 0.000 1.413 229 I CB 0.219 38.096 38.000 -0.205 0.000 1.437 229 I HN 0.157 nan 8.210 nan 0.000 0.457 230 F N 0.755 120.707 119.950 0.004 0.000 2.591 230 F HA 0.414 4.941 4.527 -0.000 0.000 0.309 230 F C -0.383 175.434 175.800 0.029 0.000 1.098 230 F CA -0.898 57.121 58.000 0.033 0.000 0.937 230 F CB 1.650 40.700 39.000 0.082 0.000 1.250 230 F HN -0.194 nan 8.300 nan 0.000 0.447 231 E N 2.680 123.023 120.200 0.238 0.000 2.191 231 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 231 E C -1.115 175.561 176.600 0.127 0.000 0.972 231 E CA -0.743 55.735 56.400 0.129 0.000 0.804 231 E CB 1.799 31.541 29.700 0.071 0.000 1.110 231 E HN 0.446 nan 8.360 nan 0.000 0.394 232 L N 3.919 125.188 121.223 0.075 0.000 2.282 232 L HA 0.141 4.481 4.340 -0.000 0.000 0.287 232 L C 0.974 177.860 176.870 0.027 0.000 1.075 232 L CA -0.373 54.489 54.840 0.036 0.000 0.839 232 L CB 0.569 42.635 42.059 0.011 0.000 1.219 232 L HN 0.499 nan 8.230 nan 0.000 0.434 233 V N 1.320 121.257 119.914 0.038 0.000 2.302 233 V HA -0.056 4.064 4.120 -0.000 0.000 0.243 233 V C 1.058 177.140 176.094 -0.020 0.000 1.036 233 V CA 1.395 63.728 62.300 0.053 0.000 1.020 233 V CB 0.060 31.977 31.823 0.157 0.000 0.657 233 V HN 0.890 nan 8.190 nan 0.000 0.453 234 S N -0.784 114.864 115.700 -0.087 0.000 2.570 234 S HA 0.669 5.139 4.470 -0.000 0.000 0.270 234 S C -0.665 173.837 174.600 -0.163 0.000 1.149 234 S CA -0.054 58.070 58.200 -0.127 0.000 0.837 234 S CB 2.345 65.442 63.200 -0.171 0.000 1.124 234 S HN 0.526 nan 8.310 nan 0.000 0.465 235 T N -1.555 112.911 114.554 -0.147 0.000 2.903 235 T HA 0.926 5.276 4.350 -0.000 0.000 0.299 235 T C -0.502 174.112 174.700 -0.143 0.000 1.093 235 T CA -0.491 61.516 62.100 -0.155 0.000 1.002 235 T CB 1.280 70.075 68.868 -0.122 0.000 1.127 235 T HN 1.956 nan 8.240 nan 0.000 0.488 236 A N 1.287 124.019 122.820 -0.146 0.000 2.606 236 A HA 0.846 5.166 4.320 -0.000 0.000 0.293 236 A C -1.405 176.117 177.584 -0.104 0.000 1.082 236 A CA -0.860 51.107 52.037 -0.117 0.000 0.685 236 A CB 2.112 21.041 19.000 -0.119 0.000 1.284 236 A HN 1.010 nan 8.150 nan 0.000 0.408 237 Q N 0.200 119.946 119.800 -0.090 0.000 2.345 237 Q HA 0.685 5.025 4.340 -0.000 0.000 0.275 237 Q C -1.476 174.474 176.000 -0.083 0.000 1.063 237 Q CA -0.321 55.422 55.803 -0.100 0.000 0.819 237 Q CB 2.461 31.120 28.738 -0.133 0.000 1.356 237 Q HN 0.950 nan 8.270 nan 0.000 0.418 238 T N 2.509 117.018 114.554 -0.076 0.000 2.821 238 T HA 0.591 4.940 4.350 -0.000 0.000 0.306 238 T C -1.458 173.205 174.700 -0.062 0.000 1.313 238 T CA -0.460 61.606 62.100 -0.056 0.000 1.012 238 T CB 1.116 69.969 68.868 -0.025 0.000 1.298 238 T HN 0.529 nan 8.240 nan 0.000 0.502 239 I N 2.927 123.470 120.570 -0.045 0.000 2.339 239 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 239 I C 0.114 176.222 176.117 -0.014 0.000 0.994 239 I CA -1.026 60.252 61.300 -0.036 0.000 1.191 239 I CB 1.851 39.836 38.000 -0.026 0.000 1.343 239 I HN 0.338 nan 8.210 nan 0.000 0.458 240 V N 8.653 128.562 119.914 -0.009 0.000 2.540 240 V HA 0.037 4.157 4.120 -0.000 0.000 0.297 240 V C -1.949 174.148 176.094 0.005 0.000 1.024 240 V CA -0.999 61.297 62.300 -0.006 0.000 1.105 240 V CB -0.064 31.750 31.823 -0.015 0.000 0.938 240 V HN 0.586 nan 8.190 nan 0.000 0.482 241 P HA 0.121 nan 4.420 nan 0.000 0.266 241 P C 0.193 177.508 177.300 0.025 0.000 1.195 241 P CA 0.126 63.234 63.100 0.013 0.000 0.768 241 P CB 0.212 31.917 31.700 0.008 0.000 0.838 242 E N 0.202 120.424 120.200 0.037 0.000 2.328 242 E HA -0.206 4.144 4.350 -0.000 0.000 0.233 242 E C 0.181 176.827 176.600 0.077 0.000 1.219 242 E CA 1.410 57.845 56.400 0.058 0.000 0.717 242 E CB -2.165 27.562 29.700 0.045 0.000 1.210 242 E HN 0.461 nan 8.360 nan 0.000 0.381 243 S N -1.929 113.817 115.700 0.076 0.000 2.650 243 S HA 0.102 4.572 4.470 -0.000 0.000 0.240 243 S C 0.349 174.976 174.600 0.045 0.000 1.007 243 S CA -0.365 57.870 58.200 0.058 0.000 0.984 243 S CB 0.054 63.264 63.200 0.017 0.000 0.910 243 S HN 0.451 nan 8.310 nan 0.000 0.509 244 H N 2.205 121.281 119.070 0.010 0.000 3.125 244 H HA 0.394 4.950 4.556 -0.000 0.000 0.310 244 H C 1.553 176.849 175.328 -0.054 0.000 0.980 244 H CA 1.705 57.750 56.048 -0.006 0.000 1.422 244 H CB -0.149 29.628 29.762 0.025 0.000 1.432 244 H HN 0.466 nan 8.280 nan 0.000 0.577 245 G N 2.655 111.007 108.800 -0.747 0.000 2.162 245 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 245 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 245 G C 1.267 175.546 174.900 -1.035 0.000 0.976 245 G CA 0.565 45.231 45.100 -0.723 0.000 0.655 245 G HN 1.008 nan 8.290 nan 0.000 0.533 246 A N -0.713 121.579 122.820 -0.880 0.000 1.969 246 A HA 0.501 4.821 4.320 -0.000 0.000 0.218 246 A C 1.143 178.403 177.584 -0.541 0.000 1.169 246 A CA 1.481 52.942 52.037 -0.960 0.000 0.635 246 A CB 0.033 18.851 19.000 -0.303 0.000 0.810 246 A HN 0.943 nan 8.150 nan 0.000 0.445 247 I N 0.275 120.649 120.570 -0.327 0.000 2.503 247 I HA 0.305 4.475 4.170 -0.000 0.000 0.282 247 I C -1.228 174.814 176.117 -0.126 0.000 1.059 247 I CA -0.220 60.987 61.300 -0.155 0.000 1.081 247 I CB 1.728 39.738 38.000 0.017 0.000 1.210 247 I HN 0.188 nan 8.210 nan 0.000 0.450 248 E N 4.075 124.188 120.200 -0.145 0.000 2.317 248 E HA 0.743 5.093 4.350 -0.000 0.000 0.270 248 E C -0.538 175.932 176.600 -0.216 0.000 0.885 248 E CA -0.986 55.317 56.400 -0.162 0.000 0.760 248 E CB 3.202 32.813 29.700 -0.148 0.000 1.227 248 E HN 0.686 nan 8.360 nan 0.000 0.434 249 G N 1.954 110.551 108.800 -0.339 0.000 2.732 249 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 249 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 249 G C -1.232 173.433 174.900 -0.392 0.000 1.456 249 G CA -0.444 44.499 45.100 -0.262 0.000 1.050 249 G HN 0.386 nan 8.290 nan 0.000 0.525 250 H N 1.916 121.022 119.070 0.060 0.000 2.538 250 H HA 0.364 4.920 4.556 -0.000 0.000 0.353 250 H C -0.924 174.399 175.328 -0.009 0.000 1.109 250 H CA -0.820 55.243 56.048 0.025 0.000 1.192 250 H CB 2.631 32.429 29.762 0.061 0.000 1.555 250 H HN 0.412 nan 8.280 nan 0.000 0.518 251 L N 4.202 125.454 121.223 0.047 0.000 2.268 251 L HA 0.209 4.549 4.340 -0.000 0.000 0.289 251 L C -1.126 175.753 176.870 0.015 0.000 1.064 251 L CA -0.162 54.675 54.840 -0.006 0.000 0.824 251 L CB -0.478 41.496 42.059 -0.142 0.000 1.202 251 L HN 0.343 nan 8.230 nan 0.000 0.433 252 L N 3.317 124.555 121.223 0.026 0.000 2.341 252 L HA 0.448 4.788 4.340 -0.000 0.000 0.267 252 L C 1.368 178.238 176.870 -0.000 0.000 1.022 252 L CA -0.235 54.610 54.840 0.009 0.000 0.844 252 L CB 0.771 42.834 42.059 0.006 0.000 1.436 252 L HN 0.502 nan 8.230 nan 0.000 0.483 253 E N -0.499 119.695 120.200 -0.010 0.000 2.409 253 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 253 E C 0.815 177.410 176.600 -0.010 0.000 1.024 253 E CA 1.114 57.508 56.400 -0.011 0.000 0.861 253 E CB 0.023 29.714 29.700 -0.015 0.000 0.788 253 E HN 0.583 nan 8.360 nan 0.000 0.521 254 S N -0.557 115.130 115.700 -0.020 0.000 2.575 254 S HA 0.455 4.925 4.470 -0.000 0.000 0.237 254 S C 0.735 175.327 174.600 -0.013 0.000 0.975 254 S CA -0.196 57.986 58.200 -0.031 0.000 0.960 254 S CB 0.638 63.788 63.200 -0.084 0.000 0.822 254 S HN 0.326 nan 8.310 nan 0.000 0.472 255 G N 1.100 109.908 108.800 0.012 0.000 2.582 255 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.222 255 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.222 255 G C -0.979 173.943 174.900 0.036 0.000 1.311 255 G CA -0.522 44.601 45.100 0.038 0.000 0.915 255 G HN 0.749 nan 8.290 nan 0.000 0.528 256 L N 1.388 122.644 121.223 0.055 0.000 2.319 256 L HA 0.648 4.988 4.340 -0.000 0.000 0.280 256 L C 1.229 178.113 176.870 0.023 0.000 1.099 256 L CA 0.466 55.341 54.840 0.058 0.000 0.828 256 L CB 0.776 42.885 42.059 0.083 0.000 1.150 256 L HN 1.444 nan 8.230 nan 0.000 0.442 257 S N 4.596 120.300 115.700 0.007 0.000 2.672 257 S HA 0.618 5.088 4.470 -0.000 0.000 0.276 257 S C -0.529 174.023 174.600 -0.079 0.000 1.207 257 S CA -0.571 57.589 58.200 -0.067 0.000 1.002 257 S CB 1.027 64.181 63.200 -0.076 0.000 0.998 257 S HN 0.547 nan 8.310 nan 0.000 0.542 258 F N 1.510 121.225 119.950 -0.391 0.000 2.562 258 F HA 0.477 5.003 4.527 -0.000 0.000 0.319 258 F C -0.934 174.616 175.800 -0.417 0.000 1.154 258 F CA -0.629 57.196 58.000 -0.292 0.000 0.931 258 F CB 1.335 40.319 39.000 -0.028 0.000 1.198 258 F HN 0.698 nan 8.300 nan 0.000 0.444 259 H N 6.801 125.572 119.070 -0.500 0.000 2.609 259 H HA 0.582 5.138 4.556 -0.000 0.000 0.344 259 H C -1.576 173.379 175.328 -0.622 0.000 1.040 259 H CA -0.869 54.931 56.048 -0.414 0.000 1.216 259 H CB 2.449 32.125 29.762 -0.144 0.000 1.529 259 H HN 0.671 nan 8.280 nan 0.000 0.519 260 L N 3.529 124.547 121.223 -0.342 0.000 2.439 260 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 260 L C -1.155 175.768 176.870 0.088 0.000 0.972 260 L CA -0.419 54.279 54.840 -0.237 0.000 0.836 260 L CB 1.257 43.113 42.059 -0.337 0.000 1.255 260 L HN 0.550 nan 8.230 nan 0.000 0.404 261 Y N 3.537 123.800 120.300 -0.062 0.000 2.379 261 Y HA 0.109 4.659 4.550 -0.000 0.000 0.337 261 Y C 1.143 177.030 175.900 -0.021 0.000 1.238 261 Y CA -0.667 57.414 58.100 -0.032 0.000 1.405 261 Y CB 1.181 39.625 38.460 -0.027 0.000 1.310 261 Y HN 0.593 nan 8.280 nan 0.000 0.569 262 K N -0.162 120.310 120.400 0.121 0.000 2.432 262 K HA -0.070 4.250 4.320 -0.000 0.000 0.196 262 K C 1.581 178.212 176.600 0.053 0.000 1.038 262 K CA 1.304 57.626 56.287 0.058 0.000 0.986 262 K CB -0.109 32.400 32.500 0.015 0.000 0.782 262 K HN 0.681 nan 8.250 nan 0.000 0.485 263 T N -1.964 112.642 114.554 0.086 0.000 3.113 263 T HA 0.022 4.371 4.350 -0.000 0.000 0.256 263 T C 1.881 176.613 174.700 0.052 0.000 1.131 263 T CA 0.107 62.246 62.100 0.065 0.000 1.074 263 T CB -0.232 68.688 68.868 0.086 0.000 0.944 263 T HN -0.149 nan 8.240 nan 0.000 0.516 264 V N 2.897 122.848 119.914 0.062 0.000 2.252 264 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 264 V C -0.019 176.051 176.094 -0.040 0.000 1.056 264 V CA 2.140 64.449 62.300 0.015 0.000 1.022 264 V CB -1.497 30.345 31.823 0.032 0.000 0.641 264 V HN 0.416 nan 8.190 nan 0.000 0.445 265 P HA -0.116 nan 4.420 nan 0.000 0.215 265 P C 1.826 179.072 177.300 -0.090 0.000 1.153 265 P CA 1.764 64.817 63.100 -0.079 0.000 0.853 265 P CB -0.188 31.481 31.700 -0.053 0.000 0.788 266 T N -0.470 114.051 114.554 -0.055 0.000 2.777 266 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 266 T C 1.747 176.411 174.700 -0.060 0.000 1.040 266 T CA 1.026 63.096 62.100 -0.050 0.000 1.141 266 T CB -0.913 67.940 68.868 -0.026 0.000 0.868 266 T HN 0.038 nan 8.240 nan 0.000 0.444 267 L N 0.228 121.421 121.223 -0.049 0.000 2.046 267 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 267 L C 2.442 179.251 176.870 -0.103 0.000 1.077 267 L CA 1.293 56.102 54.840 -0.051 0.000 0.747 267 L CB -0.543 41.503 42.059 -0.022 0.000 0.896 267 L HN 0.277 nan 8.230 nan 0.000 0.432 268 I N -0.541 119.927 120.570 -0.170 0.000 2.162 268 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 268 I C 2.825 178.770 176.117 -0.286 0.000 1.076 268 I CA 1.505 62.623 61.300 -0.302 0.000 1.353 268 I CB -0.397 37.280 38.000 -0.538 0.000 1.063 268 I HN 0.331 nan 8.210 nan 0.000 0.408 269 S N 1.167 116.723 115.700 -0.239 0.000 2.383 269 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 269 S C 1.705 176.233 174.600 -0.120 0.000 1.030 269 S CA 1.475 59.567 58.200 -0.181 0.000 1.002 269 S CB -0.660 62.459 63.200 -0.135 0.000 0.829 269 S HN 0.405 nan 8.310 nan 0.000 0.467 270 N N 1.954 120.598 118.700 -0.093 0.000 2.512 270 N HA 0.037 4.777 4.740 -0.000 0.000 0.183 270 N C 1.263 176.744 175.510 -0.049 0.000 1.073 270 N CA 0.578 53.595 53.050 -0.055 0.000 0.911 270 N CB -0.536 37.928 38.487 -0.038 0.000 0.964 270 N HN 0.591 nan 8.380 nan 0.000 0.447 271 N N 0.403 119.057 118.700 -0.077 0.000 2.250 271 N HA 0.084 4.824 4.740 -0.000 0.000 0.190 271 N C 1.272 176.739 175.510 -0.073 0.000 1.116 271 N CA -0.175 52.840 53.050 -0.060 0.000 0.881 271 N CB 0.526 38.979 38.487 -0.057 0.000 1.006 271 N HN -0.025 nan 8.380 nan 0.000 0.491 272 I N 1.768 122.262 120.570 -0.127 0.000 2.208 272 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 272 I C 2.069 178.124 176.117 -0.104 0.000 1.097 272 I CA 1.166 62.362 61.300 -0.173 0.000 1.363 272 I CB -0.665 37.200 38.000 -0.224 0.000 1.051 272 I HN 0.121 nan 8.210 nan 0.000 0.413 273 K N 0.028 120.392 120.400 -0.059 0.000 2.147 273 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 273 K C 2.034 178.641 176.600 0.012 0.000 1.049 273 K CA 1.558 57.830 56.287 -0.026 0.000 0.936 273 K CB -0.106 32.457 32.500 0.105 0.000 0.722 273 K HN 0.332 nan 8.250 nan 0.000 0.446 274 T N 0.579 115.143 114.554 0.017 0.000 2.777 274 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 274 T C 2.081 176.797 174.700 0.026 0.000 1.040 274 T CA 1.028 63.148 62.100 0.033 0.000 1.141 274 T CB -0.295 68.586 68.868 0.022 0.000 0.868 274 T HN 0.298 nan 8.240 nan 0.000 0.444 275 C N 1.075 120.390 119.300 0.026 0.000 2.429 275 C HA 0.070 4.530 4.460 -0.000 0.000 0.277 275 C C 2.697 177.710 174.990 0.037 0.000 1.262 275 C CA 0.340 59.401 59.018 0.071 0.000 1.733 275 C CB -1.389 26.478 27.740 0.212 0.000 2.010 275 C HN 0.508 nan 8.230 nan 0.000 0.483 276 L N 0.404 121.608 121.223 -0.031 0.000 2.046 276 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 276 L C 2.799 179.652 176.870 -0.027 0.000 1.077 276 L CA 1.746 56.461 54.840 -0.207 0.000 0.747 276 L CB -0.775 40.686 42.059 -0.997 0.000 0.896 276 L HN 0.358 nan 8.230 nan 0.000 0.432 277 S N -0.237 115.506 115.700 0.072 0.000 2.356 277 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 277 S C 1.658 176.334 174.600 0.128 0.000 1.032 277 S CA 1.719 60.064 58.200 0.241 0.000 1.005 277 S CB -0.232 63.095 63.200 0.213 0.000 0.867 277 S HN 0.400 nan 8.310 nan 0.000 0.449 278 D N 1.117 121.543 120.400 0.044 0.000 2.144 278 D HA 0.004 4.644 4.640 -0.000 0.000 0.199 278 D C 2.065 178.318 176.300 -0.078 0.000 0.984 278 D CA 1.294 55.288 54.000 -0.010 0.000 0.834 278 D CB -0.462 40.324 40.800 -0.023 0.000 0.955 278 D HN 0.512 nan 8.370 nan 0.000 0.465 279 A N -0.496 122.236 122.820 -0.147 0.000 1.935 279 A HA 0.011 4.330 4.320 -0.000 0.000 0.214 279 A C 1.675 178.949 177.584 -0.515 0.000 1.178 279 A CA 0.573 52.380 52.037 -0.385 0.000 0.640 279 A CB -0.406 18.244 19.000 -0.583 0.000 0.825 279 A HN 0.130 nan 8.150 nan 0.000 0.447 280 F N -0.462 119.461 119.950 -0.046 0.000 2.717 280 F HA 0.085 4.612 4.527 -0.000 0.000 0.295 280 F C 2.399 178.199 175.800 -0.000 0.000 1.117 280 F CA 1.000 58.989 58.000 -0.017 0.000 1.361 280 F CB -0.414 38.673 39.000 0.145 0.000 1.112 280 F HN 0.045 nan 8.300 nan 0.000 0.594 281 T N 1.225 115.886 114.554 0.179 0.000 2.720 281 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 281 T C -0.528 174.186 174.700 0.023 0.000 1.037 281 T CA 1.515 63.678 62.100 0.104 0.000 1.144 281 T CB -1.129 67.793 68.868 0.090 0.000 0.864 281 T HN 0.073 nan 8.240 nan 0.000 0.444 282 P HA 0.068 nan 4.420 nan 0.000 0.225 282 P C 0.909 178.167 177.300 -0.070 0.000 1.148 282 P CA 0.841 63.912 63.100 -0.048 0.000 0.779 282 P CB -0.127 31.529 31.700 -0.073 0.000 0.780 283 L N -2.062 119.105 121.223 -0.092 0.000 2.667 283 L HA 0.224 4.564 4.340 -0.000 0.000 0.232 283 L C 0.045 176.834 176.870 -0.134 0.000 1.138 283 L CA 0.059 54.798 54.840 -0.168 0.000 0.921 283 L CB -0.908 40.955 42.059 -0.327 0.000 1.180 283 L HN 0.019 nan 8.230 nan 0.000 0.487 284 N N 0.620 119.285 118.700 -0.058 0.000 2.747 284 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 284 N C -0.317 175.152 175.510 -0.068 0.000 1.107 284 N CA 0.147 53.168 53.050 -0.048 0.000 0.707 284 N CB -0.950 37.509 38.487 -0.047 0.000 1.054 284 N HN 0.304 nan 8.380 nan 0.000 0.555 285 I N 0.334 120.881 120.570 -0.038 0.000 2.404 285 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 285 I C 1.040 177.088 176.117 -0.114 0.000 0.992 285 I CA -0.224 61.024 61.300 -0.087 0.000 1.149 285 I CB 1.759 39.691 38.000 -0.112 0.000 1.315 285 I HN 0.145 nan 8.210 nan 0.000 0.446 286 S N 1.414 116.892 115.700 -0.371 0.000 2.679 286 S HA 0.100 4.570 4.470 -0.000 0.000 0.258 286 S C 0.158 173.999 174.600 -1.265 0.000 1.068 286 S CA -0.356 57.360 58.200 -0.807 0.000 1.115 286 S CB 0.191 63.128 63.200 -0.439 0.000 1.078 286 S HN 0.608 nan 8.310 nan 0.000 0.603 287 D N 1.375 121.363 120.400 -0.686 0.000 2.393 287 D HA 0.265 4.905 4.640 -0.000 0.000 0.232 287 D C 0.197 176.367 176.300 -0.216 0.000 1.192 287 D CA -0.658 53.061 54.000 -0.468 0.000 0.882 287 D CB 0.005 40.683 40.800 -0.204 0.000 1.038 287 D HN 0.453 nan 8.370 nan 0.000 0.499 288 W N 2.393 123.711 121.300 0.029 0.000 2.421 288 W HA -0.066 4.594 4.660 -0.000 0.000 0.270 288 W C 1.641 178.304 176.519 0.240 0.000 1.233 288 W CA -0.574 56.855 57.345 0.141 0.000 1.226 288 W CB 0.078 29.693 29.460 0.257 0.000 1.121 288 W HN 0.339 nan 8.180 nan 0.000 0.579 289 N N 0.128 119.003 118.700 0.291 0.000 2.467 289 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 289 N C 1.662 177.291 175.510 0.198 0.000 1.106 289 N CA 1.337 54.515 53.050 0.214 0.000 0.892 289 N CB -0.078 38.470 38.487 0.102 0.000 0.969 289 N HN 0.110 nan 8.380 nan 0.000 0.454 290 S N -0.482 115.318 115.700 0.166 0.000 2.593 290 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 290 S C 0.775 175.493 174.600 0.197 0.000 0.966 290 S CA -0.204 58.085 58.200 0.148 0.000 0.914 290 S CB -0.000 63.251 63.200 0.085 0.000 0.776 290 S HN 0.061 nan 8.310 nan 0.000 0.523 291 L N 1.787 123.139 121.223 0.215 0.000 2.344 291 L HA 0.611 4.950 4.340 -0.000 0.000 0.272 291 L C -0.180 176.870 176.870 0.300 0.000 1.035 291 L CA -1.534 53.378 54.840 0.120 0.000 0.807 291 L CB 0.941 42.893 42.059 -0.179 0.000 1.237 291 L HN 0.304 nan 8.230 nan 0.000 0.442 292 F N -1.361 118.709 119.950 0.200 0.000 2.385 292 F HA 0.573 5.100 4.527 -0.000 0.000 0.336 292 F C -0.991 174.923 175.800 0.189 0.000 1.100 292 F CA -1.069 57.077 58.000 0.242 0.000 1.116 292 F CB 0.404 39.509 39.000 0.175 0.000 1.166 292 F HN 0.197 nan 8.300 nan 0.000 0.511 293 W N 4.104 125.520 121.300 0.193 0.000 2.529 293 W HA 0.681 5.341 4.660 -0.000 0.000 0.321 293 W C -1.068 175.518 176.519 0.111 0.000 1.047 293 W CA -0.934 56.471 57.345 0.100 0.000 1.216 293 W CB 1.790 31.322 29.460 0.121 0.000 1.357 293 W HN 0.387 nan 8.180 nan 0.000 0.489 294 I N 4.200 124.877 120.570 0.178 0.000 2.495 294 I HA 0.488 4.658 4.170 -0.000 0.000 0.277 294 I C -0.159 176.015 176.117 0.096 0.000 1.045 294 I CA -0.668 60.690 61.300 0.097 0.000 1.135 294 I CB 0.523 38.489 38.000 -0.058 0.000 1.241 294 I HN 0.447 nan 8.210 nan 0.000 0.469 295 A N 4.030 126.973 122.820 0.205 0.000 2.342 295 A HA 0.529 4.849 4.320 -0.000 0.000 0.323 295 A C -0.733 176.920 177.584 0.114 0.000 1.125 295 A CA -0.584 51.582 52.037 0.215 0.000 0.785 295 A CB 0.682 19.954 19.000 0.453 0.000 1.221 295 A HN 0.736 nan 8.150 nan 0.000 0.463 296 H N 3.737 122.748 119.070 -0.099 0.000 3.046 296 H HA 0.286 4.842 4.556 -0.000 0.000 0.303 296 H C -2.114 173.302 175.328 0.145 0.000 1.002 296 H CA -0.947 55.076 56.048 -0.042 0.000 1.460 296 H CB 0.736 30.412 29.762 -0.142 0.000 1.493 296 H HN 0.319 nan 8.280 nan 0.000 0.559 297 P HA 0.130 nan 4.420 nan 0.000 0.232 297 P C 0.819 177.897 177.300 -0.369 0.000 1.814 297 P CA -0.113 62.841 63.100 -0.243 0.000 1.085 297 P CB 0.553 32.164 31.700 -0.148 0.000 1.901 298 G N 2.275 110.963 108.800 -0.187 0.000 2.442 298 G HA2 0.081 4.041 3.960 -0.000 0.000 0.219 298 G HA3 0.081 4.041 3.960 -0.000 0.000 0.219 298 G C 0.688 175.546 174.900 -0.069 0.000 1.141 298 G CA 0.677 45.772 45.100 -0.008 0.000 0.763 298 G HN 0.676 nan 8.290 nan 0.000 0.554 299 G N -1.872 106.890 108.800 -0.064 0.000 2.547 299 G HA2 0.502 4.462 3.960 -0.000 0.000 0.291 299 G HA3 0.502 4.462 3.960 -0.000 0.000 0.291 299 G C -2.208 172.654 174.900 -0.063 0.000 1.471 299 G CA 0.015 45.066 45.100 -0.083 0.000 0.798 299 G HN -0.138 nan 8.290 nan 0.000 0.504 300 P HA -0.070 nan 4.420 nan 0.000 0.218 300 P C 1.863 179.135 177.300 -0.046 0.000 1.149 300 P CA 1.696 64.764 63.100 -0.053 0.000 0.817 300 P CB 0.238 31.904 31.700 -0.057 0.000 0.785 301 A N 0.228 123.021 122.820 -0.046 0.000 1.933 301 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 301 A C 2.365 179.917 177.584 -0.052 0.000 1.175 301 A CA 1.300 53.311 52.037 -0.044 0.000 0.628 301 A CB -1.481 17.497 19.000 -0.037 0.000 0.814 301 A HN 0.136 nan 8.150 nan 0.000 0.444 302 I N -0.331 120.207 120.570 -0.053 0.000 2.252 302 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 302 I C 2.290 178.369 176.117 -0.063 0.000 1.102 302 I CA 0.997 62.251 61.300 -0.077 0.000 1.385 302 I CB -0.343 37.614 38.000 -0.072 0.000 1.064 302 I HN 0.288 nan 8.210 nan 0.000 0.414 303 L N 0.157 121.361 121.223 -0.032 0.000 2.056 303 L HA -0.208 4.131 4.340 -0.000 0.000 0.207 303 L C 2.132 178.968 176.870 -0.057 0.000 1.078 303 L CA 1.183 56.008 54.840 -0.025 0.000 0.749 303 L CB -0.714 41.337 42.059 -0.013 0.000 0.901 303 L HN 0.237 nan 8.230 nan 0.000 0.433 304 D N -0.211 120.156 120.400 -0.055 0.000 2.117 304 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 304 D C 2.357 178.617 176.300 -0.067 0.000 0.982 304 D CA 1.092 55.057 54.000 -0.058 0.000 0.828 304 D CB -0.081 40.691 40.800 -0.047 0.000 0.967 304 D HN 0.369 nan 8.370 nan 0.000 0.464 305 Q N 0.099 119.857 119.800 -0.071 0.000 2.123 305 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 305 Q C 2.367 178.312 176.000 -0.092 0.000 0.966 305 Q CA 0.643 56.400 55.803 -0.076 0.000 0.845 305 Q CB 0.140 28.831 28.738 -0.080 0.000 0.907 305 Q HN 0.157 nan 8.270 nan 0.000 0.439 306 V N 0.647 120.495 119.914 -0.111 0.000 2.343 306 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 306 V C 2.190 178.190 176.094 -0.156 0.000 1.051 306 V CA 2.103 64.326 62.300 -0.129 0.000 1.036 306 V CB -0.744 31.012 31.823 -0.110 0.000 0.654 306 V HN 0.419 nan 8.190 nan 0.000 0.451 307 T N 0.385 114.844 114.554 -0.159 0.000 2.708 307 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 307 T C 2.058 176.690 174.700 -0.113 0.000 1.037 307 T CA 1.743 63.737 62.100 -0.176 0.000 1.146 307 T CB -0.424 68.360 68.868 -0.140 0.000 0.865 307 T HN 0.575 nan 8.240 nan 0.000 0.435 308 A N 1.790 124.562 122.820 -0.080 0.000 1.855 308 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 308 A C 2.257 179.821 177.584 -0.033 0.000 1.191 308 A CA 1.470 53.477 52.037 -0.050 0.000 0.613 308 A CB -0.386 18.588 19.000 -0.043 0.000 0.829 308 A HN 0.455 nan 8.150 nan 0.000 0.442 309 K N -0.473 119.905 120.400 -0.037 0.000 2.155 309 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 309 K C 1.693 178.308 176.600 0.024 0.000 1.052 309 K CA 1.278 57.558 56.287 -0.012 0.000 0.948 309 K CB -0.202 32.281 32.500 -0.028 0.000 0.728 309 K HN 0.312 nan 8.250 nan 0.000 0.448 310 V N 0.213 120.133 119.914 0.010 0.000 2.951 310 V HA 0.007 4.127 4.120 -0.000 0.000 0.255 310 V C 1.188 177.368 176.094 0.144 0.000 1.088 310 V CA 1.186 63.544 62.300 0.096 0.000 1.109 310 V CB -0.222 31.611 31.823 0.017 0.000 0.724 310 V HN 0.630 nan 8.190 nan 0.000 0.471 311 G N 0.731 109.554 108.800 0.038 0.000 2.204 311 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.244 311 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.244 311 G C -0.100 174.802 174.900 0.004 0.000 1.062 311 G CA -0.020 45.099 45.100 0.031 0.000 0.798 311 G HN 0.417 nan 8.290 nan 0.000 0.496 312 L N 0.034 121.210 121.223 -0.077 0.000 2.395 312 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 312 L C 1.137 177.949 176.870 -0.097 0.000 1.133 312 L CA -0.639 54.118 54.840 -0.139 0.000 0.812 312 L CB 0.579 42.417 42.059 -0.369 0.000 1.125 312 L HN 0.277 nan 8.230 nan 0.000 0.452 313 E N 1.156 121.316 120.200 -0.067 0.000 2.418 313 E HA -0.082 4.268 4.350 -0.000 0.000 0.261 313 E C 0.471 177.038 176.600 -0.055 0.000 1.070 313 E CA -0.247 56.130 56.400 -0.038 0.000 0.931 313 E CB 0.765 30.460 29.700 -0.008 0.000 0.954 313 E HN 0.288 nan 8.360 nan 0.000 0.439 314 K N 1.691 122.070 120.400 -0.036 0.000 2.160 314 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 314 K C 0.936 177.519 176.600 -0.028 0.000 1.047 314 K CA 1.589 57.855 56.287 -0.035 0.000 0.930 314 K CB 0.169 32.656 32.500 -0.021 0.000 0.720 314 K HN 0.353 nan 8.250 nan 0.000 0.450 315 E N -0.201 119.991 120.200 -0.012 0.000 2.474 315 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 315 E C 1.195 177.805 176.600 0.016 0.000 1.039 315 E CA 0.007 56.411 56.400 0.007 0.000 0.881 315 E CB 0.304 30.018 29.700 0.024 0.000 0.970 315 E HN 0.145 nan 8.360 nan 0.000 0.486 316 K N 0.479 120.866 120.400 -0.021 0.000 2.063 316 K HA -0.039 4.280 4.320 -0.000 0.000 0.208 316 K C 1.519 178.131 176.600 0.020 0.000 1.048 316 K CA 0.829 57.102 56.287 -0.024 0.000 0.928 316 K CB -0.082 32.299 32.500 -0.198 0.000 0.713 316 K HN 0.223 nan 8.250 nan 0.000 0.442 317 L N 0.972 122.182 121.223 -0.021 0.000 2.783 317 L HA 0.147 4.487 4.340 -0.000 0.000 0.236 317 L C 1.880 178.785 176.870 0.058 0.000 1.225 317 L CA -0.166 54.699 54.840 0.041 0.000 1.026 317 L CB 0.053 42.111 42.059 -0.003 0.000 1.314 317 L HN 0.077 nan 8.230 nan 0.000 0.489 318 K N 0.746 121.182 120.400 0.061 0.000 2.020 318 K HA -0.173 4.147 4.320 -0.000 0.000 0.212 318 K C 1.896 178.543 176.600 0.078 0.000 1.050 318 K CA 1.736 58.058 56.287 0.059 0.000 0.929 318 K CB 0.064 32.600 32.500 0.060 0.000 0.714 318 K HN 0.191 nan 8.250 nan 0.000 0.443 319 V N 0.820 120.796 119.914 0.103 0.000 2.343 319 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 319 V C 2.234 178.397 176.094 0.114 0.000 1.051 319 V CA 2.274 64.643 62.300 0.115 0.000 1.036 319 V CB -0.686 31.216 31.823 0.132 0.000 0.654 319 V HN 0.476 nan 8.190 nan 0.000 0.451 320 T N -0.197 114.425 114.554 0.114 0.000 2.684 320 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 320 T C 2.072 176.813 174.700 0.069 0.000 1.036 320 T CA 1.666 63.825 62.100 0.098 0.000 1.148 320 T CB -0.256 68.680 68.868 0.112 0.000 0.863 320 T HN 0.437 nan 8.240 nan 0.000 0.436 321 R N 0.536 121.069 120.500 0.056 0.000 2.115 321 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 321 R C 2.636 178.962 176.300 0.043 0.000 1.111 321 R CA 1.074 57.194 56.100 0.033 0.000 0.976 321 R CB -0.219 30.093 30.300 0.020 0.000 0.870 321 R HN 0.264 nan 8.270 nan 0.000 0.445 322 Q N 0.762 120.602 119.800 0.067 0.000 2.119 322 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 322 Q C 1.901 177.972 176.000 0.118 0.000 0.972 322 Q CA 1.473 57.324 55.803 0.080 0.000 0.847 322 Q CB -0.058 28.737 28.738 0.095 0.000 0.903 322 Q HN 0.115 nan 8.270 nan 0.000 0.433 323 V N 0.380 120.387 119.914 0.155 0.000 2.358 323 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 323 V C 2.193 178.395 176.094 0.179 0.000 1.047 323 V CA 1.470 63.919 62.300 0.247 0.000 1.035 323 V CB -0.654 31.282 31.823 0.190 0.000 0.658 323 V HN 0.415 nan 8.190 nan 0.000 0.452 324 L N 0.630 121.894 121.223 0.069 0.000 2.042 324 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 324 L C 2.413 179.277 176.870 -0.010 0.000 1.076 324 L CA 2.293 57.136 54.840 0.005 0.000 0.749 324 L CB -0.778 41.263 42.059 -0.032 0.000 0.893 324 L HN 0.292 nan 8.230 nan 0.000 0.432 325 K N -0.984 119.414 120.400 -0.004 0.000 2.057 325 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 325 K C 1.478 178.029 176.600 -0.082 0.000 1.049 325 K CA 1.790 58.055 56.287 -0.037 0.000 0.931 325 K CB -0.111 32.379 32.500 -0.017 0.000 0.714 325 K HN 0.383 nan 8.250 nan 0.000 0.440 326 D N -1.100 119.253 120.400 -0.078 0.000 2.289 326 D HA -0.053 4.587 4.640 -0.000 0.000 0.207 326 D C 0.627 176.620 176.300 -0.511 0.000 0.966 326 D CA 0.968 54.792 54.000 -0.294 0.000 0.868 326 D CB 0.310 40.901 40.800 -0.348 0.000 0.943 326 D HN 0.363 nan 8.370 nan 0.000 0.514 327 Y N -0.827 119.456 120.300 -0.029 0.000 2.515 327 Y HA 0.350 4.900 4.550 -0.000 0.000 0.267 327 Y C 1.399 177.234 175.900 -0.107 0.000 1.058 327 Y CA 0.041 58.117 58.100 -0.040 0.000 1.231 327 Y CB 0.934 39.293 38.460 -0.168 0.000 1.350 327 Y HN -0.039 nan 8.280 nan 0.000 0.554 328 G N 1.646 110.452 108.800 0.010 0.000 2.681 328 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 328 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 328 G C -0.736 174.138 174.900 -0.045 0.000 1.353 328 G CA -0.406 44.658 45.100 -0.061 0.000 0.872 328 G HN 0.254 nan 8.290 nan 0.000 0.557 329 N N 0.543 119.211 118.700 -0.053 0.000 2.406 329 N HA 0.407 5.147 4.740 -0.000 0.000 0.251 329 N C 0.924 176.531 175.510 0.162 0.000 1.069 329 N CA -0.183 52.882 53.050 0.024 0.000 0.947 329 N CB 0.257 38.733 38.487 -0.018 0.000 1.111 329 N HN 0.481 nan 8.380 nan 0.000 0.497 330 M N 2.310 121.957 119.600 0.078 0.000 2.738 330 M HA 0.109 4.588 4.480 -0.000 0.000 0.295 330 M C 0.611 176.960 176.300 0.082 0.000 1.266 330 M CA -0.342 54.980 55.300 0.036 0.000 0.985 330 M CB -0.227 32.282 32.600 -0.152 0.000 1.365 330 M HN 0.482 nan 8.290 nan 0.000 0.492 331 S N 0.558 116.375 115.700 0.195 0.000 3.736 331 S HA -0.269 4.201 4.470 -0.000 0.000 0.627 331 S C 1.395 175.994 174.600 -0.002 0.000 2.426 331 S CA 1.588 59.836 58.200 0.080 0.000 4.022 331 S CB -1.183 61.952 63.200 -0.108 0.000 0.237 331 S HN 0.772 nan 8.310 nan 0.000 0.967 332 S N 1.698 117.335 115.700 -0.106 0.000 2.419 332 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 332 S C 1.781 176.425 174.600 0.073 0.000 1.019 332 S CA 1.565 59.710 58.200 -0.092 0.000 0.982 332 S CB -0.747 62.390 63.200 -0.105 0.000 0.789 332 S HN 1.321 nan 8.310 nan 0.000 0.490 333 A N 1.625 124.535 122.820 0.151 0.000 2.016 333 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 333 A C 2.315 180.112 177.584 0.355 0.000 1.162 333 A CA 1.510 53.751 52.037 0.340 0.000 0.662 333 A CB -1.441 17.752 19.000 0.322 0.000 0.812 333 A HN 0.584 nan 8.150 nan 0.000 0.450 334 T N 0.762 115.416 114.554 0.167 0.000 2.653 334 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 334 T C 1.940 176.700 174.700 0.101 0.000 1.035 334 T CA 2.327 64.491 62.100 0.108 0.000 1.154 334 T CB -1.183 67.754 68.868 0.116 0.000 0.862 334 T HN 0.747 nan 8.240 nan 0.000 0.441 335 V N -0.658 119.218 119.914 -0.064 0.000 2.568 335 V HA -0.106 4.014 4.120 -0.000 0.000 0.253 335 V C 2.062 177.992 176.094 -0.273 0.000 1.072 335 V CA 1.493 63.653 62.300 -0.233 0.000 1.084 335 V CB -1.476 30.078 31.823 -0.448 0.000 0.676 335 V HN 0.443 nan 8.190 nan 0.000 0.469 336 F N -0.667 119.340 119.950 0.095 0.000 2.367 336 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 336 F C 2.086 177.898 175.800 0.019 0.000 1.094 336 F CA 1.230 59.250 58.000 0.033 0.000 1.409 336 F CB -0.469 38.522 39.000 -0.016 0.000 1.064 336 F HN 0.079 nan 8.300 nan 0.000 0.528 337 F N 0.368 120.352 119.950 0.057 0.000 2.146 337 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 337 F C 2.221 178.024 175.800 0.005 0.000 1.096 337 F CA 1.194 59.168 58.000 -0.043 0.000 1.275 337 F CB -0.483 38.393 39.000 -0.206 0.000 1.008 337 F HN -0.123 nan 8.300 nan 0.000 0.480 338 I N -0.648 120.044 120.570 0.202 0.000 2.252 338 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 338 I C 2.522 178.710 176.117 0.118 0.000 1.102 338 I CA 1.262 62.645 61.300 0.139 0.000 1.385 338 I CB -0.415 37.640 38.000 0.091 0.000 1.064 338 I HN 0.182 nan 8.210 nan 0.000 0.414 339 M N 0.654 120.308 119.600 0.091 0.000 2.108 339 M HA -0.275 4.205 4.480 -0.000 0.000 0.261 339 M C 1.961 178.386 176.300 0.209 0.000 1.066 339 M CA 2.060 57.429 55.300 0.115 0.000 1.107 339 M CB -0.235 32.436 32.600 0.117 0.000 1.356 339 M HN 0.160 nan 8.290 nan 0.000 0.406 340 D N 0.083 120.570 120.400 0.146 0.000 2.084 340 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 340 D C 1.823 178.181 176.300 0.098 0.000 0.990 340 D CA 1.696 55.751 54.000 0.092 0.000 0.826 340 D CB -0.146 40.646 40.800 -0.013 0.000 0.971 340 D HN 0.410 nan 8.370 nan 0.000 0.453 341 E N -0.205 120.063 120.200 0.113 0.000 2.150 341 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 341 E C 2.211 178.881 176.600 0.116 0.000 0.985 341 E CA 0.747 57.219 56.400 0.120 0.000 0.814 341 E CB -0.406 29.387 29.700 0.155 0.000 0.752 341 E HN 0.388 nan 8.360 nan 0.000 0.466 342 M N 0.308 119.991 119.600 0.138 0.000 2.086 342 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 342 M C 1.942 178.309 176.300 0.112 0.000 1.067 342 M CA 2.167 57.551 55.300 0.139 0.000 1.116 342 M CB -0.090 32.615 32.600 0.175 0.000 1.348 342 M HN 0.072 nan 8.290 nan 0.000 0.407 343 R N 0.208 120.783 120.500 0.125 0.000 2.148 343 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 343 R C 1.989 178.291 176.300 0.004 0.000 1.088 343 R CA 1.688 57.799 56.100 0.018 0.000 0.985 343 R CB -0.974 29.293 30.300 -0.054 0.000 0.880 343 R HN 0.404 nan 8.270 nan 0.000 0.451 344 K N 0.871 121.291 120.400 0.034 0.000 2.025 344 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 344 K C 1.578 178.195 176.600 0.028 0.000 1.049 344 K CA 1.114 57.417 56.287 0.027 0.000 0.933 344 K CB 0.075 32.600 32.500 0.043 0.000 0.714 344 K HN -0.015 nan 8.250 nan 0.000 0.438 345 K N 0.599 121.026 120.400 0.045 0.000 2.097 345 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 345 K C 2.210 178.826 176.600 0.027 0.000 1.049 345 K CA 1.249 57.562 56.287 0.043 0.000 0.933 345 K CB -0.216 32.320 32.500 0.060 0.000 0.717 345 K HN 0.116 nan 8.250 nan 0.000 0.442 346 S N 1.644 117.355 115.700 0.018 0.000 2.368 346 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 346 S C 1.868 176.460 174.600 -0.013 0.000 1.030 346 S CA 0.900 59.099 58.200 -0.003 0.000 0.999 346 S CB -0.204 62.978 63.200 -0.031 0.000 0.844 346 S HN 0.182 nan 8.310 nan 0.000 0.459 347 L N 2.033 123.246 121.223 -0.018 0.000 2.056 347 L HA -0.025 4.314 4.340 -0.000 0.000 0.207 347 L C 2.016 178.882 176.870 -0.007 0.000 1.078 347 L CA 1.789 56.617 54.840 -0.021 0.000 0.749 347 L CB -0.642 41.403 42.059 -0.024 0.000 0.901 347 L HN 0.225 nan 8.230 nan 0.000 0.433 348 E N -0.568 119.634 120.200 0.003 0.000 2.204 348 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 348 E C 1.181 177.787 176.600 0.010 0.000 0.990 348 E CA 0.958 57.363 56.400 0.009 0.000 0.821 348 E CB -0.138 29.572 29.700 0.018 0.000 0.750 348 E HN 0.535 nan 8.360 nan 0.000 0.477 349 N N -0.053 118.653 118.700 0.010 0.000 2.398 349 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 349 N C 0.607 176.121 175.510 0.006 0.000 1.122 349 N CA 0.785 53.842 53.050 0.012 0.000 0.866 349 N CB 1.009 39.508 38.487 0.018 0.000 0.970 349 N HN 0.204 nan 8.380 nan 0.000 0.462 350 G N 1.465 110.264 108.800 -0.001 0.000 2.273 350 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 350 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 350 G C -0.072 174.824 174.900 -0.008 0.000 1.047 350 G CA 0.208 45.304 45.100 -0.005 0.000 0.869 350 G HN 0.393 nan 8.290 nan 0.000 0.502 351 Q N -1.123 118.671 119.800 -0.011 0.000 2.260 351 Q HA 0.649 4.989 4.340 -0.000 0.000 0.238 351 Q C 1.614 177.597 176.000 -0.028 0.000 0.948 351 Q CA -0.127 55.668 55.803 -0.013 0.000 0.895 351 Q CB 1.074 29.807 28.738 -0.008 0.000 1.218 351 Q HN 0.514 nan 8.270 nan 0.000 0.470 352 A N 0.849 123.654 122.820 -0.025 0.000 2.168 352 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 352 A C 0.773 178.321 177.584 -0.060 0.000 1.152 352 A CA 1.405 53.421 52.037 -0.035 0.000 0.716 352 A CB -0.167 18.821 19.000 -0.020 0.000 0.794 352 A HN 0.739 nan 8.150 nan 0.000 0.465 353 T N -5.853 108.654 114.554 -0.078 0.000 2.841 353 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 353 T C 0.747 175.338 174.700 -0.182 0.000 1.166 353 T CA 0.303 62.324 62.100 -0.131 0.000 1.007 353 T CB 1.031 69.825 68.868 -0.124 0.000 1.253 353 T HN 0.291 nan 8.240 nan 0.000 0.511 354 T N -1.945 112.433 114.554 -0.294 0.000 3.051 354 T HA 0.180 4.530 4.350 -0.000 0.000 0.269 354 T C 1.440 175.961 174.700 -0.299 0.000 1.127 354 T CA 0.731 62.602 62.100 -0.380 0.000 1.107 354 T CB -0.603 67.795 68.868 -0.782 0.000 0.898 354 T HN 1.055 nan 8.240 nan 0.000 0.517 355 G N 0.989 109.547 108.800 -0.403 0.000 4.198 355 G HA2 0.433 4.393 3.960 -0.000 0.000 0.282 355 G HA3 0.433 4.393 3.960 -0.000 0.000 0.282 355 G C -0.140 174.582 174.900 -0.297 0.000 1.262 355 G CA -0.720 43.920 45.100 -0.767 0.000 1.473 355 G HN 0.499 nan 8.290 nan 0.000 0.624 356 E N -0.902 119.236 120.200 -0.103 0.000 2.586 356 E HA -0.277 4.073 4.350 -0.000 0.000 0.259 356 E C 1.550 178.165 176.600 0.025 0.000 1.107 356 E CA 0.590 56.997 56.400 0.011 0.000 0.754 356 E CB -1.336 28.422 29.700 0.096 0.000 1.335 356 E HN 1.278 nan 8.360 nan 0.000 0.411 357 G N -0.768 108.022 108.800 -0.018 0.000 2.179 357 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 357 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 357 G C 0.312 175.239 174.900 0.045 0.000 0.977 357 G CA 0.618 45.721 45.100 0.005 0.000 0.641 357 G HN 0.268 nan 8.290 nan 0.000 0.533 358 L N -0.174 121.106 121.223 0.096 0.000 2.387 358 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 358 L C 1.562 178.556 176.870 0.207 0.000 1.059 358 L CA -0.204 54.757 54.840 0.202 0.000 0.801 358 L CB 1.263 43.537 42.059 0.358 0.000 1.223 358 L HN 0.272 nan 8.230 nan 0.000 0.456 359 E N 0.893 121.202 120.200 0.181 0.000 2.075 359 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 359 E C -0.424 176.169 176.600 -0.011 0.000 0.969 359 E CA 0.392 56.781 56.400 -0.019 0.000 0.815 359 E CB 0.208 29.783 29.700 -0.207 0.000 0.776 359 E HN 0.493 nan 8.360 nan 0.000 0.457 360 W N -0.189 121.278 121.300 0.279 0.000 2.570 360 W HA 0.632 5.292 4.660 -0.000 0.000 0.337 360 W C 0.288 176.614 176.519 -0.323 0.000 1.067 360 W CA -0.423 56.994 57.345 0.119 0.000 1.229 360 W CB 1.757 31.273 29.460 0.092 0.000 1.355 360 W HN 0.092 nan 8.180 nan 0.000 0.555 361 G N -0.034 108.426 108.800 -0.566 0.000 2.727 361 G HA2 0.630 4.590 3.960 -0.000 0.000 0.289 361 G HA3 0.630 4.590 3.960 -0.000 0.000 0.289 361 G C -2.182 172.307 174.900 -0.685 0.000 1.418 361 G CA -0.835 43.350 45.100 -1.526 0.000 0.818 361 G HN 0.549 nan 8.290 nan 0.000 0.486 362 V N -0.164 119.281 119.914 -0.783 0.000 2.888 362 V HA 0.801 4.921 4.120 -0.000 0.000 0.309 362 V C -1.432 174.253 176.094 -0.682 0.000 1.114 362 V CA -0.855 61.041 62.300 -0.673 0.000 0.940 362 V CB 1.766 33.105 31.823 -0.806 0.000 1.021 362 V HN 0.913 nan 8.190 nan 0.000 0.426 363 L N 6.135 126.964 121.223 -0.658 0.000 2.341 363 L HA 0.735 5.075 4.340 -0.000 0.000 0.278 363 L C -1.737 174.752 176.870 -0.635 0.000 1.005 363 L CA -0.278 54.266 54.840 -0.493 0.000 0.818 363 L CB 1.643 43.478 42.059 -0.373 0.000 1.259 363 L HN 0.670 nan 8.230 nan 0.000 0.418 364 F N 2.805 122.562 119.950 -0.320 0.000 2.507 364 F HA 0.684 5.210 4.527 -0.000 0.000 0.325 364 F C 0.657 176.050 175.800 -0.678 0.000 1.116 364 F CA -0.668 57.052 58.000 -0.467 0.000 0.930 364 F CB 2.257 40.977 39.000 -0.467 0.000 1.146 364 F HN 0.509 nan 8.300 nan 0.000 0.447 365 G N 3.035 111.604 108.800 -0.386 0.000 2.470 365 G HA2 0.672 4.632 3.960 -0.000 0.000 0.320 365 G HA3 0.672 4.632 3.960 -0.000 0.000 0.320 365 G C -1.794 172.918 174.900 -0.312 0.000 1.245 365 G CA -0.367 44.512 45.100 -0.368 0.000 0.935 365 G HN 0.329 nan 8.290 nan 0.000 0.476 366 F N 0.699 120.726 119.950 0.128 0.000 2.551 366 F HA 0.876 5.403 4.527 -0.000 0.000 0.316 366 F C 0.665 176.566 175.800 0.167 0.000 1.089 366 F CA -0.848 57.247 58.000 0.158 0.000 0.915 366 F CB 2.523 41.631 39.000 0.181 0.000 1.186 366 F HN 0.838 nan 8.300 nan 0.000 0.456 367 G N 1.029 110.093 108.800 0.439 0.000 2.490 367 G HA2 0.520 4.480 3.960 -0.000 0.000 0.308 367 G HA3 0.520 4.480 3.960 -0.000 0.000 0.308 367 G C -3.388 171.723 174.900 0.352 0.000 1.286 367 G CA -1.317 44.034 45.100 0.418 0.000 0.825 367 G HN 0.243 nan 8.290 nan 0.000 0.479 368 P HA 0.297 nan 4.420 nan 0.000 0.261 368 P C 0.773 178.159 177.300 0.143 0.000 1.173 368 P CA 1.983 65.203 63.100 0.199 0.000 0.760 368 P CB 0.998 32.818 31.700 0.198 0.000 0.783 369 G N 2.936 111.763 108.800 0.046 0.000 4.399 369 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.158 369 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.158 369 G C -0.238 174.663 174.900 0.002 0.000 1.911 369 G CA -0.453 44.653 45.100 0.010 0.000 0.926 369 G HN 0.439 nan 8.290 nan 0.000 0.292 370 I N 3.028 123.594 120.570 -0.006 0.000 2.533 370 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 370 I C 0.106 176.218 176.117 -0.008 0.000 1.109 370 I CA 0.371 61.677 61.300 0.010 0.000 1.412 370 I CB 1.321 39.324 38.000 0.006 0.000 1.396 370 I HN 0.111 nan 8.210 nan 0.000 0.543 371 T N 6.129 120.666 114.554 -0.028 0.000 2.829 371 T HA 0.483 4.833 4.350 -0.000 0.000 0.282 371 T C -0.260 174.428 174.700 -0.021 0.000 0.990 371 T CA -0.443 61.558 62.100 -0.165 0.000 1.028 371 T CB 1.755 70.242 68.868 -0.635 0.000 0.951 371 T HN 0.218 nan 8.240 nan 0.000 0.460 372 V N 3.615 123.531 119.914 0.003 0.000 2.531 372 V HA 0.391 4.510 4.120 -0.000 0.000 0.301 372 V C -0.271 175.859 176.094 0.059 0.000 1.034 372 V CA -0.878 61.523 62.300 0.169 0.000 0.865 372 V CB 1.871 33.844 31.823 0.250 0.000 0.995 372 V HN 0.789 nan 8.190 nan 0.000 0.424 373 E N 2.521 122.751 120.200 0.049 0.000 2.156 373 E HA 0.479 4.828 4.350 -0.000 0.000 0.279 373 E C -0.728 175.841 176.600 -0.052 0.000 0.965 373 E CA -0.336 56.042 56.400 -0.037 0.000 0.789 373 E CB 2.162 31.829 29.700 -0.055 0.000 1.098 373 E HN 0.613 nan 8.360 nan 0.000 0.397 374 T N 2.020 116.496 114.554 -0.130 0.000 2.791 374 T HA 0.361 4.710 4.350 -0.000 0.000 0.288 374 T C -0.268 174.202 174.700 -0.383 0.000 0.999 374 T CA -0.513 61.383 62.100 -0.341 0.000 0.952 374 T CB 1.093 69.820 68.868 -0.236 0.000 0.938 374 T HN 0.076 nan 8.240 nan 0.000 0.444 375 V N 4.200 123.827 119.914 -0.479 0.000 2.409 375 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 375 V C 0.089 175.940 176.094 -0.406 0.000 1.020 375 V CA -0.864 61.219 62.300 -0.363 0.000 0.848 375 V CB 1.812 33.471 31.823 -0.273 0.000 0.990 375 V HN 0.691 nan 8.190 nan 0.000 0.430 376 V N 6.997 126.698 119.914 -0.356 0.000 2.461 376 V HA 0.409 4.528 4.120 -0.000 0.000 0.275 376 V C 0.076 176.106 176.094 -0.107 0.000 1.047 376 V CA -0.064 62.048 62.300 -0.313 0.000 0.955 376 V CB 1.163 32.731 31.823 -0.425 0.000 0.988 376 V HN 0.614 nan 8.190 nan 0.000 0.471 377 L N 5.172 126.364 121.223 -0.051 0.000 2.319 377 L HA 0.732 5.072 4.340 -0.000 0.000 0.267 377 L C -0.107 176.901 176.870 0.230 0.000 1.011 377 L CA -0.839 54.041 54.840 0.066 0.000 0.818 377 L CB 2.025 44.083 42.059 -0.003 0.000 1.316 377 L HN 0.513 nan 8.230 nan 0.000 0.432 378 R N 0.431 121.101 120.500 0.283 0.000 2.575 378 R HA 0.453 4.793 4.340 -0.000 0.000 0.293 378 R C -0.430 176.068 176.300 0.330 0.000 0.983 378 R CA -0.360 55.825 56.100 0.143 0.000 0.887 378 R CB 2.000 32.209 30.300 -0.152 0.000 1.184 378 R HN 0.867 nan 8.270 nan 0.000 0.445 379 S N 1.949 117.843 115.700 0.323 0.000 2.641 379 S HA 0.446 4.916 4.470 -0.000 0.000 0.261 379 S C 0.248 174.791 174.600 -0.096 0.000 1.257 379 S CA -0.564 57.692 58.200 0.092 0.000 0.983 379 S CB 1.215 64.358 63.200 -0.095 0.000 0.990 379 S HN 0.443 nan 8.310 nan 0.000 0.572 380 V N -3.345 116.434 119.914 -0.226 0.000 2.823 380 V HA 0.691 4.811 4.120 -0.000 0.000 0.312 380 V C -3.166 172.827 176.094 -0.168 0.000 1.072 380 V CA -2.962 59.231 62.300 -0.180 0.000 0.937 380 V CB 0.856 32.565 31.823 -0.191 0.000 1.013 380 V HN 0.719 nan 8.190 nan 0.000 0.430 381 P HA 0.296 nan 4.420 nan 0.000 0.267 381 P C -0.829 176.410 177.300 -0.101 0.000 1.200 381 P CA 0.121 63.163 63.100 -0.097 0.000 0.772 381 P CB 0.786 32.444 31.700 -0.070 0.000 0.855 382 V N 4.710 124.571 119.914 -0.089 0.000 2.531 382 V HA 0.299 4.419 4.120 -0.000 0.000 0.301 382 V C 0.728 176.788 176.094 -0.056 0.000 1.034 382 V CA -0.680 61.571 62.300 -0.082 0.000 0.865 382 V CB 1.540 33.307 31.823 -0.093 0.000 0.995 382 V HN 0.459 nan 8.190 nan 0.000 0.424 383 I N 0.000 120.541 120.570 -0.048 0.000 2.984 383 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 383 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 383 I CB 0.000 37.981 38.000 -0.031 0.000 1.214 383 I HN 0.000 nan 8.210 nan 0.000 0.494