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 3obk_1_B DATA FIRST_RESID 5 DATA SEQUENCE GPLDNNNYGE VWLPIQARPR RNRKNRAVRQ LVQENLVKPS SLIYPLFVHD DATA SEQUENCE EETSVPIPSM PGQSRLSMED LLKEVGEARS YGIKAFMLFP KVDDELKSVM DATA SEQUENCE AEESYNPDGL LPRAIMALKE AFPDVLLLAD VALDPYSSMG HDGVVDEQSG DATA SEQUENCE KIVNDLTVHQ LCKQAITLAR AGADMVCPSD MMDGRVSAIR ESLDMEGCTD DATA SEQUENCE TSILAYSCKY ASSFYGPFRD ALDSHMVGGT DKKTYQMDPS NSREAEREAE DATA SEQUENCE ADASEGADML MVKPGLPYLD VLAKIREKSK LPMVAYHVSG EYAMLKAAAE DATA SEQUENCE KGYISEKDTV LEVLKSFRRA GADAVATYYA KEAAKWMVED MKGTQKFTEP DATA SEQUENCE CY 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.869 174.900 -0.052 0.000 0.946 5 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 6 P HA 0.262 nan 4.420 nan 0.000 0.235 6 P C 0.379 177.611 177.300 -0.112 0.000 1.177 6 P CA 0.163 63.214 63.100 -0.083 0.000 0.785 6 P CB 0.467 32.125 31.700 -0.070 0.000 0.885 7 L N 0.596 121.768 121.223 -0.084 0.000 2.326 7 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 7 L C 0.601 177.421 176.870 -0.083 0.000 1.092 7 L CA -0.322 54.465 54.840 -0.087 0.000 0.810 7 L CB 0.748 42.786 42.059 -0.035 0.000 1.153 7 L HN -0.053 nan 8.230 nan 0.000 0.439 8 D N 1.392 121.725 120.400 -0.111 0.000 2.650 8 D HA 0.416 5.056 4.640 -0.000 0.000 0.255 8 D C -1.051 175.319 176.300 0.116 0.000 1.135 8 D CA -0.567 53.405 54.000 -0.046 0.000 1.099 8 D CB 1.639 42.322 40.800 -0.195 0.000 1.273 8 D HN 0.470 nan 8.370 nan 0.000 0.628 9 N N 0.099 118.929 118.700 0.217 0.000 2.238 9 N HA 0.296 5.036 4.740 -0.000 0.000 0.302 9 N C -0.622 175.101 175.510 0.356 0.000 1.072 9 N CA -0.816 52.386 53.050 0.254 0.000 0.792 9 N CB 1.560 40.128 38.487 0.135 0.000 1.425 9 N HN 0.349 nan 8.380 nan 0.000 0.478 10 N N 0.430 119.271 118.700 0.236 0.000 2.418 10 N HA 0.195 4.935 4.740 -0.000 0.000 0.283 10 N C 0.187 175.647 175.510 -0.084 0.000 1.267 10 N CA -0.345 52.696 53.050 -0.015 0.000 0.975 10 N CB 0.212 38.565 38.487 -0.223 0.000 1.167 10 N HN 0.314 nan 8.380 nan 0.000 0.581 11 N N -1.362 117.185 118.700 -0.254 0.000 2.519 11 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 11 N C -0.086 175.071 175.510 -0.588 0.000 1.062 11 N CA 0.922 53.719 53.050 -0.421 0.000 0.910 11 N CB -0.350 37.781 38.487 -0.593 0.000 0.958 11 N HN 0.535 nan 8.380 nan 0.000 0.445 12 Y N -1.523 118.750 120.300 -0.045 0.000 2.531 12 Y HA 0.370 4.920 4.550 -0.000 0.000 0.249 12 Y C 1.693 177.589 175.900 -0.006 0.000 1.168 12 Y CA -0.034 58.050 58.100 -0.026 0.000 1.226 12 Y CB 0.415 38.854 38.460 -0.036 0.000 1.177 12 Y HN 0.032 nan 8.280 nan 0.000 0.527 13 G N 0.035 108.889 108.800 0.090 0.000 2.195 13 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 13 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 13 G C 0.179 175.136 174.900 0.094 0.000 0.984 13 G CA -0.043 45.105 45.100 0.081 0.000 0.633 13 G HN 0.387 nan 8.290 nan 0.000 0.525 14 E N 0.125 120.393 120.200 0.112 0.000 2.404 14 E HA 0.417 4.767 4.350 -0.000 0.000 0.261 14 E C 0.732 177.415 176.600 0.139 0.000 1.074 14 E CA -0.339 56.124 56.400 0.106 0.000 0.917 14 E CB 1.337 31.093 29.700 0.094 0.000 0.965 14 E HN 0.142 nan 8.360 nan 0.000 0.433 15 V N 2.697 122.686 119.914 0.125 0.000 2.599 15 V HA -0.046 4.074 4.120 -0.000 0.000 0.300 15 V C -0.602 175.635 176.094 0.239 0.000 1.034 15 V CA 0.431 62.817 62.300 0.144 0.000 1.115 15 V CB -0.162 31.716 31.823 0.091 0.000 0.934 15 V HN 0.589 nan 8.190 nan 0.000 0.485 16 W N 7.386 128.694 121.300 0.014 0.000 2.884 16 W HA 0.571 5.231 4.660 -0.000 0.000 0.336 16 W C -1.576 174.948 176.519 0.007 0.000 1.038 16 W CA -1.637 55.716 57.345 0.013 0.000 1.247 16 W CB 1.485 30.954 29.460 0.015 0.000 1.351 16 W HN 0.436 nan 8.180 nan 0.000 0.446 17 L N 10.049 131.220 121.223 -0.085 0.000 2.261 17 L HA 0.572 4.912 4.340 -0.000 0.000 0.289 17 L C -2.006 174.551 176.870 -0.523 0.000 1.059 17 L CA -2.234 52.439 54.840 -0.279 0.000 0.816 17 L CB 0.945 42.957 42.059 -0.078 0.000 1.191 17 L HN 0.269 nan 8.230 nan 0.000 0.431 18 P HA 0.179 nan 4.420 nan 0.000 0.246 18 P C -0.057 177.101 177.300 -0.237 0.000 1.686 18 P CA 0.158 62.779 63.100 -0.799 0.000 0.867 18 P CB -0.309 30.821 31.700 -0.949 0.000 1.733 19 I N -0.280 120.230 120.570 -0.100 0.000 2.519 19 I HA 0.038 4.208 4.170 -0.000 0.000 0.287 19 I C 1.386 177.537 176.117 0.057 0.000 1.047 19 I CA -0.163 61.125 61.300 -0.020 0.000 1.381 19 I CB 1.245 39.236 38.000 -0.015 0.000 1.417 19 I HN -0.003 nan 8.210 nan 0.000 0.540 20 Q N 5.308 125.135 119.800 0.045 0.000 2.036 20 Q HA 0.130 4.470 4.340 -0.000 0.000 0.195 20 Q C 0.584 176.615 176.000 0.053 0.000 0.971 20 Q CA 0.811 56.652 55.803 0.064 0.000 0.826 20 Q CB -0.093 28.673 28.738 0.046 0.000 0.896 20 Q HN 0.797 nan 8.270 nan 0.000 0.449 21 A N 1.598 124.438 122.820 0.033 0.000 2.409 21 A HA 0.277 4.596 4.320 -0.000 0.000 0.267 21 A C -0.351 177.250 177.584 0.029 0.000 1.127 21 A CA 0.108 52.161 52.037 0.027 0.000 0.795 21 A CB 0.143 19.153 19.000 0.016 0.000 1.061 21 A HN 0.201 nan 8.150 nan 0.000 0.502 22 R N 3.326 123.844 120.500 0.030 0.000 2.487 22 R HA 0.247 4.586 4.340 -0.000 0.000 0.288 22 R C -2.295 174.018 176.300 0.021 0.000 1.394 22 R CA -1.420 54.698 56.100 0.030 0.000 1.155 22 R CB 1.429 31.754 30.300 0.042 0.000 1.156 22 R HN 0.465 nan 8.270 nan 0.000 0.553 23 P HA -0.137 nan 4.420 nan 0.000 0.219 23 P C 0.812 178.117 177.300 0.009 0.000 1.146 23 P CA 0.990 64.096 63.100 0.009 0.000 0.808 23 P CB 0.256 31.959 31.700 0.005 0.000 0.779 24 R N -0.513 119.993 120.500 0.011 0.000 2.159 24 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 24 R C 2.285 178.591 176.300 0.010 0.000 1.131 24 R CA 1.006 57.112 56.100 0.010 0.000 0.982 24 R CB -0.349 29.958 30.300 0.012 0.000 0.868 24 R HN 0.263 nan 8.270 nan 0.000 0.453 25 R N 0.269 120.777 120.500 0.013 0.000 2.120 25 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 25 R C 1.102 177.407 176.300 0.008 0.000 1.123 25 R CA 0.960 57.067 56.100 0.012 0.000 0.975 25 R CB -0.134 30.175 30.300 0.015 0.000 0.866 25 R HN 0.194 nan 8.270 nan 0.000 0.446 26 N N 0.602 119.306 118.700 0.007 0.000 2.434 26 N HA -0.017 4.723 4.740 -0.000 0.000 0.196 26 N C 0.455 175.966 175.510 0.003 0.000 1.183 26 N CA 0.591 53.644 53.050 0.005 0.000 0.849 26 N CB 0.343 38.832 38.487 0.004 0.000 0.992 26 N HN 0.215 nan 8.380 nan 0.000 0.460 27 R N -0.734 119.767 120.500 0.003 0.000 2.535 27 R HA 0.223 4.563 4.340 -0.000 0.000 0.323 27 R C 1.357 177.658 176.300 0.001 0.000 0.979 27 R CA -0.180 55.921 56.100 0.001 0.000 1.120 27 R CB 0.555 30.855 30.300 -0.000 0.000 1.306 27 R HN -0.015 nan 8.270 nan 0.000 0.540 28 K N 1.442 121.844 120.400 0.003 0.000 2.113 28 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 28 K C 0.138 176.739 176.600 0.001 0.000 1.047 28 K CA 1.936 58.224 56.287 0.002 0.000 0.928 28 K CB 0.040 32.542 32.500 0.003 0.000 0.716 28 K HN 0.267 nan 8.250 nan 0.000 0.446 29 N N -3.482 115.219 118.700 0.001 0.000 3.116 29 N HA 0.075 4.815 4.740 -0.000 0.000 0.244 29 N C -0.116 175.396 175.510 0.003 0.000 1.485 29 N CA -0.879 52.172 53.050 0.002 0.000 0.884 29 N CB 0.638 39.126 38.487 0.001 0.000 1.415 29 N HN -0.220 nan 8.380 nan 0.000 0.524 30 R N -0.329 120.175 120.500 0.005 0.000 2.105 30 R HA -0.009 4.331 4.340 -0.000 0.000 0.239 30 R C 1.575 177.880 176.300 0.009 0.000 1.135 30 R CA 2.077 58.182 56.100 0.009 0.000 0.967 30 R CB -0.724 29.585 30.300 0.014 0.000 0.861 30 R HN 0.673 nan 8.270 nan 0.000 0.442 31 A N 0.053 122.877 122.820 0.006 0.000 1.902 31 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 31 A C 2.239 179.826 177.584 0.004 0.000 1.181 31 A CA 1.692 53.732 52.037 0.005 0.000 0.623 31 A CB -0.484 18.519 19.000 0.004 0.000 0.818 31 A HN 0.228 nan 8.150 nan 0.000 0.443 32 V N -0.055 119.862 119.914 0.004 0.000 2.379 32 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 32 V C 2.566 178.662 176.094 0.003 0.000 1.044 32 V CA 1.988 64.290 62.300 0.003 0.000 1.036 32 V CB -0.855 30.970 31.823 0.003 0.000 0.664 32 V HN 0.506 nan 8.190 nan 0.000 0.453 33 R N -0.115 120.387 120.500 0.004 0.000 2.103 33 R HA -0.237 4.103 4.340 -0.000 0.000 0.242 33 R C 2.393 178.696 176.300 0.005 0.000 1.142 33 R CA 1.870 57.972 56.100 0.004 0.000 0.960 33 R CB -0.355 29.948 30.300 0.005 0.000 0.858 33 R HN 0.610 nan 8.270 nan 0.000 0.439 34 Q N 0.309 120.112 119.800 0.006 0.000 2.123 34 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 34 Q C 2.256 178.257 176.000 0.001 0.000 0.966 34 Q CA 0.817 56.624 55.803 0.006 0.000 0.845 34 Q CB 0.019 28.762 28.738 0.008 0.000 0.907 34 Q HN 0.366 nan 8.270 nan 0.000 0.439 35 L N 0.368 121.592 121.223 0.001 0.000 2.083 35 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 35 L C 2.071 178.939 176.870 -0.003 0.000 1.083 35 L CA 1.170 56.009 54.840 -0.001 0.000 0.752 35 L CB -0.119 41.941 42.059 0.000 0.000 0.899 35 L HN 0.247 nan 8.230 nan 0.000 0.433 36 V N -3.634 116.279 119.914 -0.001 0.000 3.483 36 V HA 0.106 4.226 4.120 -0.000 0.000 0.301 36 V C 0.897 176.989 176.094 -0.003 0.000 1.389 36 V CA -0.371 61.928 62.300 -0.002 0.000 1.101 36 V CB -0.189 31.634 31.823 -0.001 0.000 0.971 36 V HN 0.305 nan 8.190 nan 0.000 0.434 37 Q N 1.322 121.120 119.800 -0.002 0.000 2.255 37 Q HA 0.049 4.389 4.340 -0.000 0.000 0.280 37 Q C 0.858 176.855 176.000 -0.005 0.000 1.068 37 Q CA 0.489 56.291 55.803 -0.002 0.000 0.911 37 Q CB 0.812 29.551 28.738 0.002 0.000 1.157 37 Q HN 0.716 nan 8.270 nan 0.000 0.380 38 E N 2.795 122.992 120.200 -0.005 0.000 2.250 38 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 38 E C -0.223 176.373 176.600 -0.006 0.000 0.986 38 E CA 0.368 56.764 56.400 -0.006 0.000 0.849 38 E CB 0.429 30.125 29.700 -0.005 0.000 0.797 38 E HN 0.519 nan 8.360 nan 0.000 0.482 39 N N 0.446 119.144 118.700 -0.002 0.000 2.225 39 N HA 0.406 5.146 4.740 -0.000 0.000 0.298 39 N C -1.225 174.289 175.510 0.006 0.000 1.076 39 N CA -0.376 52.674 53.050 0.001 0.000 0.792 39 N CB 2.401 40.892 38.487 0.006 0.000 1.498 39 N HN -0.098 nan 8.380 nan 0.000 0.474 40 L N 1.013 122.238 121.223 0.004 0.000 2.370 40 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 40 L C -0.545 176.334 176.870 0.015 0.000 1.002 40 L CA -1.072 53.774 54.840 0.010 0.000 0.818 40 L CB 2.415 44.471 42.059 -0.006 0.000 1.325 40 L HN 0.079 nan 8.230 nan 0.000 0.418 41 V N 2.065 121.997 119.914 0.030 0.000 2.513 41 V HA 0.512 4.632 4.120 -0.000 0.000 0.299 41 V C -0.339 175.770 176.094 0.025 0.000 1.035 41 V CA -0.626 61.694 62.300 0.032 0.000 0.889 41 V CB 1.806 33.663 31.823 0.057 0.000 0.988 41 V HN 0.814 nan 8.190 nan 0.000 0.440 42 K N 3.873 124.277 120.400 0.006 0.000 2.435 42 K HA 0.647 4.967 4.320 -0.000 0.000 0.251 42 K C -2.694 173.897 176.600 -0.015 0.000 0.954 42 K CA -1.843 54.444 56.287 -0.001 0.000 0.820 42 K CB 2.224 34.719 32.500 -0.008 0.000 1.292 42 K HN 0.132 nan 8.250 nan 0.000 0.436 43 P HA -0.204 nan 4.420 nan 0.000 0.216 43 P C 1.097 178.360 177.300 -0.063 0.000 1.150 43 P CA 1.459 64.538 63.100 -0.036 0.000 0.837 43 P CB 0.108 31.799 31.700 -0.016 0.000 0.786 44 S N -2.170 113.501 115.700 -0.048 0.000 2.603 44 S HA 0.025 4.495 4.470 -0.000 0.000 0.229 44 S C 1.573 176.127 174.600 -0.077 0.000 0.972 44 S CA 0.694 58.858 58.200 -0.061 0.000 0.935 44 S CB -1.042 62.138 63.200 -0.034 0.000 0.769 44 S HN -0.048 nan 8.310 nan 0.000 0.536 45 S N 0.837 116.494 115.700 -0.073 0.000 2.556 45 S HA 0.420 4.890 4.470 -0.000 0.000 0.216 45 S C 0.186 174.716 174.600 -0.117 0.000 0.970 45 S CA -0.344 57.807 58.200 -0.081 0.000 0.912 45 S CB -0.158 63.010 63.200 -0.054 0.000 0.790 45 S HN 0.479 nan 8.310 nan 0.000 0.504 46 L N 1.754 122.894 121.223 -0.138 0.000 2.317 46 L HA 0.590 4.930 4.340 -0.000 0.000 0.281 46 L C -0.618 176.108 176.870 -0.240 0.000 1.024 46 L CA -0.573 54.160 54.840 -0.178 0.000 0.810 46 L CB 1.571 43.538 42.059 -0.153 0.000 1.240 46 L HN 0.058 nan 8.230 nan 0.000 0.427 47 I N 2.572 122.981 120.570 -0.268 0.000 2.378 47 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 47 I C -1.008 174.948 176.117 -0.268 0.000 0.992 47 I CA -0.676 60.434 61.300 -0.317 0.000 1.154 47 I CB 1.573 39.384 38.000 -0.315 0.000 1.315 47 I HN 0.415 nan 8.210 nan 0.000 0.448 48 Y N 9.646 129.659 120.300 -0.478 0.000 2.367 48 Y HA 0.499 5.049 4.550 -0.000 0.000 0.342 48 Y C -2.611 173.163 175.900 -0.210 0.000 0.979 48 Y CA -3.362 54.543 58.100 -0.324 0.000 1.161 48 Y CB 1.120 39.415 38.460 -0.274 0.000 1.155 48 Y HN 0.300 nan 8.280 nan 0.000 0.503 49 P HA 0.476 nan 4.420 nan 0.000 0.300 49 P C -1.285 175.831 177.300 -0.306 0.000 1.326 49 P CA -0.292 62.657 63.100 -0.252 0.000 0.844 49 P CB 1.778 33.410 31.700 -0.114 0.000 0.992 50 L N 2.994 123.993 121.223 -0.373 0.000 2.371 50 L HA 0.594 4.934 4.340 -0.000 0.000 0.262 50 L C -0.618 176.003 176.870 -0.415 0.000 1.006 50 L CA -0.845 53.764 54.840 -0.383 0.000 0.818 50 L CB 1.647 43.528 42.059 -0.297 0.000 1.354 50 L HN 0.214 nan 8.230 nan 0.000 0.415 51 F N 1.319 121.287 119.950 0.030 0.000 2.444 51 F HA 0.605 5.132 4.527 -0.000 0.000 0.342 51 F C -0.017 175.755 175.800 -0.048 0.000 1.121 51 F CA -0.820 57.185 58.000 0.007 0.000 0.997 51 F CB 1.957 40.903 39.000 -0.090 0.000 1.130 51 F HN 0.011 nan 8.300 nan 0.000 0.454 52 V N 4.573 124.571 119.914 0.139 0.000 2.604 52 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 52 V C -0.755 175.427 176.094 0.146 0.000 1.043 52 V CA -0.339 62.023 62.300 0.105 0.000 0.888 52 V CB 1.606 33.475 31.823 0.078 0.000 0.995 52 V HN 0.978 nan 8.190 nan 0.000 0.429 53 H N 1.738 120.824 119.070 0.028 0.000 2.812 53 H HA 0.580 5.136 4.556 -0.000 0.000 0.355 53 H C -0.747 174.581 175.328 -0.000 0.000 1.207 53 H CA -0.944 55.105 56.048 0.001 0.000 1.217 53 H CB 2.109 31.859 29.762 -0.019 0.000 1.874 53 H HN 0.458 nan 8.280 nan 0.000 0.581 54 D N 0.120 120.511 120.400 -0.016 0.000 2.434 54 D HA 0.070 4.710 4.640 -0.000 0.000 0.232 54 D C -0.484 175.688 176.300 -0.214 0.000 1.166 54 D CA -0.041 53.910 54.000 -0.083 0.000 0.830 54 D CB 0.118 40.891 40.800 -0.045 0.000 0.960 54 D HN 0.352 nan 8.370 nan 0.000 0.497 55 E N -0.716 119.195 120.200 -0.481 0.000 2.232 55 E HA 0.294 4.644 4.350 -0.000 0.000 0.265 55 E C 1.144 177.620 176.600 -0.206 0.000 1.001 55 E CA -0.129 56.008 56.400 -0.438 0.000 0.870 55 E CB 0.777 30.031 29.700 -0.743 0.000 1.175 55 E HN 0.244 nan 8.360 nan 0.000 0.407 56 E N 0.856 120.986 120.200 -0.117 0.000 2.208 56 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 56 E C 0.511 177.110 176.600 -0.002 0.000 0.988 56 E CA 1.032 57.406 56.400 -0.043 0.000 0.828 56 E CB -0.026 29.654 29.700 -0.034 0.000 0.763 56 E HN 0.317 nan 8.360 nan 0.000 0.478 57 T N 0.411 114.973 114.554 0.013 0.000 2.876 57 T HA 0.503 4.853 4.350 -0.000 0.000 0.289 57 T C -0.282 174.527 174.700 0.182 0.000 1.014 57 T CA -0.435 61.707 62.100 0.069 0.000 0.986 57 T CB 1.847 70.741 68.868 0.044 0.000 1.021 57 T HN 0.193 nan 8.240 nan 0.000 0.458 58 S N 1.474 117.264 115.700 0.149 0.000 2.576 58 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 58 S C -0.214 174.431 174.600 0.075 0.000 1.339 58 S CA -0.630 57.647 58.200 0.129 0.000 1.039 58 S CB 0.640 63.876 63.200 0.060 0.000 0.902 58 S HN 0.480 nan 8.310 nan 0.000 0.516 59 V N 4.881 124.793 119.914 -0.003 0.000 2.638 59 V HA 0.378 4.498 4.120 -0.000 0.000 0.306 59 V C -2.343 173.709 176.094 -0.071 0.000 1.052 59 V CA -2.044 60.246 62.300 -0.016 0.000 0.885 59 V CB 1.894 33.726 31.823 0.015 0.000 0.999 59 V HN 0.639 nan 8.190 nan 0.000 0.424 60 P HA 0.284 nan 4.420 nan 0.000 0.270 60 P C -0.673 176.569 177.300 -0.097 0.000 1.223 60 P CA -0.059 63.009 63.100 -0.054 0.000 0.785 60 P CB 0.595 32.282 31.700 -0.022 0.000 0.923 61 I N 3.247 123.746 120.570 -0.120 0.000 2.337 61 I HA 0.197 4.367 4.170 -0.000 0.000 0.285 61 I C -1.563 174.498 176.117 -0.093 0.000 1.041 61 I CA -1.987 59.215 61.300 -0.163 0.000 1.199 61 I CB 1.567 39.399 38.000 -0.280 0.000 1.370 61 I HN 0.254 nan 8.210 nan 0.000 0.470 62 P HA -0.154 nan 4.420 nan 0.000 0.217 62 P C 1.426 178.714 177.300 -0.020 0.000 1.150 62 P CA 1.090 64.169 63.100 -0.034 0.000 0.832 62 P CB 0.158 31.839 31.700 -0.031 0.000 0.787 63 S N -2.218 113.464 115.700 -0.030 0.000 2.607 63 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 63 S C 0.947 175.561 174.600 0.022 0.000 0.969 63 S CA 0.368 58.566 58.200 -0.004 0.000 0.927 63 S CB -0.888 62.309 63.200 -0.004 0.000 0.772 63 S HN 0.065 nan 8.310 nan 0.000 0.533 64 M N 2.185 121.788 119.600 0.007 0.000 2.488 64 M HA 0.394 4.874 4.480 -0.000 0.000 0.204 64 M C -3.063 173.349 176.300 0.187 0.000 0.969 64 M CA -1.927 53.439 55.300 0.111 0.000 0.720 64 M CB 1.450 33.986 32.600 -0.106 0.000 1.427 64 M HN -0.138 nan 8.290 nan 0.000 0.427 65 P HA 0.150 nan 4.420 nan 0.000 0.267 65 P C 1.011 178.417 177.300 0.177 0.000 1.205 65 P CA 1.077 64.241 63.100 0.107 0.000 0.765 65 P CB 0.749 32.474 31.700 0.042 0.000 0.828 66 G N 1.232 110.109 108.800 0.128 0.000 2.213 66 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 66 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 66 G C 0.004 174.982 174.900 0.131 0.000 0.991 66 G CA -0.330 44.857 45.100 0.146 0.000 0.629 66 G HN 0.526 nan 8.290 nan 0.000 0.517 67 Q N 0.299 120.152 119.800 0.088 0.000 2.248 67 Q HA 0.815 5.154 4.340 -0.000 0.000 0.263 67 Q C -0.372 175.625 176.000 -0.005 0.000 1.007 67 Q CA -0.269 55.557 55.803 0.039 0.000 0.877 67 Q CB 1.954 30.658 28.738 -0.058 0.000 1.315 67 Q HN 0.276 nan 8.270 nan 0.000 0.454 68 S N 0.184 115.889 115.700 0.008 0.000 2.595 68 S HA 0.511 4.981 4.470 -0.000 0.000 0.281 68 S C -0.758 173.791 174.600 -0.085 0.000 1.117 68 S CA -0.892 57.275 58.200 -0.056 0.000 0.873 68 S CB 1.685 64.872 63.200 -0.022 0.000 1.108 68 S HN 0.351 nan 8.310 nan 0.000 0.477 69 R N 1.309 121.668 120.500 -0.235 0.000 2.296 69 R HA 0.334 4.674 4.340 -0.000 0.000 0.323 69 R C -0.850 175.235 176.300 -0.358 0.000 1.067 69 R CA 0.015 55.888 56.100 -0.378 0.000 0.946 69 R CB -0.067 29.792 30.300 -0.735 0.000 0.991 69 R HN 0.418 nan 8.270 nan 0.000 0.448 70 L N 2.340 123.479 121.223 -0.140 0.000 2.307 70 L HA 0.258 4.598 4.340 -0.000 0.000 0.282 70 L C 0.754 177.708 176.870 0.142 0.000 1.051 70 L CA -0.564 54.278 54.840 0.002 0.000 0.804 70 L CB 1.685 43.765 42.059 0.035 0.000 1.197 70 L HN 0.687 nan 8.230 nan 0.000 0.431 71 S N 2.088 117.900 115.700 0.187 0.000 2.584 71 S HA 0.052 4.521 4.470 -0.000 0.000 0.270 71 S C 0.992 175.652 174.600 0.100 0.000 1.346 71 S CA -0.598 57.707 58.200 0.175 0.000 1.018 71 S CB 0.896 64.163 63.200 0.111 0.000 0.899 71 S HN 0.705 nan 8.310 nan 0.000 0.542 72 M N 1.099 120.742 119.600 0.072 0.000 2.108 72 M HA -0.132 4.348 4.480 -0.000 0.000 0.257 72 M C 1.853 178.174 176.300 0.034 0.000 1.071 72 M CA 1.867 57.193 55.300 0.044 0.000 1.093 72 M CB -0.816 31.799 32.600 0.025 0.000 1.345 72 M HN 0.818 nan 8.290 nan 0.000 0.403 73 E N -0.339 119.881 120.200 0.033 0.000 2.158 73 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 73 E C 1.619 178.243 176.600 0.040 0.000 0.982 73 E CA 1.015 57.431 56.400 0.027 0.000 0.823 73 E CB -0.283 29.429 29.700 0.019 0.000 0.766 73 E HN 0.564 nan 8.360 nan 0.000 0.468 74 D N 0.520 120.949 120.400 0.048 0.000 2.224 74 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 74 D C 1.954 178.283 176.300 0.048 0.000 0.965 74 D CA 0.211 54.242 54.000 0.052 0.000 0.852 74 D CB -0.039 40.795 40.800 0.057 0.000 0.947 74 D HN 0.094 nan 8.370 nan 0.000 0.494 75 L N 0.432 121.680 121.223 0.041 0.000 2.027 75 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 75 L C 2.014 178.896 176.870 0.021 0.000 1.074 75 L CA 1.428 56.279 54.840 0.019 0.000 0.745 75 L CB -0.536 41.531 42.059 0.012 0.000 0.898 75 L HN 0.003 nan 8.230 nan 0.000 0.433 76 L N -0.056 121.201 121.223 0.057 0.000 2.042 76 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 76 L C 3.010 179.978 176.870 0.164 0.000 1.076 76 L CA 2.019 56.944 54.840 0.141 0.000 0.749 76 L CB -1.123 40.986 42.059 0.084 0.000 0.893 76 L HN 0.397 nan 8.230 nan 0.000 0.432 77 K N 0.159 120.616 120.400 0.094 0.000 2.097 77 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 77 K C 1.912 178.543 176.600 0.051 0.000 1.049 77 K CA 1.903 58.238 56.287 0.080 0.000 0.933 77 K CB -0.681 31.856 32.500 0.062 0.000 0.717 77 K HN 0.322 nan 8.250 nan 0.000 0.442 78 E N 0.097 120.324 120.200 0.047 0.000 2.076 78 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 78 E C 1.954 178.579 176.600 0.042 0.000 0.979 78 E CA 1.099 57.548 56.400 0.080 0.000 0.807 78 E CB -0.143 29.619 29.700 0.102 0.000 0.761 78 E HN 0.218 nan 8.360 nan 0.000 0.454 79 V N 0.352 120.184 119.914 -0.137 0.000 2.295 79 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 79 V C 2.302 178.029 176.094 -0.613 0.000 1.049 79 V CA 1.967 63.955 62.300 -0.520 0.000 1.024 79 V CB -1.166 30.194 31.823 -0.772 0.000 0.648 79 V HN 0.500 nan 8.190 nan 0.000 0.447 80 G N -0.761 107.728 108.800 -0.518 0.000 2.469 80 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 80 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 80 G C 1.555 176.297 174.900 -0.264 0.000 1.150 80 G CA 1.089 45.942 45.100 -0.413 0.000 0.763 80 G HN 0.586 nan 8.290 nan 0.000 0.561 81 E N 0.367 120.463 120.200 -0.173 0.000 2.072 81 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 81 E C 2.771 179.136 176.600 -0.391 0.000 0.985 81 E CA 0.887 57.134 56.400 -0.256 0.000 0.801 81 E CB -0.215 29.430 29.700 -0.092 0.000 0.750 81 E HN 0.350 nan 8.360 nan 0.000 0.452 82 A N 1.236 123.997 122.820 -0.098 0.000 1.898 82 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 82 A C 2.143 179.731 177.584 0.006 0.000 1.181 82 A CA 1.256 53.314 52.037 0.035 0.000 0.620 82 A CB -0.422 18.790 19.000 0.354 0.000 0.819 82 A HN 0.163 nan 8.150 nan 0.000 0.442 83 R N 0.353 120.844 120.500 -0.015 0.000 2.103 83 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 83 R C 2.576 178.803 176.300 -0.121 0.000 1.142 83 R CA 1.839 57.903 56.100 -0.061 0.000 0.960 83 R CB -0.456 29.706 30.300 -0.230 0.000 0.858 83 R HN 0.731 nan 8.270 nan 0.000 0.439 84 S N -0.199 115.343 115.700 -0.264 0.000 2.442 84 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 84 S C 1.303 175.792 174.600 -0.185 0.000 1.007 84 S CA 0.869 58.907 58.200 -0.271 0.000 0.965 84 S CB -0.227 62.731 63.200 -0.403 0.000 0.773 84 S HN 0.330 nan 8.310 nan 0.000 0.504 85 Y N 1.636 121.922 120.300 -0.023 0.000 2.466 85 Y HA 0.484 5.034 4.550 -0.000 0.000 0.272 85 Y C 1.960 177.836 175.900 -0.040 0.000 1.169 85 Y CA -0.967 57.112 58.100 -0.036 0.000 1.285 85 Y CB -0.471 37.948 38.460 -0.067 0.000 1.078 85 Y HN 0.416 nan 8.280 nan 0.000 0.523 86 G N -0.222 108.624 108.800 0.077 0.000 2.163 86 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 86 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 86 G C -0.102 174.796 174.900 -0.004 0.000 0.991 86 G CA -0.362 44.759 45.100 0.035 0.000 0.653 86 G HN 0.066 nan 8.290 nan 0.000 0.518 87 I N 0.927 121.485 120.570 -0.019 0.000 2.556 87 I HA 0.249 4.419 4.170 -0.000 0.000 0.284 87 I C 1.234 177.290 176.117 -0.102 0.000 1.114 87 I CA 0.323 61.543 61.300 -0.133 0.000 1.418 87 I CB 1.140 38.997 38.000 -0.238 0.000 1.394 87 I HN 0.079 nan 8.210 nan 0.000 0.552 88 K N 4.038 124.332 120.400 -0.176 0.000 2.412 88 K HA 0.340 4.659 4.320 -0.000 0.000 0.202 88 K C 0.187 176.729 176.600 -0.097 0.000 1.102 88 K CA 0.128 56.395 56.287 -0.033 0.000 1.027 88 K CB 1.171 33.663 32.500 -0.014 0.000 0.931 88 K HN 0.634 nan 8.250 nan 0.000 0.557 89 A N 1.336 123.882 122.820 -0.457 0.000 2.343 89 A HA 0.741 5.060 4.320 -0.000 0.000 0.316 89 A C -1.236 175.917 177.584 -0.718 0.000 1.104 89 A CA -0.495 51.333 52.037 -0.349 0.000 0.768 89 A CB 0.481 19.342 19.000 -0.232 0.000 1.213 89 A HN 0.079 nan 8.150 nan 0.000 0.456 90 F N 1.415 121.313 119.950 -0.087 0.000 2.539 90 F HA 0.533 5.060 4.527 -0.000 0.000 0.318 90 F C 0.166 175.861 175.800 -0.175 0.000 1.135 90 F CA -0.336 57.594 58.000 -0.117 0.000 0.915 90 F CB 2.291 41.227 39.000 -0.107 0.000 1.176 90 F HN 0.450 nan 8.300 nan 0.000 0.440 91 M N 4.309 123.839 119.600 -0.117 0.000 2.318 91 M HA 0.575 5.055 4.480 -0.000 0.000 0.347 91 M C -1.176 174.892 176.300 -0.386 0.000 1.175 91 M CA -0.496 54.641 55.300 -0.272 0.000 1.075 91 M CB 1.432 33.837 32.600 -0.325 0.000 1.614 91 M HN 0.475 nan 8.290 nan 0.000 0.456 92 L N 3.777 124.695 121.223 -0.508 0.000 2.381 92 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 92 L C -1.526 175.010 176.870 -0.557 0.000 0.988 92 L CA -0.526 54.068 54.840 -0.409 0.000 0.824 92 L CB 1.464 43.414 42.059 -0.181 0.000 1.263 92 L HN 0.561 nan 8.230 nan 0.000 0.410 93 F N 3.435 123.341 119.950 -0.073 0.000 2.507 93 F HA 0.545 5.072 4.527 -0.000 0.000 0.325 93 F C -2.243 173.578 175.800 0.034 0.000 1.116 93 F CA -2.405 55.605 58.000 0.017 0.000 0.930 93 F CB 1.876 40.905 39.000 0.049 0.000 1.146 93 F HN 0.211 nan 8.300 nan 0.000 0.447 94 P HA 0.222 nan 4.420 nan 0.000 0.296 94 P C -1.208 176.087 177.300 -0.008 0.000 1.306 94 P CA -0.784 62.356 63.100 0.068 0.000 0.818 94 P CB 1.749 33.450 31.700 0.001 0.000 0.969 95 K N 3.799 124.206 120.400 0.013 0.000 2.267 95 K HA 0.333 4.652 4.320 -0.000 0.000 0.282 95 K C -0.978 175.594 176.600 -0.046 0.000 1.078 95 K CA -0.466 55.791 56.287 -0.050 0.000 0.903 95 K CB -0.144 32.331 32.500 -0.041 0.000 1.111 95 K HN 0.161 nan 8.250 nan 0.000 0.475 96 V N 2.590 122.425 119.914 -0.132 0.000 2.539 96 V HA 0.327 4.447 4.120 -0.000 0.000 0.292 96 V C 0.450 176.502 176.094 -0.070 0.000 1.045 96 V CA -0.238 61.987 62.300 -0.126 0.000 0.945 96 V CB 1.039 32.708 31.823 -0.257 0.000 0.993 96 V HN 0.927 nan 8.190 nan 0.000 0.464 97 D N 1.603 121.980 120.400 -0.039 0.000 2.488 97 D HA 0.338 4.978 4.640 -0.000 0.000 0.238 97 D C 1.103 177.387 176.300 -0.028 0.000 1.138 97 D CA 0.405 54.387 54.000 -0.029 0.000 0.873 97 D CB 0.230 41.015 40.800 -0.024 0.000 1.183 97 D HN 0.959 nan 8.370 nan 0.000 0.458 98 D N 0.029 120.413 120.400 -0.026 0.000 2.309 98 D HA 0.120 4.760 4.640 -0.000 0.000 0.212 98 D C 2.102 178.396 176.300 -0.010 0.000 0.968 98 D CA 1.970 55.958 54.000 -0.020 0.000 0.882 98 D CB -0.741 40.048 40.800 -0.019 0.000 0.918 98 D HN 0.864 nan 8.370 nan 0.000 0.503 99 E N -0.105 120.090 120.200 -0.009 0.000 2.150 99 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 99 E C 2.058 178.659 176.600 0.003 0.000 0.985 99 E CA 0.880 57.277 56.400 -0.004 0.000 0.814 99 E CB -0.596 29.100 29.700 -0.006 0.000 0.752 99 E HN 0.690 nan 8.360 nan 0.000 0.466 100 L N -0.398 120.829 121.223 0.007 0.000 2.509 100 L HA 0.139 4.479 4.340 -0.000 0.000 0.222 100 L C 0.979 177.872 176.870 0.038 0.000 1.123 100 L CA 0.037 54.890 54.840 0.021 0.000 0.856 100 L CB 0.221 42.300 42.059 0.033 0.000 0.985 100 L HN 0.087 nan 8.230 nan 0.000 0.456 101 K N 0.601 121.019 120.400 0.030 0.000 2.258 101 K HA 0.286 4.606 4.320 -0.000 0.000 0.264 101 K C 0.281 176.904 176.600 0.038 0.000 1.007 101 K CA 0.063 56.377 56.287 0.045 0.000 0.941 101 K CB 1.121 33.634 32.500 0.023 0.000 0.966 101 K HN 0.103 nan 8.250 nan 0.000 0.480 102 S N -1.495 114.234 115.700 0.049 0.000 2.727 102 S HA 0.352 4.822 4.470 -0.000 0.000 0.278 102 S C 0.879 175.509 174.600 0.049 0.000 1.186 102 S CA -0.474 57.749 58.200 0.038 0.000 0.836 102 S CB 0.318 63.532 63.200 0.023 0.000 1.186 102 S HN 0.309 nan 8.310 nan 0.000 0.499 103 V N 0.506 120.446 119.914 0.045 0.000 2.307 103 V HA 0.015 4.135 4.120 -0.000 0.000 0.245 103 V C 2.428 178.555 176.094 0.055 0.000 1.045 103 V CA 2.226 64.557 62.300 0.051 0.000 1.024 103 V CB -0.954 30.894 31.823 0.043 0.000 0.651 103 V HN 0.761 nan 8.190 nan 0.000 0.449 104 M N -0.793 118.837 119.600 0.050 0.000 2.492 104 M HA 0.391 4.871 4.480 -0.000 0.000 0.262 104 M C 1.438 177.774 176.300 0.059 0.000 1.090 104 M CA 0.818 56.156 55.300 0.064 0.000 1.110 104 M CB -0.601 32.046 32.600 0.077 0.000 1.407 104 M HN 1.332 nan 8.290 nan 0.000 0.470 105 A N 0.703 123.543 122.820 0.034 0.000 3.002 105 A HA -0.204 4.116 4.320 -0.000 0.000 0.272 105 A C 0.944 178.439 177.584 -0.148 0.000 1.421 105 A CA 0.937 52.983 52.037 0.015 0.000 0.766 105 A CB -2.267 16.772 19.000 0.065 0.000 1.034 105 A HN 0.506 nan 8.150 nan 0.000 0.541 106 E N -0.003 120.069 120.200 -0.212 0.000 2.171 106 E HA -0.152 4.197 4.350 -0.000 0.000 0.197 106 E C 1.626 177.788 176.600 -0.730 0.000 0.997 106 E CA 1.432 57.490 56.400 -0.571 0.000 0.810 106 E CB -0.091 29.408 29.700 -0.335 0.000 0.738 106 E HN 0.851 nan 8.360 nan 0.000 0.467 107 E N 0.526 120.514 120.200 -0.352 0.000 2.204 107 E HA -0.161 4.188 4.350 -0.000 0.000 0.195 107 E C 1.742 178.029 176.600 -0.521 0.000 0.990 107 E CA 1.192 57.448 56.400 -0.239 0.000 0.821 107 E CB -0.262 29.509 29.700 0.119 0.000 0.750 107 E HN 0.265 nan 8.360 nan 0.000 0.477 108 S N -0.255 114.861 115.700 -0.974 0.000 2.387 108 S HA -0.256 4.214 4.470 -0.000 0.000 0.230 108 S C 1.734 176.058 174.600 -0.461 0.000 1.035 108 S CA 1.463 58.953 58.200 -1.184 0.000 1.014 108 S CB -0.876 61.838 63.200 -0.809 0.000 0.836 108 S HN 0.581 nan 8.310 nan 0.000 0.466 109 Y N 0.650 120.791 120.300 -0.265 0.000 2.607 109 Y HA 0.545 5.095 4.550 -0.000 0.000 0.266 109 Y C 0.202 176.044 175.900 -0.096 0.000 1.178 109 Y CA -1.557 56.451 58.100 -0.153 0.000 1.226 109 Y CB -0.927 37.457 38.460 -0.125 0.000 1.144 109 Y HN 0.099 nan 8.280 nan 0.000 0.528 110 N N 3.812 122.437 118.700 -0.125 0.000 2.431 110 N HA 0.100 4.840 4.740 -0.000 0.000 0.265 110 N C -1.973 173.538 175.510 0.001 0.000 1.184 110 N CA -2.298 50.720 53.050 -0.053 0.000 0.943 110 N CB 1.230 39.668 38.487 -0.081 0.000 1.080 110 N HN 0.083 nan 8.380 nan 0.000 0.477 111 P HA 0.052 nan 4.420 nan 0.000 0.233 111 P C -0.155 177.156 177.300 0.018 0.000 1.167 111 P CA 0.779 63.892 63.100 0.023 0.000 0.770 111 P CB 0.432 32.147 31.700 0.024 0.000 0.837 112 D N -0.689 119.720 120.400 0.015 0.000 2.349 112 D HA 0.093 4.733 4.640 -0.000 0.000 0.214 112 D C 1.355 177.668 176.300 0.022 0.000 1.063 112 D CA 0.232 54.241 54.000 0.014 0.000 0.847 112 D CB 0.121 40.927 40.800 0.010 0.000 0.933 112 D HN 0.096 nan 8.370 nan 0.000 0.513 113 G N 0.931 109.750 108.800 0.031 0.000 2.684 113 G HA2 0.113 4.073 3.960 -0.000 0.000 0.255 113 G HA3 0.113 4.073 3.960 -0.000 0.000 0.255 113 G C 1.066 176.004 174.900 0.064 0.000 1.219 113 G CA -0.525 44.609 45.100 0.058 0.000 0.901 113 G HN 0.069 nan 8.290 nan 0.000 0.548 114 L N 0.255 121.527 121.223 0.082 0.000 1.989 114 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 114 L C 2.558 179.471 176.870 0.072 0.000 1.071 114 L CA 1.791 56.671 54.840 0.067 0.000 0.749 114 L CB -0.838 41.259 42.059 0.064 0.000 0.890 114 L HN 0.466 nan 8.230 nan 0.000 0.431 115 L N -0.054 121.233 121.223 0.106 0.000 2.017 115 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 115 L C -0.458 176.446 176.870 0.057 0.000 1.073 115 L CA 1.998 56.892 54.840 0.090 0.000 0.745 115 L CB -1.844 40.299 42.059 0.140 0.000 0.894 115 L HN 0.179 nan 8.230 nan 0.000 0.432 116 P HA -0.172 nan 4.420 nan 0.000 0.216 116 P C 1.537 178.851 177.300 0.023 0.000 1.150 116 P CA 1.590 64.709 63.100 0.033 0.000 0.837 116 P CB -0.091 31.627 31.700 0.030 0.000 0.786 117 R N -0.574 119.941 120.500 0.026 0.000 2.073 117 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 117 R C 2.296 178.603 176.300 0.011 0.000 1.134 117 R CA 1.579 57.689 56.100 0.016 0.000 0.952 117 R CB -1.062 29.248 30.300 0.016 0.000 0.850 117 R HN 0.137 nan 8.270 nan 0.000 0.433 118 A N 1.195 124.026 122.820 0.018 0.000 1.908 118 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 118 A C 2.138 179.723 177.584 0.002 0.000 1.181 118 A CA 1.264 53.308 52.037 0.011 0.000 0.627 118 A CB -0.490 18.519 19.000 0.016 0.000 0.818 118 A HN 0.193 nan 8.150 nan 0.000 0.445 119 I N -0.876 119.697 120.570 0.005 0.000 2.142 119 I HA -0.329 3.841 4.170 -0.000 0.000 0.240 119 I C 2.797 178.914 176.117 0.000 0.000 1.078 119 I CA 1.758 63.059 61.300 0.001 0.000 1.343 119 I CB -0.319 37.684 38.000 0.005 0.000 1.046 119 I HN 0.349 nan 8.210 nan 0.000 0.405 120 M N 0.105 119.705 119.600 -0.001 0.000 2.106 120 M HA -0.263 4.217 4.480 -0.000 0.000 0.259 120 M C 2.515 178.804 176.300 -0.018 0.000 1.068 120 M CA 2.166 57.462 55.300 -0.007 0.000 1.100 120 M CB -0.535 32.061 32.600 -0.006 0.000 1.351 120 M HN 0.377 nan 8.290 nan 0.000 0.404 121 A N 0.404 123.213 122.820 -0.017 0.000 1.858 121 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 121 A C 2.061 179.620 177.584 -0.043 0.000 1.190 121 A CA 1.459 53.477 52.037 -0.032 0.000 0.617 121 A CB -0.983 18.003 19.000 -0.022 0.000 0.827 121 A HN 0.463 nan 8.150 nan 0.000 0.443 122 L N -0.828 120.389 121.223 -0.011 0.000 2.131 122 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 122 L C 2.536 179.425 176.870 0.032 0.000 1.092 122 L CA 1.167 56.028 54.840 0.035 0.000 0.759 122 L CB -0.359 41.722 42.059 0.036 0.000 0.903 122 L HN 0.233 nan 8.230 nan 0.000 0.435 123 K N 0.271 120.674 120.400 0.005 0.000 2.057 123 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 123 K C 2.335 178.914 176.600 -0.034 0.000 1.050 123 K CA 1.657 57.946 56.287 0.004 0.000 0.935 123 K CB -0.509 31.993 32.500 0.003 0.000 0.715 123 K HN 0.419 nan 8.250 nan 0.000 0.439 124 E N 0.958 121.120 120.200 -0.062 0.000 2.085 124 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 124 E C 2.021 178.523 176.600 -0.164 0.000 0.994 124 E CA 1.769 58.114 56.400 -0.091 0.000 0.801 124 E CB -0.618 29.030 29.700 -0.087 0.000 0.743 124 E HN 0.396 nan 8.360 nan 0.000 0.453 125 A N -1.024 121.633 122.820 -0.271 0.000 1.935 125 A HA 0.448 4.768 4.320 -0.000 0.000 0.214 125 A C 0.559 177.680 177.584 -0.772 0.000 1.178 125 A CA 0.739 52.425 52.037 -0.584 0.000 0.640 125 A CB 0.230 18.744 19.000 -0.811 0.000 0.825 125 A HN 0.428 nan 8.150 nan 0.000 0.447 126 F N -1.166 118.745 119.950 -0.064 0.000 2.686 126 F HA 0.388 4.915 4.527 -0.000 0.000 0.365 126 F C -2.239 173.535 175.800 -0.043 0.000 1.196 126 F CA -2.229 55.735 58.000 -0.061 0.000 1.198 126 F CB 1.333 40.276 39.000 -0.096 0.000 1.454 126 F HN -0.017 nan 8.300 nan 0.000 0.539 127 P HA -0.152 nan 4.420 nan 0.000 0.218 127 P C 0.668 178.007 177.300 0.066 0.000 1.148 127 P CA 1.403 64.535 63.100 0.053 0.000 0.822 127 P CB 0.131 31.844 31.700 0.023 0.000 0.784 128 D N -1.801 118.649 120.400 0.084 0.000 2.358 128 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 128 D C 0.331 176.682 176.300 0.084 0.000 1.123 128 D CA -0.365 53.677 54.000 0.070 0.000 0.833 128 D CB -0.831 40.004 40.800 0.058 0.000 0.946 128 D HN -0.033 nan 8.370 nan 0.000 0.505 129 V N 0.742 120.718 119.914 0.104 0.000 2.715 129 V HA 0.106 4.225 4.120 -0.000 0.000 0.299 129 V C -0.252 175.912 176.094 0.117 0.000 1.054 129 V CA -0.645 61.725 62.300 0.117 0.000 1.077 129 V CB 0.993 32.846 31.823 0.050 0.000 0.972 129 V HN 0.177 nan 8.190 nan 0.000 0.484 130 L N 7.585 128.901 121.223 0.155 0.000 2.260 130 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 130 L C -0.385 176.567 176.870 0.136 0.000 1.057 130 L CA 0.428 55.329 54.840 0.100 0.000 0.811 130 L CB 0.788 42.876 42.059 0.048 0.000 1.184 130 L HN 0.546 nan 8.230 nan 0.000 0.429 131 L N 6.156 127.425 121.223 0.077 0.000 2.305 131 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 131 L C -1.037 175.839 176.870 0.009 0.000 1.013 131 L CA -0.814 54.061 54.840 0.058 0.000 0.819 131 L CB 1.518 43.597 42.059 0.032 0.000 1.227 131 L HN 0.383 nan 8.230 nan 0.000 0.417 132 L N 3.702 124.913 121.223 -0.020 0.000 2.287 132 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 132 L C 0.236 177.054 176.870 -0.087 0.000 1.022 132 L CA -0.062 54.747 54.840 -0.051 0.000 0.814 132 L CB 1.552 43.566 42.059 -0.075 0.000 1.217 132 L HN 0.614 nan 8.230 nan 0.000 0.420 133 A N 2.230 125.019 122.820 -0.051 0.000 2.330 133 A HA 0.559 4.879 4.320 -0.000 0.000 0.327 133 A C -0.612 176.968 177.584 -0.007 0.000 1.155 133 A CA -0.600 51.404 52.037 -0.056 0.000 0.803 133 A CB 0.631 19.625 19.000 -0.010 0.000 1.208 133 A HN 0.694 nan 8.150 nan 0.000 0.477 134 D N 1.058 121.451 120.400 -0.011 0.000 2.350 134 D HA 0.416 5.056 4.640 -0.000 0.000 0.249 134 D C -0.726 175.658 176.300 0.139 0.000 1.119 134 D CA 0.346 54.417 54.000 0.119 0.000 0.886 134 D CB 0.923 41.876 40.800 0.256 0.000 1.195 134 D HN 0.187 nan 8.370 nan 0.000 0.437 135 V N 2.931 122.924 119.914 0.131 0.000 2.409 135 V HA 0.838 4.958 4.120 -0.000 0.000 0.291 135 V C -0.195 175.951 176.094 0.086 0.000 1.020 135 V CA -0.139 62.221 62.300 0.101 0.000 0.848 135 V CB 0.515 32.383 31.823 0.074 0.000 0.990 135 V HN 0.849 nan 8.190 nan 0.000 0.430 136 A N 4.226 127.105 122.820 0.099 0.000 2.583 136 A HA 0.491 4.811 4.320 -0.000 0.000 0.300 136 A C -0.433 177.239 177.584 0.147 0.000 0.966 136 A CA -0.569 51.518 52.037 0.084 0.000 0.673 136 A CB 0.474 19.506 19.000 0.054 0.000 1.297 136 A HN 0.596 nan 8.150 nan 0.000 0.418 137 L N 0.908 122.203 121.223 0.120 0.000 2.477 137 L HA 0.062 4.402 4.340 -0.000 0.000 0.220 137 L C 2.042 179.037 176.870 0.208 0.000 1.106 137 L CA 0.951 55.892 54.840 0.169 0.000 0.851 137 L CB -0.308 41.810 42.059 0.097 0.000 0.994 137 L HN 0.975 nan 8.230 nan 0.000 0.462 138 D N 0.664 121.155 120.400 0.151 0.000 2.182 138 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 138 D C -0.749 175.585 176.300 0.058 0.000 0.986 138 D CA 0.957 55.020 54.000 0.104 0.000 0.847 138 D CB -1.651 39.197 40.800 0.080 0.000 0.942 138 D HN 0.228 nan 8.370 nan 0.000 0.467 139 P HA -0.096 nan 4.420 nan 0.000 0.222 139 P C 0.718 177.824 177.300 -0.323 0.000 1.147 139 P CA 1.084 64.081 63.100 -0.172 0.000 0.790 139 P CB -0.286 31.257 31.700 -0.261 0.000 0.780 140 Y N -2.419 117.895 120.300 0.023 0.000 2.467 140 Y HA 0.268 4.818 4.550 -0.000 0.000 0.250 140 Y C 1.192 177.094 175.900 0.003 0.000 1.155 140 Y CA -0.293 57.809 58.100 0.004 0.000 1.249 140 Y CB 0.115 38.569 38.460 -0.009 0.000 1.146 140 Y HN -0.198 nan 8.280 nan 0.000 0.524 141 S N 0.497 116.279 115.700 0.136 0.000 2.513 141 S HA 0.116 4.586 4.470 -0.000 0.000 0.276 141 S C 1.329 175.964 174.600 0.058 0.000 1.254 141 S CA -0.050 58.210 58.200 0.100 0.000 1.053 141 S CB 0.732 63.997 63.200 0.108 0.000 0.958 141 S HN 0.404 nan 8.310 nan 0.000 0.491 142 S N 5.275 121.009 115.700 0.056 0.000 2.453 142 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 142 S C 1.513 176.138 174.600 0.043 0.000 1.005 142 S CA 0.408 58.631 58.200 0.039 0.000 0.949 142 S CB -0.202 63.020 63.200 0.037 0.000 0.774 142 S HN 0.745 nan 8.310 nan 0.000 0.510 143 M N 0.784 120.424 119.600 0.068 0.000 2.502 143 M HA 0.269 4.749 4.480 -0.000 0.000 0.243 143 M C 1.655 177.950 176.300 -0.007 0.000 1.130 143 M CA 0.777 56.129 55.300 0.086 0.000 1.055 143 M CB -1.244 31.479 32.600 0.204 0.000 1.457 143 M HN 0.586 nan 8.290 nan 0.000 0.488 144 G N 1.515 110.306 108.800 -0.015 0.000 2.198 144 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 144 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 144 G C -0.092 174.715 174.900 -0.156 0.000 1.025 144 G CA 0.227 45.277 45.100 -0.083 0.000 0.769 144 G HN 0.537 nan 8.290 nan 0.000 0.507 145 H N -0.431 118.695 119.070 0.093 0.000 2.499 145 H HA 0.318 4.874 4.556 -0.000 0.000 0.340 145 H C 0.646 176.018 175.328 0.073 0.000 1.148 145 H CA -0.541 55.587 56.048 0.133 0.000 1.215 145 H CB 1.649 31.488 29.762 0.128 0.000 1.529 145 H HN 0.086 nan 8.280 nan 0.000 0.510 146 D N 1.457 121.982 120.400 0.209 0.000 2.350 146 D HA 0.029 4.668 4.640 -0.000 0.000 0.216 146 D C 1.164 177.418 176.300 -0.076 0.000 0.968 146 D CA 0.734 54.757 54.000 0.039 0.000 0.894 146 D CB 0.385 41.199 40.800 0.023 0.000 0.909 146 D HN 0.609 nan 8.370 nan 0.000 0.520 147 G N -1.118 107.603 108.800 -0.132 0.000 2.818 147 G HA2 0.473 4.433 3.960 -0.000 0.000 0.286 147 G HA3 0.473 4.433 3.960 -0.000 0.000 0.286 147 G C -0.996 173.879 174.900 -0.041 0.000 1.364 147 G CA -0.640 44.383 45.100 -0.128 0.000 0.938 147 G HN -0.072 nan 8.290 nan 0.000 0.490 148 V N 0.592 120.490 119.914 -0.027 0.000 2.479 148 V HA 0.196 4.316 4.120 -0.000 0.000 0.281 148 V C 0.357 176.442 176.094 -0.015 0.000 1.031 148 V CA -0.281 62.022 62.300 0.005 0.000 1.038 148 V CB 1.020 32.854 31.823 0.018 0.000 0.981 148 V HN 0.419 nan 8.190 nan 0.000 0.478 149 V N 4.538 124.456 119.914 0.008 0.000 2.461 149 V HA 0.160 4.279 4.120 -0.000 0.000 0.275 149 V C 0.291 176.387 176.094 0.003 0.000 1.047 149 V CA -0.523 61.773 62.300 -0.007 0.000 0.955 149 V CB 1.442 33.282 31.823 0.028 0.000 0.988 149 V HN 0.954 nan 8.190 nan 0.000 0.471 150 D N 4.207 124.603 120.400 -0.008 0.000 2.424 150 D HA 0.345 4.985 4.640 -0.000 0.000 0.244 150 D C 1.208 177.512 176.300 0.007 0.000 1.134 150 D CA 0.874 54.873 54.000 -0.001 0.000 0.881 150 D CB 1.524 42.320 40.800 -0.006 0.000 1.191 150 D HN 0.725 nan 8.370 nan 0.000 0.445 151 E N 2.449 122.655 120.200 0.011 0.000 2.023 151 E HA -0.234 4.115 4.350 -0.000 0.000 0.196 151 E C 2.099 178.706 176.600 0.012 0.000 1.003 151 E CA 2.396 58.805 56.400 0.014 0.000 0.809 151 E CB -1.583 28.126 29.700 0.013 0.000 0.755 151 E HN 0.691 nan 8.360 nan 0.000 0.449 152 Q N 0.151 119.956 119.800 0.008 0.000 2.079 152 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 152 Q C 2.547 178.551 176.000 0.007 0.000 0.974 152 Q CA 2.751 58.558 55.803 0.007 0.000 0.840 152 Q CB -0.659 28.082 28.738 0.005 0.000 0.898 152 Q HN 0.980 nan 8.270 nan 0.000 0.430 153 S N -2.791 112.912 115.700 0.005 0.000 2.483 153 S HA 0.399 4.869 4.470 -0.000 0.000 0.221 153 S C 2.002 176.604 174.600 0.003 0.000 1.030 153 S CA 1.286 59.488 58.200 0.004 0.000 0.925 153 S CB 0.294 63.494 63.200 0.000 0.000 0.795 153 S HN 1.846 nan 8.310 nan 0.000 0.511 154 G N 1.337 110.137 108.800 0.001 0.000 2.184 154 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 154 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 154 G C -0.031 174.851 174.900 -0.029 0.000 0.975 154 G CA 0.442 45.539 45.100 -0.004 0.000 0.642 154 G HN 0.616 nan 8.290 nan 0.000 0.536 155 K N -0.206 120.180 120.400 -0.024 0.000 2.270 155 K HA 0.488 4.808 4.320 -0.000 0.000 0.276 155 K C 0.241 176.808 176.600 -0.056 0.000 1.023 155 K CA -0.727 55.541 56.287 -0.031 0.000 0.955 155 K CB 0.816 33.308 32.500 -0.014 0.000 0.975 155 K HN 0.097 nan 8.250 nan 0.000 0.471 156 I N 3.089 123.614 120.570 -0.076 0.000 2.363 156 I HA -0.019 4.151 4.170 -0.000 0.000 0.292 156 I C -0.243 175.822 176.117 -0.086 0.000 1.075 156 I CA 0.038 61.266 61.300 -0.120 0.000 1.333 156 I CB 0.641 38.510 38.000 -0.218 0.000 1.415 156 I HN 0.198 nan 8.210 nan 0.000 0.502 157 V N 7.380 127.255 119.914 -0.066 0.000 2.427 157 V HA 0.061 4.181 4.120 -0.000 0.000 0.268 157 V C 1.408 177.474 176.094 -0.047 0.000 1.046 157 V CA -0.133 62.142 62.300 -0.043 0.000 0.970 157 V CB 0.579 32.386 31.823 -0.027 0.000 1.001 157 V HN 0.776 nan 8.190 nan 0.000 0.476 158 N N 3.951 122.628 118.700 -0.038 0.000 2.058 158 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 158 N C 1.295 176.793 175.510 -0.020 0.000 1.037 158 N CA 1.920 54.949 53.050 -0.036 0.000 0.848 158 N CB 0.142 38.618 38.487 -0.019 0.000 1.021 158 N HN 0.742 nan 8.380 nan 0.000 0.422 159 D N -0.307 120.087 120.400 -0.010 0.000 2.162 159 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 159 D C 1.846 178.157 176.300 0.017 0.000 0.967 159 D CA 0.307 54.308 54.000 0.002 0.000 0.840 159 D CB -0.410 40.388 40.800 -0.003 0.000 0.972 159 D HN 0.199 nan 8.370 nan 0.000 0.482 160 L N 0.939 122.163 121.223 0.002 0.000 2.046 160 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 160 L C 2.077 178.982 176.870 0.058 0.000 1.077 160 L CA 1.659 56.508 54.840 0.015 0.000 0.747 160 L CB -0.891 41.161 42.059 -0.011 0.000 0.896 160 L HN -0.056 nan 8.230 nan 0.000 0.432 161 T N -1.220 113.345 114.554 0.020 0.000 2.684 161 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 161 T C 1.959 176.675 174.700 0.027 0.000 1.036 161 T CA 1.733 63.840 62.100 0.011 0.000 1.148 161 T CB -0.382 68.459 68.868 -0.045 0.000 0.863 161 T HN 0.201 nan 8.240 nan 0.000 0.436 162 V N 1.252 121.181 119.914 0.025 0.000 2.343 162 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 162 V C 2.349 178.465 176.094 0.038 0.000 1.051 162 V CA 1.725 64.039 62.300 0.023 0.000 1.036 162 V CB -0.762 31.072 31.823 0.017 0.000 0.654 162 V HN 0.653 nan 8.190 nan 0.000 0.451 163 H N 0.123 119.174 119.070 -0.031 0.000 2.321 163 H HA -0.226 4.330 4.556 -0.000 0.000 0.295 163 H C 2.380 177.672 175.328 -0.059 0.000 1.102 163 H CA 2.235 58.255 56.048 -0.047 0.000 1.266 163 H CB 0.198 29.933 29.762 -0.044 0.000 1.363 163 H HN 0.402 nan 8.280 nan 0.000 0.492 164 Q N 0.540 120.346 119.800 0.009 0.000 2.046 164 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 164 Q C 2.966 178.947 176.000 -0.033 0.000 0.975 164 Q CA 0.729 56.527 55.803 -0.008 0.000 0.836 164 Q CB -0.444 28.362 28.738 0.113 0.000 0.896 164 Q HN 0.518 nan 8.270 nan 0.000 0.428 165 L N 0.021 121.235 121.223 -0.015 0.000 2.079 165 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 165 L C 2.680 179.523 176.870 -0.046 0.000 1.081 165 L CA 1.011 55.842 54.840 -0.014 0.000 0.752 165 L CB -0.686 41.372 42.059 -0.002 0.000 0.896 165 L HN 0.240 nan 8.230 nan 0.000 0.433 166 C N 0.119 119.366 119.300 -0.088 0.000 2.413 166 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 166 C C 3.357 178.254 174.990 -0.155 0.000 1.248 166 C CA 1.464 60.411 59.018 -0.118 0.000 1.742 166 C CB -1.190 26.462 27.740 -0.146 0.000 2.017 166 C HN 0.596 nan 8.230 nan 0.000 0.481 167 K N 0.371 120.626 120.400 -0.241 0.000 2.057 167 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 167 K C 1.869 178.418 176.600 -0.086 0.000 1.050 167 K CA 1.837 57.945 56.287 -0.298 0.000 0.935 167 K CB -0.850 31.225 32.500 -0.708 0.000 0.715 167 K HN 0.745 nan 8.250 nan 0.000 0.439 168 Q N -0.603 119.194 119.800 -0.005 0.000 2.046 168 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 168 Q C 2.415 178.413 176.000 -0.003 0.000 0.975 168 Q CA 1.498 57.312 55.803 0.018 0.000 0.836 168 Q CB -0.339 28.392 28.738 -0.012 0.000 0.896 168 Q HN 0.552 nan 8.270 nan 0.000 0.428 169 A N 1.091 123.902 122.820 -0.014 0.000 1.873 169 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 169 A C 2.037 179.613 177.584 -0.014 0.000 1.193 169 A CA 1.674 53.706 52.037 -0.008 0.000 0.629 169 A CB -0.891 18.103 19.000 -0.011 0.000 0.826 169 A HN 0.507 nan 8.150 nan 0.000 0.447 170 I N -0.322 120.229 120.570 -0.031 0.000 2.208 170 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 170 I C 2.621 178.728 176.117 -0.015 0.000 1.097 170 I CA 1.857 63.138 61.300 -0.031 0.000 1.363 170 I CB -0.507 37.461 38.000 -0.054 0.000 1.051 170 I HN 0.310 nan 8.210 nan 0.000 0.413 171 T N 1.097 115.648 114.554 -0.007 0.000 2.708 171 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 171 T C 1.886 176.592 174.700 0.009 0.000 1.037 171 T CA 1.367 63.473 62.100 0.009 0.000 1.146 171 T CB -0.352 68.534 68.868 0.030 0.000 0.865 171 T HN 0.252 nan 8.240 nan 0.000 0.435 172 L N 0.686 121.915 121.223 0.010 0.000 2.093 172 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 172 L C 3.058 179.933 176.870 0.007 0.000 1.085 172 L CA 1.034 55.882 54.840 0.013 0.000 0.755 172 L CB -0.708 41.362 42.059 0.018 0.000 0.904 172 L HN 0.229 nan 8.230 nan 0.000 0.435 173 A N 0.405 123.226 122.820 0.003 0.000 1.877 173 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 173 A C 2.408 179.992 177.584 -0.000 0.000 1.186 173 A CA 1.629 53.666 52.037 0.000 0.000 0.620 173 A CB -0.508 18.490 19.000 -0.004 0.000 0.822 173 A HN 0.308 nan 8.150 nan 0.000 0.443 174 R N -0.577 119.923 120.500 -0.002 0.000 2.096 174 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 174 R C 2.393 178.694 176.300 0.001 0.000 1.127 174 R CA 1.164 57.263 56.100 -0.002 0.000 0.968 174 R CB -0.480 29.818 30.300 -0.003 0.000 0.861 174 R HN 0.521 nan 8.270 nan 0.000 0.440 175 A N -0.167 122.656 122.820 0.004 0.000 2.019 175 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 175 A C 1.600 179.186 177.584 0.004 0.000 1.164 175 A CA 1.648 53.688 52.037 0.005 0.000 0.644 175 A CB -0.221 18.785 19.000 0.010 0.000 0.805 175 A HN 0.523 nan 8.150 nan 0.000 0.449 176 G N -3.155 105.648 108.800 0.004 0.000 2.234 176 G HA2 0.278 4.238 3.960 -0.000 0.000 0.153 176 G HA3 0.278 4.238 3.960 -0.000 0.000 0.153 176 G C 0.251 175.155 174.900 0.007 0.000 1.013 176 G CA 0.030 45.133 45.100 0.005 0.000 0.712 176 G HN 1.417 nan 8.290 nan 0.000 0.491 177 A N 0.550 123.374 122.820 0.006 0.000 2.520 177 A HA 0.495 4.815 4.320 -0.000 0.000 0.245 177 A C 1.147 178.734 177.584 0.005 0.000 1.072 177 A CA 0.902 52.942 52.037 0.005 0.000 0.761 177 A CB 0.233 19.235 19.000 0.004 0.000 1.004 177 A HN 0.264 nan 8.150 nan 0.000 0.499 178 D N 1.159 121.563 120.400 0.007 0.000 2.289 178 D HA 0.056 4.696 4.640 -0.000 0.000 0.207 178 D C 0.221 176.520 176.300 -0.000 0.000 0.966 178 D CA 1.236 55.239 54.000 0.005 0.000 0.868 178 D CB 0.194 41.000 40.800 0.011 0.000 0.943 178 D HN 0.627 nan 8.370 nan 0.000 0.514 179 M N 1.039 120.638 119.600 -0.002 0.000 2.322 179 M HA 0.161 4.640 4.480 -0.000 0.000 0.285 179 M C -1.633 174.669 176.300 0.002 0.000 1.119 179 M CA -0.625 54.672 55.300 -0.005 0.000 0.953 179 M CB 2.737 35.327 32.600 -0.017 0.000 1.701 179 M HN -0.243 nan 8.290 nan 0.000 0.479 180 V N 0.952 120.874 119.914 0.013 0.000 2.612 180 V HA 0.786 4.906 4.120 -0.000 0.000 0.301 180 V C -0.848 175.281 176.094 0.058 0.000 1.046 180 V CA -0.535 61.784 62.300 0.032 0.000 0.946 180 V CB 1.436 33.277 31.823 0.030 0.000 1.003 180 V HN 0.993 nan 8.190 nan 0.000 0.459 181 C N 4.527 123.894 119.300 0.112 0.000 2.647 181 C HA 0.519 4.979 4.460 -0.000 0.000 0.273 181 C C -2.704 172.481 174.990 0.325 0.000 1.088 181 C CA -1.188 57.963 59.018 0.221 0.000 1.529 181 C CB 0.006 27.924 27.740 0.297 0.000 1.810 181 C HN 0.768 nan 8.230 nan 0.000 0.422 182 P HA 0.130 nan 4.420 nan 0.000 0.270 182 P C 0.700 178.147 177.300 0.246 0.000 1.242 182 P CA 0.630 63.841 63.100 0.186 0.000 0.768 182 P CB 0.614 32.386 31.700 0.120 0.000 0.820 183 S N 0.865 116.543 115.700 -0.035 0.000 2.568 183 S HA 0.019 4.489 4.470 -0.000 0.000 0.232 183 S C 0.962 175.438 174.600 -0.206 0.000 0.975 183 S CA -0.295 57.612 58.200 -0.488 0.000 0.949 183 S CB -0.406 62.262 63.200 -0.887 0.000 0.829 183 S HN 0.409 nan 8.310 nan 0.000 0.479 184 D N 1.028 121.402 120.400 -0.043 0.000 2.305 184 D HA -0.031 4.608 4.640 -0.000 0.000 0.206 184 D C 0.894 177.228 176.300 0.056 0.000 0.974 184 D CA 0.126 54.120 54.000 -0.009 0.000 0.871 184 D CB -0.401 40.381 40.800 -0.030 0.000 0.947 184 D HN 0.211 nan 8.370 nan 0.000 0.516 185 M N 0.059 119.705 119.600 0.077 0.000 2.436 185 M HA -0.172 4.308 4.480 -0.000 0.000 0.197 185 M C -0.303 176.044 176.300 0.079 0.000 0.442 185 M CA 0.730 56.094 55.300 0.106 0.000 0.473 185 M CB -1.505 31.194 32.600 0.165 0.000 1.685 185 M HN 0.219 nan 8.290 nan 0.000 0.835 186 M N -0.123 119.483 119.600 0.010 0.000 2.228 186 M HA 0.192 4.672 4.480 -0.000 0.000 0.326 186 M C 0.617 176.925 176.300 0.013 0.000 1.122 186 M CA 0.169 55.460 55.300 -0.014 0.000 1.161 186 M CB 0.296 32.869 32.600 -0.044 0.000 1.437 186 M HN 0.031 nan 8.290 nan 0.000 0.465 187 D N 0.977 121.384 120.400 0.012 0.000 2.308 187 D HA 0.396 5.035 4.640 -0.000 0.000 0.251 187 D C 1.143 177.450 176.300 0.012 0.000 1.127 187 D CA 0.735 54.745 54.000 0.016 0.000 0.876 187 D CB 0.890 41.700 40.800 0.016 0.000 1.176 187 D HN 0.877 nan 8.370 nan 0.000 0.446 188 G N 2.720 111.529 108.800 0.015 0.000 2.143 188 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.249 188 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.249 188 G C 1.273 176.180 174.900 0.013 0.000 0.981 188 G CA 0.512 45.620 45.100 0.013 0.000 0.665 188 G HN 0.545 nan 8.290 nan 0.000 0.528 189 R N 0.475 120.984 120.500 0.016 0.000 2.153 189 R HA 0.193 4.533 4.340 -0.000 0.000 0.218 189 R C 2.028 178.338 176.300 0.017 0.000 1.072 189 R CA 1.680 57.789 56.100 0.015 0.000 0.990 189 R CB -0.957 29.353 30.300 0.016 0.000 0.889 189 R HN 0.535 nan 8.270 nan 0.000 0.452 190 V N 1.568 121.495 119.914 0.022 0.000 2.237 190 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 190 V C 2.642 178.743 176.094 0.011 0.000 1.046 190 V CA 2.277 64.588 62.300 0.020 0.000 1.007 190 V CB -0.802 31.033 31.823 0.021 0.000 0.638 190 V HN 0.478 nan 8.190 nan 0.000 0.445 191 S N -0.555 115.151 115.700 0.010 0.000 2.370 191 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 191 S C 2.100 176.701 174.600 0.003 0.000 1.033 191 S CA 1.817 60.020 58.200 0.006 0.000 1.011 191 S CB -0.389 62.815 63.200 0.006 0.000 0.852 191 S HN 0.631 nan 8.310 nan 0.000 0.457 192 A N 0.967 123.789 122.820 0.003 0.000 1.898 192 A HA 0.037 4.356 4.320 -0.000 0.000 0.216 192 A C 2.116 179.695 177.584 -0.009 0.000 1.181 192 A CA 1.398 53.434 52.037 -0.001 0.000 0.620 192 A CB -0.711 18.291 19.000 0.002 0.000 0.819 192 A HN 0.599 nan 8.150 nan 0.000 0.442 193 I N -1.097 119.469 120.570 -0.006 0.000 2.179 193 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 193 I C 2.648 178.758 176.117 -0.011 0.000 1.088 193 I CA 1.622 62.915 61.300 -0.011 0.000 1.357 193 I CB -0.235 37.765 38.000 -0.000 0.000 1.051 193 I HN 0.270 nan 8.210 nan 0.000 0.409 194 R N 1.240 121.738 120.500 -0.004 0.000 2.113 194 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 194 R C 2.110 178.405 176.300 -0.008 0.000 1.142 194 R CA 1.983 58.081 56.100 -0.004 0.000 0.953 194 R CB -0.509 29.791 30.300 -0.001 0.000 0.860 194 R HN 0.386 nan 8.270 nan 0.000 0.438 195 E N -0.738 119.456 120.200 -0.009 0.000 2.107 195 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 195 E C 1.668 178.258 176.600 -0.016 0.000 0.982 195 E CA 1.332 57.726 56.400 -0.010 0.000 0.809 195 E CB 0.067 29.762 29.700 -0.008 0.000 0.756 195 E HN 0.560 nan 8.360 nan 0.000 0.459 196 S N 0.678 116.364 115.700 -0.023 0.000 2.371 196 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 196 S C 2.106 176.687 174.600 -0.031 0.000 1.029 196 S CA 0.497 58.677 58.200 -0.034 0.000 0.978 196 S CB -0.530 62.638 63.200 -0.053 0.000 0.833 196 S HN 0.193 nan 8.310 nan 0.000 0.466 197 L N 1.825 123.033 121.223 -0.025 0.000 1.990 197 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 197 L C 2.390 179.251 176.870 -0.016 0.000 1.072 197 L CA 1.800 56.628 54.840 -0.020 0.000 0.755 197 L CB -0.783 41.268 42.059 -0.013 0.000 0.889 197 L HN 0.256 nan 8.230 nan 0.000 0.432 198 D N -0.579 119.813 120.400 -0.014 0.000 2.144 198 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 198 D C 2.296 178.589 176.300 -0.012 0.000 0.978 198 D CA 1.233 55.226 54.000 -0.011 0.000 0.833 198 D CB -0.122 40.673 40.800 -0.008 0.000 0.961 198 D HN 0.311 nan 8.370 nan 0.000 0.470 199 M N 0.311 119.902 119.600 -0.015 0.000 2.213 199 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 199 M C 1.415 177.705 176.300 -0.017 0.000 1.062 199 M CA 1.039 56.330 55.300 -0.016 0.000 1.105 199 M CB 0.129 32.718 32.600 -0.018 0.000 1.385 199 M HN -0.143 nan 8.290 nan 0.000 0.417 200 E N -0.442 119.746 120.200 -0.020 0.000 2.502 200 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 200 E C 1.271 177.862 176.600 -0.015 0.000 1.062 200 E CA 0.661 57.049 56.400 -0.020 0.000 0.867 200 E CB 0.229 29.914 29.700 -0.025 0.000 0.888 200 E HN 0.645 nan 8.360 nan 0.000 0.510 201 G N 0.770 109.562 108.800 -0.012 0.000 2.175 201 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 201 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 201 G C 0.702 175.597 174.900 -0.009 0.000 0.982 201 G CA 0.199 45.294 45.100 -0.009 0.000 0.641 201 G HN 0.331 nan 8.290 nan 0.000 0.527 202 C N 2.819 122.113 119.300 -0.010 0.000 2.439 202 C HA 0.459 4.918 4.460 -0.000 0.000 0.411 202 C C 2.327 177.313 174.990 -0.007 0.000 1.337 202 C CA 0.487 59.500 59.018 -0.008 0.000 1.716 202 C CB -1.836 25.898 27.740 -0.010 0.000 2.332 202 C HN 0.710 nan 8.230 nan 0.000 0.594 203 T N -3.478 111.072 114.554 -0.006 0.000 3.072 203 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 203 T C 1.139 175.837 174.700 -0.004 0.000 1.127 203 T CA 1.405 63.502 62.100 -0.005 0.000 1.107 203 T CB -0.107 68.758 68.868 -0.005 0.000 0.910 203 T HN 0.398 nan 8.240 nan 0.000 0.513 204 D N 1.410 121.808 120.400 -0.004 0.000 2.305 204 D HA 0.082 4.722 4.640 -0.000 0.000 0.206 204 D C 0.299 176.597 176.300 -0.003 0.000 0.974 204 D CA 0.459 54.457 54.000 -0.003 0.000 0.871 204 D CB -0.171 40.628 40.800 -0.002 0.000 0.947 204 D HN 0.352 nan 8.370 nan 0.000 0.516 205 T N 0.505 115.057 114.554 -0.003 0.000 2.870 205 T HA 0.270 4.619 4.350 -0.000 0.000 0.300 205 T C 0.279 174.977 174.700 -0.003 0.000 0.989 205 T CA -0.195 61.904 62.100 -0.002 0.000 1.139 205 T CB 1.266 70.133 68.868 -0.002 0.000 0.920 205 T HN -0.151 nan 8.240 nan 0.000 0.537 206 S N 2.372 118.070 115.700 -0.004 0.000 2.646 206 S HA 0.538 5.008 4.470 -0.000 0.000 0.276 206 S C 0.117 174.715 174.600 -0.004 0.000 1.222 206 S CA -0.782 57.414 58.200 -0.007 0.000 1.014 206 S CB 0.619 63.812 63.200 -0.012 0.000 0.991 206 S HN 0.524 nan 8.310 nan 0.000 0.533 207 I N 2.484 123.051 120.570 -0.004 0.000 2.382 207 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 207 I C -1.056 175.053 176.117 -0.013 0.000 1.002 207 I CA -0.707 60.594 61.300 0.002 0.000 1.135 207 I CB 1.447 39.452 38.000 0.009 0.000 1.288 207 I HN 0.314 nan 8.210 nan 0.000 0.448 208 L N 7.740 128.951 121.223 -0.021 0.000 2.270 208 L HA 0.580 4.920 4.340 -0.000 0.000 0.286 208 L C 0.286 177.112 176.870 -0.074 0.000 1.059 208 L CA -0.299 54.498 54.840 -0.073 0.000 0.839 208 L CB 0.530 42.522 42.059 -0.113 0.000 1.221 208 L HN 0.640 nan 8.230 nan 0.000 0.431 209 A N 4.801 127.586 122.820 -0.058 0.000 2.362 209 A HA 0.307 4.627 4.320 -0.000 0.000 0.276 209 A C -0.811 176.742 177.584 -0.051 0.000 1.153 209 A CA -0.205 51.832 52.037 0.000 0.000 0.813 209 A CB -0.282 18.726 19.000 0.013 0.000 1.081 209 A HN 0.626 nan 8.150 nan 0.000 0.507 210 Y N 3.201 123.518 120.300 0.028 0.000 2.568 210 Y HA 0.114 4.664 4.550 -0.000 0.000 0.338 210 Y C 1.693 177.598 175.900 0.008 0.000 1.245 210 Y CA 0.548 58.664 58.100 0.027 0.000 1.667 210 Y CB 0.481 38.956 38.460 0.025 0.000 1.568 210 Y HN 0.785 nan 8.280 nan 0.000 0.471 211 S N 0.719 116.467 115.700 0.080 0.000 2.336 211 S HA -0.079 4.391 4.470 -0.000 0.000 0.216 211 S C 0.545 175.148 174.600 0.006 0.000 1.032 211 S CA 0.668 58.892 58.200 0.041 0.000 0.973 211 S CB 0.041 63.253 63.200 0.020 0.000 0.888 211 S HN 0.583 nan 8.310 nan 0.000 0.455 212 C N 2.964 122.262 119.300 -0.003 0.000 2.376 212 C HA 0.523 4.983 4.460 -0.000 0.000 0.341 212 C C -0.048 174.863 174.990 -0.131 0.000 1.106 212 C CA -1.205 57.749 59.018 -0.105 0.000 1.631 212 C CB -1.138 26.610 27.740 0.015 0.000 1.649 212 C HN 0.354 nan 8.230 nan 0.000 0.456 213 K N 2.220 122.522 120.400 -0.163 0.000 2.293 213 K HA 0.474 4.794 4.320 -0.000 0.000 0.267 213 K C -1.154 175.333 176.600 -0.188 0.000 1.010 213 K CA -0.273 55.978 56.287 -0.060 0.000 0.875 213 K CB 0.661 33.198 32.500 0.062 0.000 1.106 213 K HN 0.523 nan 8.250 nan 0.000 0.450 214 Y N 1.231 121.488 120.300 -0.071 0.000 2.335 214 Y HA 0.313 4.863 4.550 -0.000 0.000 0.323 214 Y C 0.661 176.575 175.900 0.024 0.000 1.224 214 Y CA -0.647 57.394 58.100 -0.099 0.000 1.241 214 Y CB 1.577 39.812 38.460 -0.374 0.000 1.235 214 Y HN 0.650 nan 8.280 nan 0.000 0.492 215 A N 2.357 125.279 122.820 0.169 0.000 2.915 215 A HA 0.336 4.656 4.320 -0.000 0.000 0.292 215 A C 0.242 177.879 177.584 0.089 0.000 1.632 215 A CA -0.043 52.059 52.037 0.108 0.000 1.337 215 A CB -0.823 18.199 19.000 0.035 0.000 1.111 215 A HN 0.516 nan 8.150 nan 0.000 0.569 216 S N 0.803 116.497 115.700 -0.010 0.000 2.651 216 S HA 0.461 4.931 4.470 -0.000 0.000 0.291 216 S C 1.173 175.639 174.600 -0.224 0.000 1.141 216 S CA 0.066 58.178 58.200 -0.147 0.000 1.027 216 S CB 1.003 63.977 63.200 -0.377 0.000 1.043 216 S HN 0.998 nan 8.310 nan 0.000 0.530 217 S N 2.073 117.651 115.700 -0.204 0.000 2.597 217 S HA 0.259 4.729 4.470 -0.000 0.000 0.224 217 S C 0.349 174.742 174.600 -0.346 0.000 0.955 217 S CA -0.266 57.786 58.200 -0.247 0.000 0.933 217 S CB -0.577 62.480 63.200 -0.237 0.000 0.788 217 S HN 0.628 nan 8.310 nan 0.000 0.488 218 F N 0.752 120.557 119.950 -0.241 0.000 2.773 218 F HA 0.333 4.860 4.527 -0.000 0.000 0.304 218 F C 0.686 176.447 175.800 -0.065 0.000 1.129 218 F CA -0.332 57.590 58.000 -0.131 0.000 1.378 218 F CB -0.281 38.670 39.000 -0.081 0.000 1.095 218 F HN 0.252 nan 8.300 nan 0.000 0.565 219 Y N -1.123 119.260 120.300 0.139 0.000 2.457 219 Y HA 0.293 4.843 4.550 -0.000 0.000 0.263 219 Y C 2.246 178.187 175.900 0.068 0.000 1.164 219 Y CA -0.400 57.733 58.100 0.055 0.000 1.274 219 Y CB -1.109 37.323 38.460 -0.045 0.000 1.097 219 Y HN 0.043 nan 8.280 nan 0.000 0.523 220 G N 1.892 110.809 108.800 0.195 0.000 2.513 220 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 220 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 220 G C -0.595 174.384 174.900 0.132 0.000 1.160 220 G CA 0.938 46.150 45.100 0.187 0.000 0.767 220 G HN 0.291 nan 8.290 nan 0.000 0.571 221 P HA -0.031 nan 4.420 nan 0.000 0.219 221 P C 1.527 178.787 177.300 -0.066 0.000 1.150 221 P CA 0.425 63.543 63.100 0.030 0.000 0.814 221 P CB -0.099 31.630 31.700 0.049 0.000 0.787 222 F N 1.167 121.027 119.950 -0.151 0.000 2.102 222 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 222 F C 2.140 177.759 175.800 -0.302 0.000 1.105 222 F CA 1.535 59.401 58.000 -0.223 0.000 1.239 222 F CB -0.343 38.582 39.000 -0.126 0.000 0.991 222 F HN -0.292 nan 8.300 nan 0.000 0.474 223 R N 0.319 120.753 120.500 -0.111 0.000 2.120 223 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 223 R C 1.856 177.857 176.300 -0.499 0.000 1.123 223 R CA 1.483 57.313 56.100 -0.450 0.000 0.975 223 R CB -0.626 29.202 30.300 -0.786 0.000 0.866 223 R HN 0.355 nan 8.270 nan 0.000 0.446 224 D N 0.793 121.048 120.400 -0.243 0.000 2.097 224 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 224 D C 1.851 177.978 176.300 -0.288 0.000 0.989 224 D CA 1.624 55.563 54.000 -0.101 0.000 0.827 224 D CB -0.240 40.536 40.800 -0.040 0.000 0.966 224 D HN 0.247 nan 8.370 nan 0.000 0.456 225 A N 0.202 122.724 122.820 -0.497 0.000 1.972 225 A HA -0.120 4.199 4.320 -0.000 0.000 0.219 225 A C 1.940 179.132 177.584 -0.653 0.000 1.169 225 A CA 1.029 52.620 52.037 -0.742 0.000 0.635 225 A CB -0.263 17.902 19.000 -1.393 0.000 0.810 225 A HN 0.154 nan 8.150 nan 0.000 0.446 226 L N -1.079 119.774 121.223 -0.617 0.000 2.607 226 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 226 L C 0.269 176.978 176.870 -0.268 0.000 1.123 226 L CA 0.632 55.215 54.840 -0.427 0.000 0.890 226 L CB -0.529 41.236 42.059 -0.490 0.000 1.103 226 L HN 0.483 nan 8.230 nan 0.000 0.468 227 D N -0.116 120.145 120.400 -0.232 0.000 2.737 227 D HA -0.208 4.432 4.640 -0.000 0.000 0.238 227 D C 0.676 176.915 176.300 -0.102 0.000 1.157 227 D CA 0.874 54.807 54.000 -0.112 0.000 0.694 227 D CB -0.655 40.098 40.800 -0.079 0.000 1.021 227 D HN 0.400 nan 8.370 nan 0.000 0.420 228 S N -0.599 115.001 115.700 -0.166 0.000 2.846 228 S HA 0.106 4.576 4.470 -0.000 0.000 0.249 228 S C 0.476 174.997 174.600 -0.131 0.000 1.028 228 S CA -0.727 57.388 58.200 -0.141 0.000 1.043 228 S CB 0.122 63.230 63.200 -0.154 0.000 0.990 228 S HN 0.376 nan 8.310 nan 0.000 0.564 229 H N 1.696 120.729 119.070 -0.061 0.000 2.871 229 H HA 0.172 4.727 4.556 -0.000 0.000 0.355 229 H C 0.305 175.581 175.328 -0.088 0.000 1.092 229 H CA 0.344 56.359 56.048 -0.056 0.000 1.420 229 H CB 0.348 30.082 29.762 -0.046 0.000 1.400 229 H HN 0.298 nan 8.280 nan 0.000 0.604 230 M N 2.202 121.804 119.600 0.003 0.000 2.251 230 M HA 0.042 4.522 4.480 -0.000 0.000 0.343 230 M C 0.769 177.044 176.300 -0.042 0.000 1.245 230 M CA 0.347 55.561 55.300 -0.144 0.000 1.061 230 M CB -0.066 32.423 32.600 -0.185 0.000 1.723 230 M HN 0.468 nan 8.290 nan 0.000 0.449 231 V N 2.851 122.740 119.914 -0.042 0.000 2.715 231 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 231 V C 1.275 177.397 176.094 0.047 0.000 1.054 231 V CA 0.113 62.424 62.300 0.019 0.000 1.077 231 V CB -0.229 31.619 31.823 0.041 0.000 0.972 231 V HN 1.118 nan 8.190 nan 0.000 0.484 232 G N 3.054 111.875 108.800 0.036 0.000 2.295 232 G HA2 0.203 4.163 3.960 -0.000 0.000 0.287 232 G HA3 0.203 4.163 3.960 -0.000 0.000 0.287 232 G C 1.497 176.425 174.900 0.047 0.000 1.055 232 G CA 1.140 46.264 45.100 0.040 0.000 0.922 232 G HN 3.107 nan 8.290 nan 0.000 0.503 233 G N -1.872 106.951 108.800 0.038 0.000 2.184 233 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.264 233 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.264 233 G C 1.165 176.101 174.900 0.061 0.000 0.975 233 G CA 1.672 46.795 45.100 0.038 0.000 0.642 233 G HN 2.527 nan 8.290 nan 0.000 0.536 234 T N -0.793 113.820 114.554 0.098 0.000 2.766 234 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 234 T C 0.019 174.813 174.700 0.157 0.000 1.024 234 T CA 0.610 62.802 62.100 0.153 0.000 1.018 234 T CB 1.773 70.818 68.868 0.295 0.000 1.002 234 T HN 0.915 nan 8.240 nan 0.000 0.532 235 D N -1.430 119.079 120.400 0.182 0.000 2.592 235 D HA 0.350 4.990 4.640 -0.000 0.000 0.263 235 D C -0.283 176.104 176.300 0.145 0.000 1.132 235 D CA -1.139 52.944 54.000 0.137 0.000 0.996 235 D CB 1.202 42.037 40.800 0.059 0.000 1.442 235 D HN 0.508 nan 8.370 nan 0.000 0.486 236 K N -0.542 119.844 120.400 -0.022 0.000 2.446 236 K HA 0.169 4.488 4.320 -0.000 0.000 0.203 236 K C 0.697 177.039 176.600 -0.430 0.000 1.027 236 K CA -0.173 55.882 56.287 -0.387 0.000 1.166 236 K CB 0.299 32.492 32.500 -0.512 0.000 0.869 236 K HN 0.271 nan 8.250 nan 0.000 0.504 237 K N 0.521 120.830 120.400 -0.152 0.000 2.442 237 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 237 K C 1.808 178.375 176.600 -0.056 0.000 1.042 237 K CA 1.418 57.654 56.287 -0.084 0.000 0.958 237 K CB 0.016 32.507 32.500 -0.015 0.000 0.766 237 K HN 0.218 nan 8.250 nan 0.000 0.474 238 T N -1.855 112.679 114.554 -0.034 0.000 3.113 238 T HA -0.062 4.288 4.350 -0.000 0.000 0.256 238 T C 1.423 176.219 174.700 0.161 0.000 1.131 238 T CA 0.449 62.589 62.100 0.067 0.000 1.074 238 T CB -0.175 68.757 68.868 0.106 0.000 0.944 238 T HN 0.393 nan 8.240 nan 0.000 0.516 239 Y N -0.551 119.758 120.300 0.015 0.000 2.731 239 Y HA 0.506 5.056 4.550 -0.000 0.000 0.269 239 Y C 0.801 176.701 175.900 0.001 0.000 1.156 239 Y CA -1.237 56.866 58.100 0.006 0.000 1.191 239 Y CB -0.110 38.353 38.460 0.004 0.000 1.382 239 Y HN 0.073 nan 8.280 nan 0.000 0.477 240 Q N 1.855 121.542 119.800 -0.188 0.000 2.394 240 Q HA 0.336 4.676 4.340 -0.000 0.000 0.248 240 Q C -0.678 175.279 176.000 -0.072 0.000 0.992 240 Q CA -0.160 55.577 55.803 -0.109 0.000 0.888 240 Q CB 1.266 29.926 28.738 -0.131 0.000 1.257 240 Q HN 0.310 nan 8.270 nan 0.000 0.462 241 M N 1.515 121.049 119.600 -0.110 0.000 2.242 241 M HA 0.043 4.522 4.480 -0.000 0.000 0.344 241 M C -0.022 176.347 176.300 0.116 0.000 1.140 241 M CA -0.359 54.881 55.300 -0.099 0.000 1.160 241 M CB 0.589 32.930 32.600 -0.431 0.000 1.491 241 M HN 0.510 nan 8.290 nan 0.000 0.459 242 D N 3.731 124.222 120.400 0.152 0.000 2.434 242 D HA 0.066 4.706 4.640 -0.000 0.000 0.252 242 D C -1.852 174.678 176.300 0.383 0.000 1.185 242 D CA -1.555 52.570 54.000 0.208 0.000 0.886 242 D CB 1.072 41.955 40.800 0.137 0.000 1.148 242 D HN 0.230 nan 8.370 nan 0.000 0.483 243 P HA -0.057 nan 4.420 nan 0.000 0.228 243 P C 0.932 178.322 177.300 0.150 0.000 1.151 243 P CA 0.655 63.920 63.100 0.275 0.000 0.770 243 P CB 0.273 32.105 31.700 0.221 0.000 0.786 244 S N -1.491 114.296 115.700 0.145 0.000 2.474 244 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 244 S C 0.820 175.489 174.600 0.115 0.000 0.997 244 S CA 0.735 58.992 58.200 0.095 0.000 0.949 244 S CB -0.626 62.621 63.200 0.077 0.000 0.766 244 S HN 0.250 nan 8.310 nan 0.000 0.517 245 N N 0.725 119.540 118.700 0.193 0.000 2.400 245 N HA 0.333 5.073 4.740 -0.000 0.000 0.288 245 N C 0.561 176.218 175.510 0.246 0.000 1.024 245 N CA -0.177 52.986 53.050 0.189 0.000 0.894 245 N CB 1.877 40.470 38.487 0.177 0.000 1.173 245 N HN 0.176 nan 8.380 nan 0.000 0.487 246 S N 1.748 117.548 115.700 0.167 0.000 2.566 246 S HA 0.025 4.495 4.470 -0.000 0.000 0.234 246 S C 1.610 176.291 174.600 0.134 0.000 1.075 246 S CA -0.165 58.138 58.200 0.172 0.000 0.926 246 S CB 0.161 63.430 63.200 0.114 0.000 0.811 246 S HN 0.549 nan 8.310 nan 0.000 0.518 247 R N 1.567 122.125 120.500 0.097 0.000 2.105 247 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 247 R C 2.229 178.571 176.300 0.069 0.000 1.135 247 R CA 1.770 57.914 56.100 0.072 0.000 0.967 247 R CB -0.472 29.862 30.300 0.056 0.000 0.861 247 R HN 0.670 nan 8.270 nan 0.000 0.442 248 E N -0.204 120.041 120.200 0.076 0.000 2.160 248 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 248 E C 1.696 178.323 176.600 0.045 0.000 0.991 248 E CA 1.156 57.590 56.400 0.056 0.000 0.810 248 E CB -0.081 29.653 29.700 0.058 0.000 0.742 248 E HN 0.536 nan 8.360 nan 0.000 0.466 249 A N 0.916 123.780 122.820 0.073 0.000 1.933 249 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 249 A C 1.852 179.467 177.584 0.051 0.000 1.175 249 A CA 1.448 53.522 52.037 0.060 0.000 0.628 249 A CB -0.372 18.710 19.000 0.137 0.000 0.814 249 A HN 0.292 nan 8.150 nan 0.000 0.444 250 E N -0.823 119.411 120.200 0.056 0.000 2.150 250 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 250 E C 2.257 178.877 176.600 0.032 0.000 0.985 250 E CA 0.774 57.201 56.400 0.044 0.000 0.814 250 E CB -0.127 29.600 29.700 0.044 0.000 0.752 250 E HN 0.554 nan 8.360 nan 0.000 0.466 251 R N 0.784 121.302 120.500 0.030 0.000 2.075 251 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 251 R C 1.973 178.284 176.300 0.018 0.000 1.126 251 R CA 1.104 57.218 56.100 0.023 0.000 0.963 251 R CB 0.172 30.486 30.300 0.023 0.000 0.858 251 R HN 0.096 nan 8.270 nan 0.000 0.435 252 E N -0.021 120.187 120.200 0.014 0.000 2.072 252 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 252 E C 1.873 178.482 176.600 0.015 0.000 0.982 252 E CA 1.057 57.462 56.400 0.009 0.000 0.803 252 E CB -0.122 29.574 29.700 -0.008 0.000 0.755 252 E HN 0.370 nan 8.360 nan 0.000 0.453 253 A N 1.625 124.457 122.820 0.019 0.000 1.877 253 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 253 A C 2.400 179.994 177.584 0.018 0.000 1.186 253 A CA 2.674 54.723 52.037 0.021 0.000 0.620 253 A CB -0.942 18.076 19.000 0.029 0.000 0.822 253 A HN 0.353 nan 8.150 nan 0.000 0.443 254 E N -0.352 119.860 120.200 0.019 0.000 2.085 254 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 254 E C 2.297 178.905 176.600 0.014 0.000 0.994 254 E CA 2.155 58.564 56.400 0.016 0.000 0.801 254 E CB -1.181 28.529 29.700 0.017 0.000 0.743 254 E HN 1.030 nan 8.360 nan 0.000 0.453 255 A N 1.228 124.057 122.820 0.014 0.000 1.898 255 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 255 A C 2.082 179.674 177.584 0.013 0.000 1.181 255 A CA 1.813 53.858 52.037 0.013 0.000 0.620 255 A CB -0.256 18.753 19.000 0.014 0.000 0.819 255 A HN 0.428 nan 8.150 nan 0.000 0.442 256 D N -0.132 120.276 120.400 0.014 0.000 2.224 256 D HA 0.054 4.694 4.640 -0.000 0.000 0.205 256 D C 2.139 178.445 176.300 0.009 0.000 0.965 256 D CA 1.209 55.217 54.000 0.013 0.000 0.852 256 D CB -0.245 40.564 40.800 0.015 0.000 0.947 256 D HN 0.424 nan 8.370 nan 0.000 0.494 257 A N 0.807 123.632 122.820 0.008 0.000 1.897 257 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 257 A C 2.262 179.849 177.584 0.006 0.000 1.181 257 A CA 1.900 53.941 52.037 0.006 0.000 0.620 257 A CB -0.518 18.487 19.000 0.007 0.000 0.821 257 A HN 0.292 nan 8.150 nan 0.000 0.443 258 S N -0.486 115.218 115.700 0.007 0.000 2.522 258 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 258 S C 1.294 175.898 174.600 0.006 0.000 0.986 258 S CA 1.082 59.286 58.200 0.007 0.000 0.929 258 S CB -0.245 62.959 63.200 0.008 0.000 0.769 258 S HN 0.643 nan 8.310 nan 0.000 0.529 259 E N 0.626 120.830 120.200 0.007 0.000 2.478 259 E HA 0.252 4.602 4.350 -0.000 0.000 0.194 259 E C 1.082 177.685 176.600 0.005 0.000 1.045 259 E CA 0.273 56.677 56.400 0.007 0.000 0.868 259 E CB 0.075 29.781 29.700 0.009 0.000 0.885 259 E HN 0.735 nan 8.360 nan 0.000 0.505 260 G N 1.007 109.809 108.800 0.004 0.000 2.154 260 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.186 260 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.186 260 G C 0.316 175.216 174.900 0.001 0.000 1.000 260 G CA -0.171 44.930 45.100 0.002 0.000 0.664 260 G HN 0.406 nan 8.290 nan 0.000 0.513 261 A N 0.082 122.903 122.820 0.001 0.000 2.520 261 A HA 0.488 4.808 4.320 -0.000 0.000 0.235 261 A C 1.212 178.791 177.584 -0.008 0.000 1.065 261 A CA 1.056 53.091 52.037 -0.002 0.000 0.764 261 A CB 0.296 19.295 19.000 -0.002 0.000 1.002 261 A HN 0.261 nan 8.150 nan 0.000 0.502 262 D N 0.575 120.968 120.400 -0.013 0.000 2.277 262 D HA 0.128 4.768 4.640 -0.000 0.000 0.209 262 D C 0.260 176.546 176.300 -0.024 0.000 0.970 262 D CA 1.187 55.177 54.000 -0.016 0.000 0.874 262 D CB 0.151 40.941 40.800 -0.017 0.000 0.982 262 D HN 0.622 nan 8.370 nan 0.000 0.504 263 M N 0.496 120.076 119.600 -0.034 0.000 2.520 263 M HA 0.383 4.862 4.480 -0.000 0.000 0.283 263 M C -1.384 174.883 176.300 -0.055 0.000 1.237 263 M CA -0.604 54.669 55.300 -0.045 0.000 0.885 263 M CB 3.282 35.844 32.600 -0.063 0.000 1.727 263 M HN -0.303 nan 8.290 nan 0.000 0.468 264 L N 2.105 123.296 121.223 -0.052 0.000 2.329 264 L HA 0.704 5.044 4.340 -0.000 0.000 0.279 264 L C -0.867 175.956 176.870 -0.078 0.000 1.014 264 L CA -0.699 54.110 54.840 -0.052 0.000 0.814 264 L CB 2.022 44.072 42.059 -0.016 0.000 1.257 264 L HN 0.683 nan 8.230 nan 0.000 0.424 265 M N 3.503 123.030 119.600 -0.121 0.000 2.364 265 M HA 0.572 5.052 4.480 -0.000 0.000 0.334 265 M C -1.373 174.923 176.300 -0.008 0.000 1.107 265 M CA -0.305 54.910 55.300 -0.143 0.000 0.988 265 M CB 1.801 34.122 32.600 -0.465 0.000 1.673 265 M HN 0.229 nan 8.290 nan 0.000 0.441 266 V N 5.087 125.045 119.914 0.074 0.000 2.459 266 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 266 V C -0.612 175.619 176.094 0.230 0.000 1.029 266 V CA -0.753 61.644 62.300 0.162 0.000 0.874 266 V CB 1.692 33.635 31.823 0.199 0.000 0.985 266 V HN 0.844 nan 8.190 nan 0.000 0.438 267 K N 5.638 126.181 120.400 0.238 0.000 2.557 267 K HA 0.495 4.815 4.320 -0.000 0.000 0.257 267 K C -3.058 173.631 176.600 0.148 0.000 0.933 267 K CA -1.445 55.006 56.287 0.272 0.000 0.820 267 K CB 3.274 35.981 32.500 0.346 0.000 1.330 267 K HN 0.319 nan 8.250 nan 0.000 0.432 268 P HA 0.136 nan 4.420 nan 0.000 0.306 268 P C -0.004 177.520 177.300 0.373 0.000 1.301 268 P CA -0.002 63.248 63.100 0.250 0.000 0.744 268 P CB 0.536 32.351 31.700 0.192 0.000 1.400 269 G N -1.165 107.899 108.800 0.440 0.000 2.598 269 G HA2 0.046 4.006 3.960 -0.000 0.000 0.225 269 G HA3 0.046 4.006 3.960 -0.000 0.000 0.225 269 G C 1.313 176.385 174.900 0.286 0.000 1.631 269 G CA -0.039 45.417 45.100 0.594 0.000 0.821 269 G HN 0.295 nan 8.290 nan 0.000 0.610 270 L N 1.323 122.589 121.223 0.072 0.000 2.083 270 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 270 L C -0.425 176.335 176.870 -0.184 0.000 1.083 270 L CA 1.093 55.793 54.840 -0.232 0.000 0.752 270 L CB -0.890 41.034 42.059 -0.225 0.000 0.899 270 L HN 0.226 nan 8.230 nan 0.000 0.433 271 P HA -0.082 nan 4.420 nan 0.000 0.249 271 P C -0.129 176.745 177.300 -0.711 0.000 1.241 271 P CA 1.060 63.909 63.100 -0.417 0.000 0.781 271 P CB -0.055 31.344 31.700 -0.503 0.000 1.088 272 Y N -1.909 118.329 120.300 -0.103 0.000 2.719 272 Y HA 0.270 4.820 4.550 -0.000 0.000 0.251 272 Y C 1.622 177.509 175.900 -0.022 0.000 1.159 272 Y CA -0.262 57.789 58.100 -0.082 0.000 1.166 272 Y CB -0.238 38.193 38.460 -0.048 0.000 1.219 272 Y HN -0.204 nan 8.280 nan 0.000 0.551 273 L N 0.610 121.835 121.223 0.005 0.000 2.265 273 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 273 L C 2.022 178.905 176.870 0.021 0.000 1.117 273 L CA 1.542 56.382 54.840 -0.001 0.000 0.782 273 L CB -0.238 41.760 42.059 -0.102 0.000 0.914 273 L HN 0.438 nan 8.230 nan 0.000 0.441 274 D N -0.096 120.306 120.400 0.004 0.000 2.144 274 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 274 D C 2.050 178.391 176.300 0.070 0.000 0.978 274 D CA 1.124 55.136 54.000 0.019 0.000 0.833 274 D CB -0.561 40.234 40.800 -0.008 0.000 0.961 274 D HN 0.215 nan 8.370 nan 0.000 0.470 275 V N 0.891 120.879 119.914 0.124 0.000 2.307 275 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 275 V C 2.673 178.857 176.094 0.151 0.000 1.045 275 V CA 1.070 63.476 62.300 0.176 0.000 1.024 275 V CB -0.701 31.307 31.823 0.307 0.000 0.651 275 V HN 0.119 nan 8.190 nan 0.000 0.449 276 L N 1.241 122.558 121.223 0.157 0.000 1.997 276 L HA -0.228 4.112 4.340 -0.000 0.000 0.216 276 L C 2.472 179.395 176.870 0.089 0.000 1.074 276 L CA 2.669 57.587 54.840 0.130 0.000 0.763 276 L CB -1.114 41.034 42.059 0.148 0.000 0.890 276 L HN 0.258 nan 8.230 nan 0.000 0.434 277 A N -0.903 121.959 122.820 0.070 0.000 1.933 277 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 277 A C 2.551 180.163 177.584 0.047 0.000 1.175 277 A CA 2.699 54.765 52.037 0.047 0.000 0.628 277 A CB -0.962 18.055 19.000 0.030 0.000 0.814 277 A HN 0.490 nan 8.150 nan 0.000 0.444 278 K N -0.061 120.373 120.400 0.057 0.000 2.002 278 K HA -0.038 4.282 4.320 -0.000 0.000 0.209 278 K C 1.717 178.348 176.600 0.052 0.000 1.048 278 K CA 1.712 58.031 56.287 0.053 0.000 0.930 278 K CB -0.993 31.546 32.500 0.065 0.000 0.714 278 K HN 0.405 nan 8.250 nan 0.000 0.438 279 I N 1.010 121.617 120.570 0.063 0.000 2.394 279 I HA -0.110 4.059 4.170 -0.000 0.000 0.251 279 I C 2.518 178.660 176.117 0.041 0.000 1.136 279 I CA 1.235 62.567 61.300 0.054 0.000 1.425 279 I CB -0.971 37.067 38.000 0.063 0.000 1.079 279 I HN 0.346 nan 8.210 nan 0.000 0.425 280 R N 1.743 122.269 120.500 0.042 0.000 2.091 280 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 280 R C 2.103 178.418 176.300 0.025 0.000 1.136 280 R CA 1.710 57.829 56.100 0.032 0.000 0.959 280 R CB -0.546 29.775 30.300 0.034 0.000 0.856 280 R HN 0.269 nan 8.270 nan 0.000 0.437 281 E N -0.158 120.058 120.200 0.026 0.000 2.077 281 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 281 E C 1.423 178.035 176.600 0.020 0.000 0.989 281 E CA 1.451 57.864 56.400 0.021 0.000 0.800 281 E CB 0.153 29.866 29.700 0.022 0.000 0.746 281 E HN 0.161 nan 8.360 nan 0.000 0.452 282 K N -0.209 120.205 120.400 0.023 0.000 2.128 282 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 282 K C 1.062 177.673 176.600 0.018 0.000 1.050 282 K CA 0.170 56.470 56.287 0.021 0.000 0.966 282 K CB -0.175 32.341 32.500 0.026 0.000 0.759 282 K HN -0.056 nan 8.250 nan 0.000 0.454 283 S N 1.120 116.831 115.700 0.019 0.000 2.592 283 S HA 0.125 4.595 4.470 -0.000 0.000 0.271 283 S C 0.714 175.320 174.600 0.011 0.000 1.326 283 S CA -0.278 57.931 58.200 0.015 0.000 1.024 283 S CB 0.628 63.837 63.200 0.015 0.000 0.921 283 S HN -0.017 nan 8.310 nan 0.000 0.527 284 K N 2.541 122.945 120.400 0.008 0.000 2.397 284 K HA 0.339 4.659 4.320 -0.000 0.000 0.202 284 K C -0.234 176.367 176.600 0.002 0.000 1.022 284 K CA 0.112 56.402 56.287 0.005 0.000 1.141 284 K CB -0.232 32.271 32.500 0.005 0.000 0.857 284 K HN 0.490 nan 8.250 nan 0.000 0.514 285 L N 1.779 123.002 121.223 0.001 0.000 2.344 285 L HA 0.376 4.716 4.340 -0.000 0.000 0.272 285 L C -2.192 174.674 176.870 -0.007 0.000 1.035 285 L CA -2.282 52.556 54.840 -0.004 0.000 0.807 285 L CB 0.879 42.934 42.059 -0.006 0.000 1.237 285 L HN -0.206 nan 8.230 nan 0.000 0.442 286 P HA 0.131 nan 4.420 nan 0.000 0.268 286 P C -0.807 176.480 177.300 -0.021 0.000 1.205 286 P CA -0.029 63.060 63.100 -0.017 0.000 0.771 286 P CB 0.471 32.156 31.700 -0.025 0.000 0.858 287 M N 2.069 121.660 119.600 -0.015 0.000 2.336 287 M HA 0.388 4.867 4.480 -0.000 0.000 0.342 287 M C -0.617 175.667 176.300 -0.027 0.000 1.128 287 M CA -0.732 54.561 55.300 -0.011 0.000 1.016 287 M CB 1.546 34.155 32.600 0.016 0.000 1.665 287 M HN 0.016 nan 8.290 nan 0.000 0.445 288 V N 1.800 121.688 119.914 -0.043 0.000 2.656 288 V HA 0.864 4.984 4.120 -0.000 0.000 0.307 288 V C -0.182 175.894 176.094 -0.030 0.000 1.051 288 V CA -1.007 61.249 62.300 -0.073 0.000 0.893 288 V CB 1.738 33.480 31.823 -0.135 0.000 0.999 288 V HN 0.982 nan 8.190 nan 0.000 0.426 289 A N 3.137 125.939 122.820 -0.030 0.000 2.337 289 A HA 0.828 5.148 4.320 -0.000 0.000 0.331 289 A C -1.659 175.902 177.584 -0.039 0.000 1.137 289 A CA -0.531 51.539 52.037 0.056 0.000 0.807 289 A CB 1.210 20.344 19.000 0.223 0.000 1.250 289 A HN 0.758 nan 8.150 nan 0.000 0.468 290 Y N 1.295 121.611 120.300 0.027 0.000 2.334 290 Y HA 0.263 4.813 4.550 -0.000 0.000 0.336 290 Y C 0.285 176.286 175.900 0.169 0.000 0.960 290 Y CA -0.435 57.691 58.100 0.043 0.000 1.164 290 Y CB 0.710 39.260 38.460 0.150 0.000 1.155 290 Y HN 0.771 nan 8.280 nan 0.000 0.478 291 H N 6.495 125.688 119.070 0.204 0.000 3.067 291 H HA 0.394 4.949 4.556 -0.000 0.000 0.265 291 H C -0.163 175.503 175.328 0.563 0.000 1.234 291 H CA -0.492 55.779 56.048 0.372 0.000 1.452 291 H CB 0.239 30.107 29.762 0.178 0.000 1.527 291 H HN 0.604 nan 8.280 nan 0.000 0.486 292 V N 2.577 122.770 119.914 0.466 0.000 3.214 292 V HA 0.074 4.194 4.120 -0.000 0.000 0.306 292 V C 1.453 177.806 176.094 0.431 0.000 1.078 292 V CA 0.230 62.787 62.300 0.428 0.000 1.077 292 V CB 1.334 33.318 31.823 0.268 0.000 1.121 292 V HN 0.847 nan 8.190 nan 0.000 0.468 293 S N 1.544 117.519 115.700 0.459 0.000 2.365 293 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 293 S C 1.964 176.729 174.600 0.275 0.000 1.039 293 S CA 1.483 59.844 58.200 0.270 0.000 1.033 293 S CB -1.570 61.722 63.200 0.152 0.000 0.887 293 S HN 1.617 nan 8.310 nan 0.000 0.447 294 G N 1.726 110.705 108.800 0.299 0.000 2.442 294 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 294 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 294 G C 1.393 176.503 174.900 0.351 0.000 1.141 294 G CA 0.940 46.242 45.100 0.336 0.000 0.763 294 G HN 0.704 nan 8.290 nan 0.000 0.554 295 E N -0.789 119.576 120.200 0.275 0.000 2.072 295 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 295 E C 2.100 178.795 176.600 0.159 0.000 0.982 295 E CA 0.789 57.285 56.400 0.160 0.000 0.803 295 E CB -0.274 29.465 29.700 0.065 0.000 0.755 295 E HN 0.576 nan 8.360 nan 0.000 0.453 296 Y N 1.661 121.957 120.300 -0.006 0.000 2.181 296 Y HA -0.237 4.313 4.550 0.000 0.000 0.288 296 Y C 2.289 178.274 175.900 0.143 0.000 1.146 296 Y CA 1.501 59.663 58.100 0.102 0.000 1.164 296 Y CB -0.273 38.246 38.460 0.098 0.000 0.982 296 Y HN -0.006 nan 8.280 nan 0.000 0.515 297 A N 0.286 123.225 122.820 0.197 0.000 1.933 297 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 297 A C 2.263 179.877 177.584 0.050 0.000 1.175 297 A CA 1.933 54.019 52.037 0.082 0.000 0.628 297 A CB -0.755 18.328 19.000 0.138 0.000 0.814 297 A HN 0.615 nan 8.150 nan 0.000 0.444 298 M N -0.885 118.788 119.600 0.121 0.000 2.067 298 M HA -0.102 4.378 4.480 -0.000 0.000 0.260 298 M C 2.180 178.541 176.300 0.102 0.000 1.069 298 M CA 1.478 56.854 55.300 0.127 0.000 1.117 298 M CB -0.500 32.211 32.600 0.184 0.000 1.334 298 M HN 0.380 nan 8.290 nan 0.000 0.407 299 L N -0.105 121.195 121.223 0.128 0.000 2.012 299 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 299 L C 2.578 179.490 176.870 0.071 0.000 1.073 299 L CA 1.371 56.290 54.840 0.131 0.000 0.748 299 L CB -0.480 41.728 42.059 0.249 0.000 0.891 299 L HN 0.196 nan 8.230 nan 0.000 0.431 300 K N -0.188 120.204 120.400 -0.013 0.000 2.026 300 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 300 K C 2.024 178.595 176.600 -0.049 0.000 1.048 300 K CA 1.486 57.728 56.287 -0.076 0.000 0.929 300 K CB -0.376 31.932 32.500 -0.320 0.000 0.713 300 K HN 0.290 nan 8.250 nan 0.000 0.439 301 A N 0.406 123.201 122.820 -0.042 0.000 1.883 301 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 301 A C 2.341 179.860 177.584 -0.109 0.000 1.186 301 A CA 2.161 54.168 52.037 -0.050 0.000 0.624 301 A CB -1.074 17.921 19.000 -0.009 0.000 0.822 301 A HN 0.399 nan 8.150 nan 0.000 0.444 302 A N -0.441 122.343 122.820 -0.059 0.000 1.969 302 A HA 0.257 4.577 4.320 -0.000 0.000 0.218 302 A C 2.452 179.941 177.584 -0.159 0.000 1.169 302 A CA 1.784 53.759 52.037 -0.104 0.000 0.635 302 A CB -0.865 18.202 19.000 0.112 0.000 0.810 302 A HN 1.008 nan 8.150 nan 0.000 0.445 303 A N 0.007 122.788 122.820 -0.065 0.000 1.902 303 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 303 A C 1.906 179.442 177.584 -0.079 0.000 1.181 303 A CA 1.687 53.699 52.037 -0.042 0.000 0.623 303 A CB -0.493 18.521 19.000 0.022 0.000 0.818 303 A HN 0.610 nan 8.150 nan 0.000 0.443 304 E N -0.507 119.635 120.200 -0.098 0.000 2.150 304 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 304 E C 1.818 178.321 176.600 -0.161 0.000 0.985 304 E CA 1.045 57.389 56.400 -0.094 0.000 0.814 304 E CB -0.059 29.599 29.700 -0.071 0.000 0.752 304 E HN 0.543 nan 8.360 nan 0.000 0.466 305 K N -0.838 119.370 120.400 -0.320 0.000 2.418 305 K HA 0.024 4.344 4.320 -0.000 0.000 0.195 305 K C 0.953 177.330 176.600 -0.373 0.000 1.035 305 K CA 0.531 56.529 56.287 -0.481 0.000 1.003 305 K CB 0.555 32.422 32.500 -1.055 0.000 0.793 305 K HN 0.243 nan 8.250 nan 0.000 0.494 306 G N 0.478 109.137 108.800 -0.235 0.000 2.141 306 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 306 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 306 G C 0.399 175.359 174.900 0.100 0.000 0.982 306 G CA 0.109 45.182 45.100 -0.045 0.000 0.662 306 G HN 0.192 nan 8.290 nan 0.000 0.527 307 Y N 0.154 120.453 120.300 -0.001 0.000 2.337 307 Y HA 0.354 4.904 4.550 -0.000 0.000 0.293 307 Y C 1.998 177.891 175.900 -0.011 0.000 1.123 307 Y CA 0.379 58.476 58.100 -0.004 0.000 1.201 307 Y CB -0.188 38.273 38.460 0.001 0.000 1.011 307 Y HN 0.679 nan 8.280 nan 0.000 0.545 308 I N -3.609 117.043 120.570 0.137 0.000 3.042 308 I HA 0.595 4.765 4.170 -0.000 0.000 0.310 308 I C -0.089 176.032 176.117 0.006 0.000 1.117 308 I CA -1.417 59.918 61.300 0.057 0.000 1.003 308 I CB 2.174 40.205 38.000 0.052 0.000 1.228 308 I HN -0.251 nan 8.210 nan 0.000 0.443 309 S N 1.573 117.253 115.700 -0.033 0.000 2.489 309 S HA 0.188 4.658 4.470 -0.000 0.000 0.277 309 S C 0.759 175.299 174.600 -0.100 0.000 1.230 309 S CA -0.229 57.925 58.200 -0.076 0.000 1.053 309 S CB 1.021 64.154 63.200 -0.111 0.000 0.955 309 S HN 0.892 nan 8.310 nan 0.000 0.488 310 E N 3.820 123.963 120.200 -0.094 0.000 2.077 310 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 310 E C 1.835 178.306 176.600 -0.215 0.000 0.989 310 E CA 1.210 57.565 56.400 -0.076 0.000 0.800 310 E CB -0.081 29.648 29.700 0.048 0.000 0.746 310 E HN 0.826 nan 8.360 nan 0.000 0.452 311 K N 0.236 120.369 120.400 -0.444 0.000 2.025 311 K HA -0.163 4.156 4.320 -0.000 0.000 0.207 311 K C 1.661 177.955 176.600 -0.509 0.000 1.049 311 K CA 1.746 57.503 56.287 -0.883 0.000 0.933 311 K CB 0.026 31.829 32.500 -1.161 0.000 0.714 311 K HN 0.063 nan 8.250 nan 0.000 0.438 312 D N 0.181 120.357 120.400 -0.372 0.000 2.144 312 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 312 D C 1.989 178.176 176.300 -0.188 0.000 0.984 312 D CA 1.986 55.819 54.000 -0.278 0.000 0.834 312 D CB -0.337 40.334 40.800 -0.215 0.000 0.955 312 D HN 0.514 nan 8.370 nan 0.000 0.465 313 T N -1.403 113.060 114.554 -0.150 0.000 2.809 313 T HA -0.035 4.315 4.350 -0.000 0.000 0.260 313 T C 2.268 176.918 174.700 -0.083 0.000 1.039 313 T CA 0.713 62.757 62.100 -0.093 0.000 1.141 313 T CB -0.730 68.105 68.868 -0.055 0.000 0.869 313 T HN -0.049 nan 8.240 nan 0.000 0.437 314 V N 2.282 122.129 119.914 -0.112 0.000 2.287 314 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 314 V C 2.808 178.895 176.094 -0.012 0.000 1.053 314 V CA 1.766 64.004 62.300 -0.103 0.000 1.027 314 V CB -0.890 30.833 31.823 -0.167 0.000 0.646 314 V HN 0.455 nan 8.190 nan 0.000 0.447 315 L N -0.249 120.967 121.223 -0.011 0.000 2.141 315 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 315 L C 2.559 179.416 176.870 -0.021 0.000 1.094 315 L CA 1.775 56.619 54.840 0.006 0.000 0.763 315 L CB -0.567 41.449 42.059 -0.071 0.000 0.908 315 L HN 0.459 nan 8.230 nan 0.000 0.437 316 E N 0.262 120.427 120.200 -0.058 0.000 2.106 316 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 316 E C 2.240 178.815 176.600 -0.041 0.000 0.984 316 E CA 1.014 57.382 56.400 -0.053 0.000 0.806 316 E CB 0.202 29.860 29.700 -0.070 0.000 0.750 316 E HN 0.234 nan 8.360 nan 0.000 0.458 317 V N 1.275 121.166 119.914 -0.038 0.000 2.307 317 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 317 V C 2.397 178.524 176.094 0.055 0.000 1.045 317 V CA 1.477 63.744 62.300 -0.055 0.000 1.024 317 V CB -0.363 31.426 31.823 -0.057 0.000 0.651 317 V HN 0.357 nan 8.190 nan 0.000 0.449 318 L N -0.302 120.981 121.223 0.101 0.000 2.093 318 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 318 L C 2.566 179.512 176.870 0.126 0.000 1.085 318 L CA 1.507 56.444 54.840 0.162 0.000 0.755 318 L CB -0.612 41.500 42.059 0.089 0.000 0.904 318 L HN 0.280 nan 8.230 nan 0.000 0.435 319 K N 0.346 120.784 120.400 0.063 0.000 2.057 319 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 319 K C 2.196 178.812 176.600 0.027 0.000 1.049 319 K CA 1.655 57.967 56.287 0.040 0.000 0.931 319 K CB -0.269 32.242 32.500 0.018 0.000 0.714 319 K HN 0.044 nan 8.250 nan 0.000 0.440 320 S N 0.080 115.772 115.700 -0.014 0.000 2.353 320 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 320 S C 1.685 176.253 174.600 -0.054 0.000 1.035 320 S CA 1.501 59.655 58.200 -0.077 0.000 1.025 320 S CB -0.526 62.567 63.200 -0.178 0.000 0.902 320 S HN 0.294 nan 8.310 nan 0.000 0.440 321 F N 1.388 121.313 119.950 -0.041 0.000 2.115 321 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 321 F C 2.574 178.363 175.800 -0.018 0.000 1.092 321 F CA 1.498 59.482 58.000 -0.027 0.000 1.245 321 F CB -0.303 38.673 39.000 -0.040 0.000 0.995 321 F HN 0.054 nan 8.300 nan 0.000 0.481 322 R N -0.020 120.580 120.500 0.167 0.000 2.075 322 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 322 R C 2.437 178.767 176.300 0.050 0.000 1.114 322 R CA 0.884 57.036 56.100 0.088 0.000 0.972 322 R CB -0.253 30.084 30.300 0.062 0.000 0.869 322 R HN 0.080 nan 8.270 nan 0.000 0.437 323 R N -0.122 120.397 120.500 0.032 0.000 2.091 323 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 323 R C 1.847 178.154 176.300 0.012 0.000 1.136 323 R CA 1.717 57.823 56.100 0.011 0.000 0.959 323 R CB -0.325 29.971 30.300 -0.006 0.000 0.856 323 R HN 0.298 nan 8.270 nan 0.000 0.437 324 A N -0.780 122.049 122.820 0.014 0.000 2.067 324 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 324 A C 1.463 179.072 177.584 0.042 0.000 1.158 324 A CA 1.494 53.541 52.037 0.017 0.000 0.661 324 A CB -0.139 18.863 19.000 0.002 0.000 0.801 324 A HN 0.637 nan 8.150 nan 0.000 0.452 325 G N -3.057 105.776 108.800 0.055 0.000 2.234 325 G HA2 0.268 4.228 3.960 -0.000 0.000 0.153 325 G HA3 0.268 4.228 3.960 -0.000 0.000 0.153 325 G C 0.204 175.137 174.900 0.056 0.000 1.013 325 G CA -0.024 45.105 45.100 0.049 0.000 0.712 325 G HN 1.356 nan 8.290 nan 0.000 0.491 326 A N 0.724 123.595 122.820 0.084 0.000 2.451 326 A HA 0.535 4.855 4.320 -0.000 0.000 0.266 326 A C 1.188 178.784 177.584 0.021 0.000 1.119 326 A CA 0.696 52.771 52.037 0.063 0.000 0.786 326 A CB 0.234 19.293 19.000 0.098 0.000 1.061 326 A HN 0.225 nan 8.150 nan 0.000 0.503 327 D N 1.652 122.050 120.400 -0.004 0.000 2.149 327 D HA 0.105 4.745 4.640 -0.000 0.000 0.201 327 D C 0.842 177.116 176.300 -0.043 0.000 0.972 327 D CA 1.855 55.843 54.000 -0.020 0.000 0.835 327 D CB 0.237 41.022 40.800 -0.025 0.000 0.966 327 D HN 0.666 nan 8.370 nan 0.000 0.476 328 A N 0.296 123.077 122.820 -0.066 0.000 2.475 328 A HA 0.565 4.885 4.320 -0.000 0.000 0.301 328 A C -0.997 176.491 177.584 -0.160 0.000 1.059 328 A CA -0.558 51.413 52.037 -0.111 0.000 0.710 328 A CB 2.219 21.145 19.000 -0.124 0.000 1.288 328 A HN -0.089 nan 8.150 nan 0.000 0.408 329 V N 1.011 120.790 119.914 -0.224 0.000 2.531 329 V HA 0.678 4.798 4.120 -0.000 0.000 0.301 329 V C 0.418 176.284 176.094 -0.380 0.000 1.034 329 V CA -0.435 61.647 62.300 -0.363 0.000 0.865 329 V CB 1.417 32.954 31.823 -0.477 0.000 0.995 329 V HN 1.325 nan 8.190 nan 0.000 0.424 330 A N 3.178 125.713 122.820 -0.475 0.000 2.309 330 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 330 A C 0.126 177.380 177.584 -0.550 0.000 1.206 330 A CA -0.159 51.500 52.037 -0.629 0.000 0.850 330 A CB 0.810 19.165 19.000 -1.075 0.000 1.118 330 A HN 0.921 nan 8.150 nan 0.000 0.523 331 T N 1.408 115.731 114.554 -0.385 0.000 2.982 331 T HA 0.445 4.795 4.350 -0.000 0.000 0.321 331 T C -0.184 174.450 174.700 -0.110 0.000 1.229 331 T CA -0.335 61.701 62.100 -0.106 0.000 1.044 331 T CB 0.460 69.419 68.868 0.153 0.000 1.184 331 T HN 0.401 nan 8.240 nan 0.000 0.477 332 Y N 2.151 122.536 120.300 0.142 0.000 2.509 332 Y HA 0.141 4.691 4.550 -0.000 0.000 0.293 332 Y C 1.330 177.251 175.900 0.035 0.000 1.133 332 Y CA 0.572 58.653 58.100 -0.032 0.000 1.283 332 Y CB -0.207 37.881 38.460 -0.619 0.000 1.001 332 Y HN 0.701 nan 8.280 nan 0.000 0.555 333 Y N -0.685 119.818 120.300 0.338 0.000 2.502 333 Y HA 0.119 4.669 4.550 -0.000 0.000 0.295 333 Y C 2.119 177.975 175.900 -0.074 0.000 1.193 333 Y CA -0.083 58.142 58.100 0.210 0.000 1.295 333 Y CB -0.581 38.060 38.460 0.302 0.000 1.059 333 Y HN 0.129 nan 8.280 nan 0.000 0.514 334 A N 0.250 123.054 122.820 -0.026 0.000 1.877 334 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 334 A C 2.345 179.706 177.584 -0.371 0.000 1.186 334 A CA 1.795 53.715 52.037 -0.194 0.000 0.620 334 A CB -0.435 18.446 19.000 -0.199 0.000 0.822 334 A HN 0.389 nan 8.150 nan 0.000 0.443 335 K N -0.672 119.297 120.400 -0.718 0.000 2.009 335 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 335 K C 2.056 178.431 176.600 -0.376 0.000 1.049 335 K CA 1.931 57.880 56.287 -0.563 0.000 0.929 335 K CB -0.160 31.884 32.500 -0.759 0.000 0.714 335 K HN 0.378 nan 8.250 nan 0.000 0.440 336 E N 0.040 119.991 120.200 -0.415 0.000 2.106 336 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 336 E C 1.581 177.494 176.600 -1.144 0.000 0.984 336 E CA 1.313 57.292 56.400 -0.701 0.000 0.806 336 E CB -0.106 29.300 29.700 -0.490 0.000 0.750 336 E HN 0.425 nan 8.360 nan 0.000 0.458 337 A N 0.439 122.862 122.820 -0.661 0.000 1.898 337 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 337 A C 2.371 179.853 177.584 -0.171 0.000 1.181 337 A CA 1.713 53.544 52.037 -0.344 0.000 0.620 337 A CB -0.812 18.160 19.000 -0.046 0.000 0.819 337 A HN 0.328 nan 8.150 nan 0.000 0.442 338 A N -0.216 122.480 122.820 -0.208 0.000 1.902 338 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 338 A C 2.157 179.590 177.584 -0.251 0.000 1.181 338 A CA 1.867 53.827 52.037 -0.127 0.000 0.623 338 A CB -0.460 18.510 19.000 -0.050 0.000 0.818 338 A HN 0.463 nan 8.150 nan 0.000 0.443 339 K N -1.045 119.003 120.400 -0.587 0.000 2.032 339 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 339 K C 1.868 178.279 176.600 -0.315 0.000 1.048 339 K CA 1.808 57.544 56.287 -0.919 0.000 0.927 339 K CB -0.298 31.557 32.500 -1.074 0.000 0.712 339 K HN 0.690 nan 8.250 nan 0.000 0.441 340 W N 0.744 121.961 121.300 -0.137 0.000 2.358 340 W HA -0.105 4.555 4.660 0.000 0.000 0.303 340 W C 2.187 178.731 176.519 0.042 0.000 1.208 340 W CA 0.586 57.937 57.345 0.010 0.000 1.274 340 W CB -0.966 28.558 29.460 0.106 0.000 1.138 340 W HN 0.136 nan 8.180 nan 0.000 0.515 341 M N -0.287 119.455 119.600 0.236 0.000 2.086 341 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 341 M C 1.976 178.246 176.300 -0.049 0.000 1.067 341 M CA 1.487 56.816 55.300 0.049 0.000 1.116 341 M CB -1.017 31.613 32.600 0.050 0.000 1.348 341 M HN -0.280 nan 8.290 nan 0.000 0.407 342 V N 0.326 120.223 119.914 -0.030 0.000 2.407 342 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 342 V C 2.007 178.094 176.094 -0.012 0.000 1.055 342 V CA 1.857 64.147 62.300 -0.017 0.000 1.049 342 V CB -0.696 31.140 31.823 0.020 0.000 0.662 342 V HN 0.472 nan 8.190 nan 0.000 0.455 343 E N -0.078 120.121 120.200 -0.001 0.000 2.051 343 E HA -0.270 4.079 4.350 -0.000 0.000 0.192 343 E C 2.011 178.616 176.600 0.008 0.000 0.991 343 E CA 1.591 58.008 56.400 0.029 0.000 0.799 343 E CB -0.214 29.532 29.700 0.076 0.000 0.748 343 E HN 0.634 nan 8.360 nan 0.000 0.449 344 D N 0.055 120.442 120.400 -0.021 0.000 2.149 344 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 344 D C 1.832 178.053 176.300 -0.132 0.000 0.990 344 D CA 1.033 54.968 54.000 -0.109 0.000 0.839 344 D CB 0.063 40.629 40.800 -0.391 0.000 0.948 344 D HN 0.003 nan 8.370 nan 0.000 0.460 345 M N -0.013 119.508 119.600 -0.133 0.000 2.319 345 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 345 M C 1.470 177.741 176.300 -0.048 0.000 1.068 345 M CA 1.370 56.610 55.300 -0.101 0.000 1.118 345 M CB 0.128 32.676 32.600 -0.086 0.000 1.395 345 M HN -0.150 nan 8.290 nan 0.000 0.435 346 K N -0.975 119.410 120.400 -0.026 0.000 2.400 346 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 346 K C 1.248 177.847 176.600 -0.001 0.000 1.033 346 K CA 0.464 56.750 56.287 -0.003 0.000 1.021 346 K CB 0.207 32.716 32.500 0.016 0.000 0.808 346 K HN 0.469 nan 8.250 nan 0.000 0.505 347 G N -0.127 108.668 108.800 -0.008 0.000 3.374 347 G HA2 0.125 4.085 3.960 -0.000 0.000 0.200 347 G HA3 0.125 4.085 3.960 -0.000 0.000 0.200 347 G C 1.187 176.083 174.900 -0.006 0.000 1.801 347 G CA 0.541 45.642 45.100 0.001 0.000 0.842 347 G HN 0.123 nan 8.290 nan 0.000 0.688 348 T N 0.343 114.896 114.554 -0.002 0.000 3.113 348 T HA 0.220 4.570 4.350 -0.000 0.000 0.256 348 T C 1.069 175.761 174.700 -0.015 0.000 1.131 348 T CA 1.337 63.436 62.100 -0.001 0.000 1.074 348 T CB -0.629 68.247 68.868 0.014 0.000 0.944 348 T HN 0.697 nan 8.240 nan 0.000 0.516 349 Q N -0.531 119.242 119.800 -0.045 0.000 2.423 349 Q HA -0.266 4.074 4.340 -0.000 0.000 0.332 349 Q C 1.081 177.048 176.000 -0.054 0.000 1.355 349 Q CA 0.788 56.537 55.803 -0.090 0.000 0.947 349 Q CB -2.727 25.962 28.738 -0.081 0.000 1.189 349 Q HN 0.694 nan 8.270 nan 0.000 0.418 350 K N 1.475 121.874 120.400 -0.002 0.000 2.097 350 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 350 K C 1.346 178.051 176.600 0.175 0.000 1.049 350 K CA 1.822 58.169 56.287 0.100 0.000 0.933 350 K CB -0.523 32.083 32.500 0.177 0.000 0.717 350 K HN 0.813 nan 8.250 nan 0.000 0.442 351 F N -1.715 118.229 119.950 -0.010 0.000 2.974 351 F HA 0.283 4.810 4.527 -0.000 0.000 0.357 351 F C 0.383 176.183 175.800 0.000 0.000 1.114 351 F CA -0.007 57.987 58.000 -0.010 0.000 1.099 351 F CB 0.137 39.126 39.000 -0.019 0.000 1.205 351 F HN 0.007 nan 8.300 nan 0.000 0.535 352 T N -0.572 113.686 114.554 -0.492 0.000 2.949 352 T HA 0.760 5.110 4.350 -0.000 0.000 0.287 352 T C -0.685 173.921 174.700 -0.157 0.000 1.034 352 T CA -0.225 61.678 62.100 -0.330 0.000 1.018 352 T CB 2.680 71.283 68.868 -0.442 0.000 1.135 352 T HN 0.564 nan 8.240 nan 0.000 0.532 353 E N -0.506 119.635 120.200 -0.099 0.000 2.437 353 E HA 0.587 4.937 4.350 -0.000 0.000 0.280 353 E C -3.051 173.529 176.600 -0.034 0.000 1.044 353 E CA -2.012 54.355 56.400 -0.055 0.000 0.826 353 E CB 0.328 30.010 29.700 -0.030 0.000 1.358 353 E HN 0.501 nan 8.360 nan 0.000 0.459 354 P HA 0.244 nan 4.420 nan 0.000 0.272 354 P C -0.314 177.002 177.300 0.026 0.000 1.230 354 P CA -0.359 62.749 63.100 0.014 0.000 0.788 354 P CB 0.506 32.225 31.700 0.032 0.000 0.949 355 C N 0.676 120.000 119.300 0.041 0.000 3.285 355 C HA 0.941 5.401 4.460 -0.000 0.000 0.320 355 C C -1.123 173.937 174.990 0.116 0.000 1.411 355 C CA -0.788 58.248 59.018 0.029 0.000 1.429 355 C CB 0.937 28.660 27.740 -0.029 0.000 1.812 355 C HN 0.805 nan 8.230 nan 0.000 0.454 356 Y N 0.000 120.297 120.300 -0.005 0.000 2.660 356 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 356 Y CA 0.000 58.097 58.100 -0.005 0.000 1.940 356 Y CB 0.000 38.458 38.460 -0.004 0.000 1.050 356 Y HN 0.000 nan 8.280 nan 0.000 0.758