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 2c82_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 11 G C 0.000 174.857 174.900 -0.072 0.000 0.946 11 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 12 R N 0.144 120.606 120.500 -0.064 0.000 2.442 12 R HA 0.450 4.805 4.340 0.025 0.000 0.291 12 R C -0.533 175.759 176.300 -0.013 0.000 1.069 12 R CA -0.135 55.923 56.100 -0.071 0.000 1.022 12 R CB 0.015 30.290 30.300 -0.043 0.000 0.976 12 R HN 0.354 nan 8.270 nan 0.000 0.443 13 L N 5.303 126.540 121.223 0.022 0.000 2.309 13 L HA 0.456 4.811 4.340 0.025 0.000 0.282 13 L C 0.257 177.214 176.870 0.144 0.000 1.036 13 L CA -0.785 54.122 54.840 0.111 0.000 0.806 13 L CB 1.695 43.880 42.059 0.211 0.000 1.220 13 L HN 0.569 nan 8.230 nan 0.000 0.429 14 R N 2.336 122.895 120.500 0.098 0.000 2.234 14 R HA 0.459 4.814 4.340 0.025 0.000 0.324 14 R C -1.038 175.307 176.300 0.076 0.000 1.054 14 R CA -0.436 55.711 56.100 0.080 0.000 0.912 14 R CB 1.230 31.560 30.300 0.051 0.000 1.030 14 R HN 0.299 nan 8.270 nan 0.000 0.455 15 V N 4.360 124.314 119.914 0.067 0.000 2.409 15 V HA 0.240 4.375 4.120 0.025 0.000 0.291 15 V C -0.035 176.063 176.094 0.007 0.000 1.020 15 V CA -0.921 61.397 62.300 0.030 0.000 0.848 15 V CB 1.938 33.761 31.823 0.001 0.000 0.990 15 V HN 0.451 nan 8.190 nan 0.000 0.430 16 V N 5.723 125.632 119.914 -0.008 0.000 2.406 16 V HA 0.295 4.430 4.120 0.025 0.000 0.272 16 V C 0.071 176.145 176.094 -0.033 0.000 1.043 16 V CA -0.350 61.939 62.300 -0.019 0.000 0.915 16 V CB 1.663 33.468 31.823 -0.030 0.000 0.988 16 V HN 0.629 nan 8.190 nan 0.000 0.466 17 V N 7.368 127.264 119.914 -0.030 0.000 2.294 17 V HA 0.369 4.504 4.120 0.025 0.000 0.272 17 V C -0.023 176.051 176.094 -0.034 0.000 1.027 17 V CA -0.356 61.921 62.300 -0.039 0.000 0.823 17 V CB 1.041 32.840 31.823 -0.039 0.000 1.030 17 V HN 0.613 nan 8.190 nan 0.000 0.457 18 L N 4.401 125.599 121.223 -0.041 0.000 2.264 18 L HA 0.696 5.051 4.340 0.025 0.000 0.289 18 L C 1.080 177.929 176.870 -0.034 0.000 1.044 18 L CA -0.176 54.642 54.840 -0.037 0.000 0.807 18 L CB 1.124 43.156 42.059 -0.044 0.000 1.192 18 L HN 0.855 nan 8.230 nan 0.000 0.425 19 G N 1.696 110.482 108.800 -0.023 0.000 2.325 19 G HA2 -0.258 3.717 3.960 0.025 0.000 0.248 19 G HA3 -0.258 3.717 3.960 0.025 0.000 0.248 19 G C 0.721 175.604 174.900 -0.028 0.000 1.108 19 G CA 0.279 45.366 45.100 -0.022 0.000 0.881 19 G HN 0.788 nan 8.290 nan 0.000 0.494 20 S N -1.242 114.446 115.700 -0.020 0.000 2.453 20 S HA -0.044 4.441 4.470 0.025 0.000 0.231 20 S C 2.243 176.824 174.600 -0.033 0.000 1.005 20 S CA 1.950 60.136 58.200 -0.024 0.000 0.949 20 S CB -0.228 62.965 63.200 -0.011 0.000 0.774 20 S HN 1.481 nan 8.310 nan 0.000 0.510 21 T N -1.469 113.064 114.554 -0.035 0.000 3.065 21 T HA 0.367 4.732 4.350 0.025 0.000 0.252 21 T C 1.085 175.697 174.700 -0.146 0.000 1.099 21 T CA 0.200 62.256 62.100 -0.072 0.000 1.063 21 T CB -0.417 68.431 68.868 -0.034 0.000 0.948 21 T HN 0.425 nan 8.240 nan 0.000 0.506 22 G N 1.333 110.070 108.800 -0.105 0.000 2.651 22 G HA2 0.362 4.337 3.960 0.025 0.000 0.260 22 G HA3 0.362 4.337 3.960 0.025 0.000 0.260 22 G C 1.151 175.997 174.900 -0.090 0.000 1.216 22 G CA 0.013 45.047 45.100 -0.109 0.000 0.913 22 G HN 0.334 nan 8.290 nan 0.000 0.535 23 S N -0.448 115.209 115.700 -0.072 0.000 2.399 23 S HA -0.129 4.356 4.470 0.025 0.000 0.231 23 S C 2.113 176.684 174.600 -0.049 0.000 1.022 23 S CA 0.881 59.051 58.200 -0.050 0.000 0.983 23 S CB -0.174 63.012 63.200 -0.023 0.000 0.803 23 S HN 0.357 nan 8.310 nan 0.000 0.480 24 I N 2.703 123.236 120.570 -0.061 0.000 2.286 24 I HA -0.004 4.181 4.170 0.025 0.000 0.245 24 I C 2.863 178.939 176.117 -0.067 0.000 1.104 24 I CA 1.298 62.555 61.300 -0.072 0.000 1.397 24 I CB -2.165 35.783 38.000 -0.087 0.000 1.072 24 I HN 0.472 nan 8.210 nan 0.000 0.417 25 G N 1.085 109.847 108.800 -0.063 0.000 2.446 25 G HA2 -0.300 3.675 3.960 0.025 0.000 0.217 25 G HA3 -0.300 3.675 3.960 0.025 0.000 0.217 25 G C 1.719 176.589 174.900 -0.051 0.000 1.168 25 G CA 1.829 46.895 45.100 -0.057 0.000 0.771 25 G HN 0.474 nan 8.290 nan 0.000 0.551 26 T N -1.464 113.061 114.554 -0.049 0.000 2.857 26 T HA -0.059 4.306 4.350 0.025 0.000 0.266 26 T C 2.256 176.937 174.700 -0.031 0.000 1.048 26 T CA 1.550 63.627 62.100 -0.038 0.000 1.139 26 T CB -0.310 68.534 68.868 -0.040 0.000 0.874 26 T HN 0.392 nan 8.240 nan 0.000 0.455 27 Q N 0.961 120.740 119.800 -0.035 0.000 2.084 27 Q HA 0.080 4.435 4.340 0.025 0.000 0.202 27 Q C 2.826 178.800 176.000 -0.042 0.000 0.978 27 Q CA 1.416 57.202 55.803 -0.029 0.000 0.844 27 Q CB -0.463 28.259 28.738 -0.027 0.000 0.898 27 Q HN 0.730 nan 8.270 nan 0.000 0.426 28 A N 1.024 123.806 122.820 -0.064 0.000 1.877 28 A HA -0.170 4.165 4.320 0.025 0.000 0.216 28 A C 2.055 179.590 177.584 -0.081 0.000 1.186 28 A CA 1.127 53.107 52.037 -0.096 0.000 0.620 28 A CB -0.753 18.180 19.000 -0.111 0.000 0.822 28 A HN 0.300 nan 8.150 nan 0.000 0.443 29 L N -0.881 120.312 121.223 -0.051 0.000 2.127 29 L HA -0.270 4.085 4.340 0.025 0.000 0.211 29 L C 2.829 179.695 176.870 -0.007 0.000 1.089 29 L CA 1.635 56.459 54.840 -0.025 0.000 0.757 29 L CB -0.776 41.274 42.059 -0.015 0.000 0.899 29 L HN 0.537 nan 8.230 nan 0.000 0.434 30 Q N -0.557 119.238 119.800 -0.007 0.000 2.079 30 Q HA -0.146 4.209 4.340 0.025 0.000 0.200 30 Q C 2.402 178.416 176.000 0.023 0.000 0.974 30 Q CA 1.228 57.036 55.803 0.009 0.000 0.840 30 Q CB -0.090 28.653 28.738 0.008 0.000 0.898 30 Q HN 0.344 nan 8.270 nan 0.000 0.430 31 V N 1.001 120.920 119.914 0.008 0.000 2.343 31 V HA -0.256 3.879 4.120 0.025 0.000 0.247 31 V C 2.101 178.251 176.094 0.092 0.000 1.051 31 V CA 1.548 63.868 62.300 0.033 0.000 1.036 31 V CB -0.406 31.401 31.823 -0.028 0.000 0.654 31 V HN 0.342 nan 8.190 nan 0.000 0.451 32 I N 0.458 121.053 120.570 0.041 0.000 2.226 32 I HA -0.227 3.958 4.170 0.025 0.000 0.245 32 I C 2.630 178.830 176.117 0.139 0.000 1.100 32 I CA 1.505 62.884 61.300 0.132 0.000 1.374 32 I CB -0.552 37.475 38.000 0.045 0.000 1.057 32 I HN 0.281 nan 8.210 nan 0.000 0.413 33 A N 0.272 123.140 122.820 0.079 0.000 1.969 33 A HA -0.212 4.123 4.320 0.025 0.000 0.218 33 A C 1.811 179.435 177.584 0.067 0.000 1.169 33 A CA 1.905 53.981 52.037 0.064 0.000 0.635 33 A CB -0.489 18.536 19.000 0.042 0.000 0.810 33 A HN 0.336 nan 8.150 nan 0.000 0.445 34 D N 0.100 120.545 120.400 0.076 0.000 2.317 34 D HA -0.008 4.647 4.640 0.025 0.000 0.211 34 D C 0.044 176.391 176.300 0.078 0.000 0.966 34 D CA 0.607 54.648 54.000 0.069 0.000 0.876 34 D CB -0.062 40.777 40.800 0.066 0.000 0.927 34 D HN 0.385 nan 8.370 nan 0.000 0.519 35 N N 0.645 119.415 118.700 0.116 0.000 2.723 35 N HA 0.096 4.851 4.740 0.025 0.000 0.290 35 N C -2.125 173.420 175.510 0.058 0.000 1.882 35 N CA -0.797 52.308 53.050 0.091 0.000 0.851 35 N CB 1.985 40.565 38.487 0.155 0.000 1.234 35 N HN 0.073 nan 8.380 nan 0.000 0.491 36 P HA -0.100 nan 4.420 nan 0.000 0.226 36 P C 0.784 178.074 177.300 -0.018 0.000 1.153 36 P CA 1.043 64.161 63.100 0.031 0.000 0.777 36 P CB 0.306 32.023 31.700 0.029 0.000 0.794 37 D N -0.636 119.731 120.400 -0.054 0.000 2.277 37 D HA -0.110 4.545 4.640 0.025 0.000 0.208 37 D C 1.720 177.913 176.300 -0.178 0.000 0.962 37 D CA 0.615 54.562 54.000 -0.089 0.000 0.865 37 D CB -0.205 40.549 40.800 -0.077 0.000 0.939 37 D HN 0.094 nan 8.370 nan 0.000 0.510 38 R N -0.570 119.742 120.500 -0.314 0.000 2.146 38 R HA 0.257 4.613 4.340 0.025 0.000 0.206 38 R C 0.204 176.023 176.300 -0.802 0.000 1.049 38 R CA 0.329 55.998 56.100 -0.718 0.000 1.029 38 R CB 0.318 29.900 30.300 -1.197 0.000 0.949 38 R HN 0.223 nan 8.270 nan 0.000 0.471 39 F N 0.548 120.506 119.950 0.014 0.000 2.601 39 F HA 0.294 4.830 4.527 0.015 0.000 0.309 39 F C -0.492 175.315 175.800 0.012 0.000 1.089 39 F CA -1.256 56.752 58.000 0.014 0.000 0.940 39 F CB 2.111 41.121 39.000 0.015 0.000 1.273 39 F HN -0.131 nan 8.300 nan 0.000 0.450 40 E N 0.367 120.692 120.200 0.209 0.000 2.292 40 E HA 0.635 5.000 4.350 0.025 0.000 0.272 40 E C -1.859 174.799 176.600 0.098 0.000 0.881 40 E CA -1.111 55.362 56.400 0.122 0.000 0.754 40 E CB 2.311 32.056 29.700 0.076 0.000 1.201 40 E HN 0.306 nan 8.360 nan 0.000 0.425 41 V N 3.123 123.078 119.914 0.068 0.000 2.508 41 V HA 0.056 4.191 4.120 0.025 0.000 0.281 41 V C 1.021 177.139 176.094 0.040 0.000 1.041 41 V CA 0.064 62.390 62.300 0.043 0.000 1.016 41 V CB 0.945 32.786 31.823 0.029 0.000 0.984 41 V HN 0.763 nan 8.190 nan 0.000 0.478 42 V N 1.488 121.423 119.914 0.034 0.000 3.605 42 V HA 0.719 4.854 4.120 0.025 0.000 0.284 42 V C 0.645 176.759 176.094 0.033 0.000 1.386 42 V CA 0.644 62.964 62.300 0.034 0.000 1.053 42 V CB 0.183 32.026 31.823 0.034 0.000 0.857 42 V HN 0.941 nan 8.190 nan 0.000 0.436 43 G N 0.283 109.098 108.800 0.025 0.000 2.702 43 G HA2 0.654 4.630 3.960 0.025 0.000 0.296 43 G HA3 0.654 4.630 3.960 0.025 0.000 0.296 43 G C -1.873 173.035 174.900 0.014 0.000 1.463 43 G CA -0.733 44.382 45.100 0.025 0.000 0.890 43 G HN 0.215 nan 8.290 nan 0.000 0.534 44 L N 0.623 121.861 121.223 0.025 0.000 2.408 44 L HA 0.833 5.188 4.340 0.025 0.000 0.268 44 L C 0.122 177.005 176.870 0.021 0.000 0.986 44 L CA -1.013 53.837 54.840 0.017 0.000 0.820 44 L CB 2.415 44.489 42.059 0.025 0.000 1.303 44 L HN 0.801 nan 8.230 nan 0.000 0.411 45 A N 2.265 125.088 122.820 0.006 0.000 2.343 45 A HA 0.976 5.311 4.320 0.025 0.000 0.316 45 A C -0.829 176.764 177.584 0.016 0.000 1.104 45 A CA -0.332 51.712 52.037 0.011 0.000 0.768 45 A CB 1.749 20.741 19.000 -0.013 0.000 1.213 45 A HN 0.796 nan 8.150 nan 0.000 0.456 46 A N 0.979 123.818 122.820 0.033 0.000 2.515 46 A HA 0.736 5.071 4.320 0.025 0.000 0.296 46 A C 0.941 178.553 177.584 0.047 0.000 1.094 46 A CA -0.036 52.023 52.037 0.038 0.000 0.718 46 A CB 0.962 19.990 19.000 0.047 0.000 1.307 46 A HN 1.684 nan 8.150 nan 0.000 0.408 47 G N -0.077 108.753 108.800 0.051 0.000 2.414 47 G HA2 0.333 4.308 3.960 0.025 0.000 0.215 47 G HA3 0.333 4.308 3.960 0.025 0.000 0.215 47 G C 1.152 176.087 174.900 0.059 0.000 1.188 47 G CA 1.478 46.609 45.100 0.052 0.000 0.783 47 G HN 2.357 nan 8.290 nan 0.000 0.537 48 G N -1.293 107.547 108.800 0.067 0.000 2.485 48 G HA2 0.147 4.122 3.960 0.025 0.000 0.181 48 G HA3 0.147 4.122 3.960 0.025 0.000 0.181 48 G C 1.347 176.270 174.900 0.038 0.000 0.999 48 G CA 1.000 46.134 45.100 0.057 0.000 0.721 48 G HN 1.076 nan 8.290 nan 0.000 0.486 49 A N -0.013 122.831 122.820 0.041 0.000 1.940 49 A HA 0.197 4.532 4.320 0.025 0.000 0.219 49 A C 0.962 178.444 177.584 -0.170 0.000 1.176 49 A CA 1.810 53.821 52.037 -0.043 0.000 0.631 49 A CB -0.360 18.638 19.000 -0.003 0.000 0.814 49 A HN 0.680 nan 8.150 nan 0.000 0.446 50 H N -1.603 117.474 119.070 0.012 0.000 2.587 50 H HA 0.586 5.158 4.556 0.026 0.000 0.325 50 H C 0.483 175.819 175.328 0.013 0.000 1.012 50 H CA -0.401 55.654 56.048 0.011 0.000 1.213 50 H CB 1.283 31.051 29.762 0.009 0.000 1.431 50 H HN 0.127 nan 8.280 nan 0.000 0.492 51 L N 1.269 122.545 121.223 0.088 0.000 2.577 51 L HA 0.025 4.380 4.340 0.025 0.000 0.225 51 L C 1.745 178.648 176.870 0.055 0.000 1.053 51 L CA 0.191 55.068 54.840 0.060 0.000 0.866 51 L CB 0.121 42.199 42.059 0.032 0.000 1.132 51 L HN 0.637 nan 8.230 nan 0.000 0.486 52 D N -0.369 120.064 120.400 0.055 0.000 2.149 52 D HA -0.182 4.473 4.640 0.025 0.000 0.198 52 D C 1.646 177.976 176.300 0.050 0.000 0.990 52 D CA 1.806 55.834 54.000 0.046 0.000 0.839 52 D CB -0.533 40.293 40.800 0.043 0.000 0.948 52 D HN 0.158 nan 8.370 nan 0.000 0.460 53 T N 1.142 115.738 114.554 0.069 0.000 2.701 53 T HA -0.107 4.258 4.350 0.025 0.000 0.263 53 T C 1.944 176.667 174.700 0.039 0.000 1.040 53 T CA 1.010 63.140 62.100 0.049 0.000 1.147 53 T CB -0.471 68.423 68.868 0.044 0.000 0.865 53 T HN 0.070 nan 8.240 nan 0.000 0.426 54 L N 1.031 122.284 121.223 0.050 0.000 2.079 54 L HA 0.000 4.355 4.340 0.025 0.000 0.210 54 L C 2.133 179.023 176.870 0.034 0.000 1.081 54 L CA 1.547 56.412 54.840 0.041 0.000 0.752 54 L CB -0.697 41.391 42.059 0.050 0.000 0.896 54 L HN 0.262 nan 8.230 nan 0.000 0.433 55 L N -1.018 120.225 121.223 0.033 0.000 2.093 55 L HA -0.193 4.162 4.340 0.025 0.000 0.208 55 L C 2.749 179.633 176.870 0.023 0.000 1.085 55 L CA 1.447 56.303 54.840 0.027 0.000 0.755 55 L CB -0.497 41.577 42.059 0.024 0.000 0.904 55 L HN 0.294 nan 8.230 nan 0.000 0.435 56 R N 0.055 120.569 120.500 0.024 0.000 2.092 56 R HA -0.163 4.192 4.340 0.025 0.000 0.231 56 R C 2.331 178.642 176.300 0.019 0.000 1.119 56 R CA 1.274 57.386 56.100 0.020 0.000 0.970 56 R CB -0.006 30.305 30.300 0.020 0.000 0.864 56 R HN 0.402 nan 8.270 nan 0.000 0.440 57 Q N -0.389 119.423 119.800 0.020 0.000 2.079 57 Q HA -0.186 4.169 4.340 0.025 0.000 0.200 57 Q C 2.176 178.189 176.000 0.021 0.000 0.974 57 Q CA 1.587 57.401 55.803 0.018 0.000 0.840 57 Q CB -0.160 28.588 28.738 0.016 0.000 0.898 57 Q HN 0.275 nan 8.270 nan 0.000 0.430 58 R N 0.656 121.170 120.500 0.024 0.000 2.083 58 R HA -0.194 4.161 4.340 0.025 0.000 0.237 58 R C 2.174 178.487 176.300 0.021 0.000 1.137 58 R CA 1.503 57.618 56.100 0.024 0.000 0.951 58 R CB -0.303 30.012 30.300 0.026 0.000 0.851 58 R HN 0.257 nan 8.270 nan 0.000 0.434 59 A N 0.420 123.252 122.820 0.019 0.000 1.902 59 A HA -0.189 4.146 4.320 0.025 0.000 0.217 59 A C 2.047 179.641 177.584 0.017 0.000 1.181 59 A CA 1.489 53.536 52.037 0.017 0.000 0.623 59 A CB -0.412 18.598 19.000 0.016 0.000 0.818 59 A HN 0.515 nan 8.150 nan 0.000 0.443 60 Q N -0.986 118.825 119.800 0.018 0.000 2.137 60 Q HA -0.084 4.271 4.340 0.025 0.000 0.198 60 Q C 2.163 178.175 176.000 0.020 0.000 0.960 60 Q CA 1.727 57.541 55.803 0.018 0.000 0.847 60 Q CB -0.234 28.514 28.738 0.017 0.000 0.915 60 Q HN 0.861 nan 8.270 nan 0.000 0.448 61 T N -3.800 110.767 114.554 0.022 0.000 3.057 61 T HA 0.219 4.584 4.350 0.025 0.000 0.254 61 T C 1.474 176.189 174.700 0.025 0.000 1.094 61 T CA 0.621 62.736 62.100 0.024 0.000 1.088 61 T CB 0.418 69.301 68.868 0.025 0.000 0.934 61 T HN 0.411 nan 8.240 nan 0.000 0.497 62 G N 0.999 109.813 108.800 0.023 0.000 2.155 62 G HA2 -0.231 3.744 3.960 0.025 0.000 0.257 62 G HA3 -0.231 3.744 3.960 0.025 0.000 0.257 62 G C 0.085 175.000 174.900 0.025 0.000 0.983 62 G CA 0.144 45.257 45.100 0.022 0.000 0.676 62 G HN 0.724 nan 8.290 nan 0.000 0.528 63 V N 1.660 121.591 119.914 0.029 0.000 2.408 63 V HA 0.470 4.605 4.120 0.025 0.000 0.267 63 V C 1.569 177.685 176.094 0.037 0.000 1.047 63 V CA 0.889 63.210 62.300 0.034 0.000 0.937 63 V CB 1.153 32.998 31.823 0.035 0.000 0.999 63 V HN 0.656 nan 8.190 nan 0.000 0.472 64 T N 0.441 115.019 114.554 0.039 0.000 3.023 64 T HA 0.074 4.439 4.350 0.025 0.000 0.253 64 T C 0.814 175.548 174.700 0.057 0.000 1.038 64 T CA -0.171 61.953 62.100 0.039 0.000 0.962 64 T CB -0.286 68.598 68.868 0.026 0.000 1.018 64 T HN 0.422 nan 8.240 nan 0.000 0.521 65 N N 1.833 120.577 118.700 0.074 0.000 2.549 65 N HA 0.303 5.058 4.740 0.025 0.000 0.267 65 N C -1.076 174.521 175.510 0.145 0.000 1.182 65 N CA -0.305 52.821 53.050 0.126 0.000 1.019 65 N CB -0.678 37.881 38.487 0.120 0.000 1.380 65 N HN 0.519 nan 8.380 nan 0.000 0.505 66 I N 0.962 121.634 120.570 0.171 0.000 2.608 66 I HA 0.538 4.723 4.170 0.025 0.000 0.295 66 I C -0.361 175.892 176.117 0.226 0.000 1.049 66 I CA -1.271 60.118 61.300 0.149 0.000 1.063 66 I CB 2.120 40.178 38.000 0.096 0.000 1.248 66 I HN 0.302 nan 8.210 nan 0.000 0.424 67 A N 5.678 128.595 122.820 0.162 0.000 2.318 67 A HA 0.816 5.151 4.320 0.025 0.000 0.324 67 A C -0.925 176.728 177.584 0.115 0.000 1.170 67 A CA -0.489 51.646 52.037 0.163 0.000 0.810 67 A CB 1.165 20.203 19.000 0.063 0.000 1.198 67 A HN 0.427 nan 8.150 nan 0.000 0.484 68 V N 2.689 122.685 119.914 0.136 0.000 2.443 68 V HA 0.463 4.598 4.120 0.025 0.000 0.293 68 V C 1.106 177.269 176.094 0.115 0.000 1.021 68 V CA 0.111 62.475 62.300 0.107 0.000 0.848 68 V CB 0.972 32.853 31.823 0.096 0.000 0.998 68 V HN 1.173 nan 8.190 nan 0.000 0.424 69 A N 3.349 126.219 122.820 0.084 0.000 1.845 69 A HA -0.100 4.236 4.320 0.025 0.000 0.215 69 A C 1.077 178.714 177.584 0.088 0.000 1.195 69 A CA 1.322 53.405 52.037 0.077 0.000 0.616 69 A CB -0.382 18.650 19.000 0.053 0.000 0.832 69 A HN 0.867 nan 8.150 nan 0.000 0.443 70 D N -0.268 120.181 120.400 0.081 0.000 2.434 70 D HA 0.113 4.768 4.640 0.025 0.000 0.252 70 D C 1.130 177.486 176.300 0.093 0.000 1.185 70 D CA 0.110 54.165 54.000 0.092 0.000 0.886 70 D CB 0.545 41.394 40.800 0.083 0.000 1.148 70 D HN 0.278 nan 8.370 nan 0.000 0.483 71 E N 2.581 122.835 120.200 0.090 0.000 2.051 71 E HA -0.196 4.170 4.350 0.025 0.000 0.192 71 E C 1.610 178.158 176.600 -0.086 0.000 0.991 71 E CA 1.090 57.486 56.400 -0.006 0.000 0.799 71 E CB -0.157 29.510 29.700 -0.055 0.000 0.748 71 E HN 0.701 nan 8.360 nan 0.000 0.449 72 H N 0.198 119.261 119.070 -0.013 0.000 2.387 72 H HA -0.016 4.555 4.556 0.025 0.000 0.299 72 H C 2.068 177.382 175.328 -0.024 0.000 1.090 72 H CA 1.176 57.211 56.048 -0.022 0.000 1.332 72 H CB 0.024 29.777 29.762 -0.014 0.000 1.386 72 H HN 0.147 nan 8.280 nan 0.000 0.516 73 A N 1.416 124.302 122.820 0.109 0.000 1.902 73 A HA -0.079 4.256 4.320 0.025 0.000 0.217 73 A C 2.708 180.304 177.584 0.019 0.000 1.181 73 A CA 1.520 53.590 52.037 0.055 0.000 0.623 73 A CB -0.763 18.269 19.000 0.054 0.000 0.818 73 A HN 0.426 nan 8.150 nan 0.000 0.443 74 A N -0.778 122.041 122.820 -0.002 0.000 1.933 74 A HA -0.181 4.155 4.320 0.025 0.000 0.218 74 A C 2.107 179.627 177.584 -0.108 0.000 1.175 74 A CA 1.699 53.707 52.037 -0.048 0.000 0.628 74 A CB -0.405 18.553 19.000 -0.070 0.000 0.814 74 A HN 0.556 nan 8.150 nan 0.000 0.444 75 Q N -0.516 119.211 119.800 -0.122 0.000 2.083 75 Q HA -0.127 4.228 4.340 0.025 0.000 0.198 75 Q C 2.179 178.147 176.000 -0.054 0.000 0.969 75 Q CA 1.490 57.225 55.803 -0.113 0.000 0.838 75 Q CB -0.535 28.130 28.738 -0.122 0.000 0.900 75 Q HN 0.789 nan 8.270 nan 0.000 0.436 76 R N 1.246 121.732 120.500 -0.024 0.000 2.091 76 R HA -0.126 4.229 4.340 0.025 0.000 0.238 76 R C 2.280 178.576 176.300 -0.006 0.000 1.136 76 R CA 1.745 57.842 56.100 -0.005 0.000 0.959 76 R CB -0.065 30.242 30.300 0.013 0.000 0.856 76 R HN 0.262 nan 8.270 nan 0.000 0.437 77 V N -2.299 117.612 119.914 -0.005 0.000 2.488 77 V HA 0.258 4.393 4.120 0.025 0.000 0.246 77 V C 1.052 177.142 176.094 -0.006 0.000 1.046 77 V CA 0.732 63.033 62.300 0.002 0.000 1.053 77 V CB -1.109 30.722 31.823 0.014 0.000 0.679 77 V HN 0.534 nan 8.190 nan 0.000 0.458 78 G N 0.442 109.229 108.800 -0.022 0.000 2.767 78 G HA2 0.023 3.998 3.960 0.025 0.000 0.686 78 G HA3 0.023 3.998 3.960 0.025 0.000 0.686 78 G C -0.426 174.463 174.900 -0.018 0.000 1.213 78 G CA -0.240 44.844 45.100 -0.028 0.000 0.803 78 G HN 0.887 nan 8.290 nan 0.000 0.603 79 D N -1.194 119.191 120.400 -0.025 0.000 2.746 79 D HA -0.157 4.498 4.640 0.025 0.000 0.236 79 D C 0.679 176.980 176.300 0.002 0.000 1.129 79 D CA 1.430 55.422 54.000 -0.012 0.000 0.691 79 D CB -0.727 40.069 40.800 -0.008 0.000 1.077 79 D HN 0.700 nan 8.370 nan 0.000 0.432 80 I N 1.109 121.688 120.570 0.014 0.000 2.312 80 I HA 0.133 4.318 4.170 0.025 0.000 0.290 80 I C -0.795 175.375 176.117 0.088 0.000 1.008 80 I CA -1.837 59.499 61.300 0.060 0.000 1.226 80 I CB 1.159 39.208 38.000 0.081 0.000 1.371 80 I HN -0.187 nan 8.210 nan 0.000 0.468 81 P HA -0.078 nan 4.420 nan 0.000 0.222 81 P C -0.372 176.653 177.300 -0.459 0.000 1.153 81 P CA 1.189 64.130 63.100 -0.266 0.000 0.798 81 P CB 0.217 31.663 31.700 -0.424 0.000 0.796 82 Y N 1.191 121.515 120.300 0.040 0.000 2.338 82 Y HA 0.372 4.938 4.550 0.026 0.000 0.328 82 Y C 0.878 176.790 175.900 0.019 0.000 0.965 82 Y CA -0.938 57.137 58.100 -0.041 0.000 1.208 82 Y CB 1.082 39.526 38.460 -0.025 0.000 1.132 82 Y HN 0.066 nan 8.280 nan 0.000 0.469 83 H N 0.877 120.017 119.070 0.115 0.000 2.961 83 H HA 0.827 5.398 4.556 0.025 0.000 0.371 83 H C 0.200 175.560 175.328 0.053 0.000 1.190 83 H CA -0.968 55.121 56.048 0.068 0.000 1.138 83 H CB 1.850 31.629 29.762 0.027 0.000 1.816 83 H HN 0.840 nan 8.280 nan 0.000 0.551 84 G N 0.841 109.743 108.800 0.169 0.000 2.512 84 G HA2 -0.297 3.678 3.960 0.025 0.000 0.210 84 G HA3 -0.297 3.678 3.960 0.025 0.000 0.210 84 G C 0.633 175.567 174.900 0.058 0.000 1.295 84 G CA 0.147 45.308 45.100 0.102 0.000 0.934 84 G HN 0.665 nan 8.290 nan 0.000 0.554 85 S N 0.227 115.950 115.700 0.039 0.000 2.427 85 S HA -0.111 4.374 4.470 0.025 0.000 0.231 85 S C 1.123 175.733 174.600 0.017 0.000 1.045 85 S CA 1.905 60.121 58.200 0.026 0.000 1.154 85 S CB -0.246 62.965 63.200 0.019 0.000 1.093 85 S HN 0.664 nan 8.310 nan 0.000 0.422 86 D N 0.932 121.336 120.400 0.007 0.000 3.058 86 D HA 0.547 5.202 4.640 0.025 0.000 0.272 86 D C 1.078 177.370 176.300 -0.014 0.000 1.350 86 D CA 0.103 54.099 54.000 -0.006 0.000 0.863 86 D CB 0.490 41.282 40.800 -0.012 0.000 1.064 86 D HN 0.308 nan 8.370 nan 0.000 0.488 87 A N 0.925 123.749 122.820 0.008 0.000 1.865 87 A HA -0.187 4.148 4.320 0.025 0.000 0.217 87 A C 2.307 179.848 177.584 -0.071 0.000 1.191 87 A CA 1.959 54.010 52.037 0.024 0.000 0.623 87 A CB -0.343 18.707 19.000 0.082 0.000 0.826 87 A HN 0.369 nan 8.150 nan 0.000 0.444 88 A N -1.126 121.659 122.820 -0.057 0.000 1.908 88 A HA -0.121 4.214 4.320 0.025 0.000 0.218 88 A C 2.314 179.817 177.584 -0.135 0.000 1.181 88 A CA 2.450 54.431 52.037 -0.093 0.000 0.627 88 A CB -1.407 17.561 19.000 -0.053 0.000 0.818 88 A HN 0.467 nan 8.150 nan 0.000 0.445 89 T N -0.388 114.105 114.554 -0.103 0.000 2.720 89 T HA -0.156 4.209 4.350 0.025 0.000 0.268 89 T C 2.063 176.674 174.700 -0.147 0.000 1.037 89 T CA 1.623 63.663 62.100 -0.101 0.000 1.144 89 T CB -0.237 68.593 68.868 -0.062 0.000 0.864 89 T HN 0.519 nan 8.240 nan 0.000 0.444 90 R N 0.207 120.599 120.500 -0.181 0.000 2.075 90 R HA 0.037 4.392 4.340 0.025 0.000 0.232 90 R C 2.470 178.448 176.300 -0.536 0.000 1.126 90 R CA 0.954 56.915 56.100 -0.231 0.000 0.963 90 R CB -0.637 29.614 30.300 -0.081 0.000 0.858 90 R HN 0.256 nan 8.270 nan 0.000 0.435 91 L N 0.829 121.542 121.223 -0.850 0.000 2.013 91 L HA -0.207 4.148 4.340 0.025 0.000 0.212 91 L C 2.088 178.729 176.870 -0.381 0.000 1.073 91 L CA 1.673 55.977 54.840 -0.893 0.000 0.753 91 L CB -0.308 41.403 42.059 -0.580 0.000 0.890 91 L HN -0.074 nan 8.230 nan 0.000 0.432 92 V N -0.320 119.445 119.914 -0.248 0.000 2.343 92 V HA -0.273 3.862 4.120 0.025 0.000 0.247 92 V C 2.484 178.512 176.094 -0.111 0.000 1.051 92 V CA 2.067 64.283 62.300 -0.141 0.000 1.036 92 V CB -0.715 31.044 31.823 -0.106 0.000 0.654 92 V HN 0.509 nan 8.190 nan 0.000 0.451 93 E N -0.232 119.897 120.200 -0.118 0.000 2.160 93 E HA -0.250 4.115 4.350 0.025 0.000 0.195 93 E C 1.940 178.511 176.600 -0.048 0.000 0.991 93 E CA 1.247 57.604 56.400 -0.072 0.000 0.810 93 E CB -0.045 29.619 29.700 -0.060 0.000 0.742 93 E HN 0.675 nan 8.360 nan 0.000 0.466 94 Q N -0.509 119.253 119.800 -0.064 0.000 2.194 94 Q HA 0.114 4.469 4.340 0.025 0.000 0.214 94 Q C -0.534 175.477 176.000 0.019 0.000 0.838 94 Q CA 0.066 55.872 55.803 0.006 0.000 0.972 94 Q CB 1.578 30.371 28.738 0.092 0.000 1.131 94 Q HN -0.059 nan 8.270 nan 0.000 0.498 95 T N 1.153 115.695 114.554 -0.020 0.000 2.779 95 T HA 0.231 4.596 4.350 0.025 0.000 0.280 95 T C -0.483 174.217 174.700 -0.001 0.000 0.987 95 T CA -0.539 61.562 62.100 0.001 0.000 0.966 95 T CB 1.508 70.367 68.868 -0.016 0.000 0.933 95 T HN 0.046 nan 8.240 nan 0.000 0.442 96 E N 1.906 122.114 120.200 0.013 0.000 2.257 96 E HA 0.496 4.861 4.350 0.025 0.000 0.278 96 E C -0.355 176.253 176.600 0.014 0.000 1.049 96 E CA -0.317 56.090 56.400 0.012 0.000 0.876 96 E CB 0.668 30.378 29.700 0.016 0.000 1.035 96 E HN 0.724 nan 8.360 nan 0.000 0.419 97 A N 3.436 126.263 122.820 0.011 0.000 2.594 97 A HA 0.318 4.653 4.320 0.025 0.000 0.291 97 A C -0.329 177.268 177.584 0.021 0.000 1.105 97 A CA -0.718 51.329 52.037 0.016 0.000 0.694 97 A CB 1.415 20.419 19.000 0.007 0.000 1.291 97 A HN 0.579 nan 8.150 nan 0.000 0.410 98 D N -0.591 119.830 120.400 0.035 0.000 2.379 98 D HA 0.216 4.872 4.640 0.025 0.000 0.218 98 D C -0.043 176.283 176.300 0.043 0.000 1.006 98 D CA 1.219 55.245 54.000 0.043 0.000 0.893 98 D CB 0.864 41.700 40.800 0.060 0.000 1.019 98 D HN 0.222 nan 8.370 nan 0.000 0.503 99 V N 1.531 121.469 119.914 0.040 0.000 2.686 99 V HA 0.295 4.430 4.120 0.025 0.000 0.306 99 V C -0.327 175.765 176.094 -0.004 0.000 1.065 99 V CA -0.868 61.447 62.300 0.023 0.000 0.894 99 V CB 2.899 34.746 31.823 0.040 0.000 1.004 99 V HN -0.256 nan 8.190 nan 0.000 0.424 100 V N 5.370 125.270 119.914 -0.023 0.000 2.357 100 V HA 0.409 4.544 4.120 0.025 0.000 0.284 100 V C -0.319 175.744 176.094 -0.051 0.000 1.018 100 V CA -0.537 61.740 62.300 -0.038 0.000 0.841 100 V CB 1.537 33.334 31.823 -0.043 0.000 0.991 100 V HN 0.676 nan 8.190 nan 0.000 0.437 101 L N 5.346 126.534 121.223 -0.059 0.000 2.268 101 L HA 0.486 4.841 4.340 0.025 0.000 0.289 101 L C 0.159 176.989 176.870 -0.065 0.000 1.064 101 L CA 0.277 55.075 54.840 -0.071 0.000 0.824 101 L CB 0.514 42.521 42.059 -0.086 0.000 1.202 101 L HN 0.613 nan 8.230 nan 0.000 0.433 102 N N 4.400 123.060 118.700 -0.067 0.000 2.521 102 N HA 0.368 5.123 4.740 0.025 0.000 0.236 102 N C -0.023 175.450 175.510 -0.062 0.000 1.067 102 N CA 0.291 53.304 53.050 -0.062 0.000 0.939 102 N CB 1.210 39.660 38.487 -0.062 0.000 1.201 102 N HN 0.703 nan 8.380 nan 0.000 0.511 103 A N 4.420 127.205 122.820 -0.058 0.000 2.574 103 A HA 0.293 4.628 4.320 0.025 0.000 0.283 103 A C 0.511 178.069 177.584 -0.044 0.000 1.270 103 A CA -0.391 51.612 52.037 -0.057 0.000 0.945 103 A CB -0.185 18.777 19.000 -0.064 0.000 1.127 103 A HN 0.578 nan 8.150 nan 0.000 0.522 104 L N 0.211 121.411 121.223 -0.038 0.000 2.467 104 L HA 0.222 4.577 4.340 0.025 0.000 0.270 104 L C -0.143 176.712 176.870 -0.025 0.000 1.205 104 L CA -0.186 54.638 54.840 -0.027 0.000 0.828 104 L CB 1.039 43.083 42.059 -0.025 0.000 1.101 104 L HN 0.062 nan 8.230 nan 0.000 0.479 105 V N 1.677 121.582 119.914 -0.015 0.000 2.427 105 V HA 0.786 4.921 4.120 0.025 0.000 0.286 105 V C 0.614 176.704 176.094 -0.008 0.000 1.034 105 V CA 0.173 62.467 62.300 -0.011 0.000 0.893 105 V CB 0.639 32.460 31.823 -0.003 0.000 0.982 105 V HN 1.062 nan 8.190 nan 0.000 0.452 106 G N 4.078 112.872 108.800 -0.010 0.000 2.660 106 G HA2 0.131 4.106 3.960 0.025 0.000 0.215 106 G HA3 0.131 4.106 3.960 0.025 0.000 0.215 106 G C 0.774 175.666 174.900 -0.013 0.000 1.345 106 G CA -0.082 45.013 45.100 -0.009 0.000 0.877 106 G HN 1.494 nan 8.290 nan 0.000 0.549 107 A N -1.122 121.690 122.820 -0.014 0.000 2.070 107 A HA 0.167 4.502 4.320 0.025 0.000 0.220 107 A C 2.549 180.123 177.584 -0.016 0.000 1.159 107 A CA 2.468 54.494 52.037 -0.017 0.000 0.656 107 A CB -0.292 18.697 19.000 -0.019 0.000 0.800 107 A HN 1.646 nan 8.150 nan 0.000 0.453 108 L N -0.144 121.071 121.223 -0.013 0.000 2.189 108 L HA -0.116 4.239 4.340 0.025 0.000 0.214 108 L C 2.289 179.147 176.870 -0.020 0.000 1.097 108 L CA 1.882 56.715 54.840 -0.012 0.000 0.764 108 L CB -0.560 41.496 42.059 -0.006 0.000 0.900 108 L HN 0.339 nan 8.230 nan 0.000 0.436 109 G N -1.600 107.187 108.800 -0.023 0.000 2.623 109 G HA2 -0.162 3.813 3.960 0.025 0.000 0.214 109 G HA3 -0.162 3.813 3.960 0.025 0.000 0.214 109 G C 1.474 176.353 174.900 -0.035 0.000 1.138 109 G CA 0.532 45.613 45.100 -0.031 0.000 0.794 109 G HN 0.356 nan 8.290 nan 0.000 0.535 110 L N 0.678 121.882 121.223 -0.031 0.000 2.027 110 L HA 0.101 4.456 4.340 0.025 0.000 0.206 110 L C 2.829 179.679 176.870 -0.034 0.000 1.074 110 L CA 1.602 56.423 54.840 -0.033 0.000 0.745 110 L CB -0.427 41.615 42.059 -0.028 0.000 0.898 110 L HN 0.086 nan 8.230 nan 0.000 0.433 111 R N -0.371 120.111 120.500 -0.031 0.000 2.073 111 R HA -0.114 4.241 4.340 0.025 0.000 0.234 111 R C -0.096 176.180 176.300 -0.040 0.000 1.134 111 R CA 1.764 57.845 56.100 -0.032 0.000 0.952 111 R CB -1.797 28.487 30.300 -0.027 0.000 0.850 111 R HN 0.399 nan 8.270 nan 0.000 0.433 112 P HA -0.110 nan 4.420 nan 0.000 0.216 112 P C 1.136 178.404 177.300 -0.053 0.000 1.150 112 P CA 1.449 64.516 63.100 -0.054 0.000 0.837 112 P CB -0.057 31.611 31.700 -0.055 0.000 0.786 113 T N -0.356 114.168 114.554 -0.051 0.000 2.652 113 T HA -0.123 4.242 4.350 0.025 0.000 0.267 113 T C 1.716 176.386 174.700 -0.051 0.000 1.039 113 T CA 1.234 63.301 62.100 -0.054 0.000 1.153 113 T CB -0.940 67.894 68.868 -0.057 0.000 0.863 113 T HN 0.048 nan 8.240 nan 0.000 0.428 114 L N 0.599 121.795 121.223 -0.045 0.000 2.093 114 L HA -0.054 4.301 4.340 0.025 0.000 0.208 114 L C 2.966 179.812 176.870 -0.039 0.000 1.085 114 L CA 1.131 55.946 54.840 -0.041 0.000 0.755 114 L CB -0.599 41.440 42.059 -0.034 0.000 0.904 114 L HN 0.226 nan 8.230 nan 0.000 0.435 115 A N 0.058 122.853 122.820 -0.042 0.000 1.902 115 A HA -0.179 4.157 4.320 0.025 0.000 0.217 115 A C 2.553 180.110 177.584 -0.044 0.000 1.181 115 A CA 1.739 53.751 52.037 -0.043 0.000 0.623 115 A CB -0.771 18.198 19.000 -0.052 0.000 0.818 115 A HN 0.387 nan 8.150 nan 0.000 0.443 116 A N -0.165 122.626 122.820 -0.048 0.000 1.883 116 A HA -0.085 4.250 4.320 0.025 0.000 0.217 116 A C 2.172 179.732 177.584 -0.040 0.000 1.186 116 A CA 1.595 53.604 52.037 -0.046 0.000 0.624 116 A CB -0.669 18.300 19.000 -0.051 0.000 0.822 116 A HN 0.485 nan 8.150 nan 0.000 0.444 117 L N -0.741 120.456 121.223 -0.043 0.000 2.083 117 L HA -0.190 4.165 4.340 0.025 0.000 0.209 117 L C 2.598 179.448 176.870 -0.032 0.000 1.083 117 L CA 1.872 56.687 54.840 -0.041 0.000 0.752 117 L CB -0.426 41.605 42.059 -0.047 0.000 0.899 117 L HN 0.478 nan 8.230 nan 0.000 0.433 118 K N 0.241 120.622 120.400 -0.031 0.000 2.147 118 K HA -0.183 4.152 4.320 0.025 0.000 0.205 118 K C 2.043 178.630 176.600 -0.020 0.000 1.049 118 K CA 1.780 58.053 56.287 -0.024 0.000 0.936 118 K CB -0.051 32.435 32.500 -0.024 0.000 0.722 118 K HN 0.419 nan 8.250 nan 0.000 0.446 119 T N -3.454 111.087 114.554 -0.022 0.000 3.035 119 T HA 0.091 4.456 4.350 0.025 0.000 0.268 119 T C 1.473 176.166 174.700 -0.012 0.000 1.109 119 T CA 0.935 63.025 62.100 -0.017 0.000 1.119 119 T CB -0.087 68.769 68.868 -0.020 0.000 0.900 119 T HN 0.434 nan 8.240 nan 0.000 0.503 120 G N 1.092 109.884 108.800 -0.014 0.000 2.195 120 G HA2 -0.048 3.927 3.960 0.025 0.000 0.246 120 G HA3 -0.048 3.927 3.960 0.025 0.000 0.246 120 G C 0.364 175.261 174.900 -0.005 0.000 0.984 120 G CA -0.032 45.062 45.100 -0.009 0.000 0.633 120 G HN 1.197 nan 8.290 nan 0.000 0.525 121 A N 0.250 123.066 122.820 -0.008 0.000 2.406 121 A HA 0.638 4.973 4.320 0.025 0.000 0.243 121 A C 0.924 178.504 177.584 -0.007 0.000 1.082 121 A CA 0.726 52.761 52.037 -0.002 0.000 0.786 121 A CB 0.189 19.186 19.000 -0.005 0.000 1.029 121 A HN 1.011 nan 8.150 nan 0.000 0.495 122 R N 0.446 120.950 120.500 0.006 0.000 2.570 122 R HA 0.236 4.591 4.340 0.025 0.000 0.277 122 R C -1.054 175.231 176.300 -0.025 0.000 1.039 122 R CA -0.248 55.850 56.100 -0.003 0.000 1.065 122 R CB 0.089 30.407 30.300 0.030 0.000 0.964 122 R HN 0.543 nan 8.270 nan 0.000 0.428 123 L N 4.753 125.945 121.223 -0.052 0.000 2.283 123 L HA 0.381 4.736 4.340 0.025 0.000 0.281 123 L C -0.720 176.098 176.870 -0.086 0.000 1.033 123 L CA 0.002 54.802 54.840 -0.068 0.000 0.848 123 L CB 1.151 43.162 42.059 -0.079 0.000 1.226 123 L HN 0.758 nan 8.230 nan 0.000 0.429 124 A N 5.492 128.268 122.820 -0.074 0.000 2.437 124 A HA 0.430 4.765 4.320 0.025 0.000 0.303 124 A C -0.588 176.940 177.584 -0.093 0.000 1.324 124 A CA -0.323 51.662 52.037 -0.086 0.000 0.983 124 A CB -0.308 18.647 19.000 -0.075 0.000 1.142 124 A HN 0.653 nan 8.150 nan 0.000 0.541 125 L N 3.378 124.535 121.223 -0.109 0.000 2.257 125 L HA 0.617 4.972 4.340 0.025 0.000 0.290 125 L C 0.834 177.649 176.870 -0.092 0.000 1.044 125 L CA 0.529 55.307 54.840 -0.104 0.000 0.810 125 L CB 1.190 43.173 42.059 -0.127 0.000 1.193 125 L HN 0.656 nan 8.230 nan 0.000 0.425 126 A N 3.993 126.764 122.820 -0.082 0.000 2.055 126 A HA 0.109 4.444 4.320 0.025 0.000 0.205 126 A C 0.972 178.518 177.584 -0.063 0.000 1.235 126 A CA -0.053 51.937 52.037 -0.078 0.000 0.822 126 A CB -0.264 18.683 19.000 -0.088 0.000 0.903 126 A HN 0.744 nan 8.150 nan 0.000 0.473 127 N N 1.127 119.791 118.700 -0.059 0.000 2.423 127 N HA -0.024 4.731 4.740 0.025 0.000 0.275 127 N C 0.488 175.974 175.510 -0.040 0.000 1.283 127 N CA 0.118 53.140 53.050 -0.047 0.000 0.932 127 N CB 0.457 38.916 38.487 -0.047 0.000 1.185 127 N HN 0.344 nan 8.380 nan 0.000 0.483 128 K N 2.633 123.019 120.400 -0.024 0.000 2.097 128 K HA -0.221 4.114 4.320 0.025 0.000 0.206 128 K C 1.481 178.075 176.600 -0.009 0.000 1.049 128 K CA 1.285 57.568 56.287 -0.007 0.000 0.933 128 K CB 0.064 32.574 32.500 0.017 0.000 0.717 128 K HN 0.610 nan 8.250 nan 0.000 0.442 129 E N 1.230 121.424 120.200 -0.011 0.000 2.118 129 E HA -0.170 4.196 4.350 0.025 0.000 0.195 129 E C 1.708 178.294 176.600 -0.023 0.000 0.992 129 E CA 1.808 58.201 56.400 -0.011 0.000 0.804 129 E CB -0.054 29.637 29.700 -0.014 0.000 0.741 129 E HN 0.069 nan 8.360 nan 0.000 0.458 130 S N 0.013 115.691 115.700 -0.036 0.000 2.368 130 S HA -0.180 4.305 4.470 0.025 0.000 0.226 130 S C 1.832 176.400 174.600 -0.052 0.000 1.044 130 S CA 1.554 59.726 58.200 -0.047 0.000 1.062 130 S CB -0.316 62.847 63.200 -0.061 0.000 0.931 130 S HN 0.302 nan 8.310 nan 0.000 0.440 131 L N 0.431 121.618 121.223 -0.060 0.000 2.145 131 L HA 0.039 4.394 4.340 0.025 0.000 0.201 131 L C 2.322 179.174 176.870 -0.030 0.000 1.075 131 L CA 0.543 55.342 54.840 -0.067 0.000 0.773 131 L CB -0.456 41.535 42.059 -0.113 0.000 0.936 131 L HN 0.183 nan 8.230 nan 0.000 0.451 132 V N 0.158 120.066 119.914 -0.010 0.000 2.343 132 V HA -0.248 3.887 4.120 0.025 0.000 0.247 132 V C 2.531 178.636 176.094 0.019 0.000 1.051 132 V CA 1.987 64.299 62.300 0.020 0.000 1.036 132 V CB -0.693 31.159 31.823 0.048 0.000 0.654 132 V HN 0.470 nan 8.190 nan 0.000 0.451 133 A N -0.043 122.780 122.820 0.004 0.000 1.924 133 A HA 0.221 4.557 4.320 0.025 0.000 0.211 133 A C 2.337 179.913 177.584 -0.013 0.000 1.198 133 A CA 1.125 53.158 52.037 -0.006 0.000 0.657 133 A CB -0.883 18.107 19.000 -0.016 0.000 0.852 133 A HN 0.471 nan 8.150 nan 0.000 0.454 134 G N -0.616 108.172 108.800 -0.019 0.000 2.422 134 G HA2 0.260 4.235 3.960 0.025 0.000 0.218 134 G HA3 0.260 4.235 3.960 0.025 0.000 0.218 134 G C 1.416 176.305 174.900 -0.018 0.000 1.140 134 G CA 0.997 46.083 45.100 -0.023 0.000 0.775 134 G HN 1.348 nan 8.290 nan 0.000 0.545 135 G N 0.343 109.133 108.800 -0.016 0.000 2.698 135 G HA2 -0.412 3.563 3.960 0.025 0.000 0.337 135 G HA3 -0.412 3.563 3.960 0.025 0.000 0.337 135 G C 1.610 176.497 174.900 -0.021 0.000 1.286 135 G CA 1.319 46.414 45.100 -0.007 0.000 1.000 135 G HN 0.558 nan 8.290 nan 0.000 0.547 136 S N 0.194 115.890 115.700 -0.007 0.000 2.419 136 S HA 0.066 4.551 4.470 0.025 0.000 0.233 136 S C 2.547 177.134 174.600 -0.022 0.000 1.016 136 S CA 1.442 59.633 58.200 -0.015 0.000 0.974 136 S CB -0.269 62.932 63.200 0.001 0.000 0.786 136 S HN 0.443 nan 8.310 nan 0.000 0.492 137 L N 0.681 121.894 121.223 -0.016 0.000 2.013 137 L HA -0.149 4.207 4.340 0.025 0.000 0.212 137 L C 2.277 179.128 176.870 -0.032 0.000 1.073 137 L CA 1.214 56.043 54.840 -0.019 0.000 0.753 137 L CB -0.627 41.424 42.059 -0.015 0.000 0.890 137 L HN 0.235 nan 8.230 nan 0.000 0.432 138 V N -0.140 119.749 119.914 -0.041 0.000 2.307 138 V HA -0.271 3.864 4.120 0.025 0.000 0.245 138 V C 2.372 178.426 176.094 -0.067 0.000 1.045 138 V CA 1.473 63.740 62.300 -0.056 0.000 1.024 138 V CB -0.361 31.422 31.823 -0.066 0.000 0.651 138 V HN 0.333 nan 8.190 nan 0.000 0.449 139 L N -0.481 120.699 121.223 -0.072 0.000 2.012 139 L HA -0.221 4.134 4.340 0.025 0.000 0.210 139 L C 2.784 179.616 176.870 -0.064 0.000 1.073 139 L CA 1.803 56.594 54.840 -0.082 0.000 0.748 139 L CB -0.689 41.317 42.059 -0.088 0.000 0.891 139 L HN 0.231 nan 8.230 nan 0.000 0.431 140 R N -0.190 120.282 120.500 -0.047 0.000 2.120 140 R HA -0.133 4.222 4.340 0.025 0.000 0.234 140 R C 2.264 178.542 176.300 -0.036 0.000 1.123 140 R CA 1.245 57.323 56.100 -0.037 0.000 0.975 140 R CB -0.319 29.966 30.300 -0.026 0.000 0.866 140 R HN 0.376 nan 8.270 nan 0.000 0.446 141 A N 0.607 123.403 122.820 -0.040 0.000 2.119 141 A HA 0.214 4.549 4.320 0.025 0.000 0.216 141 A C 0.936 178.494 177.584 -0.044 0.000 1.152 141 A CA 0.679 52.693 52.037 -0.039 0.000 0.708 141 A CB 0.112 19.088 19.000 -0.039 0.000 0.805 141 A HN 0.294 nan 8.150 nan 0.000 0.460 142 A N 0.006 122.794 122.820 -0.054 0.000 2.306 142 A HA 0.649 4.984 4.320 0.025 0.000 0.314 142 A C 0.299 177.851 177.584 -0.053 0.000 1.164 142 A CA -0.678 51.323 52.037 -0.061 0.000 0.822 142 A CB 0.435 19.384 19.000 -0.085 0.000 1.130 142 A HN 0.469 nan 8.150 nan 0.000 0.496 143 R N 1.099 121.572 120.500 -0.046 0.000 2.528 143 R HA 0.387 4.742 4.340 0.025 0.000 0.271 143 R C -2.474 173.799 176.300 -0.044 0.000 1.056 143 R CA -1.570 54.508 56.100 -0.036 0.000 1.117 143 R CB 0.171 30.457 30.300 -0.023 0.000 1.085 143 R HN 0.449 nan 8.270 nan 0.000 0.530 144 P HA -0.006 nan 4.420 nan 0.000 0.264 144 P C 0.410 177.697 177.300 -0.023 0.000 1.193 144 P CA 0.842 63.922 63.100 -0.033 0.000 0.763 144 P CB 0.568 32.260 31.700 -0.012 0.000 0.810 145 G N 2.446 111.221 108.800 -0.042 0.000 2.205 145 G HA2 -0.351 3.624 3.960 0.025 0.000 0.261 145 G HA3 -0.351 3.624 3.960 0.025 0.000 0.261 145 G C 1.085 175.951 174.900 -0.057 0.000 0.980 145 G CA 0.476 45.558 45.100 -0.031 0.000 0.632 145 G HN 0.570 nan 8.290 nan 0.000 0.533 146 Q N -0.276 119.484 119.800 -0.066 0.000 2.172 146 Q HA 0.229 4.584 4.340 0.025 0.000 0.200 146 Q C 1.167 177.107 176.000 -0.100 0.000 0.964 146 Q CA 0.539 56.305 55.803 -0.062 0.000 0.855 146 Q CB 0.007 28.713 28.738 -0.052 0.000 0.918 146 Q HN 0.669 nan 8.270 nan 0.000 0.444 147 I N 1.605 122.086 120.570 -0.147 0.000 2.342 147 I HA 0.165 4.350 4.170 0.025 0.000 0.291 147 I C -0.930 175.032 176.117 -0.258 0.000 1.010 147 I CA -0.628 60.560 61.300 -0.187 0.000 1.308 147 I CB 1.649 39.523 38.000 -0.209 0.000 1.400 147 I HN -0.152 nan 8.210 nan 0.000 0.488 148 V N 8.479 128.243 119.914 -0.250 0.000 2.444 148 V HA 0.365 4.500 4.120 0.025 0.000 0.294 148 V C -2.169 173.771 176.094 -0.257 0.000 1.022 148 V CA -1.680 60.415 62.300 -0.341 0.000 0.850 148 V CB 1.762 33.382 31.823 -0.339 0.000 0.992 148 V HN 0.585 nan 8.190 nan 0.000 0.426 149 P HA 0.247 nan 4.420 nan 0.000 0.278 149 P C 0.314 177.561 177.300 -0.088 0.000 1.238 149 P CA 0.016 63.026 63.100 -0.150 0.000 0.794 149 P CB 2.278 33.921 31.700 -0.095 0.000 0.955 150 V N 0.767 120.640 119.914 -0.068 0.000 3.263 150 V HA 0.006 4.141 4.120 0.025 0.000 0.248 150 V C 1.205 177.236 176.094 -0.106 0.000 1.145 150 V CA 0.571 62.821 62.300 -0.082 0.000 1.107 150 V CB -0.736 31.028 31.823 -0.098 0.000 0.797 150 V HN 0.619 nan 8.190 nan 0.000 0.467 151 D N 1.318 121.675 120.400 -0.071 0.000 2.533 151 D HA -0.088 4.567 4.640 0.025 0.000 0.236 151 D C 1.547 177.725 176.300 -0.204 0.000 1.137 151 D CA 0.922 54.827 54.000 -0.159 0.000 0.867 151 D CB 1.531 42.299 40.800 -0.054 0.000 1.170 151 D HN 0.349 nan 8.370 nan 0.000 0.474 152 S N 3.512 119.009 115.700 -0.338 0.000 2.399 152 S HA -0.188 4.297 4.470 0.025 0.000 0.231 152 S C 1.365 175.883 174.600 -0.136 0.000 1.022 152 S CA 0.729 58.758 58.200 -0.285 0.000 0.983 152 S CB -0.062 62.865 63.200 -0.455 0.000 0.803 152 S HN 0.589 nan 8.310 nan 0.000 0.480 153 E N 1.389 121.492 120.200 -0.162 0.000 2.047 153 E HA -0.146 4.219 4.350 0.025 0.000 0.191 153 E C 2.022 178.582 176.600 -0.066 0.000 0.987 153 E CA 1.570 57.903 56.400 -0.113 0.000 0.799 153 E CB -0.539 29.034 29.700 -0.212 0.000 0.752 153 E HN 0.831 nan 8.360 nan 0.000 0.449 154 H N 0.088 119.195 119.070 0.061 0.000 2.395 154 H HA -0.003 4.568 4.556 0.025 0.000 0.299 154 H C 2.422 177.831 175.328 0.135 0.000 1.070 154 H CA 1.124 57.269 56.048 0.161 0.000 1.356 154 H CB 0.115 29.946 29.762 0.115 0.000 1.401 154 H HN 0.017 nan 8.280 nan 0.000 0.524 155 S N 0.426 116.210 115.700 0.142 0.000 2.368 155 S HA -0.203 4.282 4.470 0.025 0.000 0.225 155 S C 2.400 177.076 174.600 0.126 0.000 1.030 155 S CA 0.962 59.221 58.200 0.098 0.000 0.999 155 S CB -0.368 62.858 63.200 0.042 0.000 0.844 155 S HN 0.503 nan 8.310 nan 0.000 0.459 156 A N 1.570 124.448 122.820 0.097 0.000 1.877 156 A HA 0.019 4.354 4.320 0.025 0.000 0.216 156 A C 2.243 179.861 177.584 0.057 0.000 1.186 156 A CA 1.584 53.683 52.037 0.102 0.000 0.620 156 A CB -0.951 18.124 19.000 0.124 0.000 0.822 156 A HN 0.576 nan 8.150 nan 0.000 0.443 157 L N -0.711 120.507 121.223 -0.007 0.000 2.012 157 L HA -0.262 4.093 4.340 0.025 0.000 0.210 157 L C 3.126 179.877 176.870 -0.198 0.000 1.073 157 L CA 1.289 56.013 54.840 -0.194 0.000 0.748 157 L CB -0.638 41.162 42.059 -0.432 0.000 0.891 157 L HN 0.454 nan 8.230 nan 0.000 0.431 158 A N -0.591 122.216 122.820 -0.022 0.000 1.940 158 A HA -0.268 4.067 4.320 0.025 0.000 0.219 158 A C 2.217 179.974 177.584 0.289 0.000 1.176 158 A CA 1.774 53.888 52.037 0.130 0.000 0.631 158 A CB -0.468 18.573 19.000 0.067 0.000 0.814 158 A HN 0.523 nan 8.150 nan 0.000 0.446 159 Q N -1.167 118.803 119.800 0.285 0.000 2.046 159 Q HA -0.157 4.199 4.340 0.025 0.000 0.200 159 Q C 2.290 178.395 176.000 0.175 0.000 0.975 159 Q CA 1.643 57.607 55.803 0.269 0.000 0.836 159 Q CB -0.403 28.466 28.738 0.218 0.000 0.896 159 Q HN 0.745 nan 8.270 nan 0.000 0.428 160 C N 0.598 119.970 119.300 0.120 0.000 2.422 160 C HA -0.074 4.402 4.460 0.025 0.000 0.279 160 C C 2.410 177.519 174.990 0.198 0.000 1.305 160 C CA 0.433 59.527 59.018 0.127 0.000 1.757 160 C CB -0.899 26.871 27.740 0.049 0.000 1.962 160 C HN 0.465 nan 8.230 nan 0.000 0.499 161 L N 0.288 121.583 121.223 0.119 0.000 2.362 161 L HA -0.085 4.270 4.340 0.025 0.000 0.219 161 L C 2.632 179.637 176.870 0.226 0.000 1.134 161 L CA 0.981 55.917 54.840 0.160 0.000 0.807 161 L CB -0.516 41.553 42.059 0.017 0.000 0.927 161 L HN 0.350 nan 8.230 nan 0.000 0.447 162 R N -0.092 120.523 120.500 0.193 0.000 2.241 162 R HA -0.099 4.256 4.340 0.025 0.000 0.224 162 R C 2.163 178.506 176.300 0.072 0.000 1.101 162 R CA 0.919 57.099 56.100 0.132 0.000 0.995 162 R CB -0.473 29.889 30.300 0.104 0.000 0.870 162 R HN 0.389 nan 8.270 nan 0.000 0.463 163 G N -0.027 108.837 108.800 0.107 0.000 2.625 163 G HA2 0.091 4.066 3.960 0.025 0.000 0.214 163 G HA3 0.091 4.066 3.960 0.025 0.000 0.214 163 G C 0.399 174.965 174.900 -0.556 0.000 1.132 163 G CA 0.664 45.671 45.100 -0.156 0.000 0.782 163 G HN 0.466 nan 8.290 nan 0.000 0.538 164 G N -1.457 107.207 108.800 -0.226 0.000 2.488 164 G HA2 0.496 4.472 3.960 0.025 0.000 0.301 164 G HA3 0.496 4.472 3.960 0.025 0.000 0.301 164 G C -0.491 174.450 174.900 0.069 0.000 1.339 164 G CA 0.086 45.074 45.100 -0.187 0.000 0.803 164 G HN 0.552 nan 8.290 nan 0.000 0.482 165 T N -1.222 113.371 114.554 0.066 0.000 2.874 165 T HA 0.556 4.922 4.350 0.025 0.000 0.281 165 T C -1.508 173.267 174.700 0.125 0.000 0.994 165 T CA -1.124 61.027 62.100 0.085 0.000 1.015 165 T CB 1.924 70.821 68.868 0.049 0.000 1.028 165 T HN 0.133 nan 8.240 nan 0.000 0.523 166 P HA -0.121 nan 4.420 nan 0.000 0.216 166 P C 1.196 178.540 177.300 0.072 0.000 1.153 166 P CA 1.255 64.405 63.100 0.082 0.000 0.858 166 P CB -0.122 31.614 31.700 0.060 0.000 0.789 167 D N -0.315 120.124 120.400 0.064 0.000 2.350 167 D HA -0.165 4.490 4.640 0.025 0.000 0.216 167 D C 1.181 177.525 176.300 0.074 0.000 0.968 167 D CA 0.961 54.994 54.000 0.054 0.000 0.894 167 D CB -0.889 39.935 40.800 0.040 0.000 0.909 167 D HN 0.290 nan 8.370 nan 0.000 0.520 168 E N -0.190 120.082 120.200 0.120 0.000 2.474 168 E HA 0.120 4.485 4.350 0.025 0.000 0.195 168 E C -0.018 176.740 176.600 0.265 0.000 1.039 168 E CA -0.184 56.326 56.400 0.182 0.000 0.881 168 E CB 1.055 30.867 29.700 0.188 0.000 0.970 168 E HN 0.081 nan 8.360 nan 0.000 0.486 169 V N 1.481 121.479 119.914 0.141 0.000 2.508 169 V HA 0.094 4.229 4.120 0.025 0.000 0.281 169 V C 0.883 176.938 176.094 -0.065 0.000 1.041 169 V CA 0.392 62.656 62.300 -0.059 0.000 1.016 169 V CB 1.166 32.919 31.823 -0.116 0.000 0.984 169 V HN 0.216 nan 8.190 nan 0.000 0.478 170 A N 5.283 128.031 122.820 -0.120 0.000 1.944 170 A HA 0.349 4.684 4.320 0.025 0.000 0.207 170 A C 0.832 178.360 177.584 -0.093 0.000 1.265 170 A CA 0.538 52.532 52.037 -0.072 0.000 0.712 170 A CB 0.353 19.328 19.000 -0.041 0.000 0.915 170 A HN 0.676 nan 8.150 nan 0.000 0.470 171 K N -0.563 119.746 120.400 -0.152 0.000 2.546 171 K HA 0.608 4.943 4.320 0.025 0.000 0.264 171 K C -1.861 174.630 176.600 -0.182 0.000 0.937 171 K CA -0.442 55.769 56.287 -0.127 0.000 0.833 171 K CB 2.108 34.551 32.500 -0.095 0.000 1.378 171 K HN 0.185 nan 8.250 nan 0.000 0.432 172 L N 2.263 123.403 121.223 -0.138 0.000 2.307 172 L HA 0.552 4.907 4.340 0.025 0.000 0.284 172 L C -0.664 176.150 176.870 -0.093 0.000 1.023 172 L CA -1.222 53.527 54.840 -0.152 0.000 0.810 172 L CB 1.757 43.730 42.059 -0.143 0.000 1.231 172 L HN 0.236 nan 8.230 nan 0.000 0.423 173 V N 4.559 124.417 119.914 -0.094 0.000 2.326 173 V HA 0.327 4.462 4.120 0.025 0.000 0.281 173 V C -0.060 176.017 176.094 -0.027 0.000 1.015 173 V CA -0.506 61.761 62.300 -0.054 0.000 0.823 173 V CB 1.491 33.272 31.823 -0.071 0.000 1.009 173 V HN 0.432 nan 8.190 nan 0.000 0.436 174 L N 4.742 125.968 121.223 0.004 0.000 2.350 174 L HA 0.593 4.948 4.340 0.025 0.000 0.275 174 L C 0.914 177.810 176.870 0.045 0.000 1.099 174 L CA 0.501 55.355 54.840 0.023 0.000 0.808 174 L CB 1.604 43.683 42.059 0.034 0.000 1.149 174 L HN 0.827 nan 8.230 nan 0.000 0.442 175 T N -0.122 114.469 114.554 0.062 0.000 2.902 175 T HA 0.894 5.259 4.350 0.025 0.000 0.283 175 T C -0.343 174.413 174.700 0.093 0.000 1.009 175 T CA -0.766 61.392 62.100 0.097 0.000 1.051 175 T CB 1.788 70.724 68.868 0.113 0.000 0.999 175 T HN 0.746 nan 8.240 nan 0.000 0.474 176 A N 1.285 124.153 122.820 0.081 0.000 2.414 176 A HA 0.664 5.000 4.320 0.025 0.000 0.306 176 A C 1.114 178.697 177.584 -0.002 0.000 1.054 176 A CA -0.367 51.694 52.037 0.040 0.000 0.724 176 A CB 1.441 20.447 19.000 0.010 0.000 1.267 176 A HN 1.160 nan 8.150 nan 0.000 0.418 177 S N 1.143 116.818 115.700 -0.042 0.000 2.423 177 S HA 0.258 4.743 4.470 0.025 0.000 0.231 177 S C 1.554 176.071 174.600 -0.138 0.000 1.014 177 S CA 1.563 59.692 58.200 -0.118 0.000 0.965 177 S CB -0.188 62.923 63.200 -0.148 0.000 0.785 177 S HN 2.719 nan 8.310 nan 0.000 0.495 178 G N 0.654 109.364 108.800 -0.150 0.000 2.234 178 G HA2 0.182 4.157 3.960 0.025 0.000 0.235 178 G HA3 0.182 4.157 3.960 0.025 0.000 0.235 178 G C 1.206 175.928 174.900 -0.298 0.000 0.997 178 G CA 0.296 45.259 45.100 -0.229 0.000 0.623 178 G HN 1.913 nan 8.290 nan 0.000 0.514 179 G N 0.052 108.706 108.800 -0.242 0.000 2.741 179 G HA2 0.150 4.125 3.960 0.025 0.000 0.222 179 G HA3 0.150 4.125 3.960 0.025 0.000 0.222 179 G C -0.694 173.967 174.900 -0.397 0.000 1.364 179 G CA 0.475 45.399 45.100 -0.295 0.000 0.866 179 G HN 0.949 nan 8.290 nan 0.000 0.555 180 P HA 0.084 nan 4.420 nan 0.000 0.225 180 P C 1.150 177.918 177.300 -0.887 0.000 1.156 180 P CA 1.283 63.929 63.100 -0.757 0.000 0.787 180 P CB -0.059 31.027 31.700 -1.023 0.000 0.802 181 F N -0.065 119.533 119.950 -0.587 0.000 2.660 181 F HA 0.254 4.796 4.527 0.025 0.000 0.297 181 F C 1.348 176.979 175.800 -0.282 0.000 1.132 181 F CA -1.015 56.412 58.000 -0.956 0.000 1.372 181 F CB -0.233 38.337 39.000 -0.718 0.000 1.003 181 F HN -0.255 nan 8.300 nan 0.000 0.524 182 R N 1.471 121.920 120.500 -0.085 0.000 2.458 182 R HA 0.250 4.605 4.340 0.025 0.000 0.303 182 R C 1.077 177.548 176.300 0.285 0.000 1.013 182 R CA 1.040 57.170 56.100 0.050 0.000 1.026 182 R CB -0.003 30.267 30.300 -0.050 0.000 0.948 182 R HN 0.547 nan 8.270 nan 0.000 0.417 183 G N 3.625 112.651 108.800 0.376 0.000 2.137 183 G HA2 -0.228 3.747 3.960 0.025 0.000 0.237 183 G HA3 -0.228 3.747 3.960 0.025 0.000 0.237 183 G C -0.801 174.402 174.900 0.505 0.000 1.002 183 G CA -0.011 45.318 45.100 0.382 0.000 0.702 183 G HN 0.570 nan 8.290 nan 0.000 0.515 184 W N 1.543 122.991 121.300 0.248 0.000 2.449 184 W HA 0.691 5.367 4.660 0.026 0.000 0.331 184 W C 1.086 177.657 176.519 0.087 0.000 1.119 184 W CA -0.602 56.840 57.345 0.162 0.000 1.240 184 W CB 1.206 30.778 29.460 0.187 0.000 1.251 184 W HN 0.538 nan 8.180 nan 0.000 0.576 185 S N 1.164 116.979 115.700 0.191 0.000 2.593 185 S HA 0.451 4.936 4.470 0.025 0.000 0.269 185 S C 1.130 175.760 174.600 0.050 0.000 1.334 185 S CA -0.056 58.196 58.200 0.086 0.000 1.015 185 S CB 1.323 64.540 63.200 0.029 0.000 0.912 185 S HN 0.659 nan 8.310 nan 0.000 0.541 186 A N 2.266 125.079 122.820 -0.011 0.000 1.948 186 A HA 0.054 4.389 4.320 0.025 0.000 0.220 186 A C 2.432 180.004 177.584 -0.019 0.000 1.177 186 A CA 2.053 54.059 52.037 -0.051 0.000 0.636 186 A CB -1.747 17.219 19.000 -0.056 0.000 0.815 186 A HN 1.421 nan 8.150 nan 0.000 0.449 187 A N 0.044 122.863 122.820 -0.000 0.000 1.908 187 A HA -0.221 4.114 4.320 0.025 0.000 0.218 187 A C 1.777 179.385 177.584 0.040 0.000 1.181 187 A CA 1.916 53.962 52.037 0.014 0.000 0.627 187 A CB -0.645 18.363 19.000 0.014 0.000 0.818 187 A HN 0.487 nan 8.150 nan 0.000 0.445 188 D N 0.182 120.604 120.400 0.037 0.000 2.149 188 D HA -0.131 4.524 4.640 0.025 0.000 0.198 188 D C 1.807 178.200 176.300 0.155 0.000 0.990 188 D CA 1.038 55.072 54.000 0.056 0.000 0.839 188 D CB -0.343 40.445 40.800 -0.020 0.000 0.948 188 D HN 0.470 nan 8.370 nan 0.000 0.460 189 L N 0.449 121.730 121.223 0.097 0.000 2.376 189 L HA -0.093 4.262 4.340 0.025 0.000 0.219 189 L C 2.138 178.988 176.870 -0.033 0.000 1.133 189 L CA 0.549 55.372 54.840 -0.029 0.000 0.816 189 L CB -0.212 41.839 42.059 -0.013 0.000 0.933 189 L HN -0.082 nan 8.230 nan 0.000 0.449 190 E N -0.396 119.773 120.200 -0.051 0.000 2.204 190 E HA -0.128 4.237 4.350 0.025 0.000 0.194 190 E C 1.054 177.452 176.600 -0.336 0.000 0.989 190 E CA 0.909 57.189 56.400 -0.199 0.000 0.824 190 E CB 0.195 29.725 29.700 -0.283 0.000 0.756 190 E HN 0.420 nan 8.360 nan 0.000 0.477 191 H N -0.856 118.236 119.070 0.037 0.000 2.481 191 H HA 0.254 4.825 4.556 0.025 0.000 0.273 191 H C -0.750 174.608 175.328 0.051 0.000 1.145 191 H CA -0.291 55.786 56.048 0.048 0.000 0.964 191 H CB 0.068 29.850 29.762 0.032 0.000 1.722 191 H HN -0.086 nan 8.280 nan 0.000 0.573 192 V N 2.725 122.674 119.914 0.058 0.000 2.546 192 V HA 0.117 4.252 4.120 0.025 0.000 0.284 192 V C 0.844 177.051 176.094 0.188 0.000 1.050 192 V CA -0.242 62.025 62.300 -0.054 0.000 0.981 192 V CB 1.623 33.030 31.823 -0.693 0.000 0.990 192 V HN 0.523 nan 8.190 nan 0.000 0.474 193 T N 3.077 117.746 114.554 0.192 0.000 2.945 193 T HA 0.430 4.795 4.350 0.025 0.000 0.286 193 T C -1.910 172.926 174.700 0.227 0.000 1.025 193 T CA -2.097 60.105 62.100 0.171 0.000 1.039 193 T CB 1.769 70.686 68.868 0.083 0.000 1.068 193 T HN 0.362 nan 8.240 nan 0.000 0.497 194 P HA -0.234 nan 4.420 nan 0.000 0.218 194 P C 1.597 178.955 177.300 0.096 0.000 1.154 194 P CA 1.421 64.497 63.100 -0.040 0.000 0.872 194 P CB 0.095 31.644 31.700 -0.251 0.000 0.790 195 E N -0.304 119.924 120.200 0.048 0.000 2.299 195 E HA -0.154 4.211 4.350 0.025 0.000 0.193 195 E C 1.795 178.414 176.600 0.031 0.000 0.998 195 E CA 0.853 57.270 56.400 0.029 0.000 0.851 195 E CB -0.702 29.001 29.700 0.005 0.000 0.795 195 E HN 0.342 nan 8.360 nan 0.000 0.492 196 Q N 0.674 120.532 119.800 0.096 0.000 2.046 196 Q HA -0.046 4.309 4.340 0.025 0.000 0.200 196 Q C 2.290 178.319 176.000 0.049 0.000 0.975 196 Q CA 1.849 57.725 55.803 0.122 0.000 0.836 196 Q CB -0.171 28.723 28.738 0.260 0.000 0.896 196 Q HN 0.445 nan 8.270 nan 0.000 0.428 197 A N 0.610 123.553 122.820 0.204 0.000 1.902 197 A HA -0.063 4.273 4.320 0.025 0.000 0.217 197 A C 1.731 179.270 177.584 -0.074 0.000 1.181 197 A CA 1.443 53.529 52.037 0.083 0.000 0.623 197 A CB -0.640 18.589 19.000 0.381 0.000 0.818 197 A HN 0.398 nan 8.150 nan 0.000 0.443 198 G N -1.034 107.764 108.800 -0.005 0.000 3.717 198 G HA2 0.480 4.455 3.960 0.025 0.000 0.258 198 G HA3 0.480 4.455 3.960 0.025 0.000 0.258 198 G C 0.647 175.470 174.900 -0.129 0.000 1.088 198 G CA 0.656 45.730 45.100 -0.043 0.000 1.737 198 G HN 0.605 nan 8.290 nan 0.000 0.648 199 A N 0.911 123.587 122.820 -0.241 0.000 2.353 199 A HA 0.265 4.601 4.320 0.025 0.000 0.218 199 A C 0.827 178.132 177.584 -0.464 0.000 1.760 199 A CA 0.300 52.081 52.037 -0.428 0.000 0.638 199 A CB 0.050 18.730 19.000 -0.533 0.000 1.280 199 A HN 0.427 nan 8.150 nan 0.000 0.511 200 H N 1.017 120.013 119.070 -0.124 0.000 2.572 200 H HA 0.375 4.946 4.556 0.025 0.000 0.248 200 H C -2.428 172.815 175.328 -0.141 0.000 1.397 200 H CA -1.974 54.004 56.048 -0.116 0.000 1.319 200 H CB -0.495 29.197 29.762 -0.117 0.000 1.452 200 H HN 0.384 nan 8.280 nan 0.000 0.535 201 P HA 0.132 nan 4.420 nan 0.000 0.280 201 P C 0.840 178.046 177.300 -0.156 0.000 1.244 201 P CA -0.356 62.697 63.100 -0.078 0.000 0.784 201 P CB 1.687 33.372 31.700 -0.025 0.000 0.913 202 T N 0.621 114.990 114.554 -0.307 0.000 2.746 202 T HA -0.067 4.299 4.350 0.025 0.000 0.267 202 T C 0.388 174.662 174.700 -0.709 0.000 1.039 202 T CA 1.304 63.017 62.100 -0.644 0.000 1.142 202 T CB -0.300 67.959 68.868 -1.016 0.000 0.866 202 T HN 0.503 nan 8.240 nan 0.000 0.444 203 W N 0.204 121.490 121.300 -0.024 0.000 2.671 203 W HA 0.635 5.312 4.660 0.028 0.000 0.360 203 W C -0.218 176.289 176.519 -0.020 0.000 1.128 203 W CA -0.984 56.346 57.345 -0.024 0.000 1.184 203 W CB 0.957 30.399 29.460 -0.030 0.000 1.415 203 W HN -0.338 nan 8.180 nan 0.000 0.604 204 S N 1.582 117.419 115.700 0.228 0.000 2.080 204 S HA 0.312 4.797 4.470 0.025 0.000 0.162 204 S C -0.022 174.632 174.600 0.090 0.000 1.618 204 S CA -0.528 57.741 58.200 0.116 0.000 1.200 204 S CB -0.312 62.932 63.200 0.073 0.000 1.135 204 S HN 0.453 nan 8.310 nan 0.000 0.455 205 M N 1.562 121.218 119.600 0.094 0.000 2.504 205 M HA 0.335 4.830 4.480 0.025 0.000 0.370 205 M C 0.645 176.971 176.300 0.043 0.000 1.110 205 M CA -0.206 55.125 55.300 0.051 0.000 0.938 205 M CB 0.984 33.604 32.600 0.034 0.000 1.460 205 M HN 0.665 nan 8.290 nan 0.000 0.535 206 G N 0.832 109.661 108.800 0.049 0.000 2.555 206 G HA2 -0.117 3.858 3.960 0.025 0.000 0.686 206 G HA3 -0.117 3.858 3.960 0.025 0.000 0.686 206 G C -2.860 172.072 174.900 0.052 0.000 1.275 206 G CA -1.227 43.901 45.100 0.047 0.000 0.871 206 G HN 0.068 nan 8.290 nan 0.000 0.603 207 P HA -0.075 nan 4.420 nan 0.000 0.215 207 P C 2.396 179.743 177.300 0.077 0.000 1.157 207 P CA 1.860 64.996 63.100 0.060 0.000 0.868 207 P CB 0.040 31.772 31.700 0.054 0.000 0.788 208 M N -0.972 118.670 119.600 0.068 0.000 2.108 208 M HA -0.174 4.321 4.480 0.025 0.000 0.261 208 M C 2.035 178.377 176.300 0.069 0.000 1.066 208 M CA 1.563 56.906 55.300 0.070 0.000 1.107 208 M CB -1.800 30.830 32.600 0.050 0.000 1.356 208 M HN 0.090 nan 8.290 nan 0.000 0.406 209 N N -0.458 118.279 118.700 0.062 0.000 2.142 209 N HA -0.119 4.636 4.740 0.025 0.000 0.186 209 N C 1.328 176.890 175.510 0.085 0.000 1.023 209 N CA 1.790 54.879 53.050 0.065 0.000 0.852 209 N CB 0.218 38.740 38.487 0.058 0.000 0.998 209 N HN 0.305 nan 8.380 nan 0.000 0.424 210 T N 1.758 116.361 114.554 0.082 0.000 2.821 210 T HA -0.113 4.252 4.350 0.025 0.000 0.267 210 T C 1.869 176.612 174.700 0.072 0.000 1.046 210 T CA 0.486 62.627 62.100 0.068 0.000 1.139 210 T CB -0.221 68.672 68.868 0.041 0.000 0.871 210 T HN 0.130 nan 8.240 nan 0.000 0.454 211 L N 2.213 123.500 121.223 0.107 0.000 2.046 211 L HA -0.029 4.326 4.340 0.025 0.000 0.208 211 L C 1.809 178.757 176.870 0.130 0.000 1.077 211 L CA 1.717 56.653 54.840 0.160 0.000 0.747 211 L CB -0.891 41.289 42.059 0.201 0.000 0.896 211 L HN 0.094 nan 8.230 nan 0.000 0.432 212 N N -0.908 117.845 118.700 0.089 0.000 2.309 212 N HA -0.109 4.646 4.740 0.025 0.000 0.182 212 N C 1.881 177.436 175.510 0.075 0.000 1.018 212 N CA 1.255 54.345 53.050 0.066 0.000 0.876 212 N CB -0.210 38.309 38.487 0.054 0.000 0.972 212 N HN 0.338 nan 8.380 nan 0.000 0.434 213 S N 0.184 115.930 115.700 0.076 0.000 2.406 213 S HA 0.094 4.579 4.470 0.025 0.000 0.228 213 S C 1.939 176.551 174.600 0.021 0.000 1.020 213 S CA 0.752 58.984 58.200 0.054 0.000 0.965 213 S CB 0.040 63.277 63.200 0.062 0.000 0.798 213 S HN 0.480 nan 8.310 nan 0.000 0.488 214 A N 1.375 124.231 122.820 0.060 0.000 1.930 214 A HA 0.004 4.339 4.320 0.025 0.000 0.215 214 A C 2.183 180.006 177.584 0.398 0.000 1.176 214 A CA 1.510 53.608 52.037 0.101 0.000 0.632 214 A CB -0.569 18.477 19.000 0.076 0.000 0.819 214 A HN 0.569 nan 8.150 nan 0.000 0.445 215 S N -1.627 114.272 115.700 0.332 0.000 2.558 215 S HA 0.234 4.720 4.470 0.025 0.000 0.217 215 S C 0.778 175.474 174.600 0.161 0.000 0.975 215 S CA 0.698 59.015 58.200 0.195 0.000 0.912 215 S CB -0.246 62.869 63.200 -0.141 0.000 0.776 215 S HN 0.668 nan 8.310 nan 0.000 0.526 216 L N -0.578 120.710 121.223 0.109 0.000 4.937 216 L HA -0.206 4.149 4.340 0.025 0.000 0.422 216 L C 1.413 178.344 176.870 0.102 0.000 1.059 216 L CA 0.578 55.460 54.840 0.071 0.000 1.111 216 L CB -2.004 40.084 42.059 0.048 0.000 2.033 216 L HN 0.258 nan 8.230 nan 0.000 0.708 217 V N -0.649 119.320 119.914 0.091 0.000 2.490 217 V HA -0.283 3.852 4.120 0.025 0.000 0.250 217 V C 2.204 178.387 176.094 0.149 0.000 1.061 217 V CA 2.417 64.793 62.300 0.126 0.000 1.064 217 V CB -0.436 31.394 31.823 0.012 0.000 0.670 217 V HN 0.702 nan 8.190 nan 0.000 0.461 218 N N 0.486 119.245 118.700 0.098 0.000 2.104 218 N HA -0.213 4.542 4.740 0.025 0.000 0.190 218 N C 1.742 177.304 175.510 0.087 0.000 1.024 218 N CA 1.508 54.610 53.050 0.087 0.000 0.853 218 N CB -0.177 38.352 38.487 0.070 0.000 1.008 218 N HN 0.216 nan 8.380 nan 0.000 0.424 219 K N -0.076 120.373 120.400 0.082 0.000 2.097 219 K HA 0.105 4.440 4.320 0.025 0.000 0.205 219 K C 1.860 178.516 176.600 0.092 0.000 1.050 219 K CA 1.298 57.629 56.287 0.073 0.000 0.938 219 K CB -1.025 31.509 32.500 0.058 0.000 0.718 219 K HN 0.292 nan 8.250 nan 0.000 0.442 220 G N 0.734 109.607 108.800 0.120 0.000 2.446 220 G HA2 -0.237 3.739 3.960 0.025 0.000 0.217 220 G HA3 -0.237 3.739 3.960 0.025 0.000 0.217 220 G C 1.488 176.420 174.900 0.054 0.000 1.168 220 G CA 1.100 46.257 45.100 0.096 0.000 0.771 220 G HN 0.296 nan 8.290 nan 0.000 0.551 221 L N 0.088 121.396 121.223 0.142 0.000 2.083 221 L HA -0.066 4.289 4.340 0.025 0.000 0.209 221 L C 2.844 179.792 176.870 0.130 0.000 1.083 221 L CA 1.319 56.234 54.840 0.126 0.000 0.752 221 L CB -0.433 41.720 42.059 0.156 0.000 0.899 221 L HN 0.283 nan 8.230 nan 0.000 0.433 222 E N -0.360 119.924 120.200 0.139 0.000 2.106 222 E HA -0.157 4.208 4.350 0.025 0.000 0.192 222 E C 2.325 179.089 176.600 0.272 0.000 0.984 222 E CA 0.984 57.511 56.400 0.211 0.000 0.806 222 E CB -0.013 29.704 29.700 0.029 0.000 0.750 222 E HN 0.254 nan 8.360 nan 0.000 0.458 223 V N 1.437 121.455 119.914 0.173 0.000 2.295 223 V HA -0.278 3.857 4.120 0.025 0.000 0.246 223 V C 2.220 178.449 176.094 0.225 0.000 1.049 223 V CA 1.604 64.015 62.300 0.185 0.000 1.024 223 V CB -0.363 31.558 31.823 0.163 0.000 0.648 223 V HN 0.259 nan 8.190 nan 0.000 0.447 224 I N -0.197 120.504 120.570 0.218 0.000 2.163 224 I HA -0.276 3.909 4.170 0.025 0.000 0.243 224 I C 2.534 178.730 176.117 0.131 0.000 1.085 224 I CA 1.807 63.256 61.300 0.247 0.000 1.347 224 I CB -0.409 37.651 38.000 0.100 0.000 1.044 224 I HN 0.379 nan 8.210 nan 0.000 0.408 225 E N -0.007 120.239 120.200 0.077 0.000 2.150 225 E HA -0.169 4.196 4.350 0.025 0.000 0.193 225 E C 2.135 178.617 176.600 -0.195 0.000 0.985 225 E CA 1.657 58.000 56.400 -0.094 0.000 0.814 225 E CB -0.124 29.486 29.700 -0.151 0.000 0.752 225 E HN 0.478 nan 8.360 nan 0.000 0.466 226 T N 0.004 114.577 114.554 0.031 0.000 2.684 226 T HA -0.222 4.143 4.350 0.025 0.000 0.267 226 T C 1.706 176.433 174.700 0.045 0.000 1.036 226 T CA 1.791 63.986 62.100 0.159 0.000 1.148 226 T CB -0.417 68.615 68.868 0.274 0.000 0.863 226 T HN 0.321 nan 8.240 nan 0.000 0.436 227 H N 1.000 119.959 119.070 -0.185 0.000 2.319 227 H HA 0.011 4.583 4.556 0.026 0.000 0.299 227 H C 1.983 177.171 175.328 -0.234 0.000 1.092 227 H CA 1.509 57.344 56.048 -0.355 0.000 1.302 227 H CB -0.511 28.732 29.762 -0.865 0.000 1.373 227 H HN 0.271 nan 8.280 nan 0.000 0.497 228 L N -0.670 120.386 121.223 -0.278 0.000 2.095 228 L HA -0.083 4.272 4.340 0.025 0.000 0.204 228 L C 2.562 179.210 176.870 -0.370 0.000 1.080 228 L CA 0.746 55.401 54.840 -0.307 0.000 0.759 228 L CB -0.295 41.668 42.059 -0.160 0.000 0.914 228 L HN 0.276 nan 8.230 nan 0.000 0.439 229 L N -1.287 119.651 121.223 -0.475 0.000 2.056 229 L HA -0.157 4.198 4.340 0.025 0.000 0.207 229 L C 1.800 178.209 176.870 -0.768 0.000 1.078 229 L CA 1.543 55.931 54.840 -0.753 0.000 0.749 229 L CB -0.178 41.144 42.059 -1.229 0.000 0.901 229 L HN 0.169 nan 8.230 nan 0.000 0.433 230 F N -1.237 118.587 119.950 -0.209 0.000 2.678 230 F HA 0.317 4.858 4.527 0.024 0.000 0.305 230 F C 1.587 177.281 175.800 -0.176 0.000 1.090 230 F CA 0.221 58.123 58.000 -0.162 0.000 1.272 230 F CB 0.251 39.178 39.000 -0.123 0.000 1.060 230 F HN 0.073 nan 8.300 nan 0.000 0.576 231 G N 1.829 110.537 108.800 -0.153 0.000 2.283 231 G HA2 -0.277 3.698 3.960 0.025 0.000 0.280 231 G HA3 -0.277 3.698 3.960 0.025 0.000 0.280 231 G C -0.011 174.811 174.900 -0.131 0.000 1.029 231 G CA -0.109 44.860 45.100 -0.219 0.000 0.840 231 G HN 0.179 nan 8.290 nan 0.000 0.505 232 I N 0.452 120.969 120.570 -0.087 0.000 2.392 232 I HA 0.343 4.528 4.170 0.025 0.000 0.295 232 I C -1.815 174.338 176.117 0.060 0.000 0.985 232 I CA -3.197 58.094 61.300 -0.014 0.000 1.221 232 I CB 1.158 39.152 38.000 -0.010 0.000 1.366 232 I HN -0.153 nan 8.210 nan 0.000 0.467 233 P HA 0.091 nan 4.420 nan 0.000 0.269 233 P C 0.401 177.705 177.300 0.006 0.000 1.215 233 P CA 0.078 63.237 63.100 0.097 0.000 0.780 233 P CB 0.413 32.159 31.700 0.078 0.000 0.898 234 Y N 1.044 121.326 120.300 -0.030 0.000 2.256 234 Y HA -0.243 4.323 4.550 0.026 0.000 0.288 234 Y C 2.071 177.959 175.900 -0.020 0.000 1.155 234 Y CA 1.818 59.882 58.100 -0.061 0.000 1.203 234 Y CB -0.654 37.713 38.460 -0.155 0.000 0.980 234 Y HN 0.427 nan 8.280 nan 0.000 0.530 235 D N -0.203 120.271 120.400 0.123 0.000 2.363 235 D HA -0.098 4.557 4.640 0.025 0.000 0.226 235 D C 1.127 177.453 176.300 0.043 0.000 1.020 235 D CA 0.637 54.681 54.000 0.073 0.000 0.892 235 D CB -0.316 40.516 40.800 0.054 0.000 0.900 235 D HN 0.290 nan 8.370 nan 0.000 0.531 236 R N -0.123 120.397 120.500 0.033 0.000 2.509 236 R HA 0.367 4.722 4.340 0.025 0.000 0.300 236 R C -0.016 176.280 176.300 -0.007 0.000 0.985 236 R CA -0.236 55.866 56.100 0.004 0.000 1.092 236 R CB 0.843 31.138 30.300 -0.008 0.000 1.237 236 R HN 0.194 nan 8.270 nan 0.000 0.546 237 I N 1.690 122.272 120.570 0.019 0.000 2.359 237 I HA 0.205 4.390 4.170 0.025 0.000 0.284 237 I C -0.700 175.440 176.117 0.039 0.000 1.018 237 I CA -0.709 60.605 61.300 0.023 0.000 1.173 237 I CB 1.381 39.404 38.000 0.039 0.000 1.326 237 I HN -0.183 nan 8.210 nan 0.000 0.462 238 D N 5.425 125.835 120.400 0.017 0.000 2.277 238 D HA 0.515 5.170 4.640 0.025 0.000 0.250 238 D C -0.418 175.901 176.300 0.032 0.000 1.032 238 D CA -0.226 53.788 54.000 0.022 0.000 0.947 238 D CB 2.515 43.315 40.800 0.001 0.000 1.159 238 D HN 0.042 nan 8.370 nan 0.000 0.460 239 V N 1.331 121.271 119.914 0.043 0.000 2.540 239 V HA 0.445 4.580 4.120 0.025 0.000 0.302 239 V C -0.312 175.816 176.094 0.057 0.000 1.035 239 V CA -0.827 61.504 62.300 0.051 0.000 0.873 239 V CB 2.073 33.930 31.823 0.057 0.000 0.992 239 V HN 0.288 nan 8.190 nan 0.000 0.428 240 V N 5.779 125.737 119.914 0.073 0.000 2.680 240 V HA 0.616 4.751 4.120 0.025 0.000 0.309 240 V C -0.390 175.781 176.094 0.129 0.000 1.052 240 V CA -0.426 61.940 62.300 0.109 0.000 0.908 240 V CB 2.477 34.382 31.823 0.137 0.000 1.001 240 V HN 0.638 nan 8.190 nan 0.000 0.431 241 V N 5.874 125.861 119.914 0.122 0.000 2.530 241 V HA 0.356 4.491 4.120 0.025 0.000 0.282 241 V C -0.401 175.780 176.094 0.144 0.000 1.048 241 V CA -0.150 62.203 62.300 0.089 0.000 0.997 241 V CB 0.958 32.799 31.823 0.031 0.000 0.987 241 V HN 1.007 nan 8.190 nan 0.000 0.477 242 H N 6.815 125.858 119.070 -0.045 0.000 3.108 242 H HA 0.415 4.986 4.556 0.025 0.000 0.301 242 H C -2.508 172.717 175.328 -0.172 0.000 1.139 242 H CA -1.746 54.208 56.048 -0.157 0.000 1.552 242 H CB 2.187 31.845 29.762 -0.173 0.000 1.663 242 H HN 0.302 nan 8.280 nan 0.000 0.517 243 P HA -0.145 nan 4.420 nan 0.000 0.218 243 P C 0.995 178.012 177.300 -0.471 0.000 1.148 243 P CA 1.099 63.994 63.100 -0.342 0.000 0.822 243 P CB 0.468 32.040 31.700 -0.213 0.000 0.784 244 Q N -1.113 118.243 119.800 -0.739 0.000 2.369 244 Q HA 0.058 4.413 4.340 0.025 0.000 0.206 244 Q C 0.840 176.513 176.000 -0.546 0.000 0.963 244 Q CA 0.620 56.086 55.803 -0.562 0.000 0.894 244 Q CB -0.871 27.626 28.738 -0.402 0.000 0.965 244 Q HN 0.002 nan 8.270 nan 0.000 0.475 245 S N -0.739 114.540 115.700 -0.701 0.000 3.614 245 S HA -0.204 4.281 4.470 0.025 0.000 0.360 245 S C 0.684 175.101 174.600 -0.304 0.000 1.023 245 S CA 0.630 58.637 58.200 -0.321 0.000 1.114 245 S CB -1.645 61.391 63.200 -0.272 0.000 0.907 245 S HN 0.427 nan 8.310 nan 0.000 0.470 246 I N -0.410 119.969 120.570 -0.317 0.000 2.729 246 I HA 0.176 4.361 4.170 0.025 0.000 0.256 246 I C 1.016 176.618 176.117 -0.857 0.000 1.115 246 I CA 0.477 61.472 61.300 -0.508 0.000 1.446 246 I CB 0.088 37.770 38.000 -0.530 0.000 1.176 246 I HN 0.293 nan 8.210 nan 0.000 0.446 247 I N 2.055 122.158 120.570 -0.778 0.000 2.517 247 I HA -0.055 4.130 4.170 0.025 0.000 0.285 247 I C 1.147 176.960 176.117 -0.506 0.000 1.106 247 I CA 0.243 61.119 61.300 -0.707 0.000 1.402 247 I CB 0.513 38.100 38.000 -0.690 0.000 1.399 247 I HN 0.251 nan 8.210 nan 0.000 0.535 248 H N 3.678 122.713 119.070 -0.059 0.000 2.592 248 H HA 0.367 4.938 4.556 0.026 0.000 0.265 248 H C 0.195 175.523 175.328 -0.000 0.000 0.955 248 H CA 0.093 56.151 56.048 0.017 0.000 1.175 248 H CB 0.873 30.666 29.762 0.053 0.000 1.433 248 H HN 0.590 nan 8.280 nan 0.000 0.537 249 S N -0.535 115.192 115.700 0.044 0.000 2.707 249 S HA 0.389 4.874 4.470 0.025 0.000 0.270 249 S C -1.297 173.287 174.600 -0.026 0.000 1.031 249 S CA -0.784 57.419 58.200 0.005 0.000 0.866 249 S CB 1.509 64.712 63.200 0.004 0.000 1.114 249 S HN 0.087 nan 8.310 nan 0.000 0.465 250 M N 1.270 120.837 119.600 -0.056 0.000 2.575 250 M HA 0.665 5.160 4.480 0.025 0.000 0.284 250 M C -1.616 174.603 176.300 -0.136 0.000 1.253 250 M CA -0.803 54.452 55.300 -0.074 0.000 0.861 250 M CB 2.230 34.782 32.600 -0.079 0.000 1.733 250 M HN 0.347 nan 8.290 nan 0.000 0.462 251 V N 0.724 120.533 119.914 -0.175 0.000 2.531 251 V HA 0.513 4.648 4.120 0.025 0.000 0.301 251 V C -0.580 175.268 176.094 -0.410 0.000 1.034 251 V CA -0.540 61.538 62.300 -0.370 0.000 0.865 251 V CB 2.169 33.656 31.823 -0.561 0.000 0.995 251 V HN 0.894 nan 8.190 nan 0.000 0.424 252 T N 5.630 119.949 114.554 -0.391 0.000 2.767 252 T HA 0.656 5.022 4.350 0.025 0.000 0.284 252 T C -0.491 173.995 174.700 -0.356 0.000 0.973 252 T CA 0.016 61.964 62.100 -0.253 0.000 0.996 252 T CB 0.538 69.329 68.868 -0.128 0.000 0.927 252 T HN 0.285 nan 8.240 nan 0.000 0.456 253 F N 1.582 121.516 119.950 -0.026 0.000 2.457 253 F HA 0.431 4.972 4.527 0.024 0.000 0.330 253 F C 1.891 177.681 175.800 -0.016 0.000 1.069 253 F CA -1.243 56.745 58.000 -0.020 0.000 1.009 253 F CB 0.696 39.686 39.000 -0.017 0.000 1.276 253 F HN 0.544 nan 8.300 nan 0.000 0.492 254 I N -1.566 119.122 120.570 0.197 0.000 2.614 254 I HA -0.138 4.047 4.170 0.025 0.000 0.258 254 I C 1.316 177.479 176.117 0.077 0.000 1.189 254 I CA 1.168 62.526 61.300 0.097 0.000 1.462 254 I CB -0.572 37.476 38.000 0.079 0.000 1.092 254 I HN 0.543 nan 8.210 nan 0.000 0.442 255 D N 1.175 121.630 120.400 0.091 0.000 2.347 255 D HA 0.100 4.755 4.640 0.025 0.000 0.213 255 D C 1.748 178.077 176.300 0.048 0.000 0.985 255 D CA 0.924 54.955 54.000 0.052 0.000 0.879 255 D CB 0.076 40.894 40.800 0.029 0.000 0.919 255 D HN 0.522 nan 8.370 nan 0.000 0.526 256 G N -0.520 108.321 108.800 0.068 0.000 2.201 256 G HA2 -0.233 3.742 3.960 0.025 0.000 0.212 256 G HA3 -0.233 3.742 3.960 0.025 0.000 0.212 256 G C 0.283 175.220 174.900 0.062 0.000 0.994 256 G CA 0.152 45.281 45.100 0.048 0.000 0.644 256 G HN 0.542 nan 8.290 nan 0.000 0.508 257 S N 0.831 116.592 115.700 0.101 0.000 2.549 257 S HA 0.585 5.070 4.470 0.025 0.000 0.279 257 S C 0.418 175.130 174.600 0.187 0.000 1.321 257 S CA 0.982 59.253 58.200 0.118 0.000 1.054 257 S CB 0.718 63.974 63.200 0.094 0.000 0.899 257 S HN 0.449 nan 8.310 nan 0.000 0.497 258 T N 5.862 120.487 114.554 0.118 0.000 2.797 258 T HA 0.519 4.884 4.350 0.025 0.000 0.279 258 T C -0.646 174.132 174.700 0.131 0.000 0.991 258 T CA -0.543 61.615 62.100 0.096 0.000 0.979 258 T CB 0.619 69.485 68.868 -0.003 0.000 0.943 258 T HN 0.440 nan 8.240 nan 0.000 0.444 259 I N 2.835 123.510 120.570 0.176 0.000 2.404 259 I HA 0.686 4.872 4.170 0.025 0.000 0.293 259 I C 0.164 176.335 176.117 0.090 0.000 0.992 259 I CA -1.018 60.382 61.300 0.166 0.000 1.149 259 I CB 1.090 39.257 38.000 0.278 0.000 1.315 259 I HN 0.705 nan 8.210 nan 0.000 0.446 260 A N 6.453 129.321 122.820 0.080 0.000 2.401 260 A HA 0.660 4.995 4.320 0.025 0.000 0.310 260 A C -0.721 176.903 177.584 0.066 0.000 1.075 260 A CA -0.586 51.481 52.037 0.049 0.000 0.746 260 A CB 2.243 21.271 19.000 0.047 0.000 1.277 260 A HN 0.652 nan 8.150 nan 0.000 0.425 261 Q N 0.852 120.679 119.800 0.046 0.000 2.282 261 Q HA 0.686 5.042 4.340 0.025 0.000 0.260 261 Q C -1.105 174.908 176.000 0.022 0.000 0.964 261 Q CA -0.431 55.419 55.803 0.078 0.000 0.880 261 Q CB 1.846 30.655 28.738 0.118 0.000 1.286 261 Q HN 1.084 nan 8.270 nan 0.000 0.445 262 A N 2.541 125.386 122.820 0.042 0.000 2.422 262 A HA 0.798 5.133 4.320 0.025 0.000 0.302 262 A C -1.254 176.375 177.584 0.074 0.000 1.041 262 A CA -0.250 51.731 52.037 -0.094 0.000 0.708 262 A CB 1.513 20.374 19.000 -0.232 0.000 1.257 262 A HN 0.830 nan 8.150 nan 0.000 0.414 263 S N 0.935 116.686 115.700 0.086 0.000 2.558 263 S HA 0.711 5.196 4.470 0.025 0.000 0.277 263 S C -3.460 171.254 174.600 0.190 0.000 1.143 263 S CA -1.232 57.070 58.200 0.170 0.000 0.865 263 S CB 1.182 64.512 63.200 0.218 0.000 1.102 263 S HN 0.352 nan 8.310 nan 0.000 0.454 264 P HA 0.257 nan 4.420 nan 0.000 0.264 264 P C -2.545 174.829 177.300 0.123 0.000 1.183 264 P CA -0.478 62.659 63.100 0.063 0.000 0.763 264 P CB -0.635 31.080 31.700 0.025 0.000 0.807 265 P HA 0.026 nan 4.420 nan 0.000 0.260 265 P C -0.638 176.745 177.300 0.137 0.000 1.185 265 P CA 1.100 64.242 63.100 0.070 0.000 0.763 265 P CB 0.152 31.637 31.700 -0.359 0.000 0.776 266 D N 3.945 124.499 120.400 0.256 0.000 2.484 266 D HA 0.074 4.729 4.640 0.025 0.000 0.206 266 D C 0.634 177.019 176.300 0.141 0.000 1.322 266 D CA -0.328 53.781 54.000 0.182 0.000 0.913 266 D CB 0.798 41.656 40.800 0.098 0.000 1.559 266 D HN -0.032 nan 8.370 nan 0.000 0.565 267 M N 2.402 122.075 119.600 0.122 0.000 2.549 267 M HA -0.013 4.482 4.480 0.025 0.000 0.260 267 M C 1.517 177.799 176.300 -0.029 0.000 1.076 267 M CA 0.873 56.156 55.300 -0.027 0.000 1.090 267 M CB -0.433 32.112 32.600 -0.091 0.000 1.418 267 M HN 0.407 nan 8.290 nan 0.000 0.486 268 K N -0.086 120.319 120.400 0.009 0.000 2.209 268 K HA -0.163 4.172 4.320 0.025 0.000 0.204 268 K C 1.873 178.479 176.600 0.011 0.000 1.048 268 K CA 0.812 57.101 56.287 0.003 0.000 0.940 268 K CB -0.228 32.284 32.500 0.020 0.000 0.729 268 K HN 0.173 nan 8.250 nan 0.000 0.451 269 L N 2.064 123.300 121.223 0.021 0.000 1.973 269 L HA -0.090 4.265 4.340 0.025 0.000 0.208 269 L C -1.253 175.633 176.870 0.028 0.000 1.073 269 L CA 1.796 56.657 54.840 0.035 0.000 0.746 269 L CB -1.049 41.037 42.059 0.045 0.000 0.891 269 L HN 0.025 nan 8.230 nan 0.000 0.433 270 P HA -0.157 nan 4.420 nan 0.000 0.218 270 P C 2.155 179.447 177.300 -0.013 0.000 1.149 270 P CA 1.720 64.814 63.100 -0.010 0.000 0.817 270 P CB -0.066 31.585 31.700 -0.081 0.000 0.785 271 I N 0.990 121.532 120.570 -0.046 0.000 2.163 271 I HA -0.273 3.912 4.170 0.025 0.000 0.243 271 I C 2.797 178.878 176.117 -0.059 0.000 1.085 271 I CA 2.203 63.462 61.300 -0.069 0.000 1.347 271 I CB -0.862 37.086 38.000 -0.088 0.000 1.044 271 I HN 0.081 nan 8.210 nan 0.000 0.408 272 S N 0.985 116.674 115.700 -0.019 0.000 2.368 272 S HA -0.198 4.287 4.470 0.025 0.000 0.225 272 S C 2.024 176.694 174.600 0.115 0.000 1.030 272 S CA 0.986 59.199 58.200 0.022 0.000 0.999 272 S CB -0.827 62.423 63.200 0.083 0.000 0.844 272 S HN 0.329 nan 8.310 nan 0.000 0.459 273 L N 2.080 123.388 121.223 0.142 0.000 2.083 273 L HA 0.201 4.556 4.340 0.025 0.000 0.209 273 L C 2.736 179.800 176.870 0.324 0.000 1.083 273 L CA 1.601 56.590 54.840 0.249 0.000 0.752 273 L CB -1.289 40.938 42.059 0.280 0.000 0.899 273 L HN 0.404 nan 8.230 nan 0.000 0.433 274 A N -0.799 122.125 122.820 0.172 0.000 1.898 274 A HA -0.134 4.201 4.320 0.025 0.000 0.216 274 A C 2.239 179.881 177.584 0.097 0.000 1.181 274 A CA 1.731 53.828 52.037 0.100 0.000 0.620 274 A CB -0.749 18.241 19.000 -0.017 0.000 0.819 274 A HN 0.466 nan 8.150 nan 0.000 0.442 275 L N -1.038 120.195 121.223 0.016 0.000 2.046 275 L HA -0.107 4.248 4.340 0.025 0.000 0.208 275 L C 2.507 179.542 176.870 0.275 0.000 1.077 275 L CA 1.284 56.097 54.840 -0.044 0.000 0.747 275 L CB -0.543 41.175 42.059 -0.569 0.000 0.896 275 L HN 0.507 nan 8.230 nan 0.000 0.432 276 G N -2.226 106.809 108.800 0.392 0.000 3.088 276 G HA2 -0.107 3.868 3.960 0.025 0.000 0.217 276 G HA3 -0.107 3.868 3.960 0.025 0.000 0.217 276 G C 0.382 175.448 174.900 0.276 0.000 1.159 276 G CA -0.538 44.821 45.100 0.432 0.000 0.760 276 G HN 0.201 nan 8.290 nan 0.000 0.550 277 W N 2.564 123.929 121.300 0.108 0.000 2.484 277 W HA 0.028 4.692 4.660 0.008 0.000 0.337 277 W C -1.526 175.028 176.519 0.058 0.000 1.214 277 W CA -0.772 56.616 57.345 0.071 0.000 1.296 277 W CB 0.991 30.483 29.460 0.053 0.000 1.174 277 W HN 0.116 nan 8.180 nan 0.000 0.564 278 P HA 0.075 nan 4.420 nan 0.000 0.255 278 P C -0.068 176.919 177.300 -0.522 0.000 1.248 278 P CA 0.501 63.025 63.100 -0.960 0.000 0.807 278 P CB 0.168 31.416 31.700 -0.754 0.000 1.150 279 R N 1.119 121.494 120.500 -0.209 0.000 2.234 279 R HA 0.306 4.662 4.340 0.025 0.000 0.324 279 R C 0.655 176.927 176.300 -0.047 0.000 1.054 279 R CA -0.462 55.568 56.100 -0.118 0.000 0.912 279 R CB 1.025 31.287 30.300 -0.065 0.000 1.030 279 R HN 0.106 nan 8.270 nan 0.000 0.455 280 R N 1.301 121.770 120.500 -0.052 0.000 2.679 280 R HA 0.158 4.513 4.340 0.025 0.000 0.269 280 R C -0.330 175.994 176.300 0.041 0.000 1.076 280 R CA -0.231 55.874 56.100 0.008 0.000 1.160 280 R CB 0.704 31.002 30.300 -0.003 0.000 1.054 280 R HN 0.242 nan 8.270 nan 0.000 0.507 281 V N 1.834 121.797 119.914 0.081 0.000 2.313 281 V HA 0.055 4.190 4.120 0.025 0.000 0.278 281 V C 0.348 176.485 176.094 0.072 0.000 1.017 281 V CA -0.423 61.935 62.300 0.097 0.000 0.823 281 V CB 1.379 33.316 31.823 0.190 0.000 1.010 281 V HN 0.773 nan 8.190 nan 0.000 0.443 282 S N 4.055 119.783 115.700 0.046 0.000 2.563 282 S HA 0.349 4.834 4.470 0.025 0.000 0.294 282 S C 1.405 176.035 174.600 0.049 0.000 1.279 282 S CA 1.066 59.290 58.200 0.040 0.000 1.069 282 S CB 0.134 63.349 63.200 0.025 0.000 0.828 282 S HN 1.861 nan 8.310 nan 0.000 0.497 283 G N 3.182 112.010 108.800 0.048 0.000 2.162 283 G HA2 -0.277 3.698 3.960 0.025 0.000 0.260 283 G HA3 -0.277 3.698 3.960 0.025 0.000 0.260 283 G C 0.966 175.898 174.900 0.053 0.000 0.976 283 G CA 0.511 45.640 45.100 0.047 0.000 0.655 283 G HN 1.305 nan 8.290 nan 0.000 0.533 284 A N -0.739 122.118 122.820 0.062 0.000 1.908 284 A HA 0.555 4.890 4.320 0.025 0.000 0.218 284 A C 1.596 179.212 177.584 0.053 0.000 1.181 284 A CA 2.491 54.566 52.037 0.063 0.000 0.627 284 A CB -0.152 18.891 19.000 0.073 0.000 0.818 284 A HN 2.361 nan 8.150 nan 0.000 0.445 285 A N -2.700 120.152 122.820 0.054 0.000 2.594 285 A HA 0.697 5.032 4.320 0.025 0.000 0.291 285 A C -0.103 177.512 177.584 0.051 0.000 1.105 285 A CA -0.144 51.924 52.037 0.052 0.000 0.694 285 A CB 0.215 19.251 19.000 0.059 0.000 1.291 285 A HN 1.477 nan 8.150 nan 0.000 0.410 286 A N 0.188 123.035 122.820 0.045 0.000 2.445 286 A HA 0.627 4.962 4.320 0.025 0.000 0.242 286 A C 0.680 178.290 177.584 0.042 0.000 1.075 286 A CA 0.483 52.543 52.037 0.039 0.000 0.777 286 A CB -0.129 18.887 19.000 0.028 0.000 1.013 286 A HN 2.346 nan 8.150 nan 0.000 0.493 287 A N 0.876 123.718 122.820 0.036 0.000 2.264 287 A HA 0.516 4.851 4.320 0.025 0.000 0.304 287 A C 0.398 177.970 177.584 -0.019 0.000 1.100 287 A CA -0.400 51.659 52.037 0.037 0.000 0.839 287 A CB -0.023 19.010 19.000 0.054 0.000 1.121 287 A HN 1.040 nan 8.150 nan 0.000 0.496 288 C N 1.461 120.736 119.300 -0.043 0.000 2.563 288 C HA 0.202 4.677 4.460 0.025 0.000 0.411 288 C C 0.494 175.215 174.990 -0.449 0.000 1.386 288 C CA 0.342 59.214 59.018 -0.245 0.000 1.703 288 C CB -0.980 26.598 27.740 -0.271 0.000 2.596 288 C HN 0.792 nan 8.230 nan 0.000 0.605 289 D N 0.854 120.948 120.400 -0.510 0.000 2.381 289 D HA 0.367 5.022 4.640 0.025 0.000 0.235 289 D C -0.364 175.593 176.300 -0.571 0.000 1.068 289 D CA -0.530 53.224 54.000 -0.410 0.000 0.832 289 D CB 0.520 41.236 40.800 -0.140 0.000 1.101 289 D HN 0.496 nan 8.370 nan 0.000 0.515 290 F N 1.796 121.601 119.950 -0.241 0.000 2.668 290 F HA 0.202 4.744 4.527 0.024 0.000 0.297 290 F C 1.447 177.122 175.800 -0.209 0.000 1.124 290 F CA -0.287 57.587 58.000 -0.210 0.000 1.353 290 F CB 0.281 39.165 39.000 -0.193 0.000 0.992 290 F HN 0.500 nan 8.300 nan 0.000 0.524 291 H N -1.760 117.362 119.070 0.087 0.000 2.551 291 H HA 0.071 4.642 4.556 0.025 0.000 0.266 291 H C 0.948 176.296 175.328 0.033 0.000 0.964 291 H CA 0.556 56.637 56.048 0.055 0.000 1.180 291 H CB 0.468 30.250 29.762 0.032 0.000 1.408 291 H HN 0.021 nan 8.280 nan 0.000 0.563 292 T N 0.184 114.804 114.554 0.109 0.000 2.876 292 T HA 0.615 4.980 4.350 0.025 0.000 0.289 292 T C -0.488 174.236 174.700 0.039 0.000 1.014 292 T CA -0.776 61.361 62.100 0.062 0.000 0.986 292 T CB 0.940 69.833 68.868 0.042 0.000 1.021 292 T HN 0.282 nan 8.240 nan 0.000 0.458 293 A N 3.245 126.081 122.820 0.027 0.000 2.531 293 A HA 0.592 4.927 4.320 0.025 0.000 0.236 293 A C 0.568 178.152 177.584 0.001 0.000 1.062 293 A CA 0.237 52.281 52.037 0.012 0.000 0.760 293 A CB -0.348 18.654 19.000 0.004 0.000 0.995 293 A HN 1.379 nan 8.150 nan 0.000 0.501 294 S N 0.282 115.972 115.700 -0.017 0.000 2.656 294 S HA 0.823 5.308 4.470 0.025 0.000 0.273 294 S C -0.599 173.962 174.600 -0.065 0.000 1.168 294 S CA -0.025 58.163 58.200 -0.021 0.000 0.817 294 S CB 1.322 64.523 63.200 0.002 0.000 1.146 294 S HN 2.179 nan 8.310 nan 0.000 0.475 295 S N 0.117 115.806 115.700 -0.019 0.000 2.540 295 S HA 0.747 5.232 4.470 0.025 0.000 0.275 295 S C -2.071 172.626 174.600 0.161 0.000 1.123 295 S CA -0.664 57.524 58.200 -0.019 0.000 0.907 295 S CB 0.908 64.112 63.200 0.007 0.000 1.081 295 S HN 0.756 nan 8.310 nan 0.000 0.476 296 W N 2.022 123.321 121.300 -0.002 0.000 2.361 296 W HA 0.531 5.207 4.660 0.026 0.000 0.314 296 W C -0.012 176.340 176.519 -0.277 0.000 1.041 296 W CA -0.999 56.306 57.345 -0.067 0.000 1.241 296 W CB 0.589 30.028 29.460 -0.035 0.000 1.279 296 W HN 0.776 nan 8.180 nan 0.000 0.436 297 E N 1.943 122.074 120.200 -0.115 0.000 2.202 297 E HA 0.671 5.036 4.350 0.025 0.000 0.272 297 E C -1.269 175.078 176.600 -0.422 0.000 0.951 297 E CA -0.800 55.498 56.400 -0.171 0.000 0.813 297 E CB 1.798 31.471 29.700 -0.046 0.000 1.151 297 E HN 0.063 nan 8.360 nan 0.000 0.398 298 F N 1.045 121.095 119.950 0.166 0.000 2.569 298 F HA 0.334 4.876 4.527 0.024 0.000 0.312 298 F C -0.153 175.698 175.800 0.086 0.000 1.109 298 F CA -0.818 57.256 58.000 0.123 0.000 0.919 298 F CB 1.923 40.971 39.000 0.080 0.000 1.211 298 F HN 0.387 nan 8.300 nan 0.000 0.446 299 E N 2.224 122.569 120.200 0.242 0.000 2.392 299 E HA 0.525 4.890 4.350 0.025 0.000 0.279 299 E C -3.313 173.368 176.600 0.135 0.000 0.964 299 E CA -2.463 54.033 56.400 0.159 0.000 0.777 299 E CB 2.732 32.501 29.700 0.115 0.000 1.249 299 E HN 0.151 nan 8.360 nan 0.000 0.449 300 P HA 0.042 nan 4.420 nan 0.000 0.271 300 P C -0.409 176.948 177.300 0.096 0.000 1.218 300 P CA -0.549 62.608 63.100 0.095 0.000 0.780 300 P CB 0.624 32.375 31.700 0.085 0.000 0.901 301 L N 2.549 123.825 121.223 0.088 0.000 2.367 301 L HA 0.205 4.560 4.340 0.025 0.000 0.275 301 L C 0.286 177.238 176.870 0.136 0.000 1.129 301 L CA 0.216 55.111 54.840 0.093 0.000 0.839 301 L CB -0.327 41.776 42.059 0.073 0.000 1.133 301 L HN 0.226 nan 8.230 nan 0.000 0.453 302 D N 2.759 123.280 120.400 0.202 0.000 2.435 302 D HA 0.028 4.683 4.640 0.025 0.000 0.230 302 D C 1.192 177.648 176.300 0.260 0.000 1.215 302 D CA 0.494 54.634 54.000 0.233 0.000 0.947 302 D CB 0.794 41.769 40.800 0.291 0.000 1.048 302 D HN 0.785 nan 8.370 nan 0.000 0.512 303 T N -0.049 114.609 114.554 0.173 0.000 2.995 303 T HA -0.122 4.243 4.350 0.025 0.000 0.269 303 T C 1.172 175.943 174.700 0.118 0.000 1.091 303 T CA 0.555 62.748 62.100 0.154 0.000 1.128 303 T CB 0.194 69.127 68.868 0.108 0.000 0.891 303 T HN 0.130 nan 8.240 nan 0.000 0.492 304 D N 1.237 121.694 120.400 0.095 0.000 2.117 304 D HA -0.023 4.632 4.640 0.025 0.000 0.198 304 D C 2.233 178.540 176.300 0.012 0.000 0.982 304 D CA 0.879 54.909 54.000 0.052 0.000 0.828 304 D CB -0.195 40.633 40.800 0.046 0.000 0.967 304 D HN 0.355 nan 8.370 nan 0.000 0.464 305 V N -0.249 119.666 119.914 0.002 0.000 2.649 305 V HA -0.050 4.085 4.120 0.025 0.000 0.248 305 V C 0.548 176.406 176.094 -0.392 0.000 1.054 305 V CA 0.814 62.993 62.300 -0.200 0.000 1.073 305 V CB -0.152 31.533 31.823 -0.231 0.000 0.699 305 V HN 0.017 nan 8.190 nan 0.000 0.463 306 F N 0.601 120.596 119.950 0.076 0.000 2.453 306 F HA 0.410 4.952 4.527 0.026 0.000 0.358 306 F C -1.929 173.900 175.800 0.048 0.000 1.129 306 F CA -1.853 56.187 58.000 0.066 0.000 1.200 306 F CB 0.971 40.025 39.000 0.090 0.000 1.431 306 F HN 0.081 nan 8.300 nan 0.000 0.503 307 P HA -0.024 nan 4.420 nan 0.000 0.241 307 P C 1.490 178.860 177.300 0.117 0.000 1.191 307 P CA 0.530 63.691 63.100 0.102 0.000 0.771 307 P CB 0.283 32.012 31.700 0.049 0.000 0.929 308 A N -0.051 122.854 122.820 0.142 0.000 1.940 308 A HA -0.164 4.171 4.320 0.025 0.000 0.219 308 A C 2.206 179.906 177.584 0.193 0.000 1.176 308 A CA 1.878 54.018 52.037 0.170 0.000 0.631 308 A CB -1.603 17.488 19.000 0.152 0.000 0.814 308 A HN 0.087 nan 8.150 nan 0.000 0.446 309 V N -0.090 119.907 119.914 0.138 0.000 2.379 309 V HA -0.194 3.941 4.120 0.025 0.000 0.245 309 V C 2.567 178.685 176.094 0.041 0.000 1.044 309 V CA 2.235 64.588 62.300 0.087 0.000 1.036 309 V CB -0.700 31.173 31.823 0.084 0.000 0.664 309 V HN 0.733 nan 8.190 nan 0.000 0.453 310 E N 0.631 120.865 120.200 0.057 0.000 2.110 310 E HA -0.238 4.127 4.350 0.025 0.000 0.193 310 E C 1.934 178.535 176.600 0.001 0.000 0.988 310 E CA 1.396 57.811 56.400 0.025 0.000 0.804 310 E CB -0.487 29.240 29.700 0.044 0.000 0.745 310 E HN 0.394 nan 8.360 nan 0.000 0.458 311 L N 0.213 121.468 121.223 0.054 0.000 2.042 311 L HA -0.072 4.283 4.340 0.025 0.000 0.210 311 L C 2.281 179.118 176.870 -0.055 0.000 1.076 311 L CA 2.060 56.947 54.840 0.080 0.000 0.749 311 L CB -0.970 41.216 42.059 0.211 0.000 0.893 311 L HN 0.254 nan 8.230 nan 0.000 0.432 312 A N -0.549 122.143 122.820 -0.213 0.000 1.883 312 A HA -0.251 4.084 4.320 0.025 0.000 0.217 312 A C 2.389 179.686 177.584 -0.478 0.000 1.186 312 A CA 1.934 53.585 52.037 -0.643 0.000 0.624 312 A CB -0.538 18.159 19.000 -0.505 0.000 0.822 312 A HN 0.470 nan 8.150 nan 0.000 0.444 313 R N -0.584 119.708 120.500 -0.347 0.000 2.091 313 R HA -0.176 4.179 4.340 0.025 0.000 0.238 313 R C 2.516 178.510 176.300 -0.509 0.000 1.136 313 R CA 1.780 57.573 56.100 -0.511 0.000 0.959 313 R CB -0.412 29.749 30.300 -0.232 0.000 0.856 313 R HN 0.706 nan 8.270 nan 0.000 0.437 314 Q N 0.144 119.782 119.800 -0.269 0.000 2.061 314 Q HA -0.160 4.196 4.340 0.025 0.000 0.204 314 Q C 2.284 178.170 176.000 -0.190 0.000 0.984 314 Q CA 1.735 57.434 55.803 -0.173 0.000 0.846 314 Q CB -0.231 28.478 28.738 -0.049 0.000 0.902 314 Q HN 0.395 nan 8.270 nan 0.000 0.421 315 A N 0.950 123.648 122.820 -0.202 0.000 1.902 315 A HA -0.114 4.222 4.320 0.025 0.000 0.217 315 A C 2.306 179.753 177.584 -0.229 0.000 1.181 315 A CA 1.643 53.584 52.037 -0.159 0.000 0.623 315 A CB -1.253 17.672 19.000 -0.124 0.000 0.818 315 A HN 0.489 nan 8.150 nan 0.000 0.443 316 G N -0.515 108.017 108.800 -0.447 0.000 2.421 316 G HA2 -0.142 3.833 3.960 0.025 0.000 0.216 316 G HA3 -0.142 3.833 3.960 0.025 0.000 0.216 316 G C 1.506 176.178 174.900 -0.379 0.000 1.171 316 G CA 1.300 46.097 45.100 -0.506 0.000 0.775 316 G HN 0.329 nan 8.290 nan 0.000 0.543 317 V N 1.543 121.149 119.914 -0.513 0.000 2.407 317 V HA -0.110 4.026 4.120 0.025 0.000 0.248 317 V C 3.301 179.338 176.094 -0.096 0.000 1.055 317 V CA 1.879 64.047 62.300 -0.220 0.000 1.049 317 V CB -0.752 30.951 31.823 -0.201 0.000 0.662 317 V HN 0.482 nan 8.190 nan 0.000 0.455 318 A N -0.774 121.988 122.820 -0.098 0.000 1.972 318 A HA 0.280 4.615 4.320 0.025 0.000 0.219 318 A C 1.648 179.228 177.584 -0.006 0.000 1.169 318 A CA 1.577 53.593 52.037 -0.035 0.000 0.635 318 A CB -0.854 18.135 19.000 -0.018 0.000 0.810 318 A HN 1.219 nan 8.150 nan 0.000 0.446 319 G N -2.934 105.863 108.800 -0.004 0.000 2.693 319 G HA2 0.309 4.284 3.960 0.025 0.000 0.226 319 G HA3 0.309 4.284 3.960 0.025 0.000 0.226 319 G C 1.153 176.080 174.900 0.044 0.000 1.354 319 G CA 0.458 45.578 45.100 0.034 0.000 0.873 319 G HN 2.354 nan 8.290 nan 0.000 0.562 320 G N -2.021 106.810 108.800 0.052 0.000 2.561 320 G HA2 -0.135 3.840 3.960 0.025 0.000 0.289 320 G HA3 -0.135 3.840 3.960 0.025 0.000 0.289 320 G C 1.312 176.252 174.900 0.068 0.000 1.169 320 G CA 1.533 46.670 45.100 0.061 0.000 0.980 320 G HN 2.207 nan 8.290 nan 0.000 0.550 321 C N 1.669 121.029 119.300 0.101 0.000 2.625 321 C HA 0.377 4.852 4.460 0.025 0.000 0.285 321 C C 2.753 177.773 174.990 0.050 0.000 1.279 321 C CA 0.745 59.806 59.018 0.072 0.000 1.698 321 C CB -1.317 26.485 27.740 0.103 0.000 1.821 321 C HN 0.503 nan 8.230 nan 0.000 0.600 322 M N 1.603 121.245 119.600 0.070 0.000 2.175 322 M HA -0.076 4.419 4.480 0.025 0.000 0.264 322 M C 2.435 178.770 176.300 0.058 0.000 1.063 322 M CA 1.937 57.278 55.300 0.068 0.000 1.119 322 M CB -1.878 30.753 32.600 0.052 0.000 1.377 322 M HN 0.627 nan 8.290 nan 0.000 0.415 323 T N -1.185 113.389 114.554 0.033 0.000 2.904 323 T HA 0.079 4.444 4.350 0.025 0.000 0.267 323 T C 1.964 176.713 174.700 0.081 0.000 1.059 323 T CA 1.179 63.300 62.100 0.037 0.000 1.137 323 T CB -0.528 68.344 68.868 0.005 0.000 0.879 323 T HN 0.296 nan 8.240 nan 0.000 0.467 324 A N 1.363 124.204 122.820 0.034 0.000 1.902 324 A HA 0.047 4.382 4.320 0.025 0.000 0.217 324 A C 2.615 180.198 177.584 -0.002 0.000 1.181 324 A CA 1.622 53.660 52.037 0.001 0.000 0.623 324 A CB -1.151 17.817 19.000 -0.053 0.000 0.818 324 A HN 0.410 nan 8.150 nan 0.000 0.443 325 V N -1.408 118.504 119.914 -0.002 0.000 2.343 325 V HA -0.294 3.841 4.120 0.025 0.000 0.247 325 V C 2.343 178.488 176.094 0.085 0.000 1.051 325 V CA 2.108 64.426 62.300 0.031 0.000 1.036 325 V CB -1.072 30.795 31.823 0.073 0.000 0.654 325 V HN 0.726 nan 8.190 nan 0.000 0.451 326 Y N 1.655 121.945 120.300 -0.016 0.000 2.128 326 Y HA -0.302 4.263 4.550 0.025 0.000 0.284 326 Y C 2.540 178.425 175.900 -0.026 0.000 1.154 326 Y CA 2.375 60.461 58.100 -0.023 0.000 1.149 326 Y CB -0.269 38.177 38.460 -0.024 0.000 0.976 326 Y HN 0.350 nan 8.280 nan 0.000 0.505 327 N N 0.252 119.048 118.700 0.160 0.000 2.106 327 N HA -0.144 4.611 4.740 0.025 0.000 0.188 327 N C 1.874 177.363 175.510 -0.036 0.000 1.029 327 N CA 1.613 54.699 53.050 0.059 0.000 0.848 327 N CB -0.589 37.956 38.487 0.096 0.000 1.007 327 N HN 0.469 nan 8.380 nan 0.000 0.423 328 A N 0.367 123.169 122.820 -0.030 0.000 1.877 328 A HA 0.047 4.382 4.320 0.025 0.000 0.216 328 A C 2.331 179.867 177.584 -0.080 0.000 1.186 328 A CA 1.944 53.949 52.037 -0.052 0.000 0.620 328 A CB -1.262 17.706 19.000 -0.054 0.000 0.822 328 A HN 0.413 nan 8.150 nan 0.000 0.443 329 A N 0.235 122.998 122.820 -0.096 0.000 1.933 329 A HA -0.233 4.102 4.320 0.025 0.000 0.218 329 A C 1.947 179.434 177.584 -0.162 0.000 1.175 329 A CA 2.161 54.121 52.037 -0.128 0.000 0.628 329 A CB -0.806 18.116 19.000 -0.129 0.000 0.814 329 A HN 0.668 nan 8.150 nan 0.000 0.444 330 N N -0.231 118.339 118.700 -0.217 0.000 2.120 330 N HA -0.173 4.582 4.740 0.025 0.000 0.188 330 N C 1.617 177.057 175.510 -0.116 0.000 1.024 330 N CA 1.881 54.803 53.050 -0.213 0.000 0.852 330 N CB -0.266 38.053 38.487 -0.280 0.000 1.003 330 N HN 0.631 nan 8.380 nan 0.000 0.424 331 E N -0.065 120.084 120.200 -0.085 0.000 2.038 331 E HA -0.203 4.162 4.350 0.025 0.000 0.195 331 E C 1.764 178.340 176.600 -0.040 0.000 1.000 331 E CA 1.113 57.485 56.400 -0.047 0.000 0.803 331 E CB -0.081 29.597 29.700 -0.037 0.000 0.750 331 E HN 0.404 nan 8.360 nan 0.000 0.448 332 E N 0.180 120.347 120.200 -0.055 0.000 2.051 332 E HA -0.180 4.185 4.350 0.025 0.000 0.192 332 E C 2.049 178.625 176.600 -0.040 0.000 0.991 332 E CA 1.097 57.467 56.400 -0.050 0.000 0.799 332 E CB -0.213 29.447 29.700 -0.068 0.000 0.748 332 E HN 0.239 nan 8.360 nan 0.000 0.449 333 A N 1.282 124.065 122.820 -0.061 0.000 1.898 333 A HA -0.045 4.290 4.320 0.025 0.000 0.216 333 A C 2.398 179.979 177.584 -0.005 0.000 1.181 333 A CA 1.954 53.960 52.037 -0.052 0.000 0.620 333 A CB -0.525 18.413 19.000 -0.103 0.000 0.819 333 A HN 0.266 nan 8.150 nan 0.000 0.442 334 A N -0.135 122.677 122.820 -0.013 0.000 1.930 334 A HA 0.190 4.525 4.320 0.025 0.000 0.217 334 A C 2.483 180.142 177.584 0.125 0.000 1.175 334 A CA 1.981 54.050 52.037 0.054 0.000 0.627 334 A CB -0.949 18.063 19.000 0.020 0.000 0.815 334 A HN 0.995 nan 8.150 nan 0.000 0.443 335 A N 0.030 122.887 122.820 0.062 0.000 1.877 335 A HA 0.147 4.482 4.320 0.025 0.000 0.216 335 A C 2.521 180.137 177.584 0.053 0.000 1.186 335 A CA 2.119 54.187 52.037 0.051 0.000 0.620 335 A CB -1.127 17.883 19.000 0.017 0.000 0.822 335 A HN 1.120 nan 8.150 nan 0.000 0.443 336 A N -1.247 121.602 122.820 0.048 0.000 1.986 336 A HA -0.120 4.216 4.320 0.025 0.000 0.220 336 A C 2.043 179.675 177.584 0.080 0.000 1.171 336 A CA 1.775 53.837 52.037 0.041 0.000 0.640 336 A CB -0.714 18.302 19.000 0.027 0.000 0.811 336 A HN 0.796 nan 8.150 nan 0.000 0.451 337 F N 0.234 120.184 119.950 0.000 0.000 2.163 337 F HA -0.013 4.529 4.527 0.025 0.000 0.297 337 F C 1.782 177.610 175.800 0.046 0.000 1.094 337 F CA 1.387 59.405 58.000 0.031 0.000 1.290 337 F CB -0.201 38.831 39.000 0.054 0.000 1.017 337 F HN 0.118 nan 8.300 nan 0.000 0.483 338 L N 0.111 121.309 121.223 -0.042 0.000 2.201 338 L HA -0.079 4.276 4.340 0.025 0.000 0.212 338 L C 2.258 179.039 176.870 -0.149 0.000 1.105 338 L CA 0.931 55.693 54.840 -0.131 0.000 0.775 338 L CB -0.884 41.195 42.059 0.033 0.000 0.913 338 L HN 0.257 nan 8.230 nan 0.000 0.440 339 A N -0.299 122.464 122.820 -0.095 0.000 2.327 339 A HA 0.346 4.681 4.320 0.025 0.000 0.228 339 A C 1.614 179.141 177.584 -0.095 0.000 1.275 339 A CA 0.510 52.502 52.037 -0.076 0.000 0.875 339 A CB -0.664 18.314 19.000 -0.038 0.000 0.925 339 A HN 0.481 nan 8.150 nan 0.000 0.493 340 G N -0.344 108.356 108.800 -0.166 0.000 2.203 340 G HA2 -0.342 3.633 3.960 0.025 0.000 0.263 340 G HA3 -0.342 3.633 3.960 0.025 0.000 0.263 340 G C 0.916 175.772 174.900 -0.074 0.000 1.012 340 G CA 0.917 45.928 45.100 -0.149 0.000 0.749 340 G HN 0.654 nan 8.290 nan 0.000 0.512 341 R N -0.368 120.105 120.500 -0.045 0.000 2.254 341 R HA 0.535 4.890 4.340 0.025 0.000 0.193 341 R C 1.356 177.669 176.300 0.021 0.000 0.929 341 R CA 0.973 57.067 56.100 -0.010 0.000 1.038 341 R CB 0.136 30.430 30.300 -0.010 0.000 1.009 341 R HN 0.817 nan 8.270 nan 0.000 0.512 342 I N -3.802 116.807 120.570 0.065 0.000 3.191 342 I HA 0.671 4.856 4.170 0.025 0.000 0.313 342 I C -0.111 176.136 176.117 0.216 0.000 1.193 342 I CA -1.599 59.762 61.300 0.102 0.000 0.968 342 I CB 1.845 39.893 38.000 0.080 0.000 1.262 342 I HN -0.087 nan 8.210 nan 0.000 0.456 343 G N 0.558 109.458 108.800 0.167 0.000 2.537 343 G HA2 0.293 4.268 3.960 0.025 0.000 0.273 343 G HA3 0.293 4.268 3.960 0.025 0.000 0.273 343 G C -0.112 174.902 174.900 0.190 0.000 1.189 343 G CA -0.430 44.801 45.100 0.219 0.000 0.881 343 G HN 0.743 nan 8.290 nan 0.000 0.535 344 F N 2.136 122.057 119.950 -0.048 0.000 2.065 344 F HA -0.033 4.509 4.527 0.025 0.000 0.298 344 F C 0.054 175.676 175.800 -0.297 0.000 1.112 344 F CA 1.708 59.431 58.000 -0.462 0.000 1.212 344 F CB -0.608 38.101 39.000 -0.485 0.000 0.975 344 F HN 0.314 nan 8.300 nan 0.000 0.476 345 P HA -0.152 nan 4.420 nan 0.000 0.218 345 P C 1.372 178.542 177.300 -0.216 0.000 1.148 345 P CA 2.095 65.064 63.100 -0.218 0.000 0.822 345 P CB -0.381 31.254 31.700 -0.107 0.000 0.784 346 A N -1.046 121.681 122.820 -0.155 0.000 2.121 346 A HA -0.142 4.193 4.320 0.025 0.000 0.218 346 A C 2.039 179.526 177.584 -0.161 0.000 1.154 346 A CA 0.941 52.907 52.037 -0.118 0.000 0.679 346 A CB -1.485 17.483 19.000 -0.053 0.000 0.795 346 A HN 0.127 nan 8.150 nan 0.000 0.458 347 I N -0.551 119.863 120.570 -0.261 0.000 2.069 347 I HA -0.264 3.921 4.170 0.025 0.000 0.237 347 I C 2.301 178.265 176.117 -0.254 0.000 1.053 347 I CA 1.677 62.809 61.300 -0.281 0.000 1.311 347 I CB -0.529 37.207 38.000 -0.441 0.000 1.030 347 I HN 0.158 nan 8.210 nan 0.000 0.398 348 V N 1.029 120.776 119.914 -0.278 0.000 2.515 348 V HA -0.153 3.982 4.120 0.025 0.000 0.250 348 V C 2.565 178.568 176.094 -0.152 0.000 1.058 348 V CA 1.850 64.029 62.300 -0.201 0.000 1.064 348 V CB -1.494 30.237 31.823 -0.154 0.000 0.675 348 V HN 0.620 nan 8.190 nan 0.000 0.461 349 G N 0.467 109.183 108.800 -0.141 0.000 2.529 349 G HA2 -0.293 3.682 3.960 0.025 0.000 0.219 349 G HA3 -0.293 3.682 3.960 0.025 0.000 0.219 349 G C 1.580 176.423 174.900 -0.096 0.000 1.177 349 G CA 1.392 46.434 45.100 -0.096 0.000 0.773 349 G HN 0.493 nan 8.290 nan 0.000 0.573 350 I N 0.557 121.060 120.570 -0.112 0.000 2.226 350 I HA -0.122 4.063 4.170 0.025 0.000 0.245 350 I C 2.680 178.717 176.117 -0.134 0.000 1.100 350 I CA 0.672 61.907 61.300 -0.108 0.000 1.374 350 I CB -0.180 37.758 38.000 -0.103 0.000 1.057 350 I HN 0.182 nan 8.210 nan 0.000 0.413 351 I N 0.741 121.209 120.570 -0.171 0.000 2.163 351 I HA -0.323 3.862 4.170 0.025 0.000 0.243 351 I C 2.825 178.831 176.117 -0.185 0.000 1.085 351 I CA 1.442 62.623 61.300 -0.198 0.000 1.347 351 I CB -0.615 37.202 38.000 -0.306 0.000 1.044 351 I HN 0.188 nan 8.210 nan 0.000 0.408 352 A N 0.841 123.536 122.820 -0.208 0.000 1.865 352 A HA -0.269 4.066 4.320 0.025 0.000 0.217 352 A C 1.988 179.234 177.584 -0.563 0.000 1.191 352 A CA 2.314 54.110 52.037 -0.402 0.000 0.623 352 A CB -0.739 18.134 19.000 -0.211 0.000 0.826 352 A HN 0.388 nan 8.150 nan 0.000 0.444 353 D N -0.274 120.004 120.400 -0.202 0.000 2.123 353 D HA -0.113 4.543 4.640 0.025 0.000 0.196 353 D C 2.087 178.373 176.300 -0.024 0.000 0.992 353 D CA 1.553 55.526 54.000 -0.045 0.000 0.833 353 D CB -0.558 40.239 40.800 -0.005 0.000 0.954 353 D HN 0.253 nan 8.370 nan 0.000 0.455 354 V N 1.093 120.974 119.914 -0.056 0.000 2.307 354 V HA -0.198 3.937 4.120 0.025 0.000 0.245 354 V C 2.700 178.890 176.094 0.160 0.000 1.045 354 V CA 1.067 63.383 62.300 0.026 0.000 1.024 354 V CB -0.501 31.302 31.823 -0.035 0.000 0.651 354 V HN 0.164 nan 8.190 nan 0.000 0.449 355 L N -0.570 120.672 121.223 0.031 0.000 2.046 355 L HA -0.226 4.130 4.340 0.025 0.000 0.208 355 L C 2.526 179.485 176.870 0.148 0.000 1.077 355 L CA 1.990 56.877 54.840 0.078 0.000 0.747 355 L CB -0.824 41.226 42.059 -0.016 0.000 0.896 355 L HN 0.448 nan 8.230 nan 0.000 0.432 356 H N -0.889 118.256 119.070 0.126 0.000 2.457 356 H HA -0.103 4.468 4.556 0.025 0.000 0.297 356 H C 1.949 177.356 175.328 0.131 0.000 1.092 356 H CA 0.637 56.746 56.048 0.100 0.000 1.309 356 H CB 0.038 29.842 29.762 0.069 0.000 1.382 356 H HN 0.410 nan 8.280 nan 0.000 0.535 357 A N 0.496 123.503 122.820 0.311 0.000 2.307 357 A HA 0.438 4.773 4.320 0.025 0.000 0.218 357 A C 1.661 179.494 177.584 0.415 0.000 1.228 357 A CA 0.478 52.723 52.037 0.346 0.000 0.857 357 A CB 0.066 19.285 19.000 0.365 0.000 0.897 357 A HN 0.366 nan 8.150 nan 0.000 0.495 358 A N -0.065 122.944 122.820 0.314 0.000 2.708 358 A HA 0.396 4.732 4.320 0.025 0.000 0.293 358 A C 0.386 177.976 177.584 0.009 0.000 1.303 358 A CA 0.132 52.250 52.037 0.134 0.000 0.949 358 A CB -0.476 18.716 19.000 0.322 0.000 1.121 358 A HN 0.348 nan 8.150 nan 0.000 0.542 359 D N 0.306 120.686 120.400 -0.035 0.000 2.264 359 D HA -0.189 4.466 4.640 0.025 0.000 0.208 359 D C 2.077 178.270 176.300 -0.179 0.000 0.966 359 D CA 1.337 55.300 54.000 -0.062 0.000 0.864 359 D CB -0.053 40.728 40.800 -0.033 0.000 0.933 359 D HN 0.809 nan 8.370 nan 0.000 0.499 360 Q N -0.289 119.282 119.800 -0.382 0.000 2.291 360 Q HA -0.135 4.220 4.340 0.025 0.000 0.205 360 Q C 0.725 176.342 176.000 -0.638 0.000 0.970 360 Q CA 0.821 56.267 55.803 -0.596 0.000 0.876 360 Q CB -0.459 27.744 28.738 -0.892 0.000 0.935 360 Q HN 0.486 nan 8.270 nan 0.000 0.455 361 W N 0.125 121.277 121.300 -0.247 0.000 3.325 361 W HA 0.530 5.205 4.660 0.025 0.000 0.370 361 W C 1.276 177.731 176.519 -0.106 0.000 1.169 361 W CA -0.209 57.023 57.345 -0.190 0.000 1.874 361 W CB 0.466 29.790 29.460 -0.227 0.000 1.076 361 W HN 0.180 nan 8.180 nan 0.000 0.684 362 A N 0.111 122.955 122.820 0.040 0.000 2.238 362 A HA 0.199 4.534 4.320 0.025 0.000 0.208 362 A C 0.611 178.207 177.584 0.019 0.000 1.177 362 A CA 0.331 52.386 52.037 0.031 0.000 0.804 362 A CB -0.403 18.597 19.000 0.000 0.000 0.823 362 A HN -0.013 nan 8.150 nan 0.000 0.482 363 V N 1.486 121.409 119.914 0.014 0.000 2.607 363 V HA 0.141 4.276 4.120 0.025 0.000 0.289 363 V C 0.187 176.309 176.094 0.047 0.000 1.053 363 V CA -1.029 61.277 62.300 0.011 0.000 0.996 363 V CB 1.193 33.002 31.823 -0.024 0.000 0.995 363 V HN 0.403 nan 8.190 nan 0.000 0.476 364 E N 5.026 125.247 120.200 0.034 0.000 2.392 364 E HA 0.175 4.541 4.350 0.025 0.000 0.264 364 E C -2.215 174.413 176.600 0.046 0.000 1.024 364 E CA -1.214 55.210 56.400 0.040 0.000 0.903 364 E CB 0.434 30.150 29.700 0.027 0.000 0.963 364 E HN 0.489 nan 8.360 nan 0.000 0.432 365 P HA 0.127 nan 4.420 nan 0.000 0.279 365 P C -0.383 176.936 177.300 0.031 0.000 1.239 365 P CA -0.118 63.013 63.100 0.053 0.000 0.789 365 P CB 1.295 33.023 31.700 0.047 0.000 0.933 366 A N 2.785 125.624 122.820 0.030 0.000 2.014 366 A HA 0.207 4.542 4.320 0.025 0.000 0.210 366 A C 1.025 178.618 177.584 0.014 0.000 1.188 366 A CA 1.323 53.371 52.037 0.018 0.000 0.731 366 A CB -0.475 18.535 19.000 0.016 0.000 0.858 366 A HN 0.677 nan 8.150 nan 0.000 0.464 367 T N -5.446 109.119 114.554 0.019 0.000 2.838 367 T HA 0.460 4.825 4.350 0.025 0.000 0.292 367 T C 0.764 175.471 174.700 0.013 0.000 1.113 367 T CA 0.105 62.213 62.100 0.013 0.000 1.008 367 T CB 1.202 70.080 68.868 0.016 0.000 1.259 367 T HN -0.005 nan 8.240 nan 0.000 0.520 368 V N 1.073 120.991 119.914 0.005 0.000 2.407 368 V HA -0.142 3.993 4.120 0.025 0.000 0.248 368 V C 2.361 178.459 176.094 0.006 0.000 1.055 368 V CA 2.125 64.425 62.300 0.000 0.000 1.049 368 V CB -0.768 31.052 31.823 -0.005 0.000 0.662 368 V HN 0.881 nan 8.190 nan 0.000 0.455 369 D N -0.065 120.344 120.400 0.015 0.000 2.178 369 D HA -0.162 4.493 4.640 0.025 0.000 0.201 369 D C 1.883 178.207 176.300 0.039 0.000 0.980 369 D CA 1.296 55.311 54.000 0.024 0.000 0.842 369 D CB -0.267 40.551 40.800 0.029 0.000 0.948 369 D HN 0.444 nan 8.370 nan 0.000 0.472 370 D N 0.310 120.741 120.400 0.052 0.000 2.104 370 D HA -0.114 4.541 4.640 0.025 0.000 0.194 370 D C 2.321 178.649 176.300 0.046 0.000 0.994 370 D CA 0.499 54.553 54.000 0.091 0.000 0.830 370 D CB -0.270 40.587 40.800 0.094 0.000 0.959 370 D HN 0.091 nan 8.370 nan 0.000 0.452 371 V N 1.143 121.060 119.914 0.005 0.000 2.343 371 V HA -0.206 3.929 4.120 0.025 0.000 0.247 371 V C 2.638 178.682 176.094 -0.084 0.000 1.051 371 V CA 1.114 63.388 62.300 -0.044 0.000 1.036 371 V CB -0.450 31.356 31.823 -0.028 0.000 0.654 371 V HN 0.193 nan 8.190 nan 0.000 0.451 372 L N -0.350 120.846 121.223 -0.045 0.000 2.093 372 L HA -0.151 4.204 4.340 0.025 0.000 0.208 372 L C 2.358 179.193 176.870 -0.058 0.000 1.085 372 L CA 1.363 56.177 54.840 -0.044 0.000 0.755 372 L CB -0.792 41.258 42.059 -0.015 0.000 0.904 372 L HN 0.331 nan 8.230 nan 0.000 0.435 373 D N 0.564 120.943 120.400 -0.035 0.000 2.097 373 D HA -0.160 4.495 4.640 0.025 0.000 0.195 373 D C 2.281 178.427 176.300 -0.257 0.000 0.989 373 D CA 1.575 55.575 54.000 -0.000 0.000 0.827 373 D CB -0.066 40.835 40.800 0.169 0.000 0.966 373 D HN 0.298 nan 8.370 nan 0.000 0.456 374 A N 0.973 123.393 122.820 -0.667 0.000 1.908 374 A HA -0.245 4.090 4.320 0.025 0.000 0.218 374 A C 2.129 179.344 177.584 -0.616 0.000 1.181 374 A CA 1.540 52.743 52.037 -1.390 0.000 0.627 374 A CB -0.616 17.735 19.000 -1.083 0.000 0.818 374 A HN 0.234 nan 8.150 nan 0.000 0.445 375 Q N -1.287 118.329 119.800 -0.307 0.000 2.123 375 Q HA -0.135 4.220 4.340 0.025 0.000 0.199 375 Q C 2.366 178.315 176.000 -0.086 0.000 0.966 375 Q CA 1.238 56.950 55.803 -0.151 0.000 0.845 375 Q CB -0.159 28.518 28.738 -0.101 0.000 0.907 375 Q HN 0.710 nan 8.270 nan 0.000 0.439 376 R N 0.122 120.585 120.500 -0.062 0.000 2.083 376 R HA -0.207 4.148 4.340 0.025 0.000 0.237 376 R C 1.935 178.257 176.300 0.037 0.000 1.137 376 R CA 1.737 57.835 56.100 -0.003 0.000 0.951 376 R CB -0.366 29.953 30.300 0.031 0.000 0.851 376 R HN 0.336 nan 8.270 nan 0.000 0.434 377 W N 0.786 122.017 121.300 -0.116 0.000 2.333 377 W HA -0.224 4.451 4.660 0.025 0.000 0.316 377 W C 2.096 178.586 176.519 -0.048 0.000 1.215 377 W CA 2.441 59.774 57.345 -0.020 0.000 1.278 377 W CB -0.454 29.067 29.460 0.102 0.000 1.154 377 W HN 0.243 nan 8.180 nan 0.000 0.486 378 A N 0.504 123.383 122.820 0.099 0.000 1.933 378 A HA -0.164 4.171 4.320 0.025 0.000 0.218 378 A C 2.025 179.503 177.584 -0.177 0.000 1.175 378 A CA 1.735 53.736 52.037 -0.058 0.000 0.628 378 A CB -0.761 18.275 19.000 0.060 0.000 0.814 378 A HN 0.405 nan 8.150 nan 0.000 0.444 379 R N -0.430 119.996 120.500 -0.125 0.000 2.073 379 R HA -0.144 4.211 4.340 0.025 0.000 0.234 379 R C 2.187 178.395 176.300 -0.153 0.000 1.134 379 R CA 1.714 57.744 56.100 -0.117 0.000 0.952 379 R CB -0.361 29.893 30.300 -0.076 0.000 0.850 379 R HN 0.686 nan 8.270 nan 0.000 0.433 380 E N -0.028 120.066 120.200 -0.177 0.000 2.058 380 E HA -0.242 4.123 4.350 0.025 0.000 0.194 380 E C 2.079 178.514 176.600 -0.275 0.000 0.997 380 E CA 1.182 57.465 56.400 -0.194 0.000 0.801 380 E CB -0.076 29.518 29.700 -0.175 0.000 0.746 380 E HN 0.070 nan 8.360 nan 0.000 0.450 381 R N 0.933 121.151 120.500 -0.469 0.000 2.096 381 R HA -0.115 4.240 4.340 0.025 0.000 0.235 381 R C 1.977 178.099 176.300 -0.296 0.000 1.127 381 R CA 1.608 57.403 56.100 -0.509 0.000 0.968 381 R CB -0.465 29.256 30.300 -0.964 0.000 0.861 381 R HN 0.163 nan 8.270 nan 0.000 0.440 382 A N 0.166 122.839 122.820 -0.245 0.000 1.929 382 A HA -0.146 4.189 4.320 0.025 0.000 0.216 382 A C 2.094 179.605 177.584 -0.123 0.000 1.176 382 A CA 1.259 53.200 52.037 -0.160 0.000 0.628 382 A CB -0.579 18.338 19.000 -0.138 0.000 0.816 382 A HN 0.471 nan 8.150 nan 0.000 0.444 383 Q N 0.189 119.915 119.800 -0.124 0.000 2.050 383 Q HA -0.196 4.159 4.340 0.025 0.000 0.202 383 Q C 2.265 178.215 176.000 -0.084 0.000 0.980 383 Q CA 1.671 57.419 55.803 -0.091 0.000 0.840 383 Q CB -0.265 28.422 28.738 -0.086 0.000 0.898 383 Q HN 0.698 nan 8.270 nan 0.000 0.424 384 R N -0.249 120.188 120.500 -0.105 0.000 2.103 384 R HA -0.157 4.199 4.340 0.025 0.000 0.242 384 R C 2.307 178.564 176.300 -0.072 0.000 1.142 384 R CA 1.380 57.427 56.100 -0.087 0.000 0.960 384 R CB -0.417 29.819 30.300 -0.106 0.000 0.858 384 R HN 0.300 nan 8.270 nan 0.000 0.439 385 A N 0.479 123.249 122.820 -0.084 0.000 1.930 385 A HA -0.078 4.257 4.320 0.025 0.000 0.217 385 A C 2.337 179.891 177.584 -0.050 0.000 1.175 385 A CA 1.129 53.127 52.037 -0.064 0.000 0.627 385 A CB -0.306 18.649 19.000 -0.074 0.000 0.815 385 A HN 0.117 nan 8.150 nan 0.000 0.443 386 V N -0.213 119.669 119.914 -0.052 0.000 2.358 386 V HA -0.185 3.950 4.120 0.025 0.000 0.246 386 V C 2.676 178.752 176.094 -0.029 0.000 1.047 386 V CA 2.180 64.458 62.300 -0.036 0.000 1.035 386 V CB -0.699 31.103 31.823 -0.035 0.000 0.658 386 V HN 0.539 nan 8.190 nan 0.000 0.452 387 S N 0.577 116.257 115.700 -0.034 0.000 2.440 387 S HA -0.113 4.372 4.470 0.025 0.000 0.238 387 S C 1.666 176.253 174.600 -0.022 0.000 1.010 387 S CA 1.191 59.374 58.200 -0.028 0.000 0.972 387 S CB -0.335 62.846 63.200 -0.032 0.000 0.774 387 S HN 0.703 nan 8.310 nan 0.000 0.501 388 G N 0.522 109.308 108.800 -0.023 0.000 3.591 388 G HA2 0.503 4.478 3.960 0.025 0.000 0.282 388 G HA3 0.503 4.478 3.960 0.025 0.000 0.282 388 G C -0.015 174.877 174.900 -0.014 0.000 1.238 388 G CA -0.241 44.848 45.100 -0.017 0.000 0.993 388 G HN 0.269 nan 8.290 nan 0.000 0.542 389 M N 0.000 119.593 119.600 -0.012 0.000 2.572 389 M HA 0.000 4.495 4.480 0.025 0.000 0.227 389 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 389 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411