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 2wv7_1_C DATA FIRST_RESID 3 DATA SEQUENCE KFRLIPYKQV DKVSALSEVP MGVEIVEAPA VWRASAKGAG QIIGVIDTGC DATA SEQUENCE QVDHPDLAER IIGGVNLTTD YGGDETNFSD NNGHGTHVAG TVAAAETGSG DATA SEQUENCE VVGVAPKADL FIIKALSGDG SGEMGWIAKA IRYAVDWRGP KGEQMRIITM DATA SEQUENCE SLGGPTDSEE LHDAVKYAVS NNVSVVCAAG NXXXXXXXXN EFAYPAAYNE DATA SEQUENCE VIAVGAVDFD LRLXXXXXXX XEIDIVAPGV GIKSTYLDSG YAELSGTAMA DATA SEQUENCE APHVAGALAL IINLAEDAFK RSLSETEIYA QLVRRATPIG FTAQAEGNGF DATA SEQUENCE LTLDLVERIT GQFT 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.579 176.600 -0.034 0.000 0.988 3 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 3 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 4 F N 1.840 121.748 119.950 -0.070 0.000 2.425 4 F HA 0.619 5.145 4.527 -0.000 0.000 0.331 4 F C 0.766 176.588 175.800 0.036 0.000 1.085 4 F CA -0.295 57.701 58.000 -0.008 0.000 1.028 4 F CB 1.467 40.481 39.000 0.023 0.000 1.177 4 F HN 0.451 nan 8.300 nan 0.000 0.487 5 R N 1.686 122.327 120.500 0.236 0.000 2.690 5 R HA 0.521 4.861 4.340 -0.001 0.000 0.269 5 R C -2.038 174.407 176.300 0.241 0.000 1.037 5 R CA -1.138 55.091 56.100 0.215 0.000 0.877 5 R CB 0.727 31.125 30.300 0.164 0.000 1.255 5 R HN 0.397 nan 8.270 nan 0.000 0.467 6 L N 2.256 123.567 121.223 0.147 0.000 2.628 6 L HA 0.010 4.350 4.340 -0.001 0.000 0.292 6 L C 0.163 177.054 176.870 0.035 0.000 1.250 6 L CA 0.665 55.534 54.840 0.050 0.000 0.892 6 L CB -0.205 41.851 42.059 -0.006 0.000 1.138 6 L HN 0.544 nan 8.230 nan 0.000 0.502 7 I N 6.622 127.145 120.570 -0.079 0.000 2.517 7 I HA 0.075 4.245 4.170 -0.001 0.000 0.285 7 I C -1.685 174.309 176.117 -0.206 0.000 1.106 7 I CA -1.578 59.510 61.300 -0.353 0.000 1.402 7 I CB 0.315 38.124 38.000 -0.319 0.000 1.399 7 I HN 0.537 nan 8.210 nan 0.000 0.535 8 P HA -0.026 nan 4.420 nan 0.000 0.266 8 P C -1.391 175.851 177.300 -0.097 0.000 1.186 8 P CA 0.537 63.501 63.100 -0.226 0.000 0.767 8 P CB 0.203 31.763 31.700 -0.234 0.000 0.820 9 Y N -0.848 119.380 120.300 -0.120 0.000 2.597 9 Y HA 0.638 5.187 4.550 -0.001 0.000 0.340 9 Y C -0.690 175.168 175.900 -0.069 0.000 1.097 9 Y CA -1.556 56.488 58.100 -0.093 0.000 1.037 9 Y CB 1.226 39.639 38.460 -0.078 0.000 1.305 9 Y HN -0.039 nan 8.280 nan 0.000 0.463 10 K N 2.252 122.703 120.400 0.086 0.000 2.183 10 K HA 0.194 4.514 4.320 -0.001 0.000 0.274 10 K C -0.875 175.786 176.600 0.102 0.000 1.009 10 K CA -0.466 55.836 56.287 0.024 0.000 0.888 10 K CB 1.668 34.171 32.500 0.005 0.000 1.078 10 K HN 0.842 nan 8.250 nan 0.000 0.459 11 Q N 3.520 123.353 119.800 0.055 0.000 2.389 11 Q HA 0.095 4.435 4.340 -0.001 0.000 0.244 11 Q C 0.664 176.672 176.000 0.013 0.000 1.056 11 Q CA -0.144 55.693 55.803 0.056 0.000 0.908 11 Q CB 0.899 29.658 28.738 0.035 0.000 1.273 11 Q HN 0.359 nan 8.270 nan 0.000 0.471 12 V N 2.538 122.458 119.914 0.010 0.000 2.379 12 V HA -0.022 4.098 4.120 -0.001 0.000 0.243 12 V C 0.562 176.659 176.094 0.005 0.000 1.035 12 V CA 1.279 63.586 62.300 0.012 0.000 1.035 12 V CB 0.095 31.933 31.823 0.025 0.000 0.673 12 V HN 0.653 nan 8.190 nan 0.000 0.457 13 D N -1.313 119.083 120.400 -0.008 0.000 2.717 13 D HA 0.381 5.020 4.640 -0.001 0.000 0.223 13 D C -1.207 175.074 176.300 -0.031 0.000 1.240 13 D CA -0.547 53.452 54.000 -0.002 0.000 0.801 13 D CB 1.967 42.781 40.800 0.023 0.000 1.556 13 D HN 0.025 nan 8.370 nan 0.000 0.462 14 K N 1.661 122.055 120.400 -0.009 0.000 2.545 14 K HA 0.544 4.863 4.320 -0.001 0.000 0.252 14 K C -0.987 175.654 176.600 0.068 0.000 0.948 14 K CA -0.839 55.448 56.287 -0.000 0.000 0.827 14 K CB 1.871 34.375 32.500 0.006 0.000 1.128 14 K HN 0.281 nan 8.250 nan 0.000 0.429 15 V N -0.034 119.952 119.914 0.121 0.000 2.628 15 V HA 0.328 4.448 4.120 -0.001 0.000 0.306 15 V C 0.754 176.986 176.094 0.230 0.000 1.045 15 V CA -0.738 61.651 62.300 0.147 0.000 0.905 15 V CB 1.813 33.707 31.823 0.118 0.000 0.997 15 V HN 0.677 nan 8.190 nan 0.000 0.436 16 S N 1.847 117.657 115.700 0.183 0.000 2.481 16 S HA 0.352 4.822 4.470 -0.001 0.000 0.231 16 S C 0.789 175.555 174.600 0.278 0.000 0.996 16 S CA 0.930 59.248 58.200 0.196 0.000 0.942 16 S CB 0.035 63.304 63.200 0.116 0.000 0.768 16 S HN 1.422 nan 8.310 nan 0.000 0.520 17 A N 0.933 123.894 122.820 0.235 0.000 2.408 17 A HA 0.755 5.074 4.320 -0.001 0.000 0.295 17 A C -0.887 176.673 177.584 -0.040 0.000 1.040 17 A CA -0.589 51.544 52.037 0.159 0.000 0.707 17 A CB 1.153 20.204 19.000 0.084 0.000 1.235 17 A HN 0.257 nan 8.150 nan 0.000 0.418 18 L N 0.692 121.691 121.223 -0.374 0.000 2.283 18 L HA 0.840 5.179 4.340 -0.001 0.000 0.259 18 L C 0.067 176.741 176.870 -0.327 0.000 1.027 18 L CA -0.777 53.792 54.840 -0.451 0.000 0.828 18 L CB 2.497 44.097 42.059 -0.764 0.000 1.380 18 L HN 0.675 nan 8.230 nan 0.000 0.425 19 S N 1.129 116.706 115.700 -0.205 0.000 2.417 19 S HA 0.322 4.792 4.470 -0.001 0.000 0.189 19 S C -1.374 173.176 174.600 -0.083 0.000 1.005 19 S CA -0.584 57.544 58.200 -0.120 0.000 1.116 19 S CB 0.240 63.402 63.200 -0.064 0.000 1.343 19 S HN 0.732 nan 8.310 nan 0.000 0.406 20 E N 0.935 121.087 120.200 -0.079 0.000 2.416 20 E HA 0.513 4.862 4.350 -0.001 0.000 0.280 20 E C -1.650 174.947 176.600 -0.006 0.000 1.055 20 E CA -1.114 55.262 56.400 -0.040 0.000 0.825 20 E CB 0.920 30.590 29.700 -0.050 0.000 1.312 20 E HN 0.165 nan 8.360 nan 0.000 0.452 21 V N 2.002 121.928 119.914 0.020 0.000 2.385 21 V HA 0.314 4.434 4.120 -0.001 0.000 0.269 21 V C -2.140 173.970 176.094 0.027 0.000 1.043 21 V CA -1.541 60.793 62.300 0.057 0.000 0.906 21 V CB 0.574 32.439 31.823 0.070 0.000 0.995 21 V HN 0.591 nan 8.190 nan 0.000 0.467 22 P HA 0.097 nan 4.420 nan 0.000 0.268 22 P C 0.849 178.165 177.300 0.026 0.000 1.204 22 P CA -0.213 62.919 63.100 0.054 0.000 0.768 22 P CB 0.533 32.303 31.700 0.116 0.000 0.842 23 M N 3.763 123.318 119.600 -0.076 0.000 2.146 23 M HA -0.187 4.293 4.480 -0.001 0.000 0.256 23 M C 1.801 178.044 176.300 -0.094 0.000 1.075 23 M CA 2.748 57.884 55.300 -0.274 0.000 1.082 23 M CB -1.236 30.893 32.600 -0.784 0.000 1.355 23 M HN 0.472 nan 8.290 nan 0.000 0.402 24 G N -1.245 107.690 108.800 0.224 0.000 2.408 24 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.217 24 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.217 24 G C 1.387 176.402 174.900 0.192 0.000 1.150 24 G CA 0.920 46.234 45.100 0.357 0.000 0.776 24 G HN 0.421 nan 8.290 nan 0.000 0.542 25 V N 1.923 121.966 119.914 0.216 0.000 2.343 25 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 25 V C 2.891 178.985 176.094 0.001 0.000 1.051 25 V CA 2.331 64.720 62.300 0.149 0.000 1.036 25 V CB -0.375 31.550 31.823 0.170 0.000 0.654 25 V HN 0.719 nan 8.190 nan 0.000 0.451 26 E N 0.006 120.186 120.200 -0.034 0.000 2.112 26 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 26 E C 2.335 178.908 176.600 -0.045 0.000 0.979 26 E CA 1.245 57.587 56.400 -0.097 0.000 0.814 26 E CB -0.412 29.219 29.700 -0.115 0.000 0.762 26 E HN 0.561 nan 8.360 nan 0.000 0.460 27 I N 1.399 121.979 120.570 0.016 0.000 2.335 27 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 27 I C 2.140 178.359 176.117 0.169 0.000 1.129 27 I CA 0.868 62.233 61.300 0.109 0.000 1.402 27 I CB 0.144 38.266 38.000 0.203 0.000 1.069 27 I HN -0.012 nan 8.210 nan 0.000 0.424 28 V N 0.796 120.756 119.914 0.077 0.000 3.380 28 V HA -0.121 3.998 4.120 -0.001 0.000 0.268 28 V C 0.860 176.906 176.094 -0.081 0.000 1.168 28 V CA 1.264 63.526 62.300 -0.064 0.000 1.156 28 V CB -0.767 30.990 31.823 -0.110 0.000 0.785 28 V HN 0.583 nan 8.190 nan 0.000 0.487 29 E N -1.939 118.214 120.200 -0.078 0.000 3.057 29 E HA -0.296 4.054 4.350 -0.001 0.000 0.296 29 E C 1.359 177.836 176.600 -0.205 0.000 0.943 29 E CA 0.403 56.727 56.400 -0.127 0.000 0.965 29 E CB -1.684 27.969 29.700 -0.078 0.000 1.485 29 E HN 0.625 nan 8.360 nan 0.000 0.417 30 A N 0.446 123.119 122.820 -0.244 0.000 1.873 30 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 30 A C -0.359 176.679 177.584 -0.911 0.000 1.193 30 A CA 1.975 53.787 52.037 -0.375 0.000 0.629 30 A CB -1.008 17.887 19.000 -0.174 0.000 0.826 30 A HN 0.260 nan 8.150 nan 0.000 0.447 31 P HA 0.026 nan 4.420 nan 0.000 0.226 31 P C 1.211 178.209 177.300 -0.503 0.000 1.153 31 P CA 1.355 63.694 63.100 -1.269 0.000 0.777 31 P CB -0.040 31.129 31.700 -0.885 0.000 0.794 32 A N -1.020 121.603 122.820 -0.328 0.000 2.206 32 A HA 0.039 4.359 4.320 -0.001 0.000 0.211 32 A C 1.849 179.382 177.584 -0.086 0.000 1.158 32 A CA 1.013 52.959 52.037 -0.152 0.000 0.761 32 A CB -0.818 18.114 19.000 -0.112 0.000 0.801 32 A HN 0.145 nan 8.150 nan 0.000 0.473 33 V N -2.382 117.473 119.914 -0.099 0.000 3.432 33 V HA 0.041 4.161 4.120 -0.001 0.000 0.298 33 V C 1.327 177.511 176.094 0.150 0.000 1.464 33 V CA -0.423 61.884 62.300 0.012 0.000 1.046 33 V CB -0.376 31.445 31.823 -0.002 0.000 0.887 33 V HN 0.721 nan 8.190 nan 0.000 0.441 34 W N 0.915 122.222 121.300 0.012 0.000 2.338 34 W HA -0.101 4.559 4.660 -0.001 0.000 0.304 34 W C 2.457 178.984 176.519 0.013 0.000 1.212 34 W CA 1.458 58.812 57.345 0.013 0.000 1.264 34 W CB -0.645 28.823 29.460 0.013 0.000 1.142 34 W HN 0.229 nan 8.180 nan 0.000 0.512 35 R N 0.230 120.873 120.500 0.238 0.000 2.070 35 R HA -0.115 4.224 4.340 -0.001 0.000 0.233 35 R C 2.275 178.635 176.300 0.100 0.000 1.137 35 R CA 2.028 58.210 56.100 0.136 0.000 0.945 35 R CB -0.650 29.710 30.300 0.100 0.000 0.845 35 R HN 0.010 nan 8.270 nan 0.000 0.430 36 A N 0.032 122.909 122.820 0.094 0.000 2.067 36 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 36 A C 1.845 179.475 177.584 0.076 0.000 1.158 36 A CA 1.597 53.676 52.037 0.070 0.000 0.661 36 A CB -0.187 18.846 19.000 0.055 0.000 0.801 36 A HN 0.536 nan 8.150 nan 0.000 0.452 37 S N -2.061 113.702 115.700 0.105 0.000 2.540 37 S HA 0.489 4.958 4.470 -0.001 0.000 0.218 37 S C 0.961 175.606 174.600 0.075 0.000 0.977 37 S CA 0.862 59.121 58.200 0.098 0.000 0.918 37 S CB -0.154 63.126 63.200 0.134 0.000 0.806 37 S HN 1.869 nan 8.310 nan 0.000 0.496 38 A N 1.839 124.697 122.820 0.064 0.000 2.748 38 A HA -0.254 4.066 4.320 -0.001 0.000 0.297 38 A C 0.875 178.447 177.584 -0.020 0.000 1.508 38 A CA 1.122 53.173 52.037 0.023 0.000 0.799 38 A CB -2.637 16.374 19.000 0.017 0.000 1.011 38 A HN 0.687 nan 8.150 nan 0.000 0.500 39 K N -3.307 117.077 120.400 -0.026 0.000 3.035 39 K HA -0.196 4.124 4.320 -0.001 0.000 0.262 39 K C 1.422 177.964 176.600 -0.097 0.000 1.024 39 K CA 1.315 57.492 56.287 -0.183 0.000 0.748 39 K CB -1.986 30.268 32.500 -0.410 0.000 1.247 39 K HN 2.400 nan 8.250 nan 0.000 0.482 40 G N -1.306 107.495 108.800 0.001 0.000 2.184 40 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.264 40 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.264 40 G C 0.369 175.275 174.900 0.009 0.000 0.975 40 G CA 0.483 45.594 45.100 0.018 0.000 0.642 40 G HN 1.058 nan 8.290 nan 0.000 0.536 41 A N -0.274 122.541 122.820 -0.008 0.000 2.624 41 A HA 0.500 4.819 4.320 -0.001 0.000 0.231 41 A C 2.317 179.913 177.584 0.020 0.000 1.034 41 A CA 2.364 54.402 52.037 0.001 0.000 0.754 41 A CB -0.382 18.615 19.000 -0.005 0.000 0.953 41 A HN 2.514 nan 8.150 nan 0.000 0.509 42 G N 0.505 109.321 108.800 0.027 0.000 2.205 42 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.261 42 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.261 42 G C 0.200 175.127 174.900 0.046 0.000 0.980 42 G CA 0.689 45.810 45.100 0.035 0.000 0.632 42 G HN 0.968 nan 8.290 nan 0.000 0.533 43 Q N -0.323 119.505 119.800 0.046 0.000 2.226 43 Q HA 0.763 5.102 4.340 -0.001 0.000 0.256 43 Q C 0.035 176.074 176.000 0.065 0.000 0.962 43 Q CA -0.412 55.423 55.803 0.054 0.000 0.887 43 Q CB 1.863 30.630 28.738 0.048 0.000 1.282 43 Q HN 0.471 nan 8.270 nan 0.000 0.449 44 I N 2.638 123.254 120.570 0.077 0.000 2.468 44 I HA 0.257 4.426 4.170 -0.001 0.000 0.284 44 I C -0.761 175.395 176.117 0.066 0.000 1.038 44 I CA -0.755 60.596 61.300 0.086 0.000 1.083 44 I CB 1.366 39.448 38.000 0.136 0.000 1.223 44 I HN 0.374 nan 8.210 nan 0.000 0.443 45 I N 5.393 125.995 120.570 0.054 0.000 2.371 45 I HA 0.304 4.474 4.170 -0.001 0.000 0.290 45 I C 1.043 177.191 176.117 0.051 0.000 1.028 45 I CA 0.185 61.514 61.300 0.048 0.000 1.345 45 I CB 0.997 39.019 38.000 0.038 0.000 1.407 45 I HN 0.571 nan 8.210 nan 0.000 0.501 46 G N 6.262 115.095 108.800 0.054 0.000 2.350 46 G HA2 0.484 4.444 3.960 -0.001 0.000 0.306 46 G HA3 0.484 4.444 3.960 -0.001 0.000 0.306 46 G C -0.475 174.461 174.900 0.061 0.000 1.094 46 G CA -0.343 44.800 45.100 0.073 0.000 0.953 46 G HN 0.394 nan 8.290 nan 0.000 0.420 47 V N 4.967 124.903 119.914 0.037 0.000 2.348 47 V HA 0.244 4.363 4.120 -0.001 0.000 0.270 47 V C 0.390 176.503 176.094 0.032 0.000 1.037 47 V CA -0.491 61.825 62.300 0.026 0.000 0.872 47 V CB 0.897 32.719 31.823 -0.001 0.000 1.002 47 V HN 0.601 nan 8.190 nan 0.000 0.464 48 I N 5.304 125.911 120.570 0.062 0.000 2.282 48 I HA 0.433 4.603 4.170 -0.001 0.000 0.290 48 I C 0.171 176.347 176.117 0.100 0.000 1.090 48 I CA 0.496 61.840 61.300 0.073 0.000 1.231 48 I CB 0.333 38.387 38.000 0.091 0.000 1.434 48 I HN 0.714 nan 8.210 nan 0.000 0.487 49 D N 2.460 122.916 120.400 0.093 0.000 3.948 49 D HA 0.074 4.714 4.640 -0.001 0.000 0.338 49 D C 0.699 177.075 176.300 0.126 0.000 1.541 49 D CA -0.001 54.083 54.000 0.139 0.000 0.973 49 D CB 1.261 42.154 40.800 0.156 0.000 1.449 49 D HN 0.340 nan 8.370 nan 0.000 0.624 50 T N -0.848 113.796 114.554 0.150 0.000 3.169 50 T HA 0.500 4.849 4.350 -0.001 0.000 0.250 50 T C 1.002 175.759 174.700 0.094 0.000 1.111 50 T CA 0.927 63.101 62.100 0.123 0.000 1.010 50 T CB -0.116 68.840 68.868 0.146 0.000 0.984 50 T HN 0.866 nan 8.240 nan 0.000 0.537 51 G N -0.480 108.369 108.800 0.081 0.000 2.661 51 G HA2 0.001 3.960 3.960 -0.001 0.000 0.685 51 G HA3 0.001 3.960 3.960 -0.001 0.000 0.685 51 G C -0.597 174.335 174.900 0.052 0.000 1.298 51 G CA -0.673 44.481 45.100 0.090 0.000 0.855 51 G HN 0.778 nan 8.290 nan 0.000 0.560 52 C N -0.214 119.116 119.300 0.050 0.000 2.707 52 C HA 0.758 5.218 4.460 -0.001 0.000 0.313 52 C C 0.592 175.559 174.990 -0.038 0.000 1.209 52 C CA -0.389 58.627 59.018 -0.003 0.000 1.635 52 C CB 1.594 29.337 27.740 0.004 0.000 2.206 52 C HN 0.957 nan 8.230 nan 0.000 0.485 53 Q N 2.816 122.586 119.800 -0.050 0.000 2.325 53 Q HA 0.145 4.484 4.340 -0.001 0.000 0.256 53 Q C 0.564 176.546 176.000 -0.031 0.000 1.142 53 Q CA 0.062 55.837 55.803 -0.047 0.000 0.902 53 Q CB 0.838 29.575 28.738 -0.002 0.000 1.350 53 Q HN 0.790 nan 8.270 nan 0.000 0.449 54 V N 3.206 123.072 119.914 -0.081 0.000 2.759 54 V HA -0.161 3.959 4.120 -0.001 0.000 0.256 54 V C 1.106 177.175 176.094 -0.042 0.000 1.080 54 V CA 1.924 64.181 62.300 -0.071 0.000 1.101 54 V CB -0.301 31.425 31.823 -0.163 0.000 0.698 54 V HN 0.804 nan 8.190 nan 0.000 0.477 55 D N -2.111 118.261 120.400 -0.047 0.000 2.538 55 D HA -0.016 4.623 4.640 -0.001 0.000 0.231 55 D C 0.608 176.886 176.300 -0.037 0.000 1.229 55 D CA -0.512 53.462 54.000 -0.042 0.000 0.828 55 D CB -0.617 40.141 40.800 -0.070 0.000 1.035 55 D HN 0.389 nan 8.370 nan 0.000 0.495 56 H N 2.540 121.562 119.070 -0.080 0.000 3.070 56 H HA 0.025 4.581 4.556 -0.001 0.000 0.313 56 H C -1.297 173.998 175.328 -0.055 0.000 0.997 56 H CA -0.670 55.327 56.048 -0.085 0.000 1.438 56 H CB 1.508 31.206 29.762 -0.107 0.000 1.455 56 H HN -0.049 nan 8.280 nan 0.000 0.575 57 P HA -0.148 nan 4.420 nan 0.000 0.220 57 P C 0.707 178.085 177.300 0.130 0.000 1.144 57 P CA 1.082 64.180 63.100 -0.003 0.000 0.800 57 P CB 0.466 32.135 31.700 -0.052 0.000 0.772 58 D N -1.502 119.102 120.400 0.340 0.000 2.348 58 D HA 0.112 4.752 4.640 -0.001 0.000 0.211 58 D C 1.702 178.067 176.300 0.109 0.000 0.998 58 D CA 0.583 54.724 54.000 0.234 0.000 0.873 58 D CB 0.327 41.292 40.800 0.276 0.000 0.925 58 D HN 0.260 nan 8.370 nan 0.000 0.524 59 L N -0.900 120.387 121.223 0.107 0.000 2.854 59 L HA 0.317 4.656 4.340 -0.001 0.000 0.249 59 L C 2.254 179.141 176.870 0.028 0.000 1.091 59 L CA 0.180 55.038 54.840 0.031 0.000 0.935 59 L CB -0.148 41.902 42.059 -0.015 0.000 1.367 59 L HN -0.211 nan 8.230 nan 0.000 0.524 60 A N 1.752 124.597 122.820 0.041 0.000 1.915 60 A HA -0.287 4.032 4.320 -0.001 0.000 0.220 60 A C 2.109 179.704 177.584 0.017 0.000 1.198 60 A CA 2.469 54.518 52.037 0.020 0.000 0.647 60 A CB -0.630 18.376 19.000 0.009 0.000 0.825 60 A HN 0.649 nan 8.150 nan 0.000 0.456 61 E N -1.852 118.358 120.200 0.017 0.000 2.511 61 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 61 E C 1.431 178.040 176.600 0.014 0.000 1.066 61 E CA 0.289 56.697 56.400 0.014 0.000 0.871 61 E CB -0.009 29.696 29.700 0.008 0.000 0.863 61 E HN 0.411 nan 8.360 nan 0.000 0.520 62 R N 0.271 120.779 120.500 0.013 0.000 2.344 62 R HA 0.344 4.684 4.340 -0.001 0.000 0.209 62 R C 0.404 176.716 176.300 0.021 0.000 0.886 62 R CA -0.068 56.038 56.100 0.011 0.000 1.040 62 R CB 0.468 30.765 30.300 -0.004 0.000 1.114 62 R HN 0.200 nan 8.270 nan 0.000 0.547 63 I N 2.200 122.784 120.570 0.022 0.000 2.342 63 I HA 0.123 4.292 4.170 -0.001 0.000 0.291 63 I C 1.558 177.705 176.117 0.051 0.000 1.010 63 I CA -0.070 61.244 61.300 0.023 0.000 1.308 63 I CB 1.194 39.207 38.000 0.022 0.000 1.400 63 I HN -0.010 nan 8.210 nan 0.000 0.488 64 I N 2.270 122.881 120.570 0.069 0.000 4.070 64 I HA 0.622 4.792 4.170 -0.001 0.000 0.328 64 I C 0.759 176.969 176.117 0.155 0.000 1.298 64 I CA -0.136 61.247 61.300 0.137 0.000 1.173 64 I CB 0.363 38.491 38.000 0.214 0.000 1.051 64 I HN 0.584 nan 8.210 nan 0.000 0.409 65 G N -0.215 108.566 108.800 -0.032 0.000 2.322 65 G HA2 0.560 4.520 3.960 -0.001 0.000 0.295 65 G HA3 0.560 4.520 3.960 -0.001 0.000 0.295 65 G C -1.228 172.797 174.900 -1.458 0.000 1.369 65 G CA -0.183 44.739 45.100 -0.295 0.000 0.821 65 G HN 0.452 nan 8.290 nan 0.000 0.536 66 G N -2.297 105.304 108.800 -1.999 0.000 2.548 66 G HA2 0.799 4.758 3.960 -0.001 0.000 0.301 66 G HA3 0.799 4.758 3.960 -0.001 0.000 0.301 66 G C -1.883 172.004 174.900 -1.688 0.000 1.349 66 G CA 0.252 43.685 45.100 -2.777 0.000 0.792 66 G HN 1.894 nan 8.290 nan 0.000 0.481 67 V N -0.133 119.048 119.914 -1.221 0.000 3.048 67 V HA 0.719 4.839 4.120 -0.001 0.000 0.303 67 V C -1.737 174.151 176.094 -0.345 0.000 1.214 67 V CA -0.997 60.974 62.300 -0.549 0.000 0.984 67 V CB 2.264 33.751 31.823 -0.560 0.000 1.054 67 V HN 1.030 nan 8.190 nan 0.000 0.430 68 N N 5.100 123.718 118.700 -0.136 0.000 2.444 68 N HA 0.456 5.196 4.740 -0.001 0.000 0.262 68 N C 0.001 175.373 175.510 -0.229 0.000 0.974 68 N CA -0.368 52.619 53.050 -0.105 0.000 0.933 68 N CB 1.262 39.772 38.487 0.038 0.000 1.137 68 N HN 0.690 nan 8.380 nan 0.000 0.498 69 L N 1.468 122.506 121.223 -0.309 0.000 2.628 69 L HA 0.236 4.576 4.340 -0.001 0.000 0.229 69 L C 0.576 176.963 176.870 -0.806 0.000 1.137 69 L CA 0.125 54.723 54.840 -0.404 0.000 0.909 69 L CB 0.038 41.928 42.059 -0.280 0.000 1.137 69 L HN 0.455 nan 8.230 nan 0.000 0.470 70 T N -1.051 113.013 114.554 -0.817 0.000 2.923 70 T HA 0.188 4.537 4.350 -0.001 0.000 0.281 70 T C 1.194 175.375 174.700 -0.866 0.000 0.995 70 T CA -0.108 61.209 62.100 -1.304 0.000 0.985 70 T CB 1.642 70.092 68.868 -0.697 0.000 1.114 70 T HN 0.185 nan 8.240 nan 0.000 0.548 71 T N -1.556 112.571 114.554 -0.712 0.000 3.092 71 T HA 0.215 4.565 4.350 -0.001 0.000 0.258 71 T C 0.040 174.610 174.700 -0.217 0.000 1.031 71 T CA -0.506 61.423 62.100 -0.284 0.000 0.925 71 T CB -0.074 68.771 68.868 -0.039 0.000 1.036 71 T HN 0.280 nan 8.240 nan 0.000 0.544 72 D N 2.373 122.564 120.400 -0.349 0.000 2.423 72 D HA 0.128 4.767 4.640 -0.001 0.000 0.238 72 D C 0.153 176.164 176.300 -0.483 0.000 1.142 72 D CA 0.267 53.958 54.000 -0.516 0.000 0.884 72 D CB 0.068 40.306 40.800 -0.936 0.000 1.199 72 D HN 0.428 nan 8.370 nan 0.000 0.438 73 Y N -0.217 120.061 120.300 -0.038 0.000 3.305 73 Y HA -0.175 4.375 4.550 -0.001 0.000 0.212 73 Y C 1.427 177.303 175.900 -0.040 0.000 1.248 73 Y CA 0.614 58.690 58.100 -0.039 0.000 1.359 73 Y CB -2.041 36.389 38.460 -0.050 0.000 1.407 73 Y HN 0.687 nan 8.280 nan 0.000 0.572 74 G N -2.155 106.677 108.800 0.053 0.000 2.697 74 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.200 74 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.200 74 G C 0.606 175.507 174.900 0.001 0.000 1.106 74 G CA -0.317 44.803 45.100 0.033 0.000 0.748 74 G HN 1.352 nan 8.290 nan 0.000 0.503 75 G N 1.361 110.142 108.800 -0.033 0.000 2.394 75 G HA2 0.446 4.406 3.960 -0.001 0.000 0.298 75 G HA3 0.446 4.406 3.960 -0.001 0.000 0.298 75 G C -0.455 174.434 174.900 -0.018 0.000 1.087 75 G CA 0.598 45.662 45.100 -0.060 0.000 1.035 75 G HN 0.349 nan 8.290 nan 0.000 0.420 76 D N 2.619 123.047 120.400 0.047 0.000 2.368 76 D HA -0.023 4.617 4.640 -0.001 0.000 0.268 76 D C 1.433 177.768 176.300 0.059 0.000 1.298 76 D CA -0.068 53.966 54.000 0.057 0.000 0.938 76 D CB 0.642 41.490 40.800 0.079 0.000 1.101 76 D HN 0.534 nan 8.370 nan 0.000 0.509 77 E N 2.006 122.226 120.200 0.033 0.000 2.333 77 E HA -0.119 4.231 4.350 -0.001 0.000 0.198 77 E C 1.031 177.691 176.600 0.100 0.000 1.007 77 E CA 0.995 57.409 56.400 0.024 0.000 0.845 77 E CB 0.145 29.855 29.700 0.017 0.000 0.766 77 E HN 0.526 nan 8.360 nan 0.000 0.507 78 T N 0.534 115.165 114.554 0.127 0.000 3.051 78 T HA -0.027 4.323 4.350 -0.001 0.000 0.255 78 T C 0.820 175.607 174.700 0.146 0.000 1.085 78 T CA -0.046 62.165 62.100 0.186 0.000 1.109 78 T CB 0.049 68.972 68.868 0.093 0.000 0.921 78 T HN -0.038 nan 8.240 nan 0.000 0.488 79 N N 1.811 120.549 118.700 0.063 0.000 2.469 79 N HA 0.173 4.913 4.740 -0.001 0.000 0.239 79 N C -0.535 175.012 175.510 0.062 0.000 1.053 79 N CA -0.912 52.069 53.050 -0.116 0.000 0.937 79 N CB -0.012 38.351 38.487 -0.207 0.000 1.163 79 N HN 0.366 nan 8.380 nan 0.000 0.509 80 F N 0.794 120.708 119.950 -0.060 0.000 2.735 80 F HA 0.395 4.921 4.527 -0.001 0.000 0.304 80 F C 0.945 176.728 175.800 -0.029 0.000 1.119 80 F CA -1.106 56.875 58.000 -0.031 0.000 1.280 80 F CB -0.824 38.096 39.000 -0.132 0.000 0.994 80 F HN 0.147 nan 8.300 nan 0.000 0.520 81 S N -0.088 115.505 115.700 -0.179 0.000 2.572 81 S HA 0.020 4.490 4.470 -0.001 0.000 0.267 81 S C -0.258 174.378 174.600 0.058 0.000 1.361 81 S CA -0.408 57.704 58.200 -0.146 0.000 1.009 81 S CB 0.930 63.954 63.200 -0.293 0.000 0.888 81 S HN 0.360 nan 8.310 nan 0.000 0.553 82 D N -0.059 120.353 120.400 0.019 0.000 2.441 82 D HA 0.220 4.860 4.640 -0.001 0.000 0.231 82 D C 0.405 176.733 176.300 0.046 0.000 1.073 82 D CA -0.691 53.337 54.000 0.046 0.000 0.850 82 D CB 0.035 40.825 40.800 -0.017 0.000 1.062 82 D HN 0.756 nan 8.370 nan 0.000 0.524 83 N N 2.413 121.184 118.700 0.117 0.000 2.362 83 N HA -0.021 4.718 4.740 -0.001 0.000 0.204 83 N C 0.623 176.163 175.510 0.051 0.000 1.166 83 N CA -0.318 52.788 53.050 0.094 0.000 0.831 83 N CB 0.426 39.006 38.487 0.155 0.000 1.008 83 N HN 0.194 nan 8.380 nan 0.000 0.472 84 N N 0.141 118.861 118.700 0.033 0.000 2.663 84 N HA 0.066 4.806 4.740 -0.001 0.000 0.250 84 N C 1.181 176.686 175.510 -0.009 0.000 1.043 84 N CA 1.402 54.487 53.050 0.058 0.000 0.929 84 N CB 0.853 39.414 38.487 0.124 0.000 1.665 84 N HN 0.341 nan 8.380 nan 0.000 0.484 85 G N 0.563 109.303 108.800 -0.099 0.000 2.391 85 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.204 85 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.204 85 G C 0.906 175.817 174.900 0.018 0.000 1.012 85 G CA 0.504 45.375 45.100 -0.382 0.000 0.651 85 G HN 0.546 nan 8.290 nan 0.000 0.494 86 H N 1.714 120.844 119.070 0.101 0.000 2.353 86 H HA -0.041 4.515 4.556 -0.001 0.000 0.300 86 H C 2.682 178.046 175.328 0.060 0.000 1.090 86 H CA 2.512 58.601 56.048 0.068 0.000 1.327 86 H CB -0.610 29.147 29.762 -0.010 0.000 1.383 86 H HN 0.456 nan 8.280 nan 0.000 0.508 87 G N -0.097 108.749 108.800 0.077 0.000 2.476 87 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 87 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 87 G C 1.762 176.619 174.900 -0.071 0.000 1.164 87 G CA 1.509 46.615 45.100 0.010 0.000 0.768 87 G HN 0.453 nan 8.290 nan 0.000 0.560 88 T N -0.311 114.206 114.554 -0.061 0.000 2.746 88 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 88 T C 1.991 176.628 174.700 -0.105 0.000 1.039 88 T CA 1.555 63.596 62.100 -0.098 0.000 1.142 88 T CB -0.363 68.431 68.868 -0.123 0.000 0.866 88 T HN 0.543 nan 8.240 nan 0.000 0.444 89 H N 0.703 119.699 119.070 -0.122 0.000 2.289 89 H HA -0.084 4.472 4.556 -0.001 0.000 0.296 89 H C 2.115 177.307 175.328 -0.226 0.000 1.091 89 H CA 1.793 57.758 56.048 -0.139 0.000 1.274 89 H CB -0.459 29.221 29.762 -0.135 0.000 1.364 89 H HN 0.094 nan 8.280 nan 0.000 0.490 90 V N 0.642 120.430 119.914 -0.210 0.000 2.255 90 V HA -0.319 3.801 4.120 -0.001 0.000 0.247 90 V C 2.732 178.729 176.094 -0.163 0.000 1.051 90 V CA 1.815 63.994 62.300 -0.202 0.000 1.018 90 V CB -1.313 30.396 31.823 -0.191 0.000 0.641 90 V HN 0.714 nan 8.190 nan 0.000 0.445 91 A N 0.453 123.190 122.820 -0.139 0.000 1.917 91 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 91 A C 2.402 179.910 177.584 -0.127 0.000 1.182 91 A CA 2.248 54.219 52.037 -0.110 0.000 0.633 91 A CB -1.279 17.663 19.000 -0.096 0.000 0.819 91 A HN 0.570 nan 8.150 nan 0.000 0.448 92 G N -1.726 106.965 108.800 -0.181 0.000 2.408 92 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.217 92 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.217 92 G C 1.542 176.344 174.900 -0.164 0.000 1.150 92 G CA 1.539 46.531 45.100 -0.180 0.000 0.776 92 G HN 0.437 nan 8.290 nan 0.000 0.542 93 T N 0.834 115.252 114.554 -0.227 0.000 2.777 93 T HA -0.085 4.265 4.350 -0.001 0.000 0.266 93 T C 2.591 177.210 174.700 -0.135 0.000 1.040 93 T CA 1.195 63.157 62.100 -0.229 0.000 1.141 93 T CB -0.156 68.482 68.868 -0.382 0.000 0.868 93 T HN 0.072 nan 8.240 nan 0.000 0.444 94 V N 0.736 120.587 119.914 -0.105 0.000 2.358 94 V HA 0.098 4.218 4.120 -0.001 0.000 0.246 94 V C 1.773 177.861 176.094 -0.009 0.000 1.047 94 V CA 1.579 63.855 62.300 -0.041 0.000 1.035 94 V CB -0.511 31.293 31.823 -0.031 0.000 0.658 94 V HN 0.556 nan 8.190 nan 0.000 0.452 95 A N -1.278 121.525 122.820 -0.028 0.000 2.683 95 A HA 0.674 4.993 4.320 -0.001 0.000 0.207 95 A C 0.374 177.936 177.584 -0.037 0.000 0.945 95 A CA 0.232 52.253 52.037 -0.026 0.000 1.233 95 A CB -0.486 18.501 19.000 -0.022 0.000 1.227 95 A HN 0.531 nan 8.150 nan 0.000 0.470 96 A N 0.706 123.505 122.820 -0.034 0.000 2.540 96 A HA 0.544 4.863 4.320 -0.001 0.000 0.239 96 A C 0.917 178.489 177.584 -0.021 0.000 1.061 96 A CA 0.678 52.703 52.037 -0.020 0.000 0.758 96 A CB -0.085 18.915 19.000 -0.000 0.000 0.991 96 A HN 1.933 nan 8.150 nan 0.000 0.502 97 A N 2.347 125.160 122.820 -0.012 0.000 2.351 97 A HA 0.432 4.751 4.320 -0.001 0.000 0.257 97 A C 0.331 177.895 177.584 -0.034 0.000 1.087 97 A CA -0.415 51.599 52.037 -0.039 0.000 0.798 97 A CB 0.086 19.072 19.000 -0.022 0.000 1.033 97 A HN 0.827 nan 8.150 nan 0.000 0.488 98 E N 1.156 121.306 120.200 -0.083 0.000 1.944 98 E HA 0.139 4.489 4.350 -0.001 0.000 0.272 98 E C 0.362 176.947 176.600 -0.025 0.000 1.195 98 E CA 0.438 56.803 56.400 -0.060 0.000 0.926 98 E CB 0.156 29.787 29.700 -0.114 0.000 1.051 98 E HN 0.740 nan 8.360 nan 0.000 0.404 99 T N -0.635 113.923 114.554 0.006 0.000 3.010 99 T HA 0.284 4.634 4.350 -0.001 0.000 0.257 99 T C 1.398 176.109 174.700 0.019 0.000 1.020 99 T CA 0.126 62.236 62.100 0.016 0.000 0.938 99 T CB 0.747 69.637 68.868 0.038 0.000 1.049 99 T HN 0.561 nan 8.240 nan 0.000 0.522 100 G N 1.620 110.433 108.800 0.020 0.000 2.336 100 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.233 100 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.233 100 G C 0.336 175.249 174.900 0.021 0.000 1.053 100 G CA 0.468 45.580 45.100 0.021 0.000 0.625 100 G HN 1.443 nan 8.290 nan 0.000 0.511 101 S N -1.111 114.608 115.700 0.030 0.000 2.732 101 S HA 0.915 5.385 4.470 -0.001 0.000 0.293 101 S C 1.101 175.735 174.600 0.056 0.000 1.159 101 S CA 0.783 59.000 58.200 0.027 0.000 0.847 101 S CB 1.733 64.950 63.200 0.027 0.000 1.169 101 S HN 2.448 nan 8.310 nan 0.000 0.501 102 G N 0.180 108.989 108.800 0.016 0.000 2.531 102 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.274 102 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.274 102 G C -0.268 174.581 174.900 -0.085 0.000 1.159 102 G CA 0.055 45.153 45.100 -0.003 0.000 0.969 102 G HN 1.679 nan 8.290 nan 0.000 0.554 103 V N -0.699 119.258 119.914 0.071 0.000 3.126 103 V HA 0.848 4.968 4.120 -0.001 0.000 0.314 103 V C -0.398 175.740 176.094 0.072 0.000 1.138 103 V CA 0.095 62.421 62.300 0.044 0.000 1.034 103 V CB 1.900 33.762 31.823 0.066 0.000 1.075 103 V HN 1.895 nan 8.190 nan 0.000 0.442 104 V N 1.547 121.506 119.914 0.075 0.000 2.888 104 V HA 0.936 5.056 4.120 -0.001 0.000 0.309 104 V C 0.036 176.206 176.094 0.127 0.000 1.114 104 V CA 0.507 62.859 62.300 0.087 0.000 0.940 104 V CB 1.797 33.685 31.823 0.109 0.000 1.021 104 V HN 1.066 nan 8.190 nan 0.000 0.426 105 G N 3.148 112.005 108.800 0.094 0.000 2.568 105 G HA2 0.477 4.436 3.960 -0.001 0.000 0.293 105 G HA3 0.477 4.436 3.960 -0.001 0.000 0.293 105 G C 0.670 175.711 174.900 0.234 0.000 1.347 105 G CA 0.199 45.358 45.100 0.098 0.000 1.039 105 G HN 0.850 nan 8.290 nan 0.000 0.523 106 V N 0.275 120.311 119.914 0.204 0.000 2.453 106 V HA 0.152 4.271 4.120 -0.001 0.000 0.247 106 V C 1.844 178.158 176.094 0.366 0.000 1.048 106 V CA 1.946 64.432 62.300 0.310 0.000 1.049 106 V CB -0.079 31.868 31.823 0.205 0.000 0.672 106 V HN 0.775 nan 8.190 nan 0.000 0.457 107 A N 0.521 123.436 122.820 0.158 0.000 3.064 107 A HA 0.533 4.853 4.320 -0.001 0.000 0.339 107 A C -1.629 175.909 177.584 -0.076 0.000 1.078 107 A CA -1.011 51.059 52.037 0.055 0.000 0.869 107 A CB 0.271 19.307 19.000 0.059 0.000 1.067 107 A HN 0.307 nan 8.150 nan 0.000 0.480 108 P HA -0.037 nan 4.420 nan 0.000 0.239 108 P C 0.616 177.795 177.300 -0.202 0.000 1.184 108 P CA 1.111 64.063 63.100 -0.246 0.000 0.760 108 P CB 0.257 31.689 31.700 -0.446 0.000 0.884 109 K N -1.242 119.050 120.400 -0.180 0.000 2.438 109 K HA 0.347 4.667 4.320 -0.001 0.000 0.206 109 K C 0.585 177.155 176.600 -0.051 0.000 1.081 109 K CA -0.152 56.069 56.287 -0.110 0.000 1.053 109 K CB 0.476 32.904 32.500 -0.120 0.000 0.908 109 K HN -0.050 nan 8.250 nan 0.000 0.556 110 A N 0.763 123.561 122.820 -0.037 0.000 2.386 110 A HA 0.192 4.512 4.320 -0.001 0.000 0.248 110 A C -0.484 177.106 177.584 0.010 0.000 1.082 110 A CA -0.021 52.016 52.037 0.001 0.000 0.789 110 A CB 0.223 19.231 19.000 0.014 0.000 1.025 110 A HN 0.146 nan 8.150 nan 0.000 0.490 111 D N 0.063 120.484 120.400 0.035 0.000 2.229 111 D HA 0.579 5.219 4.640 -0.001 0.000 0.249 111 D C -0.600 175.728 176.300 0.047 0.000 1.027 111 D CA 0.119 54.148 54.000 0.048 0.000 0.923 111 D CB 1.424 42.273 40.800 0.082 0.000 1.174 111 D HN 0.392 nan 8.370 nan 0.000 0.443 112 L N 1.451 122.695 121.223 0.036 0.000 2.329 112 L HA 0.455 4.795 4.340 -0.001 0.000 0.279 112 L C -0.494 176.386 176.870 0.017 0.000 1.014 112 L CA -0.957 53.895 54.840 0.021 0.000 0.814 112 L CB 1.426 43.478 42.059 -0.011 0.000 1.257 112 L HN 0.189 nan 8.230 nan 0.000 0.424 113 F N 3.752 123.592 119.950 -0.184 0.000 2.436 113 F HA 0.545 5.072 4.527 -0.001 0.000 0.340 113 F C -0.320 175.321 175.800 -0.266 0.000 1.113 113 F CA -0.671 57.135 58.000 -0.324 0.000 1.022 113 F CB 1.202 39.870 39.000 -0.552 0.000 1.128 113 F HN 0.157 nan 8.300 nan 0.000 0.466 114 I N 7.634 127.723 120.570 -0.802 0.000 2.307 114 I HA 0.273 4.443 4.170 -0.001 0.000 0.289 114 I C -0.245 175.571 176.117 -0.502 0.000 1.021 114 I CA -0.522 60.505 61.300 -0.454 0.000 1.224 114 I CB 0.895 38.772 38.000 -0.204 0.000 1.376 114 I HN 0.474 nan 8.210 nan 0.000 0.470 115 I N 6.403 126.848 120.570 -0.208 0.000 2.347 115 I HA 0.207 4.377 4.170 -0.001 0.000 0.283 115 I C 0.693 176.760 176.117 -0.084 0.000 1.058 115 I CA -0.651 60.554 61.300 -0.159 0.000 1.202 115 I CB 0.661 38.639 38.000 -0.037 0.000 1.386 115 I HN 0.449 nan 8.210 nan 0.000 0.475 116 K N 5.762 126.107 120.400 -0.092 0.000 2.228 116 K HA 0.351 4.670 4.320 -0.001 0.000 0.284 116 K C 0.621 177.187 176.600 -0.057 0.000 1.088 116 K CA 0.050 56.324 56.287 -0.023 0.000 0.941 116 K CB 0.573 33.094 32.500 0.035 0.000 1.158 116 K HN 0.777 nan 8.250 nan 0.000 0.438 117 A N 5.487 128.317 122.820 0.016 0.000 2.419 117 A HA 0.256 4.576 4.320 -0.001 0.000 0.233 117 A C 0.029 177.744 177.584 0.218 0.000 1.217 117 A CA -0.292 51.794 52.037 0.080 0.000 0.944 117 A CB 0.373 19.436 19.000 0.106 0.000 1.025 117 A HN 0.574 nan 8.150 nan 0.000 0.524 118 L N 0.003 121.327 121.223 0.169 0.000 2.325 118 L HA 0.478 4.818 4.340 -0.001 0.000 0.278 118 L C 0.677 177.639 176.870 0.153 0.000 1.023 118 L CA -0.627 54.339 54.840 0.210 0.000 0.811 118 L CB 1.764 43.929 42.059 0.176 0.000 1.249 118 L HN 0.069 nan 8.230 nan 0.000 0.431 119 S N 0.912 116.729 115.700 0.195 0.000 2.634 119 S HA 0.131 4.600 4.470 -0.001 0.000 0.254 119 S C 1.305 175.943 174.600 0.063 0.000 1.299 119 S CA 0.304 58.566 58.200 0.104 0.000 0.974 119 S CB 1.020 64.314 63.200 0.157 0.000 1.001 119 S HN 0.872 nan 8.310 nan 0.000 0.584 120 G N 1.062 109.876 108.800 0.022 0.000 2.440 120 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 120 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 120 G C 0.857 175.796 174.900 0.065 0.000 1.154 120 G CA 1.241 46.365 45.100 0.039 0.000 0.767 120 G HN 0.833 nan 8.290 nan 0.000 0.552 121 D N -0.413 120.026 120.400 0.064 0.000 2.363 121 D HA 0.204 4.843 4.640 -0.001 0.000 0.226 121 D C 1.641 177.987 176.300 0.076 0.000 1.020 121 D CA 0.712 54.749 54.000 0.063 0.000 0.892 121 D CB -0.604 40.225 40.800 0.048 0.000 0.900 121 D HN 0.594 nan 8.370 nan 0.000 0.531 122 G N -0.214 108.645 108.800 0.098 0.000 2.132 122 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.234 122 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.234 122 G C 0.159 175.131 174.900 0.120 0.000 0.989 122 G CA 0.357 45.523 45.100 0.110 0.000 0.676 122 G HN 0.953 nan 8.290 nan 0.000 0.522 123 S N -1.231 114.545 115.700 0.126 0.000 2.599 123 S HA 0.984 5.453 4.470 -0.001 0.000 0.287 123 S C -0.082 174.616 174.600 0.163 0.000 1.105 123 S CA 0.247 58.524 58.200 0.129 0.000 0.899 123 S CB 2.875 66.121 63.200 0.077 0.000 1.100 123 S HN 1.934 nan 8.310 nan 0.000 0.482 124 G N 0.257 109.126 108.800 0.115 0.000 2.677 124 G HA2 0.529 4.489 3.960 -0.001 0.000 0.291 124 G HA3 0.529 4.489 3.960 -0.001 0.000 0.291 124 G C -1.616 173.099 174.900 -0.309 0.000 1.435 124 G CA -0.841 44.272 45.100 0.021 0.000 0.826 124 G HN 0.758 nan 8.290 nan 0.000 0.491 125 E N 0.480 120.063 120.200 -1.028 0.000 2.398 125 E HA 0.129 4.479 4.350 -0.001 0.000 0.263 125 E C 1.610 177.920 176.600 -0.484 0.000 1.046 125 E CA -0.154 55.737 56.400 -0.849 0.000 0.908 125 E CB 1.322 30.204 29.700 -1.363 0.000 0.963 125 E HN 0.596 nan 8.360 nan 0.000 0.431 126 M N 1.987 121.389 119.600 -0.331 0.000 2.159 126 M HA -0.048 4.431 4.480 -0.001 0.000 0.263 126 M C 1.742 177.862 176.300 -0.300 0.000 1.063 126 M CA 2.349 57.350 55.300 -0.498 0.000 1.110 126 M CB -0.861 31.506 32.600 -0.387 0.000 1.374 126 M HN 0.529 nan 8.290 nan 0.000 0.411 127 G N -0.127 108.557 108.800 -0.193 0.000 2.503 127 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.221 127 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.221 127 G C 1.017 175.993 174.900 0.127 0.000 1.131 127 G CA 1.167 46.244 45.100 -0.040 0.000 0.756 127 G HN 0.655 nan 8.290 nan 0.000 0.572 128 W N 0.533 121.789 121.300 -0.072 0.000 2.358 128 W HA 0.137 4.796 4.660 -0.001 0.000 0.303 128 W C 2.510 178.991 176.519 -0.063 0.000 1.208 128 W CA -0.007 57.305 57.345 -0.056 0.000 1.274 128 W CB -1.143 28.291 29.460 -0.044 0.000 1.138 128 W HN 0.197 nan 8.180 nan 0.000 0.515 129 I N 0.215 120.848 120.570 0.106 0.000 2.353 129 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 129 I C 2.567 178.695 176.117 0.018 0.000 1.119 129 I CA 1.330 62.644 61.300 0.023 0.000 1.417 129 I CB -0.833 37.100 38.000 -0.113 0.000 1.078 129 I HN -0.148 nan 8.210 nan 0.000 0.421 130 A N 0.545 123.356 122.820 -0.014 0.000 1.877 130 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 130 A C 2.384 180.002 177.584 0.057 0.000 1.186 130 A CA 1.645 53.690 52.037 0.014 0.000 0.620 130 A CB -0.491 18.500 19.000 -0.015 0.000 0.822 130 A HN 0.260 nan 8.150 nan 0.000 0.443 131 K N -0.510 119.936 120.400 0.078 0.000 2.097 131 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 131 K C 2.252 178.931 176.600 0.132 0.000 1.049 131 K CA 1.077 57.425 56.287 0.102 0.000 0.933 131 K CB -0.292 32.271 32.500 0.106 0.000 0.717 131 K HN 0.430 nan 8.250 nan 0.000 0.442 132 A N 1.386 124.268 122.820 0.104 0.000 1.883 132 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 132 A C 2.068 179.746 177.584 0.158 0.000 1.186 132 A CA 1.496 53.593 52.037 0.100 0.000 0.624 132 A CB -0.579 18.464 19.000 0.072 0.000 0.822 132 A HN 0.254 nan 8.150 nan 0.000 0.444 133 I N -0.567 120.086 120.570 0.139 0.000 2.099 133 I HA -0.328 3.841 4.170 -0.001 0.000 0.239 133 I C 2.800 179.036 176.117 0.198 0.000 1.066 133 I CA 1.800 63.192 61.300 0.153 0.000 1.324 133 I CB -0.412 37.669 38.000 0.136 0.000 1.037 133 I HN 0.290 nan 8.210 nan 0.000 0.401 134 R N -0.299 120.317 120.500 0.193 0.000 2.094 134 R HA -0.260 4.080 4.340 -0.001 0.000 0.239 134 R C 2.433 178.868 176.300 0.225 0.000 1.137 134 R CA 2.230 58.457 56.100 0.211 0.000 0.943 134 R CB -1.070 29.262 30.300 0.052 0.000 0.850 134 R HN 0.329 nan 8.270 nan 0.000 0.433 135 Y N 1.363 121.720 120.300 0.095 0.000 2.102 135 Y HA -0.369 4.180 4.550 -0.001 0.000 0.280 135 Y C 2.477 178.425 175.900 0.081 0.000 1.178 135 Y CA 2.004 60.156 58.100 0.087 0.000 1.146 135 Y CB -0.343 38.156 38.460 0.065 0.000 0.968 135 Y HN 0.158 nan 8.280 nan 0.000 0.504 136 A N -1.134 121.849 122.820 0.271 0.000 1.930 136 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 136 A C 2.291 179.926 177.584 0.085 0.000 1.175 136 A CA 1.770 53.892 52.037 0.142 0.000 0.627 136 A CB -1.220 17.855 19.000 0.125 0.000 0.815 136 A HN 0.331 nan 8.150 nan 0.000 0.443 137 V N 0.575 120.553 119.914 0.107 0.000 2.407 137 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 137 V C 1.782 177.896 176.094 0.033 0.000 1.055 137 V CA 2.260 64.592 62.300 0.055 0.000 1.049 137 V CB -0.644 31.208 31.823 0.049 0.000 0.662 137 V HN 0.478 nan 8.190 nan 0.000 0.455 138 D N -2.193 118.232 120.400 0.042 0.000 2.348 138 D HA -0.010 4.629 4.640 -0.001 0.000 0.211 138 D C 0.544 176.773 176.300 -0.119 0.000 0.998 138 D CA -0.084 53.903 54.000 -0.023 0.000 0.873 138 D CB 0.020 40.807 40.800 -0.022 0.000 0.925 138 D HN 0.599 nan 8.370 nan 0.000 0.524 139 W N 2.929 124.010 121.300 -0.365 0.000 2.253 139 W HA 0.176 4.835 4.660 -0.001 0.000 0.322 139 W C -0.102 176.244 176.519 -0.288 0.000 1.342 139 W CA -0.365 56.718 57.345 -0.436 0.000 1.218 139 W CB 0.560 29.656 29.460 -0.607 0.000 1.205 139 W HN -0.346 nan 8.180 nan 0.000 0.551 140 R N 5.199 125.087 120.500 -1.020 0.000 2.494 140 R HA 0.433 4.773 4.340 -0.001 0.000 0.305 140 R C 0.328 175.658 176.300 -1.616 0.000 0.959 140 R CA -0.800 54.637 56.100 -1.105 0.000 0.864 140 R CB 1.028 31.000 30.300 -0.547 0.000 1.159 140 R HN 0.781 nan 8.270 nan 0.000 0.446 141 G N 2.341 110.137 108.800 -1.674 0.000 2.569 141 G HA2 0.213 4.172 3.960 -0.001 0.000 0.249 141 G HA3 0.213 4.172 3.960 -0.001 0.000 0.249 141 G C -1.539 173.120 174.900 -0.402 0.000 1.216 141 G CA -1.067 43.490 45.100 -0.905 0.000 0.845 141 G HN 0.262 nan 8.290 nan 0.000 0.568 142 P HA -0.052 nan 4.420 nan 0.000 0.220 142 P C 0.969 178.211 177.300 -0.096 0.000 1.144 142 P CA 1.186 64.227 63.100 -0.099 0.000 0.800 142 P CB 0.251 31.943 31.700 -0.013 0.000 0.772 143 K N -1.039 119.304 120.400 -0.095 0.000 2.570 143 K HA 0.367 4.686 4.320 -0.001 0.000 0.210 143 K C 0.749 177.286 176.600 -0.104 0.000 1.048 143 K CA 0.301 56.543 56.287 -0.075 0.000 1.167 143 K CB -0.358 32.121 32.500 -0.035 0.000 0.892 143 K HN 0.073 nan 8.250 nan 0.000 0.480 144 G N 1.561 110.263 108.800 -0.164 0.000 2.137 144 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.237 144 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.237 144 G C -0.445 174.332 174.900 -0.204 0.000 1.002 144 G CA -0.170 44.824 45.100 -0.176 0.000 0.702 144 G HN 0.411 nan 8.290 nan 0.000 0.515 145 E N 0.155 120.190 120.200 -0.275 0.000 2.349 145 E HA 0.584 4.934 4.350 -0.001 0.000 0.265 145 E C 0.585 177.007 176.600 -0.298 0.000 1.064 145 E CA 0.043 56.312 56.400 -0.219 0.000 0.886 145 E CB 0.555 30.175 29.700 -0.132 0.000 1.036 145 E HN 0.732 nan 8.360 nan 0.000 0.413 146 Q N 0.961 120.726 119.800 -0.058 0.000 2.482 146 Q HA 0.483 4.823 4.340 -0.001 0.000 0.286 146 Q C -1.192 174.906 176.000 0.164 0.000 1.007 146 Q CA -0.891 54.941 55.803 0.049 0.000 0.801 146 Q CB 1.227 29.940 28.738 -0.043 0.000 1.455 146 Q HN 0.382 nan 8.270 nan 0.000 0.398 147 M N 1.345 121.061 119.600 0.194 0.000 2.274 147 M HA 0.405 4.884 4.480 -0.001 0.000 0.344 147 M C 0.594 176.930 176.300 0.060 0.000 1.161 147 M CA -0.435 54.933 55.300 0.112 0.000 1.126 147 M CB 1.011 33.650 32.600 0.066 0.000 1.522 147 M HN 0.568 nan 8.290 nan 0.000 0.461 148 R N 1.923 122.453 120.500 0.051 0.000 2.404 148 R HA 0.455 4.794 4.340 -0.001 0.000 0.237 148 R C -0.391 175.933 176.300 0.040 0.000 0.907 148 R CA 0.371 56.492 56.100 0.034 0.000 1.063 148 R CB 0.400 30.719 30.300 0.032 0.000 1.134 148 R HN 0.621 nan 8.270 nan 0.000 0.529 149 I N 1.146 121.745 120.570 0.048 0.000 2.619 149 I HA 0.371 4.540 4.170 -0.001 0.000 0.292 149 I C -0.933 175.218 176.117 0.058 0.000 1.100 149 I CA -1.008 60.324 61.300 0.054 0.000 1.043 149 I CB 2.458 40.491 38.000 0.056 0.000 1.239 149 I HN -0.318 nan 8.210 nan 0.000 0.420 150 I N 3.416 124.025 120.570 0.066 0.000 2.545 150 I HA 0.495 4.664 4.170 -0.001 0.000 0.292 150 I C -0.148 176.016 176.117 0.078 0.000 1.040 150 I CA -0.488 60.856 61.300 0.074 0.000 1.068 150 I CB 1.989 40.039 38.000 0.084 0.000 1.251 150 I HN 0.507 nan 8.210 nan 0.000 0.424 151 T N 7.972 122.572 114.554 0.077 0.000 2.881 151 T HA 0.833 5.182 4.350 -0.001 0.000 0.290 151 T C -0.787 173.970 174.700 0.095 0.000 1.000 151 T CA -0.548 61.601 62.100 0.081 0.000 0.978 151 T CB 0.775 69.681 68.868 0.064 0.000 0.997 151 T HN 0.577 nan 8.240 nan 0.000 0.443 152 M N 2.079 121.745 119.600 0.110 0.000 2.531 152 M HA 0.673 5.152 4.480 -0.001 0.000 0.286 152 M C -1.064 175.320 176.300 0.140 0.000 1.232 152 M CA -0.842 54.538 55.300 0.132 0.000 0.877 152 M CB 2.226 34.909 32.600 0.139 0.000 1.726 152 M HN 0.299 nan 8.290 nan 0.000 0.463 153 S N 2.794 118.593 115.700 0.164 0.000 2.384 153 S HA 0.532 5.002 4.470 -0.001 0.000 0.227 153 S C -0.752 173.914 174.600 0.110 0.000 1.257 153 S CA -0.692 57.594 58.200 0.144 0.000 1.249 153 S CB -0.409 62.924 63.200 0.222 0.000 1.018 153 S HN 0.573 nan 8.310 nan 0.000 0.478 154 L N -2.101 119.213 121.223 0.151 0.000 2.359 154 L HA 1.125 5.465 4.340 -0.001 0.000 0.256 154 L C -0.325 176.701 176.870 0.259 0.000 1.026 154 L CA -0.766 54.196 54.840 0.204 0.000 0.828 154 L CB 1.251 43.454 42.059 0.240 0.000 1.406 154 L HN 0.088 nan 8.230 nan 0.000 0.413 155 G N -1.353 107.643 108.800 0.327 0.000 2.720 155 G HA2 0.726 4.686 3.960 -0.001 0.000 0.295 155 G HA3 0.726 4.686 3.960 -0.001 0.000 0.295 155 G C -1.426 173.425 174.900 -0.082 0.000 1.437 155 G CA -0.298 44.947 45.100 0.241 0.000 0.886 155 G HN 1.008 nan 8.290 nan 0.000 0.509 156 G N -0.255 108.157 108.800 -0.647 0.000 2.690 156 G HA2 0.749 4.709 3.960 -0.001 0.000 0.293 156 G HA3 0.749 4.709 3.960 -0.001 0.000 0.293 156 G C -2.147 172.290 174.900 -0.771 0.000 1.399 156 G CA -1.171 43.125 45.100 -1.340 0.000 0.890 156 G HN 0.367 nan 8.290 nan 0.000 0.485 157 P HA 0.082 nan 4.420 nan 0.000 0.240 157 P C 0.541 177.811 177.300 -0.051 0.000 1.190 157 P CA 0.385 63.360 63.100 -0.209 0.000 0.781 157 P CB 0.341 31.900 31.700 -0.235 0.000 0.931 158 T N 2.057 116.528 114.554 -0.138 0.000 2.814 158 T HA 0.096 4.445 4.350 -0.001 0.000 0.297 158 T C 0.063 174.656 174.700 -0.178 0.000 0.956 158 T CA 0.315 62.390 62.100 -0.042 0.000 1.123 158 T CB 0.229 69.181 68.868 0.140 0.000 0.902 158 T HN -0.060 nan 8.240 nan 0.000 0.528 159 D N 2.834 122.978 120.400 -0.426 0.000 2.500 159 D HA 0.139 4.779 4.640 -0.001 0.000 0.219 159 D C 0.066 176.272 176.300 -0.156 0.000 1.137 159 D CA -0.276 53.316 54.000 -0.681 0.000 0.946 159 D CB 0.151 40.453 40.800 -0.829 0.000 1.022 159 D HN 0.401 nan 8.370 nan 0.000 0.518 160 S N 2.755 118.458 115.700 0.004 0.000 2.523 160 S HA 0.113 4.583 4.470 -0.001 0.000 0.275 160 S C 1.246 175.881 174.600 0.058 0.000 1.281 160 S CA -0.457 57.767 58.200 0.040 0.000 1.050 160 S CB 1.077 64.307 63.200 0.050 0.000 0.937 160 S HN 0.302 nan 8.310 nan 0.000 0.492 161 E N 3.134 123.351 120.200 0.029 0.000 2.204 161 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 161 E C 1.611 178.208 176.600 -0.005 0.000 0.989 161 E CA 0.787 57.199 56.400 0.019 0.000 0.824 161 E CB -0.115 29.586 29.700 0.001 0.000 0.756 161 E HN 0.895 nan 8.360 nan 0.000 0.477 162 E N 0.339 120.535 120.200 -0.008 0.000 2.058 162 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 162 E C 2.036 178.628 176.600 -0.013 0.000 0.997 162 E CA 0.700 57.087 56.400 -0.022 0.000 0.801 162 E CB 0.046 29.731 29.700 -0.025 0.000 0.746 162 E HN 0.055 nan 8.360 nan 0.000 0.450 163 L N 0.516 121.746 121.223 0.011 0.000 2.072 163 L HA -0.143 4.197 4.340 -0.001 0.000 0.205 163 L C 2.153 179.049 176.870 0.043 0.000 1.079 163 L CA 2.001 56.866 54.840 0.042 0.000 0.752 163 L CB -0.860 41.246 42.059 0.078 0.000 0.906 163 L HN 0.252 nan 8.230 nan 0.000 0.436 164 H N -1.301 117.631 119.070 -0.230 0.000 2.387 164 H HA -0.162 4.394 4.556 -0.001 0.000 0.299 164 H C 1.565 176.725 175.328 -0.281 0.000 1.090 164 H CA 1.149 56.839 56.048 -0.597 0.000 1.332 164 H CB 0.419 29.709 29.762 -0.786 0.000 1.386 164 H HN 0.363 nan 8.280 nan 0.000 0.516 165 D N 0.257 120.593 120.400 -0.107 0.000 2.117 165 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 165 D C 2.209 178.486 176.300 -0.039 0.000 0.987 165 D CA 1.107 55.041 54.000 -0.110 0.000 0.829 165 D CB -0.418 40.328 40.800 -0.089 0.000 0.961 165 D HN 0.482 nan 8.370 nan 0.000 0.460 166 A N 0.401 123.216 122.820 -0.007 0.000 1.933 166 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 166 A C 2.511 180.165 177.584 0.117 0.000 1.175 166 A CA 1.122 53.197 52.037 0.064 0.000 0.628 166 A CB -0.706 18.328 19.000 0.057 0.000 0.814 166 A HN 0.162 nan 8.150 nan 0.000 0.444 167 V N -0.055 119.902 119.914 0.071 0.000 2.427 167 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 167 V C 2.433 178.563 176.094 0.059 0.000 1.051 167 V CA 2.283 64.638 62.300 0.093 0.000 1.048 167 V CB -0.525 31.376 31.823 0.130 0.000 0.666 167 V HN 0.557 nan 8.190 nan 0.000 0.456 168 K N -1.109 119.289 120.400 -0.003 0.000 2.147 168 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 168 K C 2.145 178.769 176.600 0.039 0.000 1.049 168 K CA 1.744 58.011 56.287 -0.035 0.000 0.936 168 K CB -0.302 32.117 32.500 -0.134 0.000 0.722 168 K HN 0.549 nan 8.250 nan 0.000 0.446 169 Y N 1.467 121.735 120.300 -0.052 0.000 2.200 169 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 169 Y C 2.148 178.037 175.900 -0.018 0.000 1.137 169 Y CA 1.100 59.180 58.100 -0.034 0.000 1.163 169 Y CB -0.429 38.015 38.460 -0.026 0.000 0.988 169 Y HN 0.028 nan 8.280 nan 0.000 0.518 170 A N -0.418 122.407 122.820 0.009 0.000 1.851 170 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 170 A C 2.372 179.900 177.584 -0.093 0.000 1.195 170 A CA 2.384 54.383 52.037 -0.064 0.000 0.622 170 A CB -1.421 17.604 19.000 0.041 0.000 0.831 170 A HN 0.300 nan 8.150 nan 0.000 0.444 171 V N 0.660 120.548 119.914 -0.043 0.000 2.392 171 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 171 V C 2.966 179.017 176.094 -0.072 0.000 1.059 171 V CA 2.439 64.713 62.300 -0.044 0.000 1.051 171 V CB -0.775 31.033 31.823 -0.025 0.000 0.658 171 V HN 0.820 nan 8.190 nan 0.000 0.455 172 S N 0.169 115.813 115.700 -0.093 0.000 2.453 172 S HA -0.113 4.357 4.470 -0.001 0.000 0.231 172 S C 1.363 175.875 174.600 -0.146 0.000 1.005 172 S CA 1.176 59.316 58.200 -0.101 0.000 0.949 172 S CB -0.517 62.637 63.200 -0.075 0.000 0.774 172 S HN 0.725 nan 8.310 nan 0.000 0.510 173 N N 2.245 120.808 118.700 -0.228 0.000 2.327 173 N HA 0.143 4.882 4.740 -0.001 0.000 0.231 173 N C -0.690 174.734 175.510 -0.144 0.000 1.130 173 N CA -0.007 52.905 53.050 -0.230 0.000 0.845 173 N CB -0.025 38.230 38.487 -0.387 0.000 1.073 173 N HN 0.360 nan 8.380 nan 0.000 0.496 174 N N 0.401 119.041 118.700 -0.100 0.000 2.740 174 N HA -0.138 4.602 4.740 -0.001 0.000 0.248 174 N C -0.977 174.509 175.510 -0.041 0.000 1.062 174 N CA 0.465 53.480 53.050 -0.059 0.000 0.704 174 N CB -1.314 37.144 38.487 -0.049 0.000 0.968 174 N HN 0.047 nan 8.380 nan 0.000 0.547 175 V N 0.490 120.378 119.914 -0.043 0.000 2.435 175 V HA 0.296 4.416 4.120 -0.001 0.000 0.290 175 V C 0.704 176.806 176.094 0.013 0.000 1.030 175 V CA -0.578 61.715 62.300 -0.011 0.000 0.881 175 V CB 2.072 33.888 31.823 -0.013 0.000 0.983 175 V HN 0.178 nan 8.190 nan 0.000 0.445 176 S N 3.459 119.179 115.700 0.035 0.000 2.523 176 S HA 0.467 4.936 4.470 -0.001 0.000 0.275 176 S C -0.216 174.422 174.600 0.064 0.000 1.281 176 S CA -0.354 57.879 58.200 0.055 0.000 1.050 176 S CB 1.129 64.371 63.200 0.070 0.000 0.937 176 S HN 0.489 nan 8.310 nan 0.000 0.492 177 V N 4.989 124.946 119.914 0.072 0.000 2.409 177 V HA 0.435 4.555 4.120 -0.001 0.000 0.291 177 V C -0.286 175.867 176.094 0.099 0.000 1.020 177 V CA -0.601 61.752 62.300 0.088 0.000 0.848 177 V CB 1.583 33.465 31.823 0.099 0.000 0.990 177 V HN 0.616 nan 8.190 nan 0.000 0.430 178 V N 4.177 124.151 119.914 0.100 0.000 2.459 178 V HA 0.592 4.712 4.120 -0.001 0.000 0.295 178 V C -0.362 175.795 176.094 0.105 0.000 1.029 178 V CA -0.362 61.999 62.300 0.101 0.000 0.874 178 V CB 1.813 33.692 31.823 0.093 0.000 0.985 178 V HN 1.000 nan 8.190 nan 0.000 0.438 179 C N 4.370 123.732 119.300 0.103 0.000 2.782 179 C HA 0.800 5.259 4.460 -0.001 0.000 0.328 179 C C 0.489 175.529 174.990 0.083 0.000 1.145 179 C CA -0.543 58.536 59.018 0.102 0.000 1.358 179 C CB 0.839 28.650 27.740 0.118 0.000 1.841 179 C HN 1.134 nan 8.230 nan 0.000 0.477 180 A N 3.503 126.372 122.820 0.080 0.000 2.498 180 A HA 0.521 4.841 4.320 -0.001 0.000 0.239 180 A C 0.555 178.159 177.584 0.033 0.000 1.068 180 A CA 0.540 52.611 52.037 0.057 0.000 0.766 180 A CB 0.184 19.217 19.000 0.055 0.000 1.003 180 A HN 1.964 nan 8.150 nan 0.000 0.497 181 A N 3.024 125.851 122.820 0.012 0.000 2.437 181 A HA 0.526 4.846 4.320 -0.001 0.000 0.303 181 A C 1.006 178.568 177.584 -0.037 0.000 1.324 181 A CA 0.158 52.187 52.037 -0.013 0.000 0.983 181 A CB -0.749 18.242 19.000 -0.015 0.000 1.142 181 A HN 1.852 nan 8.150 nan 0.000 0.541 182 G N 3.355 112.136 108.800 -0.030 0.000 2.109 182 G HA2 0.139 4.099 3.960 -0.001 0.000 0.249 182 G HA3 0.139 4.099 3.960 -0.001 0.000 0.249 182 G C 0.480 175.345 174.900 -0.058 0.000 1.126 182 G CA 0.289 45.367 45.100 -0.037 0.000 0.923 182 G HN 1.065 nan 8.290 nan 0.000 0.439 193 E N -0.419 119.654 120.200 -0.212 0.000 5.052 193 E HA -0.230 4.119 4.350 -0.001 0.000 0.167 193 E C -0.208 175.972 176.600 -0.700 0.000 1.146 193 E CA 2.103 58.230 56.400 -0.454 0.000 2.262 193 E CB -1.441 27.953 29.700 -0.510 0.000 1.785 193 E HN 0.411 nan 8.360 nan 0.000 0.455 194 F N -0.891 118.955 119.950 -0.174 0.000 2.698 194 F HA 0.581 5.108 4.527 -0.000 0.000 0.304 194 F C 1.612 177.281 175.800 -0.219 0.000 1.108 194 F CA 0.277 58.171 58.000 -0.176 0.000 1.263 194 F CB 0.318 39.249 39.000 -0.114 0.000 1.013 194 F HN 0.191 nan 8.300 nan 0.000 0.532 195 A N -0.504 122.188 122.820 -0.214 0.000 1.940 195 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 195 A C 0.214 177.379 177.584 -0.698 0.000 1.176 195 A CA 1.441 53.178 52.037 -0.501 0.000 0.631 195 A CB -0.768 17.776 19.000 -0.760 0.000 0.814 195 A HN 0.339 nan 8.150 nan 0.000 0.446 196 Y N -1.673 118.525 120.300 -0.170 0.000 2.409 196 Y HA 0.414 4.964 4.550 -0.000 0.000 0.339 196 Y C -1.629 174.360 175.900 0.148 0.000 1.033 196 Y CA -2.313 55.676 58.100 -0.184 0.000 1.094 196 Y CB 1.171 39.492 38.460 -0.233 0.000 1.210 196 Y HN 0.000 nan 8.280 nan 0.000 0.456 197 P HA -0.024 nan 4.420 nan 0.000 0.245 197 P C 0.961 178.278 177.300 0.029 0.000 1.206 197 P CA 1.049 64.270 63.100 0.202 0.000 0.781 197 P CB 0.187 32.130 31.700 0.404 0.000 0.994 198 A N 1.609 124.425 122.820 -0.008 0.000 1.927 198 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 198 A C 2.453 179.978 177.584 -0.100 0.000 1.185 198 A CA 2.339 54.360 52.037 -0.026 0.000 0.639 198 A CB -1.572 17.409 19.000 -0.032 0.000 0.820 198 A HN 0.261 nan 8.150 nan 0.000 0.451 199 A N -1.721 120.913 122.820 -0.309 0.000 2.070 199 A HA 0.078 4.397 4.320 -0.001 0.000 0.220 199 A C 0.737 178.261 177.584 -0.099 0.000 1.159 199 A CA 0.528 52.376 52.037 -0.315 0.000 0.656 199 A CB -0.567 18.026 19.000 -0.677 0.000 0.800 199 A HN 0.466 nan 8.150 nan 0.000 0.453 200 Y N 0.053 120.359 120.300 0.011 0.000 2.511 200 Y HA 0.067 4.617 4.550 -0.000 0.000 0.332 200 Y C 1.471 177.398 175.900 0.044 0.000 1.177 200 Y CA -0.051 58.047 58.100 -0.004 0.000 1.422 200 Y CB 0.073 38.506 38.460 -0.045 0.000 1.271 200 Y HN 0.348 nan 8.280 nan 0.000 0.550 201 N N 1.787 120.642 118.700 0.259 0.000 2.289 201 N HA -0.180 4.560 4.740 -0.001 0.000 0.184 201 N C 1.328 176.880 175.510 0.069 0.000 1.016 201 N CA 1.463 54.595 53.050 0.136 0.000 0.872 201 N CB 0.148 38.712 38.487 0.128 0.000 0.973 201 N HN 0.699 nan 8.380 nan 0.000 0.433 202 E N -0.522 119.748 120.200 0.116 0.000 2.489 202 E HA 0.040 4.389 4.350 -0.001 0.000 0.193 202 E C 0.024 176.642 176.600 0.031 0.000 1.057 202 E CA -0.034 56.383 56.400 0.029 0.000 0.866 202 E CB -0.131 29.586 29.700 0.028 0.000 0.916 202 E HN 0.066 nan 8.360 nan 0.000 0.500 203 V N 2.048 122.020 119.914 0.097 0.000 2.686 203 V HA 0.189 4.308 4.120 -0.001 0.000 0.295 203 V C 0.592 176.721 176.094 0.059 0.000 1.057 203 V CA -0.583 61.777 62.300 0.101 0.000 1.012 203 V CB 1.388 33.311 31.823 0.166 0.000 1.006 203 V HN 0.117 nan 8.190 nan 0.000 0.477 204 I N 3.883 124.504 120.570 0.085 0.000 2.322 204 I HA 0.418 4.587 4.170 -0.001 0.000 0.292 204 I C 0.520 176.704 176.117 0.112 0.000 1.060 204 I CA 0.137 61.512 61.300 0.125 0.000 1.309 204 I CB 0.945 39.053 38.000 0.179 0.000 1.415 204 I HN 0.665 nan 8.210 nan 0.000 0.492 205 A N 7.265 130.147 122.820 0.103 0.000 2.253 205 A HA 0.636 4.956 4.320 -0.001 0.000 0.316 205 A C -0.381 177.247 177.584 0.072 0.000 1.327 205 A CA -0.458 51.623 52.037 0.074 0.000 0.917 205 A CB 0.541 19.569 19.000 0.046 0.000 1.162 205 A HN 0.461 nan 8.150 nan 0.000 0.535 206 V N 3.247 123.199 119.914 0.064 0.000 2.370 206 V HA 0.585 4.705 4.120 -0.001 0.000 0.279 206 V C 1.084 177.203 176.094 0.041 0.000 1.029 206 V CA -0.059 62.277 62.300 0.059 0.000 0.870 206 V CB 1.050 32.915 31.823 0.071 0.000 0.984 206 V HN 1.017 nan 8.190 nan 0.000 0.451 207 G N 3.059 111.879 108.800 0.033 0.000 2.547 207 G HA2 0.697 4.657 3.960 -0.001 0.000 0.291 207 G HA3 0.697 4.657 3.960 -0.001 0.000 0.291 207 G C -0.452 174.460 174.900 0.020 0.000 1.211 207 G CA -0.164 44.943 45.100 0.011 0.000 0.950 207 G HN 1.094 nan 8.290 nan 0.000 0.504 208 A N -0.881 121.935 122.820 -0.007 0.000 2.365 208 A HA 0.775 5.095 4.320 -0.001 0.000 0.318 208 A C -0.253 177.310 177.584 -0.036 0.000 1.091 208 A CA -0.420 51.611 52.037 -0.010 0.000 0.763 208 A CB 1.622 20.606 19.000 -0.026 0.000 1.248 208 A HN 1.867 nan 8.150 nan 0.000 0.442 209 V N -0.203 119.695 119.914 -0.026 0.000 3.102 209 V HA 0.800 4.920 4.120 -0.001 0.000 0.312 209 V C -0.510 175.497 176.094 -0.145 0.000 1.135 209 V CA -0.847 61.412 62.300 -0.069 0.000 1.022 209 V CB 1.779 33.583 31.823 -0.032 0.000 1.056 209 V HN 0.969 nan 8.190 nan 0.000 0.436 210 D N 0.640 120.939 120.400 -0.168 0.000 2.451 210 D HA 0.279 4.919 4.640 -0.001 0.000 0.259 210 D C 0.571 176.724 176.300 -0.246 0.000 1.201 210 D CA -0.650 53.186 54.000 -0.272 0.000 1.028 210 D CB 0.380 41.078 40.800 -0.170 0.000 1.095 210 D HN 0.351 nan 8.370 nan 0.000 0.539 211 F N -0.523 119.403 119.950 -0.039 0.000 2.408 211 F HA -0.022 4.505 4.527 -0.001 0.000 0.300 211 F C 1.738 177.480 175.800 -0.096 0.000 1.090 211 F CA 0.678 58.640 58.000 -0.063 0.000 1.427 211 F CB -0.412 38.571 39.000 -0.029 0.000 1.070 211 F HN 0.318 nan 8.300 nan 0.000 0.549 212 D N -0.218 120.220 120.400 0.062 0.000 2.339 212 D HA 0.086 4.725 4.640 -0.001 0.000 0.217 212 D C 1.313 177.585 176.300 -0.046 0.000 1.050 212 D CA 0.344 54.348 54.000 0.008 0.000 0.856 212 D CB 0.389 41.200 40.800 0.017 0.000 0.922 212 D HN 0.248 nan 8.370 nan 0.000 0.518 213 L N 0.513 121.681 121.223 -0.092 0.000 4.613 213 L HA -0.214 4.126 4.340 -0.001 0.000 0.409 213 L C 0.468 177.365 176.870 0.044 0.000 1.100 213 L CA 0.283 55.046 54.840 -0.128 0.000 1.029 213 L CB -1.293 40.637 42.059 -0.215 0.000 2.137 213 L HN 0.241 nan 8.230 nan 0.000 0.713 214 R N 0.753 121.275 120.500 0.038 0.000 2.500 214 R HA 0.633 4.972 4.340 -0.001 0.000 0.275 214 R C 0.202 176.462 176.300 -0.067 0.000 1.051 214 R CA -0.740 55.403 56.100 0.071 0.000 1.088 214 R CB 1.209 31.542 30.300 0.056 0.000 1.063 214 R HN 0.142 nan 8.270 nan 0.000 0.511 225 I N -0.813 119.772 120.570 0.024 0.000 2.957 225 I HA 0.551 4.721 4.170 -0.001 0.000 0.310 225 I C -0.105 176.059 176.117 0.080 0.000 1.063 225 I CA -0.419 60.908 61.300 0.045 0.000 1.033 225 I CB 1.807 39.826 38.000 0.032 0.000 1.230 225 I HN 0.237 nan 8.210 nan 0.000 0.447 226 D N 2.665 123.129 120.400 0.106 0.000 2.431 226 D HA 0.365 5.005 4.640 -0.001 0.000 0.227 226 D C 0.379 176.735 176.300 0.095 0.000 1.030 226 D CA 0.885 54.975 54.000 0.150 0.000 0.897 226 D CB 2.163 43.126 40.800 0.272 0.000 1.058 226 D HN 0.489 nan 8.370 nan 0.000 0.500 227 I N 0.970 121.586 120.570 0.077 0.000 2.828 227 I HA 0.125 4.295 4.170 -0.001 0.000 0.295 227 I C -1.870 174.278 176.117 0.051 0.000 1.459 227 I CA -0.880 60.450 61.300 0.049 0.000 1.015 227 I CB 2.442 40.454 38.000 0.021 0.000 1.345 227 I HN -0.260 nan 8.210 nan 0.000 0.449 228 V N 3.296 123.247 119.914 0.062 0.000 2.769 228 V HA 1.063 5.183 4.120 -0.001 0.000 0.312 228 V C -0.437 175.701 176.094 0.074 0.000 1.061 228 V CA -0.073 62.281 62.300 0.090 0.000 0.931 228 V CB 1.205 33.112 31.823 0.139 0.000 1.010 228 V HN 0.961 nan 8.190 nan 0.000 0.433 229 A N 3.867 126.731 122.820 0.073 0.000 2.524 229 A HA 1.055 5.375 4.320 -0.001 0.000 0.289 229 A C -3.189 174.435 177.584 0.067 0.000 1.248 229 A CA -1.948 50.093 52.037 0.005 0.000 0.712 229 A CB 1.602 20.559 19.000 -0.071 0.000 1.312 229 A HN 0.709 nan 8.150 nan 0.000 0.441 230 P HA 0.387 nan 4.420 nan 0.000 0.276 230 P C 0.380 177.630 177.300 -0.084 0.000 1.230 230 P CA 0.480 63.498 63.100 -0.137 0.000 0.776 230 P CB 1.119 32.720 31.700 -0.166 0.000 0.888 231 G N 1.254 109.977 108.800 -0.129 0.000 3.581 231 G HA2 0.198 4.158 3.960 -0.001 0.000 0.248 231 G HA3 0.198 4.158 3.960 -0.001 0.000 0.248 231 G C -0.616 174.226 174.900 -0.097 0.000 1.037 231 G CA 0.099 45.175 45.100 -0.041 0.000 0.902 231 G HN 0.394 nan 8.290 nan 0.000 0.512 232 V N 1.321 121.085 119.914 -0.249 0.000 2.313 232 V HA 0.655 4.775 4.120 -0.001 0.000 0.278 232 V C 0.946 176.930 176.094 -0.182 0.000 1.017 232 V CA 0.157 62.331 62.300 -0.209 0.000 0.823 232 V CB 0.653 32.336 31.823 -0.234 0.000 1.010 232 V HN 0.789 nan 8.190 nan 0.000 0.443 233 G N 5.631 114.422 108.800 -0.015 0.000 2.326 233 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.286 233 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.286 233 G C -0.298 174.728 174.900 0.210 0.000 1.096 233 G CA -0.492 44.668 45.100 0.101 0.000 1.003 233 G HN 0.475 nan 8.290 nan 0.000 0.503 234 I N 0.788 121.472 120.570 0.191 0.000 2.297 234 I HA 0.262 4.432 4.170 -0.001 0.000 0.291 234 I C 0.847 177.149 176.117 0.309 0.000 1.033 234 I CA -0.693 60.785 61.300 0.296 0.000 1.253 234 I CB 0.867 39.059 38.000 0.321 0.000 1.396 234 I HN 0.180 nan 8.210 nan 0.000 0.476 235 K N 4.257 124.802 120.400 0.242 0.000 2.234 235 K HA 0.531 4.851 4.320 -0.001 0.000 0.282 235 K C 0.190 176.826 176.600 0.060 0.000 1.039 235 K CA -0.148 56.249 56.287 0.184 0.000 0.928 235 K CB 1.569 34.136 32.500 0.113 0.000 1.039 235 K HN 0.611 nan 8.250 nan 0.000 0.470 236 S N 0.732 116.403 115.700 -0.049 0.000 2.873 236 S HA 0.356 4.825 4.470 -0.001 0.000 0.303 236 S C -1.016 173.576 174.600 -0.012 0.000 1.222 236 S CA -0.753 57.295 58.200 -0.254 0.000 0.923 236 S CB 0.679 63.358 63.200 -0.868 0.000 1.286 236 S HN 0.668 nan 8.310 nan 0.000 0.571 237 T N -0.067 114.399 114.554 -0.145 0.000 2.828 237 T HA 0.659 5.009 4.350 -0.001 0.000 0.290 237 T C -0.950 173.729 174.700 -0.035 0.000 1.019 237 T CA -0.034 61.918 62.100 -0.246 0.000 1.031 237 T CB 0.833 69.315 68.868 -0.645 0.000 1.001 237 T HN 0.593 nan 8.240 nan 0.000 0.531 238 Y N -0.649 119.504 120.300 -0.243 0.000 2.689 238 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 238 Y C -0.527 175.371 175.900 -0.004 0.000 1.208 238 Y CA -1.746 56.326 58.100 -0.046 0.000 1.055 238 Y CB 1.100 39.590 38.460 0.050 0.000 1.304 238 Y HN 0.835 nan 8.280 nan 0.000 0.455 239 L N 2.939 123.938 121.223 -0.373 0.000 2.535 239 L HA -0.095 4.245 4.340 -0.001 0.000 0.301 239 L C 0.192 177.040 176.870 -0.037 0.000 1.275 239 L CA 1.276 55.983 54.840 -0.222 0.000 0.843 239 L CB 0.003 41.858 42.059 -0.339 0.000 1.094 239 L HN 0.775 nan 8.230 nan 0.000 0.532 240 D N 0.868 121.239 120.400 -0.048 0.000 2.800 240 D HA -0.176 4.463 4.640 -0.001 0.000 0.232 240 D C 0.623 176.860 176.300 -0.105 0.000 1.137 240 D CA 1.137 55.106 54.000 -0.053 0.000 0.718 240 D CB -0.903 39.888 40.800 -0.014 0.000 1.084 240 D HN 0.758 nan 8.370 nan 0.000 0.432 241 S N -2.801 112.780 115.700 -0.199 0.000 3.476 241 S HA -0.188 4.282 4.470 -0.001 0.000 0.309 241 S C 0.910 175.277 174.600 -0.387 0.000 1.222 241 S CA 1.089 58.935 58.200 -0.591 0.000 0.922 241 S CB -1.190 61.768 63.200 -0.403 0.000 1.023 241 S HN 0.819 nan 8.310 nan 0.000 0.591 242 G N -1.090 107.646 108.800 -0.107 0.000 2.753 242 G HA2 0.730 4.689 3.960 -0.001 0.000 0.285 242 G HA3 0.730 4.689 3.960 -0.001 0.000 0.285 242 G C -0.824 173.893 174.900 -0.304 0.000 1.344 242 G CA -0.710 44.341 45.100 -0.081 0.000 1.050 242 G HN 0.259 nan 8.290 nan 0.000 0.532 243 Y N -1.726 118.722 120.300 0.246 0.000 2.638 243 Y HA 0.722 5.271 4.550 -0.000 0.000 0.339 243 Y C 0.314 176.274 175.900 0.100 0.000 1.084 243 Y CA -0.493 57.715 58.100 0.180 0.000 1.068 243 Y CB 2.513 41.041 38.460 0.113 0.000 1.294 243 Y HN 0.844 nan 8.280 nan 0.000 0.480 244 A N 0.775 123.725 122.820 0.217 0.000 2.594 244 A HA 0.574 4.893 4.320 -0.001 0.000 0.296 244 A C -1.810 175.844 177.584 0.116 0.000 1.061 244 A CA -0.753 51.270 52.037 -0.024 0.000 0.689 244 A CB 1.753 20.425 19.000 -0.548 0.000 1.280 244 A HN 0.709 nan 8.150 nan 0.000 0.406 245 E N 1.835 122.059 120.200 0.040 0.000 2.129 245 E HA 0.663 5.013 4.350 -0.001 0.000 0.268 245 E C -1.526 175.079 176.600 0.008 0.000 0.900 245 E CA -0.401 56.054 56.400 0.092 0.000 0.755 245 E CB 0.836 30.583 29.700 0.079 0.000 1.117 245 E HN 0.597 nan 8.360 nan 0.000 0.410 246 L N 2.700 123.909 121.223 -0.023 0.000 2.381 246 L HA 0.535 4.875 4.340 -0.001 0.000 0.268 246 L C -0.570 176.283 176.870 -0.028 0.000 0.997 246 L CA -0.992 53.783 54.840 -0.110 0.000 0.818 246 L CB 2.270 44.059 42.059 -0.450 0.000 1.310 246 L HN 0.443 nan 8.230 nan 0.000 0.416 247 S N 0.832 116.545 115.700 0.021 0.000 2.473 247 S HA 0.937 5.407 4.470 -0.001 0.000 0.307 247 S C -0.043 174.585 174.600 0.046 0.000 1.094 247 S CA -0.626 57.584 58.200 0.017 0.000 1.070 247 S CB 2.027 65.231 63.200 0.007 0.000 1.019 247 S HN 0.979 nan 8.310 nan 0.000 0.480 248 G N 0.943 109.754 108.800 0.018 0.000 2.347 248 G HA2 0.277 4.237 3.960 -0.001 0.000 0.303 248 G HA3 0.277 4.237 3.960 -0.001 0.000 0.303 248 G C 0.254 175.155 174.900 0.001 0.000 1.481 248 G CA -0.459 44.654 45.100 0.021 0.000 0.914 248 G HN 0.406 nan 8.290 nan 0.000 0.638 249 T N 1.104 115.644 114.554 -0.024 0.000 2.653 249 T HA -0.162 4.187 4.350 -0.001 0.000 0.268 249 T C 2.854 177.560 174.700 0.010 0.000 1.035 249 T CA 3.206 65.291 62.100 -0.024 0.000 1.154 249 T CB -0.512 68.320 68.868 -0.060 0.000 0.862 249 T HN 1.407 nan 8.240 nan 0.000 0.441 250 A N 1.221 124.049 122.820 0.014 0.000 1.948 250 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 250 A C 2.167 179.804 177.584 0.088 0.000 1.177 250 A CA 1.878 53.948 52.037 0.055 0.000 0.636 250 A CB -0.713 18.321 19.000 0.057 0.000 0.815 250 A HN 0.359 nan 8.150 nan 0.000 0.449 251 M N -0.362 119.278 119.600 0.068 0.000 2.358 251 M HA -0.039 4.441 4.480 -0.001 0.000 0.264 251 M C 2.227 178.639 176.300 0.186 0.000 1.064 251 M CA 1.145 56.503 55.300 0.098 0.000 1.093 251 M CB -0.911 31.738 32.600 0.083 0.000 1.401 251 M HN 0.471 nan 8.290 nan 0.000 0.440 252 A N -0.517 122.407 122.820 0.172 0.000 1.874 252 A HA 0.137 4.457 4.320 -0.001 0.000 0.214 252 A C 2.409 180.129 177.584 0.228 0.000 1.189 252 A CA 1.579 53.763 52.037 0.244 0.000 0.615 252 A CB -1.191 17.877 19.000 0.114 0.000 0.830 252 A HN 0.427 nan 8.150 nan 0.000 0.443 253 A N 0.595 123.495 122.820 0.133 0.000 1.915 253 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 253 A C 0.258 177.898 177.584 0.093 0.000 1.198 253 A CA 2.267 54.368 52.037 0.107 0.000 0.647 253 A CB -1.963 17.092 19.000 0.092 0.000 0.825 253 A HN 0.438 nan 8.150 nan 0.000 0.456 254 P HA -0.192 nan 4.420 nan 0.000 0.216 254 P C 0.795 178.077 177.300 -0.029 0.000 1.154 254 P CA 1.820 64.902 63.100 -0.029 0.000 0.865 254 P CB -0.299 31.328 31.700 -0.123 0.000 0.789 255 H N -1.781 117.313 119.070 0.041 0.000 2.422 255 H HA -0.084 4.471 4.556 -0.001 0.000 0.298 255 H C 1.678 177.020 175.328 0.023 0.000 1.098 255 H CA 1.046 57.116 56.048 0.037 0.000 1.315 255 H CB -0.593 29.189 29.762 0.032 0.000 1.382 255 H HN -0.019 nan 8.280 nan 0.000 0.523 256 V N 0.015 120.015 119.914 0.143 0.000 2.725 256 V HA -0.058 4.062 4.120 -0.001 0.000 0.247 256 V C 2.443 178.582 176.094 0.075 0.000 1.058 256 V CA 1.014 63.364 62.300 0.084 0.000 1.080 256 V CB -0.494 31.372 31.823 0.072 0.000 0.713 256 V HN 0.541 nan 8.190 nan 0.000 0.465 257 A N 1.012 123.875 122.820 0.071 0.000 1.883 257 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 257 A C 2.381 180.000 177.584 0.059 0.000 1.186 257 A CA 2.223 54.296 52.037 0.060 0.000 0.624 257 A CB -1.194 17.833 19.000 0.046 0.000 0.822 257 A HN 0.511 nan 8.150 nan 0.000 0.444 258 G N -0.957 107.879 108.800 0.061 0.000 2.403 258 G HA2 0.102 4.062 3.960 -0.001 0.000 0.216 258 G HA3 0.102 4.062 3.960 -0.001 0.000 0.216 258 G C 1.749 176.704 174.900 0.090 0.000 1.154 258 G CA 1.290 46.434 45.100 0.073 0.000 0.784 258 G HN 0.814 nan 8.290 nan 0.000 0.538 259 A N 0.978 123.851 122.820 0.088 0.000 1.903 259 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 259 A C 2.421 180.044 177.584 0.064 0.000 1.191 259 A CA 1.626 53.706 52.037 0.072 0.000 0.638 259 A CB -0.553 18.471 19.000 0.040 0.000 0.823 259 A HN 0.367 nan 8.150 nan 0.000 0.451 260 L N -0.952 120.308 121.223 0.060 0.000 2.083 260 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 260 L C 3.084 179.990 176.870 0.060 0.000 1.083 260 L CA 1.011 55.886 54.840 0.058 0.000 0.752 260 L CB -0.575 41.521 42.059 0.062 0.000 0.899 260 L HN 0.455 nan 8.230 nan 0.000 0.433 261 A N 0.458 123.316 122.820 0.064 0.000 1.858 261 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 261 A C 2.247 179.873 177.584 0.069 0.000 1.190 261 A CA 1.574 53.648 52.037 0.061 0.000 0.617 261 A CB -0.785 18.249 19.000 0.057 0.000 0.827 261 A HN 0.353 nan 8.150 nan 0.000 0.443 262 L N -0.178 121.097 121.223 0.088 0.000 1.989 262 L HA -0.230 4.110 4.340 -0.001 0.000 0.211 262 L C 2.543 179.463 176.870 0.082 0.000 1.071 262 L CA 1.263 56.165 54.840 0.103 0.000 0.749 262 L CB -0.843 41.302 42.059 0.142 0.000 0.890 262 L HN 0.346 nan 8.230 nan 0.000 0.431 263 I N 0.201 120.812 120.570 0.069 0.000 2.163 263 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 263 I C 2.623 178.777 176.117 0.061 0.000 1.085 263 I CA 1.906 63.241 61.300 0.058 0.000 1.347 263 I CB -0.685 37.341 38.000 0.043 0.000 1.044 263 I HN 0.268 nan 8.210 nan 0.000 0.408 264 I N 0.931 121.535 120.570 0.056 0.000 2.163 264 I HA -0.333 3.837 4.170 -0.001 0.000 0.243 264 I C 2.308 178.461 176.117 0.060 0.000 1.085 264 I CA 1.521 62.852 61.300 0.052 0.000 1.347 264 I CB -0.529 37.498 38.000 0.044 0.000 1.044 264 I HN 0.280 nan 8.210 nan 0.000 0.408 265 N N 0.963 119.700 118.700 0.061 0.000 2.043 265 N HA -0.184 4.556 4.740 -0.001 0.000 0.193 265 N C 1.765 177.318 175.510 0.071 0.000 1.037 265 N CA 1.644 54.730 53.050 0.061 0.000 0.851 265 N CB -0.587 37.935 38.487 0.058 0.000 1.027 265 N HN 0.356 nan 8.380 nan 0.000 0.422 266 L N -1.138 120.131 121.223 0.076 0.000 2.109 266 L HA 0.273 4.613 4.340 -0.001 0.000 0.207 266 L C 2.026 178.955 176.870 0.098 0.000 1.086 266 L CA 1.689 56.574 54.840 0.076 0.000 0.760 266 L CB -1.097 41.005 42.059 0.070 0.000 0.910 266 L HN 0.016 nan 8.230 nan 0.000 0.437 267 A N 0.042 122.936 122.820 0.122 0.000 1.873 267 A HA -0.146 4.174 4.320 -0.001 0.000 0.215 267 A C 2.231 179.966 177.584 0.251 0.000 1.186 267 A CA 1.669 53.830 52.037 0.206 0.000 0.616 267 A CB -0.675 18.425 19.000 0.166 0.000 0.823 267 A HN 0.615 nan 8.150 nan 0.000 0.442 268 E N -0.234 120.056 120.200 0.150 0.000 2.150 268 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 268 E C 1.322 178.000 176.600 0.130 0.000 0.985 268 E CA 1.017 57.497 56.400 0.134 0.000 0.814 268 E CB -0.178 29.568 29.700 0.076 0.000 0.752 268 E HN 0.513 nan 8.360 nan 0.000 0.466 269 D N 0.574 121.034 120.400 0.100 0.000 2.117 269 D HA -0.121 4.519 4.640 -0.001 0.000 0.197 269 D C 1.875 178.210 176.300 0.058 0.000 0.987 269 D CA 1.308 55.349 54.000 0.069 0.000 0.829 269 D CB -0.165 40.666 40.800 0.052 0.000 0.961 269 D HN 0.147 nan 8.370 nan 0.000 0.460 270 A N -0.319 122.538 122.820 0.061 0.000 1.929 270 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 270 A C 1.959 179.478 177.584 -0.109 0.000 1.176 270 A CA 0.807 52.819 52.037 -0.043 0.000 0.628 270 A CB -0.736 18.211 19.000 -0.089 0.000 0.816 270 A HN 0.156 nan 8.150 nan 0.000 0.444 271 F N -1.203 118.756 119.950 0.014 0.000 2.416 271 F HA 0.167 4.694 4.527 -0.000 0.000 0.296 271 F C 0.679 176.486 175.800 0.012 0.000 1.099 271 F CA 1.050 59.058 58.000 0.013 0.000 1.427 271 F CB 0.031 39.040 39.000 0.014 0.000 1.079 271 F HN 0.065 nan 8.300 nan 0.000 0.536 272 K N 0.995 121.496 120.400 0.167 0.000 3.353 272 K HA -0.207 4.113 4.320 -0.001 0.000 0.272 272 K C -0.316 176.342 176.600 0.096 0.000 1.071 272 K CA 0.318 56.663 56.287 0.097 0.000 0.789 272 K CB -0.896 31.640 32.500 0.060 0.000 1.325 272 K HN 0.335 nan 8.250 nan 0.000 0.464 273 R N -0.163 120.395 120.500 0.096 0.000 4.106 273 R HA 0.059 4.399 4.340 -0.001 0.000 0.252 273 R C -1.499 174.829 176.300 0.048 0.000 0.977 273 R CA -0.436 55.707 56.100 0.071 0.000 1.118 273 R CB 0.927 31.283 30.300 0.093 0.000 1.237 273 R HN 0.080 nan 8.270 nan 0.000 0.587 274 S N 3.532 119.243 115.700 0.019 0.000 2.549 274 S HA 0.361 4.831 4.470 -0.001 0.000 0.283 274 S C 0.148 174.731 174.600 -0.029 0.000 1.320 274 S CA -0.164 58.036 58.200 -0.000 0.000 1.058 274 S CB 0.254 63.450 63.200 -0.006 0.000 0.882 274 S HN 0.290 nan 8.310 nan 0.000 0.498 275 L N 3.026 124.222 121.223 -0.045 0.000 2.331 275 L HA 0.473 4.813 4.340 -0.001 0.000 0.275 275 L C 0.822 177.659 176.870 -0.055 0.000 1.022 275 L CA -0.749 54.039 54.840 -0.086 0.000 0.812 275 L CB 1.678 43.656 42.059 -0.134 0.000 1.257 275 L HN 0.686 nan 8.230 nan 0.000 0.435 276 S N 0.130 115.794 115.700 -0.059 0.000 2.626 276 S HA 0.074 4.543 4.470 -0.001 0.000 0.257 276 S C 0.876 175.464 174.600 -0.019 0.000 1.288 276 S CA -0.336 57.841 58.200 -0.038 0.000 0.980 276 S CB 1.130 64.307 63.200 -0.037 0.000 0.975 276 S HN 0.754 nan 8.310 nan 0.000 0.577 277 E N 0.628 120.822 120.200 -0.011 0.000 2.047 277 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 277 E C 1.928 178.554 176.600 0.043 0.000 0.987 277 E CA 1.808 58.215 56.400 0.012 0.000 0.799 277 E CB -1.055 28.643 29.700 -0.002 0.000 0.752 277 E HN 0.802 nan 8.360 nan 0.000 0.449 278 T N 1.647 116.217 114.554 0.027 0.000 2.592 278 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 278 T C 1.713 176.464 174.700 0.084 0.000 1.060 278 T CA 2.147 64.282 62.100 0.059 0.000 1.167 278 T CB -0.338 68.544 68.868 0.024 0.000 0.863 278 T HN 0.351 nan 8.240 nan 0.000 0.431 279 E N 0.125 120.330 120.200 0.008 0.000 2.077 279 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 279 E C 2.236 178.817 176.600 -0.031 0.000 0.989 279 E CA 0.825 57.196 56.400 -0.049 0.000 0.800 279 E CB -0.159 29.456 29.700 -0.143 0.000 0.746 279 E HN 0.333 nan 8.360 nan 0.000 0.452 280 I N 0.558 121.130 120.570 0.003 0.000 2.361 280 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 280 I C 2.257 178.411 176.117 0.063 0.000 1.133 280 I CA 1.279 62.594 61.300 0.025 0.000 1.413 280 I CB -1.075 36.949 38.000 0.040 0.000 1.073 280 I HN 0.187 nan 8.210 nan 0.000 0.424 281 Y N 2.148 122.444 120.300 -0.008 0.000 2.181 281 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 281 Y C 2.527 178.431 175.900 0.007 0.000 1.146 281 Y CA 1.779 59.882 58.100 0.006 0.000 1.164 281 Y CB -0.357 38.110 38.460 0.011 0.000 0.982 281 Y HN 0.100 nan 8.280 nan 0.000 0.515 282 A N -0.075 122.705 122.820 -0.067 0.000 2.019 282 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 282 A C 2.026 179.531 177.584 -0.132 0.000 1.164 282 A CA 1.569 53.518 52.037 -0.148 0.000 0.644 282 A CB -0.446 18.538 19.000 -0.027 0.000 0.805 282 A HN 0.535 nan 8.150 nan 0.000 0.449 283 Q N -1.089 118.664 119.800 -0.078 0.000 2.212 283 Q HA -0.019 4.320 4.340 -0.001 0.000 0.199 283 Q C 2.056 178.021 176.000 -0.057 0.000 0.950 283 Q CA 0.990 56.773 55.803 -0.033 0.000 0.863 283 Q CB -0.505 28.236 28.738 0.005 0.000 0.944 283 Q HN 0.610 nan 8.270 nan 0.000 0.465 284 L N 0.742 121.908 121.223 -0.094 0.000 1.994 284 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 284 L C 2.244 179.018 176.870 -0.160 0.000 1.071 284 L CA 1.793 56.569 54.840 -0.106 0.000 0.745 284 L CB -0.873 41.131 42.059 -0.092 0.000 0.892 284 L HN 0.135 nan 8.230 nan 0.000 0.431 285 V N -0.341 119.402 119.914 -0.286 0.000 2.759 285 V HA -0.161 3.959 4.120 -0.001 0.000 0.256 285 V C 2.412 178.424 176.094 -0.137 0.000 1.080 285 V CA 1.506 63.654 62.300 -0.253 0.000 1.101 285 V CB -1.212 30.376 31.823 -0.392 0.000 0.698 285 V HN 0.727 nan 8.190 nan 0.000 0.477 286 R N 0.514 120.951 120.500 -0.106 0.000 2.328 286 R HA 0.132 4.471 4.340 -0.001 0.000 0.200 286 R C 1.267 177.541 176.300 -0.044 0.000 0.983 286 R CA 0.420 56.487 56.100 -0.054 0.000 1.062 286 R CB -0.402 29.884 30.300 -0.024 0.000 0.956 286 R HN 0.460 nan 8.270 nan 0.000 0.479 287 R N 0.923 121.387 120.500 -0.060 0.000 2.767 287 R HA 0.339 4.679 4.340 -0.001 0.000 0.377 287 R C -0.880 175.375 176.300 -0.073 0.000 1.151 287 R CA -0.020 56.047 56.100 -0.056 0.000 1.046 287 R CB 1.728 31.997 30.300 -0.050 0.000 1.404 287 R HN 0.199 nan 8.270 nan 0.000 0.580 288 A N 0.287 123.073 122.820 -0.057 0.000 2.335 288 A HA 0.478 4.798 4.320 -0.001 0.000 0.304 288 A C -0.478 177.113 177.584 0.012 0.000 1.118 288 A CA -0.564 51.449 52.037 -0.039 0.000 0.757 288 A CB 1.243 20.219 19.000 -0.040 0.000 1.188 288 A HN 0.094 nan 8.150 nan 0.000 0.460 289 T N 5.377 119.968 114.554 0.061 0.000 2.753 289 T HA 0.493 4.843 4.350 -0.001 0.000 0.297 289 T C -2.680 172.088 174.700 0.113 0.000 0.981 289 T CA -1.006 61.143 62.100 0.081 0.000 0.956 289 T CB 0.798 69.729 68.868 0.106 0.000 0.936 289 T HN 0.439 nan 8.240 nan 0.000 0.463 290 P HA 0.176 nan 4.420 nan 0.000 0.265 290 P C 0.460 177.791 177.300 0.051 0.000 1.193 290 P CA -0.136 63.012 63.100 0.081 0.000 0.765 290 P CB 0.479 32.208 31.700 0.048 0.000 0.823 291 I N 1.352 121.960 120.570 0.064 0.000 2.500 291 I HA 0.056 4.225 4.170 -0.001 0.000 0.252 291 I C 1.703 177.687 176.117 -0.223 0.000 1.142 291 I CA 1.473 62.740 61.300 -0.055 0.000 1.451 291 I CB -0.516 37.494 38.000 0.017 0.000 1.093 291 I HN 0.650 nan 8.210 nan 0.000 0.430 292 G N -0.350 108.324 108.800 -0.210 0.000 2.173 292 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.142 292 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.142 292 G C 0.150 174.860 174.900 -0.317 0.000 1.019 292 G CA -0.730 44.217 45.100 -0.255 0.000 0.699 292 G HN 0.106 nan 8.290 nan 0.000 0.495 293 F N 1.883 121.836 119.950 0.004 0.000 2.239 293 F HA 0.609 5.136 4.527 -0.001 0.000 0.288 293 F C 1.722 177.528 175.800 0.010 0.000 1.225 293 F CA 0.294 58.297 58.000 0.004 0.000 1.162 293 F CB -0.194 38.808 39.000 0.004 0.000 1.484 293 F HN 0.122 nan 8.300 nan 0.000 0.512 294 T N -1.568 113.119 114.554 0.222 0.000 2.788 294 T HA 0.441 4.790 4.350 -0.001 0.000 0.287 294 T C 0.958 175.731 174.700 0.121 0.000 1.007 294 T CA -0.330 61.845 62.100 0.125 0.000 1.005 294 T CB 1.094 70.015 68.868 0.088 0.000 1.012 294 T HN 0.668 nan 8.240 nan 0.000 0.530 295 A N -0.016 122.855 122.820 0.086 0.000 1.969 295 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 295 A C 2.407 180.031 177.584 0.065 0.000 1.169 295 A CA 1.670 53.754 52.037 0.078 0.000 0.635 295 A CB -1.083 17.955 19.000 0.065 0.000 0.810 295 A HN 0.987 nan 8.150 nan 0.000 0.445 296 Q N -0.454 119.379 119.800 0.055 0.000 2.124 296 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 296 Q C 2.138 178.152 176.000 0.024 0.000 0.977 296 Q CA 1.646 57.471 55.803 0.037 0.000 0.850 296 Q CB -0.284 28.472 28.738 0.030 0.000 0.901 296 Q HN 0.624 nan 8.270 nan 0.000 0.429 297 A N 1.272 124.111 122.820 0.032 0.000 1.855 297 A HA -0.170 4.150 4.320 -0.001 0.000 0.213 297 A C 1.686 179.257 177.584 -0.021 0.000 1.195 297 A CA 1.464 53.490 52.037 -0.018 0.000 0.610 297 A CB -0.361 18.620 19.000 -0.031 0.000 0.837 297 A HN 0.659 nan 8.150 nan 0.000 0.444 298 E N -1.515 118.720 120.200 0.059 0.000 2.498 298 E HA 0.413 4.762 4.350 -0.001 0.000 0.203 298 E C 1.029 177.684 176.600 0.091 0.000 1.013 298 E CA 0.403 56.858 56.400 0.091 0.000 0.927 298 E CB -0.161 29.682 29.700 0.237 0.000 1.012 298 E HN 0.748 nan 8.360 nan 0.000 0.482 299 G N 2.420 111.266 108.800 0.077 0.000 2.547 299 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.271 299 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.271 299 G C 0.361 175.308 174.900 0.079 0.000 1.209 299 G CA 0.144 45.290 45.100 0.077 0.000 0.959 299 G HN 0.288 nan 8.290 nan 0.000 0.563 300 N N 3.013 121.752 118.700 0.064 0.000 2.521 300 N HA 0.298 5.038 4.740 -0.001 0.000 0.188 300 N C 1.266 176.808 175.510 0.054 0.000 1.146 300 N CA 2.024 55.100 53.050 0.043 0.000 0.893 300 N CB 0.310 38.796 38.487 -0.001 0.000 0.975 300 N HN 1.807 nan 8.380 nan 0.000 0.451 301 G N 0.777 109.629 108.800 0.087 0.000 2.384 301 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.204 301 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.204 301 G C -1.326 173.672 174.900 0.162 0.000 1.237 301 G CA -0.839 44.342 45.100 0.135 0.000 1.060 301 G HN 0.111 nan 8.290 nan 0.000 0.514 302 F N 0.865 120.836 119.950 0.035 0.000 2.404 302 F HA 0.695 5.222 4.527 -0.001 0.000 0.345 302 F C 0.619 176.424 175.800 0.008 0.000 1.110 302 F CA -1.210 56.804 58.000 0.024 0.000 1.130 302 F CB 1.268 40.286 39.000 0.031 0.000 1.129 302 F HN 0.563 nan 8.300 nan 0.000 0.500 303 L N 6.276 127.008 121.223 -0.817 0.000 2.615 303 L HA 0.175 4.515 4.340 -0.001 0.000 0.271 303 L C 0.039 176.566 176.870 -0.571 0.000 1.183 303 L CA 0.669 55.160 54.840 -0.582 0.000 0.933 303 L CB -0.293 41.452 42.059 -0.522 0.000 1.199 303 L HN 0.756 nan 8.230 nan 0.000 0.487 304 T N 2.447 116.860 114.554 -0.234 0.000 3.077 304 T HA 0.314 4.664 4.350 -0.001 0.000 0.359 304 T C 1.148 175.799 174.700 -0.081 0.000 1.108 304 T CA -0.641 61.392 62.100 -0.112 0.000 1.170 304 T CB 0.078 68.949 68.868 0.006 0.000 1.045 304 T HN 0.504 nan 8.240 nan 0.000 0.505 305 L N 1.349 122.520 121.223 -0.086 0.000 2.189 305 L HA -0.040 4.299 4.340 -0.001 0.000 0.214 305 L C 2.091 178.938 176.870 -0.038 0.000 1.097 305 L CA 1.432 56.239 54.840 -0.055 0.000 0.764 305 L CB -0.146 41.882 42.059 -0.051 0.000 0.900 305 L HN 0.623 nan 8.230 nan 0.000 0.436 306 D N -1.047 119.328 120.400 -0.042 0.000 2.328 306 D HA -0.045 4.594 4.640 -0.001 0.000 0.221 306 D C 1.966 178.250 176.300 -0.026 0.000 1.072 306 D CA 0.094 54.074 54.000 -0.033 0.000 0.850 306 D CB 0.235 41.011 40.800 -0.040 0.000 0.922 306 D HN 0.178 nan 8.370 nan 0.000 0.516 307 L N -0.279 120.930 121.223 -0.025 0.000 2.056 307 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 307 L C 1.823 178.677 176.870 -0.027 0.000 1.078 307 L CA 0.927 55.754 54.840 -0.023 0.000 0.749 307 L CB -0.130 41.916 42.059 -0.021 0.000 0.901 307 L HN 0.024 nan 8.230 nan 0.000 0.433 308 V N 0.015 119.915 119.914 -0.022 0.000 2.332 308 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 308 V C 2.454 178.530 176.094 -0.030 0.000 1.055 308 V CA 1.761 64.047 62.300 -0.023 0.000 1.038 308 V CB -0.573 31.246 31.823 -0.006 0.000 0.651 308 V HN 0.468 nan 8.190 nan 0.000 0.450 309 E N -0.083 120.102 120.200 -0.025 0.000 2.204 309 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 309 E C 2.438 179.017 176.600 -0.034 0.000 0.990 309 E CA 0.905 57.289 56.400 -0.026 0.000 0.821 309 E CB -0.143 29.545 29.700 -0.020 0.000 0.750 309 E HN 0.571 nan 8.360 nan 0.000 0.477 310 R N 0.469 120.947 120.500 -0.036 0.000 2.119 310 R HA -0.015 4.324 4.340 -0.001 0.000 0.222 310 R C 2.531 178.794 176.300 -0.061 0.000 1.088 310 R CA 0.934 57.008 56.100 -0.042 0.000 0.984 310 R CB -0.201 30.079 30.300 -0.034 0.000 0.884 310 R HN 0.278 nan 8.270 nan 0.000 0.447 311 I N -1.677 118.850 120.570 -0.072 0.000 3.419 311 I HA 0.107 4.276 4.170 -0.001 0.000 0.286 311 I C 0.090 176.112 176.117 -0.158 0.000 1.268 311 I CA 0.068 61.299 61.300 -0.115 0.000 1.414 311 I CB -0.118 37.815 38.000 -0.112 0.000 1.074 311 I HN -0.265 nan 8.210 nan 0.000 0.457 312 T N 3.109 117.599 114.554 -0.106 0.000 2.822 312 T HA 0.274 4.623 4.350 -0.001 0.000 0.288 312 T C 1.257 175.891 174.700 -0.110 0.000 0.991 312 T CA 1.147 63.190 62.100 -0.094 0.000 1.176 312 T CB 0.502 69.343 68.868 -0.044 0.000 0.951 312 T HN 0.784 nan 8.240 nan 0.000 0.526 313 G N 3.157 111.874 108.800 -0.140 0.000 2.176 313 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.253 313 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.253 313 G C 0.138 174.918 174.900 -0.200 0.000 0.979 313 G CA -0.477 44.595 45.100 -0.046 0.000 0.641 313 G HN 0.647 nan 8.290 nan 0.000 0.530 314 Q N 0.344 119.866 119.800 -0.465 0.000 2.490 314 Q HA 0.606 4.945 4.340 -0.001 0.000 0.226 314 Q C -0.468 175.188 176.000 -0.575 0.000 1.132 314 Q CA 0.200 55.778 55.803 -0.374 0.000 0.928 314 Q CB 0.010 28.602 28.738 -0.242 0.000 1.299 314 Q HN 0.413 nan 8.270 nan 0.000 0.528 315 F N -0.612 119.337 119.950 -0.001 0.000 2.575 315 F HA 0.373 4.900 4.527 -0.001 0.000 0.330 315 F C 1.286 177.086 175.800 -0.000 0.000 1.056 315 F CA -0.833 57.167 58.000 -0.000 0.000 0.964 315 F CB 0.967 39.967 39.000 -0.000 0.000 1.258 315 F HN 0.068 nan 8.300 nan 0.000 0.484 316 T N 0.000 114.677 114.554 0.206 0.000 3.816 316 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 316 T CA 0.000 62.165 62.100 0.109 0.000 1.349 316 T CB 0.000 68.919 68.868 0.085 0.000 0.612 316 T HN 0.000 nan 8.240 nan 0.000 0.658