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 1hzy_1_A DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA S 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.272 176.300 -0.047 0.000 2.045 35 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 35 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 36 R N 0.128 120.594 120.500 -0.056 0.000 2.725 36 R HA 0.731 5.072 4.340 0.001 0.000 0.277 36 R C -1.025 175.228 176.300 -0.078 0.000 0.987 36 R CA -0.776 55.286 56.100 -0.064 0.000 0.901 36 R CB 2.413 32.680 30.300 -0.055 0.000 1.207 36 R HN -0.031 nan 8.270 nan 0.000 0.463 37 I N 1.740 122.256 120.570 -0.090 0.000 2.378 37 I HA 0.255 4.426 4.170 0.001 0.000 0.291 37 I C -0.292 175.767 176.117 -0.095 0.000 0.992 37 I CA -0.625 60.614 61.300 -0.101 0.000 1.154 37 I CB 1.919 39.854 38.000 -0.109 0.000 1.315 37 I HN 0.452 nan 8.210 nan 0.000 0.448 38 N N 3.993 122.640 118.700 -0.088 0.000 2.497 38 N HA 0.309 5.049 4.740 0.001 0.000 0.271 38 N C -0.307 175.167 175.510 -0.061 0.000 1.142 38 N CA -0.082 52.926 53.050 -0.070 0.000 0.965 38 N CB 0.964 39.409 38.487 -0.070 0.000 1.077 38 N HN 0.660 nan 8.380 nan 0.000 0.462 39 T N -2.392 112.138 114.554 -0.040 0.000 2.888 39 T HA 0.238 4.589 4.350 0.001 0.000 0.288 39 T C 1.233 175.937 174.700 0.007 0.000 1.063 39 T CA -0.909 61.184 62.100 -0.011 0.000 1.010 39 T CB 0.943 69.820 68.868 0.014 0.000 1.214 39 T HN 0.160 nan 8.240 nan 0.000 0.533 40 V N -0.901 119.028 119.914 0.025 0.000 3.078 40 V HA 0.159 4.280 4.120 0.001 0.000 0.265 40 V C 1.749 177.862 176.094 0.031 0.000 1.122 40 V CA 0.825 63.140 62.300 0.025 0.000 1.141 40 V CB -1.239 30.600 31.823 0.027 0.000 0.735 40 V HN 0.824 nan 8.190 nan 0.000 0.498 41 R N 0.903 121.430 120.500 0.045 0.000 2.432 41 R HA 0.540 4.880 4.340 0.001 0.000 0.260 41 R C 0.923 177.244 176.300 0.034 0.000 0.935 41 R CA 0.511 56.639 56.100 0.046 0.000 1.080 41 R CB 0.709 31.050 30.300 0.069 0.000 1.155 41 R HN 0.722 nan 8.270 nan 0.000 0.531 42 G N 1.642 110.454 108.800 0.020 0.000 2.422 42 G HA2 -0.150 3.811 3.960 0.001 0.000 0.607 42 G HA3 -0.150 3.811 3.960 0.001 0.000 0.607 42 G C -3.045 171.847 174.900 -0.014 0.000 1.270 42 G CA -1.280 43.823 45.100 0.005 0.000 0.992 42 G HN -0.123 nan 8.290 nan 0.000 0.499 43 P HA 0.568 nan 4.420 nan 0.000 0.275 43 P C 0.018 177.281 177.300 -0.061 0.000 1.228 43 P CA -0.146 62.926 63.100 -0.046 0.000 0.786 43 P CB 0.821 32.497 31.700 -0.040 0.000 0.927 44 I N -1.560 118.947 120.570 -0.106 0.000 2.892 44 I HA 0.662 4.833 4.170 0.001 0.000 0.306 44 I C 0.106 176.155 176.117 -0.114 0.000 1.078 44 I CA -1.029 60.184 61.300 -0.146 0.000 1.032 44 I CB 2.249 40.044 38.000 -0.341 0.000 1.229 44 I HN 0.238 nan 8.210 nan 0.000 0.435 45 T N 0.851 115.352 114.554 -0.089 0.000 2.849 45 T HA 0.341 4.692 4.350 0.001 0.000 0.284 45 T C 1.353 176.010 174.700 -0.071 0.000 1.004 45 T CA -0.733 61.329 62.100 -0.063 0.000 1.021 45 T CB 1.075 69.921 68.868 -0.036 0.000 1.013 45 T HN 0.514 nan 8.240 nan 0.000 0.527 46 I N 1.609 122.147 120.570 -0.053 0.000 2.194 46 I HA -0.189 3.982 4.170 0.001 0.000 0.246 46 I C 2.806 178.905 176.117 -0.030 0.000 1.093 46 I CA 1.873 63.146 61.300 -0.046 0.000 1.355 46 I CB -2.187 35.792 38.000 -0.035 0.000 1.046 46 I HN 0.892 nan 8.210 nan 0.000 0.413 47 S N 0.389 116.077 115.700 -0.019 0.000 2.447 47 S HA -0.129 4.342 4.470 0.001 0.000 0.233 47 S C 1.682 176.290 174.600 0.012 0.000 1.006 47 S CA 0.717 58.917 58.200 -0.000 0.000 0.957 47 S CB -0.523 62.680 63.200 0.005 0.000 0.773 47 S HN 0.536 nan 8.310 nan 0.000 0.507 48 E N 1.491 121.687 120.200 -0.007 0.000 2.274 48 E HA 0.069 4.420 4.350 0.001 0.000 0.194 48 E C 2.261 178.880 176.600 0.030 0.000 0.996 48 E CA 0.621 57.034 56.400 0.021 0.000 0.840 48 E CB -0.316 29.359 29.700 -0.042 0.000 0.772 48 E HN 0.709 nan 8.360 nan 0.000 0.491 49 A N 1.456 124.259 122.820 -0.029 0.000 1.902 49 A HA -0.021 4.300 4.320 0.001 0.000 0.217 49 A C 1.642 179.298 177.584 0.121 0.000 1.181 49 A CA 1.464 53.512 52.037 0.019 0.000 0.623 49 A CB -1.118 17.873 19.000 -0.015 0.000 0.818 49 A HN 0.362 nan 8.150 nan 0.000 0.443 50 G N -1.319 107.538 108.800 0.096 0.000 2.581 50 G HA2 -0.267 3.694 3.960 0.001 0.000 0.291 50 G HA3 -0.267 3.694 3.960 0.001 0.000 0.291 50 G C 0.076 175.071 174.900 0.159 0.000 1.277 50 G CA 0.149 45.326 45.100 0.127 0.000 0.959 50 G HN 1.180 nan 8.290 nan 0.000 0.554 51 F N 2.834 122.810 119.950 0.043 0.000 2.546 51 F HA 0.467 4.995 4.527 0.001 0.000 0.388 51 F C 0.933 176.762 175.800 0.049 0.000 1.051 51 F CA 0.876 58.899 58.000 0.038 0.000 1.130 51 F CB 0.113 39.129 39.000 0.027 0.000 1.044 51 F HN 0.458 nan 8.300 nan 0.000 0.553 52 T N 7.672 122.262 114.554 0.060 0.000 2.841 52 T HA 0.473 4.824 4.350 0.001 0.000 0.283 52 T C -0.360 174.384 174.700 0.074 0.000 1.000 52 T CA -0.666 61.504 62.100 0.118 0.000 0.977 52 T CB 1.277 70.181 68.868 0.060 0.000 0.979 52 T HN 0.366 nan 8.240 nan 0.000 0.446 53 L N 3.420 124.737 121.223 0.158 0.000 2.255 53 L HA 0.301 4.642 4.340 0.001 0.000 0.289 53 L C 1.738 178.666 176.870 0.097 0.000 1.046 53 L CA -0.564 54.360 54.840 0.140 0.000 0.816 53 L CB 0.933 43.101 42.059 0.182 0.000 1.197 53 L HN 0.878 nan 8.230 nan 0.000 0.427 54 T N -1.998 112.601 114.554 0.076 0.000 3.148 54 T HA -0.048 4.303 4.350 0.001 0.000 0.253 54 T C 0.483 175.237 174.700 0.090 0.000 1.134 54 T CA 0.425 62.573 62.100 0.079 0.000 1.051 54 T CB -0.312 68.594 68.868 0.063 0.000 0.959 54 T HN 0.609 nan 8.240 nan 0.000 0.525 55 H N 0.506 119.571 119.070 -0.009 0.000 3.162 55 H HA 0.453 5.010 4.556 0.002 0.000 0.309 55 H C -1.068 174.222 175.328 -0.063 0.000 1.156 55 H CA -0.560 55.456 56.048 -0.053 0.000 1.586 55 H CB 0.572 30.315 29.762 -0.033 0.000 1.740 55 H HN 0.045 nan 8.280 nan 0.000 0.525 56 E N 2.364 122.496 120.200 -0.112 0.000 2.459 56 E HA 0.379 4.730 4.350 0.001 0.000 0.275 56 E C -0.962 175.336 176.600 -0.504 0.000 0.987 56 E CA -0.912 55.437 56.400 -0.086 0.000 0.828 56 E CB 2.167 31.885 29.700 0.030 0.000 1.428 56 E HN 0.583 nan 8.360 nan 0.000 0.457 57 H N 0.324 119.366 119.070 -0.047 0.000 2.974 57 H HA 0.294 4.850 4.556 0.001 0.000 0.366 57 H C 0.812 176.085 175.328 -0.092 0.000 1.155 57 H CA -0.518 55.464 56.048 -0.111 0.000 1.186 57 H CB 1.738 31.374 29.762 -0.210 0.000 1.799 57 H HN 0.267 nan 8.280 nan 0.000 0.541 58 I N 0.428 121.064 120.570 0.110 0.000 2.400 58 I HA -0.061 4.110 4.170 0.001 0.000 0.248 58 I C 1.145 177.335 176.117 0.121 0.000 1.109 58 I CA 1.076 62.505 61.300 0.214 0.000 1.425 58 I CB 0.029 38.135 38.000 0.177 0.000 1.094 58 I HN 0.343 nan 8.210 nan 0.000 0.425 59 C N 0.740 120.044 119.300 0.007 0.000 2.642 59 C HA 0.712 5.173 4.460 0.001 0.000 0.344 59 C C 0.358 175.249 174.990 -0.165 0.000 1.110 59 C CA -0.648 58.314 59.018 -0.093 0.000 1.298 59 C CB 0.531 28.161 27.740 -0.183 0.000 1.827 59 C HN 0.515 nan 8.230 nan 0.000 0.467 60 G N 4.044 112.691 108.800 -0.256 0.000 2.457 60 G HA2 0.523 4.484 3.960 0.001 0.000 0.316 60 G HA3 0.523 4.484 3.960 0.001 0.000 0.316 60 G C -0.030 174.800 174.900 -0.118 0.000 1.030 60 G CA 0.337 45.183 45.100 -0.424 0.000 1.073 60 G HN 0.986 nan 8.290 nan 0.000 0.430 61 S N 1.230 116.827 115.700 -0.172 0.000 3.923 61 S HA 0.836 5.307 4.470 0.001 0.000 0.280 61 S C -0.124 174.385 174.600 -0.152 0.000 1.070 61 S CA -0.372 57.770 58.200 -0.096 0.000 1.300 61 S CB 1.206 64.449 63.200 0.071 0.000 1.322 61 S HN 0.517 nan 8.310 nan 0.000 0.762 62 S N 0.488 116.134 115.700 -0.090 0.000 2.569 62 S HA 0.766 5.237 4.470 0.001 0.000 0.280 62 S C -0.751 173.827 174.600 -0.037 0.000 1.111 62 S CA -0.265 57.897 58.200 -0.063 0.000 0.887 62 S CB 1.489 64.654 63.200 -0.058 0.000 1.095 62 S HN 1.036 nan 8.310 nan 0.000 0.476 63 A N 0.795 123.498 122.820 -0.195 0.000 2.567 63 A HA 0.461 4.781 4.320 0.001 0.000 0.240 63 A C 1.576 179.111 177.584 -0.082 0.000 1.053 63 A CA 0.768 52.596 52.037 -0.349 0.000 0.755 63 A CB -1.232 17.235 19.000 -0.889 0.000 0.978 63 A HN 2.065 nan 8.150 nan 0.000 0.507 64 G N 1.488 110.276 108.800 -0.019 0.000 2.257 64 G HA2 -0.392 3.569 3.960 0.001 0.000 0.267 64 G HA3 -0.392 3.569 3.960 0.001 0.000 0.267 64 G C 0.886 175.860 174.900 0.124 0.000 0.984 64 G CA 1.136 46.272 45.100 0.059 0.000 0.626 64 G HN 1.215 nan 8.290 nan 0.000 0.540 65 F N 0.751 120.726 119.950 0.043 0.000 2.069 65 F HA 0.074 4.602 4.527 0.001 0.000 0.298 65 F C 2.525 178.445 175.800 0.200 0.000 1.113 65 F CA 2.409 60.475 58.000 0.111 0.000 1.214 65 F CB -0.346 38.688 39.000 0.057 0.000 0.978 65 F HN 0.234 nan 8.300 nan 0.000 0.474 66 L N 0.969 122.406 121.223 0.356 0.000 2.079 66 L HA -0.203 4.138 4.340 0.001 0.000 0.210 66 L C 2.336 179.298 176.870 0.153 0.000 1.081 66 L CA 1.837 56.857 54.840 0.300 0.000 0.752 66 L CB -0.740 41.401 42.059 0.137 0.000 0.896 66 L HN 0.091 nan 8.230 nan 0.000 0.433 67 R N -0.859 119.698 120.500 0.095 0.000 2.153 67 R HA 0.071 4.412 4.340 0.001 0.000 0.218 67 R C 2.030 178.354 176.300 0.040 0.000 1.072 67 R CA 0.975 57.114 56.100 0.065 0.000 0.990 67 R CB -0.362 29.971 30.300 0.055 0.000 0.889 67 R HN 0.513 nan 8.270 nan 0.000 0.452 68 A N -0.489 122.332 122.820 0.002 0.000 2.030 68 A HA -0.049 4.272 4.320 0.001 0.000 0.215 68 A C 0.566 178.137 177.584 -0.022 0.000 1.164 68 A CA 0.289 52.305 52.037 -0.035 0.000 0.697 68 A CB 0.115 19.075 19.000 -0.067 0.000 0.827 68 A HN 0.417 nan 8.150 nan 0.000 0.457 69 W N 1.025 122.125 121.300 -0.334 0.000 1.290 69 W HA 0.372 5.032 4.660 0.001 0.000 0.304 69 W C -2.578 173.883 176.519 -0.096 0.000 0.858 69 W CA -2.335 54.818 57.345 -0.320 0.000 1.894 69 W CB 0.920 29.963 29.460 -0.696 0.000 1.934 69 W HN 0.135 nan 8.180 nan 0.000 0.472 70 P HA -0.211 nan 4.420 nan 0.000 0.219 70 P C 0.893 178.388 177.300 0.326 0.000 1.146 70 P CA 1.837 65.139 63.100 0.337 0.000 0.808 70 P CB 0.450 32.280 31.700 0.217 0.000 0.779 71 E N -0.977 119.388 120.200 0.276 0.000 2.333 71 E HA -0.135 4.216 4.350 0.001 0.000 0.198 71 E C 1.608 178.212 176.600 0.007 0.000 1.007 71 E CA 0.509 57.023 56.400 0.190 0.000 0.845 71 E CB -1.236 28.610 29.700 0.244 0.000 0.766 71 E HN 0.276 nan 8.360 nan 0.000 0.507 72 F N -0.238 119.456 119.950 -0.426 0.000 2.250 72 F HA -0.133 4.395 4.527 0.001 0.000 0.301 72 F C 0.814 176.232 175.800 -0.636 0.000 1.077 72 F CA 1.105 58.604 58.000 -0.836 0.000 1.348 72 F CB 0.105 38.319 39.000 -1.309 0.000 1.040 72 F HN -0.037 nan 8.300 nan 0.000 0.509 73 F N -0.153 119.829 119.950 0.055 0.000 2.684 73 F HA 0.397 4.925 4.527 0.002 0.000 0.298 73 F C 1.500 177.300 175.800 0.000 0.000 1.120 73 F CA 0.352 58.376 58.000 0.040 0.000 1.332 73 F CB 0.295 39.386 39.000 0.150 0.000 0.986 73 F HN 0.143 nan 8.300 nan 0.000 0.524 74 G N 0.790 109.635 108.800 0.075 0.000 4.365 74 G HA2 -0.258 3.703 3.960 0.001 0.000 0.214 74 G HA3 -0.258 3.703 3.960 0.001 0.000 0.214 74 G C 0.232 175.197 174.900 0.109 0.000 1.450 74 G CA 0.111 45.250 45.100 0.065 0.000 0.937 74 G HN 0.867 nan 8.290 nan 0.000 0.625 75 S N -1.261 114.530 115.700 0.152 0.000 2.595 75 S HA 0.674 5.145 4.470 0.001 0.000 0.270 75 S C 0.341 175.028 174.600 0.144 0.000 1.145 75 S CA 0.618 58.902 58.200 0.140 0.000 0.825 75 S CB 1.678 64.932 63.200 0.090 0.000 1.107 75 S HN 0.936 nan 8.310 nan 0.000 0.461 76 R N 1.003 121.573 120.500 0.117 0.000 2.096 76 R HA -0.047 4.294 4.340 0.001 0.000 0.235 76 R C 2.080 178.404 176.300 0.041 0.000 1.127 76 R CA 1.780 57.924 56.100 0.074 0.000 0.968 76 R CB -0.432 29.904 30.300 0.060 0.000 0.861 76 R HN 0.770 nan 8.270 nan 0.000 0.440 77 K N -0.055 120.370 120.400 0.042 0.000 2.057 77 K HA -0.109 4.212 4.320 0.001 0.000 0.207 77 K C 1.895 178.506 176.600 0.019 0.000 1.049 77 K CA 1.431 57.732 56.287 0.023 0.000 0.931 77 K CB -0.152 32.361 32.500 0.022 0.000 0.714 77 K HN 0.247 nan 8.250 nan 0.000 0.440 78 A N 1.135 123.978 122.820 0.039 0.000 1.902 78 A HA -0.142 4.179 4.320 0.001 0.000 0.217 78 A C 2.045 179.650 177.584 0.034 0.000 1.181 78 A CA 1.405 53.465 52.037 0.040 0.000 0.623 78 A CB -0.618 18.419 19.000 0.062 0.000 0.818 78 A HN 0.404 nan 8.150 nan 0.000 0.443 79 L N -0.225 121.026 121.223 0.045 0.000 2.017 79 L HA -0.030 4.311 4.340 0.001 0.000 0.208 79 L C 2.642 179.490 176.870 -0.036 0.000 1.073 79 L CA 2.245 57.096 54.840 0.018 0.000 0.745 79 L CB -0.820 41.211 42.059 -0.047 0.000 0.894 79 L HN 0.325 nan 8.230 nan 0.000 0.432 80 A N -0.698 122.098 122.820 -0.041 0.000 1.908 80 A HA -0.244 4.077 4.320 0.001 0.000 0.218 80 A C 2.178 179.704 177.584 -0.097 0.000 1.181 80 A CA 1.948 53.947 52.037 -0.064 0.000 0.627 80 A CB -0.698 18.279 19.000 -0.038 0.000 0.818 80 A HN 0.631 nan 8.150 nan 0.000 0.445 81 E N -0.600 119.559 120.200 -0.068 0.000 2.077 81 E HA -0.204 4.147 4.350 0.001 0.000 0.193 81 E C 2.114 178.642 176.600 -0.120 0.000 0.989 81 E CA 1.337 57.692 56.400 -0.076 0.000 0.800 81 E CB -0.135 29.542 29.700 -0.038 0.000 0.746 81 E HN 0.675 nan 8.360 nan 0.000 0.452 82 K N 0.829 121.162 120.400 -0.112 0.000 2.057 82 K HA -0.143 4.177 4.320 0.001 0.000 0.207 82 K C 2.127 178.459 176.600 -0.447 0.000 1.049 82 K CA 1.177 57.378 56.287 -0.143 0.000 0.931 82 K CB -0.085 32.411 32.500 -0.006 0.000 0.714 82 K HN 0.075 nan 8.250 nan 0.000 0.440 83 A N 0.669 123.137 122.820 -0.587 0.000 1.902 83 A HA -0.098 4.223 4.320 0.001 0.000 0.217 83 A C 2.236 179.379 177.584 -0.736 0.000 1.181 83 A CA 1.558 52.892 52.037 -1.171 0.000 0.623 83 A CB -0.629 18.069 19.000 -0.504 0.000 0.818 83 A HN 0.175 nan 8.150 nan 0.000 0.443 84 V N 0.159 119.856 119.914 -0.362 0.000 2.343 84 V HA -0.283 3.837 4.120 0.001 0.000 0.247 84 V C 2.668 178.645 176.094 -0.195 0.000 1.051 84 V CA 2.263 64.434 62.300 -0.215 0.000 1.036 84 V CB -0.826 30.919 31.823 -0.130 0.000 0.654 84 V HN 0.526 nan 8.190 nan 0.000 0.451 85 R N 0.044 120.426 120.500 -0.196 0.000 2.083 85 R HA -0.129 4.212 4.340 0.001 0.000 0.237 85 R C 2.500 178.734 176.300 -0.110 0.000 1.137 85 R CA 1.623 57.650 56.100 -0.122 0.000 0.951 85 R CB -0.978 29.271 30.300 -0.085 0.000 0.851 85 R HN 0.590 nan 8.270 nan 0.000 0.434 86 G N 1.260 109.940 108.800 -0.201 0.000 2.421 86 G HA2 -0.230 3.730 3.960 0.001 0.000 0.216 86 G HA3 -0.230 3.730 3.960 0.001 0.000 0.216 86 G C 1.489 176.432 174.900 0.072 0.000 1.171 86 G CA 0.498 45.606 45.100 0.015 0.000 0.775 86 G HN 0.122 nan 8.290 nan 0.000 0.543 87 L N -0.272 120.923 121.223 -0.047 0.000 2.046 87 L HA -0.054 4.287 4.340 0.001 0.000 0.208 87 L C 3.190 180.058 176.870 -0.003 0.000 1.077 87 L CA 1.007 55.868 54.840 0.034 0.000 0.747 87 L CB -0.315 41.734 42.059 -0.016 0.000 0.896 87 L HN 0.157 nan 8.230 nan 0.000 0.432 88 R N -0.274 120.202 120.500 -0.041 0.000 2.096 88 R HA -0.125 4.216 4.340 0.001 0.000 0.235 88 R C 2.429 178.710 176.300 -0.031 0.000 1.127 88 R CA 1.186 57.262 56.100 -0.040 0.000 0.968 88 R CB -0.240 30.031 30.300 -0.048 0.000 0.861 88 R HN 0.374 nan 8.270 nan 0.000 0.440 89 R N 0.151 120.640 120.500 -0.018 0.000 2.092 89 R HA -0.010 4.331 4.340 0.001 0.000 0.231 89 R C 2.306 178.590 176.300 -0.026 0.000 1.119 89 R CA 1.204 57.293 56.100 -0.018 0.000 0.970 89 R CB -0.261 30.037 30.300 -0.003 0.000 0.864 89 R HN 0.181 nan 8.270 nan 0.000 0.440 90 A N 1.322 124.142 122.820 0.000 0.000 1.930 90 A HA -0.166 4.155 4.320 0.001 0.000 0.217 90 A C 2.142 179.687 177.584 -0.064 0.000 1.175 90 A CA 1.182 53.208 52.037 -0.018 0.000 0.627 90 A CB -0.419 18.610 19.000 0.049 0.000 0.815 90 A HN 0.216 nan 8.150 nan 0.000 0.443 91 R N -0.255 120.219 120.500 -0.044 0.000 2.081 91 R HA -0.094 4.247 4.340 0.001 0.000 0.235 91 R C 2.235 178.485 176.300 -0.083 0.000 1.131 91 R CA 1.430 57.493 56.100 -0.062 0.000 0.960 91 R CB -0.411 29.860 30.300 -0.048 0.000 0.856 91 R HN 0.415 nan 8.270 nan 0.000 0.436 92 A N 0.651 123.429 122.820 -0.071 0.000 1.940 92 A HA -0.080 4.240 4.320 0.001 0.000 0.219 92 A C 2.171 179.696 177.584 -0.099 0.000 1.176 92 A CA 1.629 53.623 52.037 -0.072 0.000 0.631 92 A CB -0.592 18.374 19.000 -0.056 0.000 0.814 92 A HN 0.519 nan 8.150 nan 0.000 0.446 93 A N -2.064 120.679 122.820 -0.127 0.000 2.238 93 A HA 0.414 4.735 4.320 0.001 0.000 0.208 93 A C 1.713 179.127 177.584 -0.283 0.000 1.177 93 A CA 1.220 53.149 52.037 -0.180 0.000 0.804 93 A CB -0.845 18.045 19.000 -0.182 0.000 0.823 93 A HN 1.857 nan 8.150 nan 0.000 0.482 94 G N -1.995 106.652 108.800 -0.255 0.000 2.179 94 G HA2 -0.184 3.777 3.960 0.001 0.000 0.220 94 G HA3 -0.184 3.777 3.960 0.001 0.000 0.220 94 G C 0.148 174.803 174.900 -0.408 0.000 0.990 94 G CA -0.034 44.868 45.100 -0.329 0.000 0.646 94 G HN 0.703 nan 8.290 nan 0.000 0.517 95 V N 2.238 121.954 119.914 -0.330 0.000 2.508 95 V HA 0.356 4.477 4.120 0.001 0.000 0.281 95 V C 1.567 177.674 176.094 0.020 0.000 1.041 95 V CA -0.032 62.199 62.300 -0.116 0.000 1.016 95 V CB 1.333 33.147 31.823 -0.016 0.000 0.984 95 V HN 0.316 nan 8.190 nan 0.000 0.478 96 R N 2.286 122.869 120.500 0.137 0.000 2.225 96 R HA 0.231 4.571 4.340 0.001 0.000 0.194 96 R C 0.282 176.678 176.300 0.159 0.000 0.957 96 R CA 0.409 56.580 56.100 0.117 0.000 1.042 96 R CB 0.458 30.862 30.300 0.173 0.000 1.004 96 R HN 0.685 nan 8.270 nan 0.000 0.509 97 T N 1.443 116.120 114.554 0.205 0.000 2.923 97 T HA 0.580 4.930 4.350 0.001 0.000 0.311 97 T C -0.451 174.347 174.700 0.163 0.000 1.183 97 T CA -0.667 61.556 62.100 0.205 0.000 1.020 97 T CB 2.407 71.398 68.868 0.205 0.000 1.165 97 T HN 0.164 nan 8.240 nan 0.000 0.482 98 I N -1.254 119.395 120.570 0.131 0.000 2.785 98 I HA 0.896 5.066 4.170 0.001 0.000 0.302 98 I C -1.282 174.872 176.117 0.061 0.000 1.069 98 I CA -1.328 60.034 61.300 0.105 0.000 1.045 98 I CB 2.053 40.118 38.000 0.109 0.000 1.236 98 I HN 0.310 nan 8.210 nan 0.000 0.429 99 V N 3.566 123.496 119.914 0.026 0.000 2.328 99 V HA 0.257 4.378 4.120 0.001 0.000 0.278 99 V C -0.441 175.589 176.094 -0.107 0.000 1.021 99 V CA -0.217 62.067 62.300 -0.026 0.000 0.838 99 V CB 0.972 32.786 31.823 -0.014 0.000 0.999 99 V HN 0.737 nan 8.190 nan 0.000 0.447 100 D N 4.403 124.737 120.400 -0.110 0.000 2.365 100 D HA 0.113 4.754 4.640 0.001 0.000 0.237 100 D C 0.803 176.954 176.300 -0.248 0.000 1.190 100 D CA -0.267 53.622 54.000 -0.185 0.000 0.867 100 D CB 1.839 42.593 40.800 -0.077 0.000 1.050 100 D HN 0.461 nan 8.370 nan 0.000 0.491 101 V N 1.707 121.340 119.914 -0.467 0.000 3.416 101 V HA 0.210 4.331 4.120 0.001 0.000 0.334 101 V C 0.401 176.346 176.094 -0.249 0.000 1.271 101 V CA -0.512 61.537 62.300 -0.418 0.000 1.274 101 V CB -0.877 30.579 31.823 -0.612 0.000 1.153 101 V HN 0.274 nan 8.190 nan 0.000 0.433 102 S N 2.613 118.237 115.700 -0.127 0.000 2.481 102 S HA 0.430 4.901 4.470 0.001 0.000 0.276 102 S C 0.849 175.426 174.600 -0.038 0.000 1.247 102 S CA 0.175 58.360 58.200 -0.025 0.000 1.053 102 S CB 0.778 63.990 63.200 0.020 0.000 0.925 102 S HN 0.883 nan 8.310 nan 0.000 0.491 103 T N 0.680 115.220 114.554 -0.023 0.000 2.852 103 T HA 0.391 4.741 4.350 0.001 0.000 0.281 103 T C 1.007 175.809 174.700 0.171 0.000 0.993 103 T CA -0.778 61.380 62.100 0.098 0.000 0.933 103 T CB 0.092 69.063 68.868 0.172 0.000 1.187 103 T HN 0.370 nan 8.240 nan 0.000 0.559 104 F N 2.192 122.246 119.950 0.174 0.000 2.063 104 F HA -0.200 4.327 4.527 0.001 0.000 0.298 104 F C 2.144 178.032 175.800 0.147 0.000 1.109 104 F CA 2.474 60.597 58.000 0.206 0.000 1.212 104 F CB -0.565 38.636 39.000 0.336 0.000 0.973 104 F HN 0.741 nan 8.300 nan 0.000 0.480 105 D N 0.126 120.639 120.400 0.189 0.000 2.371 105 D HA -0.161 4.480 4.640 0.001 0.000 0.221 105 D C 1.874 178.174 176.300 0.000 0.000 0.986 105 D CA 1.005 55.053 54.000 0.080 0.000 0.899 105 D CB -0.846 40.156 40.800 0.337 0.000 0.902 105 D HN 0.503 nan 8.370 nan 0.000 0.530 106 I N 0.075 120.567 120.570 -0.130 0.000 3.793 106 I HA 0.136 4.307 4.170 0.001 0.000 0.315 106 I C 1.400 177.381 176.117 -0.226 0.000 1.275 106 I CA 0.397 61.474 61.300 -0.372 0.000 1.214 106 I CB -0.083 37.575 38.000 -0.569 0.000 1.018 106 I HN 0.159 nan 8.210 nan 0.000 0.439 107 G N 2.413 111.112 108.800 -0.167 0.000 2.147 107 G HA2 -0.324 3.637 3.960 0.001 0.000 0.244 107 G HA3 -0.324 3.637 3.960 0.001 0.000 0.244 107 G C 0.525 175.385 174.900 -0.066 0.000 1.005 107 G CA -0.023 45.006 45.100 -0.118 0.000 0.713 107 G HN 0.496 nan 8.290 nan 0.000 0.515 108 R N 0.569 121.039 120.500 -0.050 0.000 2.494 108 R HA 0.147 4.488 4.340 0.001 0.000 0.291 108 R C -0.977 175.334 176.300 0.018 0.000 0.953 108 R CA 0.731 56.827 56.100 -0.006 0.000 1.098 108 R CB 0.255 30.573 30.300 0.032 0.000 0.911 108 R HN 0.137 nan 8.270 nan 0.000 0.407 109 D N 5.194 125.602 120.400 0.014 0.000 2.438 109 D HA 0.038 4.679 4.640 0.001 0.000 0.257 109 D C 0.814 177.131 176.300 0.028 0.000 1.148 109 D CA -0.358 53.657 54.000 0.026 0.000 0.902 109 D CB 1.507 42.315 40.800 0.012 0.000 1.062 109 D HN 0.379 nan 8.370 nan 0.000 0.518 110 V N 3.324 123.263 119.914 0.042 0.000 2.469 110 V HA -0.232 3.889 4.120 0.001 0.000 0.251 110 V C 1.965 178.078 176.094 0.031 0.000 1.064 110 V CA 2.214 64.536 62.300 0.036 0.000 1.066 110 V CB -0.074 31.776 31.823 0.044 0.000 0.667 110 V HN 0.495 nan 8.190 nan 0.000 0.461 111 S N -0.149 115.571 115.700 0.033 0.000 2.368 111 S HA -0.189 4.281 4.470 0.001 0.000 0.225 111 S C 1.747 176.358 174.600 0.019 0.000 1.030 111 S CA 1.780 59.996 58.200 0.027 0.000 0.999 111 S CB -0.431 62.787 63.200 0.030 0.000 0.844 111 S HN 0.529 nan 8.310 nan 0.000 0.459 112 L N 1.443 122.675 121.223 0.014 0.000 2.046 112 L HA -0.028 4.313 4.340 0.001 0.000 0.208 112 L C 1.895 178.770 176.870 0.009 0.000 1.077 112 L CA 1.503 56.345 54.840 0.004 0.000 0.747 112 L CB -0.711 41.343 42.059 -0.009 0.000 0.896 112 L HN 0.149 nan 8.230 nan 0.000 0.432 113 L N -0.014 121.219 121.223 0.017 0.000 2.012 113 L HA -0.182 4.159 4.340 0.001 0.000 0.210 113 L C 2.715 179.598 176.870 0.021 0.000 1.073 113 L CA 2.153 57.008 54.840 0.024 0.000 0.748 113 L CB -1.559 40.515 42.059 0.025 0.000 0.891 113 L HN 0.360 nan 8.230 nan 0.000 0.431 114 A N -1.051 121.781 122.820 0.020 0.000 1.902 114 A HA -0.272 4.049 4.320 0.001 0.000 0.217 114 A C 2.353 179.944 177.584 0.012 0.000 1.181 114 A CA 1.860 53.908 52.037 0.019 0.000 0.623 114 A CB -0.629 18.384 19.000 0.021 0.000 0.818 114 A HN 0.524 nan 8.150 nan 0.000 0.443 115 E N 0.129 120.333 120.200 0.007 0.000 2.051 115 E HA -0.169 4.182 4.350 0.001 0.000 0.192 115 E C 2.000 178.593 176.600 -0.011 0.000 0.991 115 E CA 2.139 58.538 56.400 -0.001 0.000 0.799 115 E CB -0.234 29.464 29.700 -0.003 0.000 0.748 115 E HN 0.553 nan 8.360 nan 0.000 0.449 116 V N -0.990 118.916 119.914 -0.014 0.000 2.548 116 V HA -0.131 3.990 4.120 0.001 0.000 0.249 116 V C 2.355 178.437 176.094 -0.021 0.000 1.055 116 V CA 1.871 64.153 62.300 -0.030 0.000 1.065 116 V CB -0.503 31.293 31.823 -0.044 0.000 0.681 116 V HN 0.237 nan 8.190 nan 0.000 0.462 117 S N 0.746 116.445 115.700 -0.001 0.000 2.356 117 S HA -0.229 4.242 4.470 0.001 0.000 0.223 117 S C 2.262 176.853 174.600 -0.015 0.000 1.032 117 S CA 1.998 60.199 58.200 0.002 0.000 1.005 117 S CB -0.393 62.821 63.200 0.025 0.000 0.867 117 S HN 0.689 nan 8.310 nan 0.000 0.449 118 R N 0.579 121.073 120.500 -0.009 0.000 2.073 118 R HA 0.023 4.363 4.340 0.001 0.000 0.234 118 R C 2.709 178.994 176.300 -0.024 0.000 1.134 118 R CA 1.351 57.443 56.100 -0.013 0.000 0.952 118 R CB -0.648 29.649 30.300 -0.005 0.000 0.850 118 R HN 0.519 nan 8.270 nan 0.000 0.433 119 A N 0.902 123.706 122.820 -0.027 0.000 1.933 119 A HA -0.064 4.257 4.320 0.001 0.000 0.218 119 A C 2.191 179.749 177.584 -0.043 0.000 1.175 119 A CA 1.720 53.737 52.037 -0.034 0.000 0.628 119 A CB -0.412 18.566 19.000 -0.038 0.000 0.814 119 A HN 0.404 nan 8.150 nan 0.000 0.444 120 A N -1.745 121.046 122.820 -0.048 0.000 2.195 120 A HA 0.313 4.634 4.320 0.001 0.000 0.210 120 A C 0.767 178.316 177.584 -0.058 0.000 1.165 120 A CA 1.083 53.088 52.037 -0.054 0.000 0.806 120 A CB -0.160 18.806 19.000 -0.056 0.000 0.847 120 A HN 0.561 nan 8.150 nan 0.000 0.482 121 D N -1.054 119.307 120.400 -0.064 0.000 2.718 121 D HA -0.122 4.519 4.640 0.001 0.000 0.242 121 D C -0.856 175.359 176.300 -0.141 0.000 1.123 121 D CA 0.849 54.792 54.000 -0.095 0.000 0.690 121 D CB -1.591 39.158 40.800 -0.085 0.000 1.059 121 D HN 0.208 nan 8.370 nan 0.000 0.429 122 V N 2.882 122.723 119.914 -0.122 0.000 2.588 122 V HA 0.340 4.461 4.120 0.001 0.000 0.304 122 V C 0.406 176.446 176.094 -0.090 0.000 1.042 122 V CA -0.966 61.263 62.300 -0.118 0.000 0.877 122 V CB 1.946 33.756 31.823 -0.021 0.000 0.996 122 V HN 0.251 nan 8.190 nan 0.000 0.425 123 H N 4.705 123.793 119.070 0.030 0.000 2.815 123 H HA 0.472 5.028 4.556 0.001 0.000 0.350 123 H C -0.430 174.914 175.328 0.028 0.000 1.080 123 H CA 0.319 56.382 56.048 0.024 0.000 1.433 123 H CB 1.117 30.893 29.762 0.024 0.000 1.432 123 H HN 0.438 nan 8.280 nan 0.000 0.592 124 I N 2.928 123.587 120.570 0.148 0.000 2.478 124 I HA 0.116 4.286 4.170 0.001 0.000 0.287 124 I C -0.290 175.855 176.117 0.047 0.000 1.042 124 I CA -0.812 60.538 61.300 0.084 0.000 1.067 124 I CB 2.183 40.220 38.000 0.061 0.000 1.233 124 I HN 0.124 nan 8.210 nan 0.000 0.431 125 V N 5.476 125.401 119.914 0.020 0.000 2.407 125 V HA 0.563 4.684 4.120 0.001 0.000 0.278 125 V C 0.635 176.707 176.094 -0.037 0.000 1.037 125 V CA -0.359 61.930 62.300 -0.019 0.000 0.900 125 V CB 1.379 33.181 31.823 -0.035 0.000 0.983 125 V HN 0.845 nan 8.190 nan 0.000 0.459 126 A N 4.410 127.205 122.820 -0.041 0.000 2.264 126 A HA 0.932 5.252 4.320 0.001 0.000 0.304 126 A C 0.171 177.711 177.584 -0.074 0.000 1.100 126 A CA -0.015 51.994 52.037 -0.047 0.000 0.839 126 A CB 1.070 20.055 19.000 -0.025 0.000 1.121 126 A HN 1.242 nan 8.150 nan 0.000 0.496 127 A N -0.195 122.579 122.820 -0.076 0.000 2.386 127 A HA 0.832 5.153 4.320 0.001 0.000 0.308 127 A C 0.059 177.590 177.584 -0.088 0.000 1.128 127 A CA 0.020 51.996 52.037 -0.101 0.000 0.789 127 A CB 1.410 20.343 19.000 -0.113 0.000 1.325 127 A HN 1.184 nan 8.150 nan 0.000 0.437 128 T N -1.333 113.133 114.554 -0.147 0.000 2.718 128 T HA 0.791 5.142 4.350 0.001 0.000 0.267 128 T C 0.378 174.905 174.700 -0.288 0.000 0.957 128 T CA 0.925 62.914 62.100 -0.185 0.000 1.025 128 T CB 1.044 69.756 68.868 -0.259 0.000 1.355 128 T HN 2.706 nan 8.240 nan 0.000 0.572 129 G N -0.233 108.239 108.800 -0.546 0.000 2.526 129 G HA2 0.102 4.063 3.960 0.001 0.000 0.250 129 G HA3 0.102 4.063 3.960 0.001 0.000 0.250 129 G C -1.813 173.099 174.900 0.020 0.000 1.289 129 G CA -0.361 44.273 45.100 -0.777 0.000 0.947 129 G HN 0.906 nan 8.290 nan 0.000 0.517 130 L N -1.381 119.945 121.223 0.172 0.000 2.455 130 L HA 0.613 4.954 4.340 0.001 0.000 0.264 130 L C 0.028 177.125 176.870 0.378 0.000 0.968 130 L CA -0.750 54.330 54.840 0.399 0.000 0.827 130 L CB 2.185 44.565 42.059 0.536 0.000 1.317 130 L HN 0.840 nan 8.230 nan 0.000 0.407 131 W N 2.635 124.020 121.300 0.142 0.000 2.048 131 W HA 0.314 4.974 4.660 0.002 0.000 0.572 131 W C 0.844 177.427 176.519 0.107 0.000 1.941 131 W CA -0.097 57.270 57.345 0.037 0.000 2.181 131 W CB 0.311 29.685 29.460 -0.142 0.000 2.444 131 W HN 0.360 nan 8.180 nan 0.000 0.765 132 F N 0.910 120.591 119.950 -0.449 0.000 2.660 132 F HA 0.300 4.828 4.527 0.002 0.000 0.297 132 F C 0.187 175.810 175.800 -0.294 0.000 1.132 132 F CA -0.497 57.240 58.000 -0.438 0.000 1.372 132 F CB -0.623 37.985 39.000 -0.653 0.000 1.003 132 F HN 0.057 nan 8.300 nan 0.000 0.524 133 D N 1.943 122.328 120.400 -0.026 0.000 2.891 133 D HA 0.248 4.888 4.640 0.001 0.000 0.332 133 D C -2.770 173.646 176.300 0.193 0.000 1.369 133 D CA -2.055 52.004 54.000 0.099 0.000 0.827 133 D CB 0.481 41.352 40.800 0.119 0.000 1.141 133 D HN 0.054 nan 8.370 nan 0.000 0.464 134 P HA 0.229 nan 4.420 nan 0.000 0.271 134 P C -2.566 174.800 177.300 0.110 0.000 1.216 134 P CA -1.044 62.196 63.100 0.234 0.000 0.776 134 P CB 0.780 32.632 31.700 0.253 0.000 0.881 135 P HA 0.210 nan 4.420 nan 0.000 0.277 135 P C 1.254 178.540 177.300 -0.023 0.000 1.271 135 P CA -0.490 62.654 63.100 0.073 0.000 0.795 135 P CB 1.080 32.861 31.700 0.134 0.000 1.101 136 L N -0.020 121.181 121.223 -0.037 0.000 2.081 136 L HA -0.206 4.135 4.340 0.001 0.000 0.212 136 L C 2.516 179.324 176.870 -0.104 0.000 1.080 136 L CA 1.813 56.601 54.840 -0.087 0.000 0.754 136 L CB -0.950 41.079 42.059 -0.051 0.000 0.893 136 L HN 0.375 nan 8.230 nan 0.000 0.433 137 S N -0.982 114.681 115.700 -0.062 0.000 2.442 137 S HA -0.119 4.351 4.470 0.001 0.000 0.236 137 S C 1.888 176.407 174.600 -0.136 0.000 1.007 137 S CA 1.110 59.261 58.200 -0.082 0.000 0.965 137 S CB -0.037 63.129 63.200 -0.057 0.000 0.773 137 S HN 0.302 nan 8.310 nan 0.000 0.504 138 M N 0.682 120.197 119.600 -0.141 0.000 2.412 138 M HA 0.167 4.647 4.480 0.001 0.000 0.263 138 M C 1.931 178.044 176.300 -0.313 0.000 1.122 138 M CA 0.875 56.090 55.300 -0.142 0.000 1.179 138 M CB -0.914 31.677 32.600 -0.014 0.000 1.335 138 M HN 0.204 nan 8.290 nan 0.000 0.465 139 R N 0.558 120.677 120.500 -0.634 0.000 2.200 139 R HA -0.048 4.293 4.340 0.001 0.000 0.234 139 R C 1.728 177.633 176.300 -0.659 0.000 1.127 139 R CA 0.935 56.276 56.100 -1.265 0.000 0.989 139 R CB -0.465 29.380 30.300 -0.760 0.000 0.869 139 R HN 0.367 nan 8.270 nan 0.000 0.459 140 L N 0.660 121.707 121.223 -0.293 0.000 2.592 140 L HA 0.114 4.454 4.340 0.001 0.000 0.227 140 L C 0.561 177.419 176.870 -0.020 0.000 1.127 140 L CA -0.059 54.711 54.840 -0.118 0.000 0.884 140 L CB -0.100 41.906 42.059 -0.088 0.000 1.065 140 L HN 0.008 nan 8.230 nan 0.000 0.457 141 R N 0.942 121.459 120.500 0.029 0.000 2.560 141 R HA 0.244 4.585 4.340 0.001 0.000 0.270 141 R C 0.525 176.909 176.300 0.140 0.000 1.074 141 R CA -0.038 56.107 56.100 0.075 0.000 1.140 141 R CB 1.060 31.395 30.300 0.057 0.000 1.073 141 R HN 0.083 nan 8.270 nan 0.000 0.527 142 S N -0.633 115.107 115.700 0.066 0.000 2.669 142 S HA 0.079 4.549 4.470 0.001 0.000 0.270 142 S C 1.256 175.868 174.600 0.021 0.000 1.225 142 S CA -0.708 57.523 58.200 0.053 0.000 0.991 142 S CB 1.209 64.424 63.200 0.025 0.000 0.987 142 S HN 0.401 nan 8.310 nan 0.000 0.552 143 V N 1.018 120.935 119.914 0.005 0.000 2.469 143 V HA -0.157 3.963 4.120 0.001 0.000 0.251 143 V C 2.202 178.273 176.094 -0.038 0.000 1.064 143 V CA 2.488 64.772 62.300 -0.027 0.000 1.066 143 V CB -1.186 30.630 31.823 -0.013 0.000 0.667 143 V HN 0.929 nan 8.190 nan 0.000 0.461 144 E N 0.255 120.444 120.200 -0.018 0.000 2.047 144 E HA -0.195 4.155 4.350 0.001 0.000 0.191 144 E C 2.166 178.747 176.600 -0.031 0.000 0.987 144 E CA 1.855 58.245 56.400 -0.017 0.000 0.799 144 E CB -0.259 29.439 29.700 -0.002 0.000 0.752 144 E HN 0.745 nan 8.360 nan 0.000 0.449 145 E N 0.374 120.557 120.200 -0.029 0.000 2.051 145 E HA -0.151 4.199 4.350 0.001 0.000 0.192 145 E C 2.149 178.702 176.600 -0.079 0.000 0.991 145 E CA 0.827 57.207 56.400 -0.033 0.000 0.799 145 E CB -0.177 29.509 29.700 -0.024 0.000 0.748 145 E HN 0.192 nan 8.360 nan 0.000 0.449 146 L N 0.858 121.997 121.223 -0.141 0.000 2.079 146 L HA -0.207 4.134 4.340 0.001 0.000 0.210 146 L C 2.554 179.087 176.870 -0.562 0.000 1.081 146 L CA 1.248 55.869 54.840 -0.365 0.000 0.752 146 L CB -0.700 41.118 42.059 -0.402 0.000 0.896 146 L HN 0.213 nan 8.230 nan 0.000 0.433 147 T N -1.255 113.124 114.554 -0.291 0.000 2.720 147 T HA -0.205 4.146 4.350 0.001 0.000 0.268 147 T C 1.923 176.573 174.700 -0.082 0.000 1.037 147 T CA 1.072 63.076 62.100 -0.160 0.000 1.144 147 T CB -0.134 68.710 68.868 -0.040 0.000 0.864 147 T HN 0.292 nan 8.240 nan 0.000 0.444 148 Q N 0.165 119.940 119.800 -0.042 0.000 2.124 148 Q HA -0.012 4.329 4.340 0.001 0.000 0.202 148 Q C 2.028 178.071 176.000 0.071 0.000 0.977 148 Q CA 1.199 57.020 55.803 0.031 0.000 0.850 148 Q CB -0.670 28.097 28.738 0.049 0.000 0.901 148 Q HN 0.646 nan 8.270 nan 0.000 0.429 149 F N 0.308 120.186 119.950 -0.119 0.000 2.102 149 F HA -0.235 4.293 4.527 0.001 0.000 0.298 149 F C 1.704 177.569 175.800 0.109 0.000 1.105 149 F CA 0.964 58.931 58.000 -0.055 0.000 1.239 149 F CB -0.050 38.864 39.000 -0.143 0.000 0.991 149 F HN -0.065 nan 8.300 nan 0.000 0.474 150 F N 0.866 120.702 119.950 -0.190 0.000 2.134 150 F HA -0.160 4.368 4.527 0.001 0.000 0.299 150 F C 2.209 177.860 175.800 -0.248 0.000 1.097 150 F CA 0.910 58.732 58.000 -0.295 0.000 1.264 150 F CB -1.530 37.411 39.000 -0.097 0.000 1.001 150 F HN 0.017 nan 8.300 nan 0.000 0.479 151 L N -0.419 120.821 121.223 0.028 0.000 2.083 151 L HA -0.203 4.138 4.340 0.001 0.000 0.209 151 L C 2.735 179.526 176.870 -0.131 0.000 1.083 151 L CA 1.269 56.075 54.840 -0.056 0.000 0.752 151 L CB -0.584 41.459 42.059 -0.027 0.000 0.899 151 L HN 0.069 nan 8.230 nan 0.000 0.433 152 R N 0.666 121.144 120.500 -0.037 0.000 2.080 152 R HA -0.207 4.134 4.340 0.001 0.000 0.236 152 R C 2.046 178.319 176.300 -0.046 0.000 1.137 152 R CA 1.946 58.088 56.100 0.070 0.000 0.943 152 R CB -0.197 30.180 30.300 0.127 0.000 0.846 152 R HN 0.435 nan 8.270 nan 0.000 0.431 153 E N -0.022 120.073 120.200 -0.175 0.000 2.150 153 E HA -0.169 4.182 4.350 0.001 0.000 0.193 153 E C 2.080 178.598 176.600 -0.137 0.000 0.985 153 E CA 1.291 57.593 56.400 -0.164 0.000 0.814 153 E CB -0.036 29.494 29.700 -0.284 0.000 0.752 153 E HN 0.487 nan 8.360 nan 0.000 0.466 154 I N 0.740 121.210 120.570 -0.167 0.000 2.400 154 I HA -0.213 3.958 4.170 0.001 0.000 0.248 154 I C 2.375 178.367 176.117 -0.207 0.000 1.109 154 I CA 0.962 62.161 61.300 -0.167 0.000 1.425 154 I CB -0.030 37.873 38.000 -0.161 0.000 1.094 154 I HN 0.013 nan 8.210 nan 0.000 0.425 155 Q N -0.520 119.075 119.800 -0.341 0.000 2.165 155 Q HA -0.039 4.302 4.340 0.001 0.000 0.197 155 Q C 1.797 177.492 176.000 -0.508 0.000 0.952 155 Q CA 1.275 56.754 55.803 -0.540 0.000 0.848 155 Q CB 0.090 28.266 28.738 -0.937 0.000 0.931 155 Q HN 0.541 nan 8.270 nan 0.000 0.470 156 Y N -0.406 119.881 120.300 -0.021 0.000 2.464 156 Y HA 0.360 4.911 4.550 0.001 0.000 0.288 156 Y C 1.073 176.969 175.900 -0.007 0.000 1.133 156 Y CA 0.100 58.194 58.100 -0.010 0.000 1.223 156 Y CB 0.986 39.445 38.460 -0.001 0.000 1.187 156 Y HN 0.100 nan 8.280 nan 0.000 0.539 157 G N 0.299 109.160 108.800 0.103 0.000 2.321 157 G HA2 0.111 4.071 3.960 0.001 0.000 0.339 157 G HA3 0.111 4.071 3.960 0.001 0.000 0.339 157 G C -1.564 173.374 174.900 0.062 0.000 1.518 157 G CA -1.188 43.949 45.100 0.062 0.000 0.994 157 G HN 0.016 nan 8.290 nan 0.000 0.668 158 I N 2.036 122.635 120.570 0.049 0.000 2.441 158 I HA 0.335 4.506 4.170 0.001 0.000 0.287 158 I C 1.131 177.310 176.117 0.103 0.000 1.049 158 I CA 0.381 61.726 61.300 0.074 0.000 1.381 158 I CB 0.805 38.844 38.000 0.065 0.000 1.409 158 I HN 0.958 nan 8.210 nan 0.000 0.523 159 E N 3.467 123.753 120.200 0.142 0.000 3.374 159 E HA -0.318 4.032 4.350 0.001 0.000 0.319 159 E C -0.028 176.633 176.600 0.102 0.000 1.492 159 E CA 1.686 58.168 56.400 0.136 0.000 1.899 159 E CB -0.431 29.347 29.700 0.131 0.000 1.894 159 E HN 0.929 nan 8.360 nan 0.000 0.484 160 D N 0.163 120.613 120.400 0.084 0.000 2.525 160 D HA 0.048 4.689 4.640 0.001 0.000 0.229 160 D C 0.935 177.269 176.300 0.056 0.000 1.202 160 D CA 0.858 54.898 54.000 0.065 0.000 0.828 160 D CB -0.185 40.648 40.800 0.055 0.000 1.008 160 D HN 0.419 nan 8.370 nan 0.000 0.493 161 T N -4.619 109.971 114.554 0.060 0.000 3.057 161 T HA 0.308 4.659 4.350 0.001 0.000 0.254 161 T C 1.838 176.565 174.700 0.045 0.000 1.094 161 T CA 0.617 62.746 62.100 0.049 0.000 1.088 161 T CB -0.099 68.798 68.868 0.048 0.000 0.934 161 T HN 0.326 nan 8.240 nan 0.000 0.497 162 G N 1.561 110.393 108.800 0.052 0.000 2.184 162 G HA2 -0.229 3.732 3.960 0.001 0.000 0.264 162 G HA3 -0.229 3.732 3.960 0.001 0.000 0.264 162 G C 0.081 175.002 174.900 0.035 0.000 0.975 162 G CA 0.179 45.308 45.100 0.049 0.000 0.642 162 G HN 0.666 nan 8.290 nan 0.000 0.536 163 I N 1.775 122.364 120.570 0.032 0.000 2.363 163 I HA 0.256 4.427 4.170 0.001 0.000 0.292 163 I C 1.026 177.145 176.117 0.004 0.000 1.075 163 I CA -0.336 60.975 61.300 0.018 0.000 1.333 163 I CB 0.503 38.516 38.000 0.021 0.000 1.415 163 I HN 0.064 nan 8.210 nan 0.000 0.502 164 R N 5.206 125.698 120.500 -0.014 0.000 2.308 164 R HA 0.568 4.909 4.340 0.001 0.000 0.305 164 R C 0.044 176.309 176.300 -0.059 0.000 1.053 164 R CA -0.567 55.508 56.100 -0.042 0.000 0.957 164 R CB 1.133 31.399 30.300 -0.056 0.000 1.022 164 R HN 0.708 nan 8.270 nan 0.000 0.461 165 A N 1.644 124.416 122.820 -0.079 0.000 2.462 165 A HA 0.324 4.645 4.320 0.001 0.000 0.243 165 A C 1.080 178.597 177.584 -0.111 0.000 1.076 165 A CA 0.044 52.026 52.037 -0.093 0.000 0.773 165 A CB 0.440 19.371 19.000 -0.115 0.000 1.010 165 A HN 0.935 nan 8.150 nan 0.000 0.493 166 G N 0.464 109.196 108.800 -0.113 0.000 3.324 166 G HA2 0.457 4.418 3.960 0.001 0.000 0.251 166 G HA3 0.457 4.418 3.960 0.001 0.000 0.251 166 G C 0.014 174.809 174.900 -0.174 0.000 1.072 166 G CA 0.316 45.336 45.100 -0.134 0.000 0.787 166 G HN 0.735 nan 8.290 nan 0.000 0.537 167 I N -0.422 120.044 120.570 -0.174 0.000 2.947 167 I HA 0.473 4.644 4.170 0.001 0.000 0.301 167 I C -1.719 174.282 176.117 -0.193 0.000 1.453 167 I CA -1.312 59.867 61.300 -0.203 0.000 0.984 167 I CB 2.638 40.533 38.000 -0.174 0.000 1.333 167 I HN -0.157 nan 8.210 nan 0.000 0.475 168 I N 4.857 125.305 120.570 -0.203 0.000 2.362 168 I HA 0.375 4.546 4.170 0.001 0.000 0.289 168 I C -0.749 175.267 176.117 -0.168 0.000 0.994 168 I CA -0.588 60.566 61.300 -0.243 0.000 1.158 168 I CB 1.596 39.437 38.000 -0.265 0.000 1.315 168 I HN 0.313 nan 8.210 nan 0.000 0.451 169 K N 7.179 127.485 120.400 -0.156 0.000 2.185 169 K HA 0.719 5.040 4.320 0.001 0.000 0.269 169 K C -0.934 175.680 176.600 0.023 0.000 0.987 169 K CA -0.515 55.750 56.287 -0.038 0.000 0.865 169 K CB 1.416 33.897 32.500 -0.032 0.000 1.090 169 K HN 0.457 nan 8.250 nan 0.000 0.450 170 V N -0.127 119.869 119.914 0.136 0.000 3.141 170 V HA 1.029 5.149 4.120 0.001 0.000 0.312 170 V C -1.047 175.214 176.094 0.279 0.000 1.157 170 V CA -0.655 61.765 62.300 0.200 0.000 1.041 170 V CB 1.431 33.386 31.823 0.220 0.000 1.071 170 V HN 0.958 nan 8.190 nan 0.000 0.441 171 A N 0.998 123.974 122.820 0.259 0.000 2.605 171 A HA 0.976 5.297 4.320 0.001 0.000 0.294 171 A C -0.435 177.255 177.584 0.177 0.000 1.062 171 A CA -0.000 52.210 52.037 0.289 0.000 0.682 171 A CB 1.617 20.805 19.000 0.313 0.000 1.278 171 A HN 2.292 nan 8.150 nan 0.000 0.410 172 T N -1.742 112.913 114.554 0.169 0.000 2.883 172 T HA 0.780 5.131 4.350 0.001 0.000 0.301 172 T C -0.495 174.229 174.700 0.040 0.000 1.158 172 T CA 0.021 62.154 62.100 0.055 0.000 1.007 172 T CB 1.686 70.567 68.868 0.023 0.000 1.186 172 T HN 1.844 nan 8.240 nan 0.000 0.499 173 T N -1.292 113.204 114.554 -0.097 0.000 3.428 173 T HA 0.683 5.034 4.350 0.001 0.000 0.301 173 T C 0.734 175.369 174.700 -0.108 0.000 1.323 173 T CA 0.112 62.127 62.100 -0.142 0.000 1.647 173 T CB -0.181 68.426 68.868 -0.434 0.000 0.871 173 T HN 2.149 nan 8.240 nan 0.000 0.627 174 G N 1.937 110.705 108.800 -0.054 0.000 2.472 174 G HA2 -0.107 3.854 3.960 0.001 0.000 0.205 174 G HA3 -0.107 3.854 3.960 0.001 0.000 0.205 174 G C -0.546 174.322 174.900 -0.052 0.000 1.270 174 G CA -0.598 44.467 45.100 -0.058 0.000 0.974 174 G HN 0.780 nan 8.290 nan 0.000 0.542 175 K N 0.866 121.235 120.400 -0.052 0.000 2.524 175 K HA 0.459 4.780 4.320 0.001 0.000 0.279 175 K C 0.941 177.515 176.600 -0.043 0.000 0.993 175 K CA 0.396 56.655 56.287 -0.046 0.000 1.030 175 K CB 0.144 32.620 32.500 -0.040 0.000 0.891 175 K HN 1.456 nan 8.250 nan 0.000 0.488 176 A N 3.513 126.307 122.820 -0.043 0.000 2.445 176 A HA 0.133 4.454 4.320 0.001 0.000 0.242 176 A C 0.339 177.912 177.584 -0.019 0.000 1.075 176 A CA 0.007 52.022 52.037 -0.036 0.000 0.777 176 A CB 0.068 19.035 19.000 -0.054 0.000 1.013 176 A HN 0.880 nan 8.150 nan 0.000 0.493 177 T N 0.140 114.696 114.554 0.004 0.000 2.816 177 T HA 0.410 4.761 4.350 0.001 0.000 0.282 177 T C -1.916 172.810 174.700 0.043 0.000 0.993 177 T CA -1.256 60.864 62.100 0.032 0.000 0.994 177 T CB 0.505 69.417 68.868 0.074 0.000 1.025 177 T HN 0.326 nan 8.240 nan 0.000 0.529 178 P HA -0.055 nan 4.420 nan 0.000 0.215 178 P C 1.255 178.612 177.300 0.096 0.000 1.153 178 P CA 0.774 63.913 63.100 0.065 0.000 0.853 178 P CB -0.159 31.586 31.700 0.074 0.000 0.788 179 F N 0.651 120.611 119.950 0.018 0.000 2.134 179 F HA -0.190 4.337 4.527 0.001 0.000 0.299 179 F C 2.199 178.030 175.800 0.052 0.000 1.097 179 F CA 1.652 59.673 58.000 0.034 0.000 1.264 179 F CB -0.876 38.147 39.000 0.039 0.000 1.001 179 F HN -0.101 nan 8.300 nan 0.000 0.479 180 Q N 0.006 119.774 119.800 -0.054 0.000 2.124 180 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 180 Q C 2.091 178.000 176.000 -0.151 0.000 0.977 180 Q CA 1.930 57.661 55.803 -0.121 0.000 0.850 180 Q CB -0.318 28.419 28.738 -0.002 0.000 0.901 180 Q HN 0.567 nan 8.270 nan 0.000 0.429 181 E N 0.502 120.637 120.200 -0.109 0.000 2.110 181 E HA -0.174 4.177 4.350 0.001 0.000 0.193 181 E C 2.031 178.562 176.600 -0.115 0.000 0.988 181 E CA 0.826 57.164 56.400 -0.103 0.000 0.804 181 E CB -0.087 29.575 29.700 -0.064 0.000 0.745 181 E HN 0.361 nan 8.360 nan 0.000 0.458 182 L N 0.532 121.656 121.223 -0.165 0.000 2.046 182 L HA -0.179 4.162 4.340 0.001 0.000 0.208 182 L C 2.528 179.295 176.870 -0.171 0.000 1.077 182 L CA 0.798 55.538 54.840 -0.166 0.000 0.747 182 L CB -0.597 41.344 42.059 -0.198 0.000 0.896 182 L HN 0.061 nan 8.230 nan 0.000 0.432 183 V N 0.036 119.771 119.914 -0.299 0.000 2.287 183 V HA -0.298 3.823 4.120 0.001 0.000 0.248 183 V C 2.475 178.652 176.094 0.139 0.000 1.053 183 V CA 1.639 63.901 62.300 -0.064 0.000 1.027 183 V CB -0.409 31.353 31.823 -0.101 0.000 0.646 183 V HN 0.253 nan 8.190 nan 0.000 0.447 184 L N -0.346 120.904 121.223 0.045 0.000 2.083 184 L HA -0.174 4.167 4.340 0.001 0.000 0.209 184 L C 2.411 179.405 176.870 0.207 0.000 1.083 184 L CA 1.901 56.809 54.840 0.112 0.000 0.752 184 L CB -0.736 41.195 42.059 -0.213 0.000 0.899 184 L HN 0.274 nan 8.230 nan 0.000 0.433 185 K N -0.910 119.545 120.400 0.092 0.000 2.057 185 K HA -0.103 4.218 4.320 0.001 0.000 0.207 185 K C 2.160 178.851 176.600 0.152 0.000 1.049 185 K CA 1.315 57.669 56.287 0.111 0.000 0.931 185 K CB -0.364 32.161 32.500 0.042 0.000 0.714 185 K HN 0.319 nan 8.250 nan 0.000 0.440 186 A N 1.568 124.479 122.820 0.152 0.000 1.930 186 A HA -0.079 4.242 4.320 0.001 0.000 0.217 186 A C 2.372 180.173 177.584 0.361 0.000 1.175 186 A CA 1.694 53.835 52.037 0.173 0.000 0.627 186 A CB -0.606 18.393 19.000 -0.002 0.000 0.815 186 A HN 0.325 nan 8.150 nan 0.000 0.443 187 A N 0.026 123.113 122.820 0.446 0.000 1.902 187 A HA 0.139 4.460 4.320 0.001 0.000 0.217 187 A C 2.513 180.205 177.584 0.180 0.000 1.181 187 A CA 2.116 54.335 52.037 0.303 0.000 0.623 187 A CB -1.046 18.090 19.000 0.227 0.000 0.818 187 A HN 1.044 nan 8.150 nan 0.000 0.443 188 A N -0.120 122.839 122.820 0.231 0.000 1.883 188 A HA -0.193 4.128 4.320 0.001 0.000 0.217 188 A C 2.253 179.893 177.584 0.093 0.000 1.186 188 A CA 1.654 53.782 52.037 0.151 0.000 0.624 188 A CB -0.490 18.665 19.000 0.258 0.000 0.822 188 A HN 0.566 nan 8.150 nan 0.000 0.444 189 R N -0.599 119.968 120.500 0.112 0.000 2.081 189 R HA -0.059 4.282 4.340 0.001 0.000 0.235 189 R C 2.474 178.810 176.300 0.059 0.000 1.131 189 R CA 1.206 57.350 56.100 0.074 0.000 0.960 189 R CB -0.466 29.875 30.300 0.068 0.000 0.856 189 R HN 0.514 nan 8.270 nan 0.000 0.436 190 A N 0.320 123.198 122.820 0.097 0.000 1.930 190 A HA -0.170 4.151 4.320 0.001 0.000 0.217 190 A C 2.192 179.776 177.584 -0.000 0.000 1.175 190 A CA 1.758 53.836 52.037 0.069 0.000 0.627 190 A CB -0.568 18.527 19.000 0.159 0.000 0.815 190 A HN 0.303 nan 8.150 nan 0.000 0.443 191 S N -0.452 115.239 115.700 -0.016 0.000 2.356 191 S HA -0.092 4.379 4.470 0.001 0.000 0.223 191 S C 1.930 176.493 174.600 -0.061 0.000 1.032 191 S CA 1.410 59.567 58.200 -0.072 0.000 1.005 191 S CB -0.478 62.655 63.200 -0.111 0.000 0.867 191 S HN 0.487 nan 8.310 nan 0.000 0.449 192 L N 0.885 122.090 121.223 -0.031 0.000 2.131 192 L HA -0.066 4.275 4.340 0.001 0.000 0.210 192 L C 2.804 179.656 176.870 -0.029 0.000 1.092 192 L CA 1.236 56.059 54.840 -0.027 0.000 0.759 192 L CB -0.515 41.542 42.059 -0.004 0.000 0.903 192 L HN 0.428 nan 8.230 nan 0.000 0.435 193 A N -0.674 122.131 122.820 -0.025 0.000 2.016 193 A HA -0.115 4.205 4.320 0.001 0.000 0.217 193 A C 2.292 179.846 177.584 -0.050 0.000 1.162 193 A CA 1.717 53.736 52.037 -0.030 0.000 0.662 193 A CB -0.466 18.522 19.000 -0.021 0.000 0.812 193 A HN 0.484 nan 8.150 nan 0.000 0.450 194 T N -6.130 108.385 114.554 -0.066 0.000 2.990 194 T HA 0.424 4.775 4.350 0.001 0.000 0.249 194 T C 1.497 176.140 174.700 -0.095 0.000 1.039 194 T CA 1.142 63.190 62.100 -0.087 0.000 1.036 194 T CB 0.393 69.197 68.868 -0.106 0.000 0.994 194 T HN 1.602 nan 8.240 nan 0.000 0.489 195 G N 0.997 109.739 108.800 -0.097 0.000 2.199 195 G HA2 -0.236 3.725 3.960 0.001 0.000 0.254 195 G HA3 -0.236 3.725 3.960 0.001 0.000 0.254 195 G C 0.128 174.937 174.900 -0.152 0.000 0.982 195 G CA 0.004 45.038 45.100 -0.110 0.000 0.632 195 G HN 0.709 nan 8.290 nan 0.000 0.529 196 V N 3.767 123.582 119.914 -0.165 0.000 2.715 196 V HA 0.402 4.523 4.120 0.001 0.000 0.299 196 V C -0.789 175.143 176.094 -0.271 0.000 1.054 196 V CA -0.627 61.542 62.300 -0.217 0.000 1.077 196 V CB 1.341 33.050 31.823 -0.190 0.000 0.972 196 V HN 0.291 nan 8.190 nan 0.000 0.484 197 P HA 0.300 nan 4.420 nan 0.000 0.276 197 P C -1.037 176.059 177.300 -0.339 0.000 1.261 197 P CA -0.245 62.559 63.100 -0.493 0.000 0.800 197 P CB 1.081 32.068 31.700 -1.189 0.000 1.066 198 V N -0.103 119.679 119.914 -0.220 0.000 2.628 198 V HA 0.569 4.690 4.120 0.001 0.000 0.306 198 V C 0.378 176.512 176.094 0.067 0.000 1.045 198 V CA -0.231 61.986 62.300 -0.139 0.000 0.905 198 V CB 1.662 33.303 31.823 -0.304 0.000 0.997 198 V HN 0.661 nan 8.190 nan 0.000 0.436 199 T N 2.467 117.071 114.554 0.083 0.000 2.900 199 T HA 0.730 5.081 4.350 0.001 0.000 0.295 199 T C -0.480 174.297 174.700 0.128 0.000 1.044 199 T CA -0.092 62.099 62.100 0.152 0.000 0.995 199 T CB 1.673 70.646 68.868 0.175 0.000 1.072 199 T HN 1.079 nan 8.240 nan 0.000 0.473 200 T N 0.846 115.477 114.554 0.128 0.000 2.916 200 T HA 0.582 4.933 4.350 0.001 0.000 0.292 200 T C -0.921 173.833 174.700 0.090 0.000 1.064 200 T CA -0.745 61.456 62.100 0.167 0.000 1.011 200 T CB 1.423 70.416 68.868 0.209 0.000 1.152 200 T HN 0.766 nan 8.240 nan 0.000 0.510 201 H N 0.543 119.672 119.070 0.099 0.000 2.458 201 H HA 0.667 5.223 4.556 0.001 0.000 0.330 201 H C 0.009 175.422 175.328 0.141 0.000 1.111 201 H CA -0.149 55.953 56.048 0.090 0.000 1.245 201 H CB 1.229 31.278 29.762 0.479 0.000 1.456 201 H HN 1.056 nan 8.280 nan 0.000 0.488 202 T N 1.516 116.117 114.554 0.079 0.000 2.865 202 T HA 0.656 5.007 4.350 0.001 0.000 0.294 202 T C -0.687 174.084 174.700 0.119 0.000 1.119 202 T CA -0.805 61.388 62.100 0.156 0.000 1.007 202 T CB 1.380 70.305 68.868 0.095 0.000 1.225 202 T HN 0.694 nan 8.240 nan 0.000 0.515 203 A N 0.632 123.510 122.820 0.097 0.000 2.690 203 A HA 0.750 5.071 4.320 0.001 0.000 0.342 203 A C 1.537 179.120 177.584 -0.003 0.000 1.410 203 A CA -0.215 51.848 52.037 0.044 0.000 0.958 203 A CB -0.624 18.381 19.000 0.008 0.000 1.153 203 A HN 1.348 nan 8.150 nan 0.000 0.497 204 A N 1.559 124.395 122.820 0.025 0.000 1.948 204 A HA -0.149 4.171 4.320 0.001 0.000 0.220 204 A C 2.496 179.982 177.584 -0.162 0.000 1.177 204 A CA 2.428 54.478 52.037 0.021 0.000 0.636 204 A CB -0.777 18.308 19.000 0.143 0.000 0.815 204 A HN 1.453 nan 8.150 nan 0.000 0.449 205 S N -0.015 115.626 115.700 -0.097 0.000 2.374 205 S HA -0.284 4.187 4.470 0.001 0.000 0.227 205 S C 1.698 176.182 174.600 -0.193 0.000 1.037 205 S CA 1.571 59.697 58.200 -0.122 0.000 1.024 205 S CB -0.662 62.501 63.200 -0.062 0.000 0.861 205 S HN 0.736 nan 8.310 nan 0.000 0.456 206 Q N 0.599 120.297 119.800 -0.170 0.000 2.444 206 Q HA 0.254 4.595 4.340 0.001 0.000 0.206 206 Q C -0.090 175.757 176.000 -0.255 0.000 0.948 206 Q CA -0.061 55.640 55.803 -0.171 0.000 0.946 206 Q CB -0.114 28.563 28.738 -0.102 0.000 1.027 206 Q HN 0.506 nan 8.270 nan 0.000 0.513 207 R N 0.214 120.428 120.500 -0.476 0.000 3.651 207 R HA -0.195 4.146 4.340 0.001 0.000 0.292 207 R C -0.205 175.994 176.300 -0.168 0.000 1.161 207 R CA 0.515 56.198 56.100 -0.694 0.000 0.787 207 R CB -1.697 28.268 30.300 -0.557 0.000 1.249 207 R HN 0.312 nan 8.270 nan 0.000 0.476 208 D N -0.001 120.356 120.400 -0.073 0.000 2.172 208 D HA -0.152 4.489 4.640 0.001 0.000 0.196 208 D C 2.028 178.357 176.300 0.048 0.000 0.999 208 D CA 1.878 55.880 54.000 0.004 0.000 0.856 208 D CB -0.390 40.430 40.800 0.034 0.000 0.934 208 D HN 0.617 nan 8.370 nan 0.000 0.453 209 G N 0.551 109.457 108.800 0.177 0.000 2.475 209 G HA2 -0.308 3.652 3.960 0.001 0.000 0.220 209 G HA3 -0.308 3.652 3.960 0.001 0.000 0.220 209 G C 1.469 176.359 174.900 -0.017 0.000 1.125 209 G CA 0.859 46.013 45.100 0.090 0.000 0.755 209 G HN 0.350 nan 8.290 nan 0.000 0.565 210 E N -0.354 119.900 120.200 0.090 0.000 2.072 210 E HA -0.139 4.212 4.350 0.001 0.000 0.190 210 E C 2.427 178.998 176.600 -0.049 0.000 0.982 210 E CA 0.969 57.374 56.400 0.008 0.000 0.803 210 E CB -0.190 29.548 29.700 0.064 0.000 0.755 210 E HN 0.612 nan 8.360 nan 0.000 0.453 211 Q N 1.020 120.789 119.800 -0.051 0.000 2.119 211 Q HA -0.217 4.124 4.340 0.001 0.000 0.201 211 Q C 2.081 177.983 176.000 -0.163 0.000 0.972 211 Q CA 1.258 57.010 55.803 -0.085 0.000 0.847 211 Q CB 0.127 28.820 28.738 -0.075 0.000 0.903 211 Q HN 0.313 nan 8.270 nan 0.000 0.433 212 Q N -0.087 119.597 119.800 -0.194 0.000 2.050 212 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 212 Q C 2.155 177.897 176.000 -0.431 0.000 0.980 212 Q CA 1.443 57.008 55.803 -0.396 0.000 0.840 212 Q CB -0.237 28.375 28.738 -0.211 0.000 0.898 212 Q HN 0.493 nan 8.270 nan 0.000 0.424 213 A N 1.251 123.965 122.820 -0.177 0.000 1.908 213 A HA -0.182 4.138 4.320 0.001 0.000 0.218 213 A C 2.317 179.958 177.584 0.095 0.000 1.181 213 A CA 1.720 53.747 52.037 -0.018 0.000 0.627 213 A CB -0.854 17.956 19.000 -0.316 0.000 0.818 213 A HN 0.415 nan 8.150 nan 0.000 0.445 214 A N -0.034 122.774 122.820 -0.019 0.000 1.877 214 A HA -0.103 4.218 4.320 0.001 0.000 0.216 214 A C 2.136 179.712 177.584 -0.012 0.000 1.186 214 A CA 1.607 53.647 52.037 0.004 0.000 0.620 214 A CB -0.634 18.354 19.000 -0.021 0.000 0.822 214 A HN 0.504 nan 8.150 nan 0.000 0.443 215 I N -1.615 118.880 120.570 -0.125 0.000 2.179 215 I HA -0.255 3.916 4.170 0.001 0.000 0.242 215 I C 2.361 178.457 176.117 -0.033 0.000 1.088 215 I CA 1.431 62.645 61.300 -0.145 0.000 1.357 215 I CB -0.463 37.368 38.000 -0.282 0.000 1.051 215 I HN 0.368 nan 8.210 nan 0.000 0.409 216 F N 1.083 121.072 119.950 0.064 0.000 2.095 216 F HA -0.231 4.297 4.527 0.001 0.000 0.298 216 F C 2.563 178.415 175.800 0.087 0.000 1.104 216 F CA 1.175 59.228 58.000 0.088 0.000 1.232 216 F CB -0.367 38.718 39.000 0.142 0.000 0.987 216 F HN 0.068 nan 8.300 nan 0.000 0.475 217 E N 0.020 120.400 120.200 0.299 0.000 2.204 217 E HA -0.176 4.175 4.350 0.001 0.000 0.194 217 E C 2.187 178.860 176.600 0.121 0.000 0.989 217 E CA 1.315 57.829 56.400 0.190 0.000 0.824 217 E CB -0.225 29.580 29.700 0.175 0.000 0.756 217 E HN 0.359 nan 8.360 nan 0.000 0.477 218 S N 0.801 116.561 115.700 0.101 0.000 2.474 218 S HA -0.109 4.362 4.470 0.001 0.000 0.235 218 S C 1.582 176.224 174.600 0.070 0.000 0.997 218 S CA 0.764 59.004 58.200 0.065 0.000 0.949 218 S CB 0.064 63.288 63.200 0.039 0.000 0.766 218 S HN 0.113 nan 8.310 nan 0.000 0.517 219 E N 0.560 120.821 120.200 0.101 0.000 2.474 219 E HA 0.232 4.583 4.350 0.001 0.000 0.195 219 E C 1.274 177.922 176.600 0.081 0.000 1.039 219 E CA 0.504 56.961 56.400 0.094 0.000 0.881 219 E CB 0.292 30.068 29.700 0.128 0.000 0.970 219 E HN 0.706 nan 8.360 nan 0.000 0.486 220 G N 1.775 110.623 108.800 0.081 0.000 2.141 220 G HA2 -0.272 3.688 3.960 0.001 0.000 0.242 220 G HA3 -0.272 3.688 3.960 0.001 0.000 0.242 220 G C 0.071 174.999 174.900 0.047 0.000 0.982 220 G CA 0.327 45.460 45.100 0.055 0.000 0.662 220 G HN 0.236 nan 8.290 nan 0.000 0.527 221 L N 2.231 123.498 121.223 0.073 0.000 2.380 221 L HA 0.657 4.997 4.340 0.001 0.000 0.273 221 L C 0.774 177.644 176.870 -0.000 0.000 1.138 221 L CA -0.076 54.783 54.840 0.031 0.000 0.832 221 L CB 1.058 43.138 42.059 0.035 0.000 1.124 221 L HN 0.173 nan 8.230 nan 0.000 0.454 222 S N 6.700 122.370 115.700 -0.050 0.000 2.548 222 S HA 0.222 4.693 4.470 0.001 0.000 0.277 222 S C -1.716 172.782 174.600 -0.170 0.000 1.315 222 S CA -0.720 57.423 58.200 -0.094 0.000 1.050 222 S CB 0.866 64.014 63.200 -0.087 0.000 0.918 222 S HN 0.583 nan 8.310 nan 0.000 0.497 223 P HA -0.123 nan 4.420 nan 0.000 0.219 223 P C 1.517 178.555 177.300 -0.437 0.000 1.146 223 P CA 1.010 63.642 63.100 -0.781 0.000 0.808 223 P CB -0.095 30.747 31.700 -1.429 0.000 0.779 224 S N -1.306 114.246 115.700 -0.246 0.000 2.474 224 S HA -0.070 4.401 4.470 0.001 0.000 0.235 224 S C 1.708 176.316 174.600 0.014 0.000 0.997 224 S CA 0.661 58.802 58.200 -0.099 0.000 0.949 224 S CB -0.677 62.479 63.200 -0.074 0.000 0.766 224 S HN 0.038 nan 8.310 nan 0.000 0.517 225 R N 0.714 121.196 120.500 -0.030 0.000 2.317 225 R HA 0.372 4.713 4.340 0.001 0.000 0.208 225 R C -0.488 175.861 176.300 0.082 0.000 0.914 225 R CA 0.087 56.177 56.100 -0.016 0.000 1.060 225 R CB 0.202 30.433 30.300 -0.114 0.000 1.015 225 R HN 0.353 nan 8.270 nan 0.000 0.498 226 V N 0.436 120.436 119.914 0.145 0.000 2.540 226 V HA 0.246 4.366 4.120 0.001 0.000 0.302 226 V C -0.375 175.848 176.094 0.215 0.000 1.035 226 V CA -1.207 61.202 62.300 0.182 0.000 0.873 226 V CB 2.466 34.363 31.823 0.123 0.000 0.992 226 V HN 0.106 nan 8.190 nan 0.000 0.428 227 C N 6.907 126.295 119.300 0.148 0.000 2.298 227 C HA 0.602 5.063 4.460 0.001 0.000 0.323 227 C C -0.221 174.767 174.990 -0.002 0.000 1.284 227 C CA -0.630 58.332 59.018 -0.093 0.000 1.577 227 C CB -0.402 27.120 27.740 -0.363 0.000 2.249 227 C HN 0.702 nan 8.230 nan 0.000 0.497 228 I N 6.695 127.243 120.570 -0.036 0.000 2.291 228 I HA 0.292 4.463 4.170 0.001 0.000 0.292 228 I C 1.216 177.275 176.117 -0.096 0.000 1.064 228 I CA 0.443 61.715 61.300 -0.046 0.000 1.269 228 I CB 0.044 37.976 38.000 -0.113 0.000 1.418 228 I HN 0.899 nan 8.210 nan 0.000 0.485 229 G N 4.666 113.392 108.800 -0.122 0.000 2.537 229 G HA2 0.271 4.232 3.960 0.001 0.000 0.273 229 G HA3 0.271 4.232 3.960 0.001 0.000 0.273 229 G C 0.314 175.010 174.900 -0.340 0.000 1.189 229 G CA -0.125 44.805 45.100 -0.284 0.000 0.881 229 G HN 0.789 nan 8.290 nan 0.000 0.535 230 H N -0.550 118.302 119.070 -0.362 0.000 2.861 230 H HA -0.168 4.389 4.556 0.001 0.000 0.289 230 H C 2.009 177.214 175.328 -0.204 0.000 1.176 230 H CA 0.467 56.216 56.048 -0.498 0.000 1.146 230 H CB -1.805 27.605 29.762 -0.586 0.000 1.330 230 H HN 0.376 nan 8.280 nan 0.000 0.379 231 S N 0.154 115.831 115.700 -0.039 0.000 2.442 231 S HA -0.121 4.350 4.470 0.001 0.000 0.236 231 S C 1.740 176.371 174.600 0.052 0.000 1.007 231 S CA 1.180 59.392 58.200 0.020 0.000 0.965 231 S CB 0.001 63.171 63.200 -0.051 0.000 0.773 231 S HN 0.744 nan 8.310 nan 0.000 0.504 232 D N 0.679 121.099 120.400 0.033 0.000 2.363 232 D HA -0.067 4.574 4.640 0.001 0.000 0.226 232 D C 0.287 176.637 176.300 0.084 0.000 1.020 232 D CA 0.378 54.417 54.000 0.065 0.000 0.892 232 D CB -0.258 40.587 40.800 0.075 0.000 0.900 232 D HN 0.151 nan 8.370 nan 0.000 0.531 233 D N 0.217 120.670 120.400 0.088 0.000 2.371 233 D HA -0.020 4.621 4.640 0.001 0.000 0.221 233 D C 0.420 176.761 176.300 0.069 0.000 0.986 233 D CA 0.734 54.788 54.000 0.090 0.000 0.899 233 D CB 0.309 41.166 40.800 0.096 0.000 0.902 233 D HN 0.208 nan 8.370 nan 0.000 0.530 234 T N -1.014 113.589 114.554 0.082 0.000 2.907 234 T HA 0.181 4.532 4.350 0.001 0.000 0.292 234 T C -0.206 174.543 174.700 0.081 0.000 1.043 234 T CA -0.806 61.337 62.100 0.072 0.000 1.003 234 T CB 1.569 70.483 68.868 0.078 0.000 1.084 234 T HN -0.290 nan 8.240 nan 0.000 0.483 235 D N 1.549 121.985 120.400 0.061 0.000 2.339 235 D HA 0.067 4.707 4.640 0.001 0.000 0.217 235 D C 0.043 176.385 176.300 0.070 0.000 1.050 235 D CA 0.071 54.106 54.000 0.059 0.000 0.856 235 D CB 0.281 41.105 40.800 0.041 0.000 0.922 235 D HN 0.563 nan 8.370 nan 0.000 0.518 236 D N 1.618 122.070 120.400 0.088 0.000 2.385 236 D HA -0.065 4.576 4.640 0.001 0.000 0.260 236 D C 1.238 177.621 176.300 0.138 0.000 1.326 236 D CA -0.194 53.870 54.000 0.106 0.000 1.023 236 D CB 0.421 41.287 40.800 0.110 0.000 1.083 236 D HN -0.046 nan 8.370 nan 0.000 0.517 237 L N 3.193 124.471 121.223 0.093 0.000 2.201 237 L HA -0.121 4.220 4.340 0.001 0.000 0.212 237 L C 1.997 178.914 176.870 0.078 0.000 1.105 237 L CA 1.356 56.244 54.840 0.079 0.000 0.775 237 L CB -0.329 41.770 42.059 0.066 0.000 0.913 237 L HN 0.273 nan 8.230 nan 0.000 0.440 238 S N -1.229 114.525 115.700 0.091 0.000 2.368 238 S HA -0.274 4.197 4.470 0.001 0.000 0.225 238 S C 1.834 176.496 174.600 0.102 0.000 1.030 238 S CA 1.620 59.871 58.200 0.085 0.000 0.999 238 S CB -0.831 62.415 63.200 0.076 0.000 0.844 238 S HN 0.691 nan 8.310 nan 0.000 0.459 239 Y N 2.580 122.876 120.300 -0.008 0.000 2.097 239 Y HA -0.176 4.375 4.550 0.001 0.000 0.282 239 Y C 1.990 177.867 175.900 -0.039 0.000 1.152 239 Y CA 1.398 59.484 58.100 -0.023 0.000 1.136 239 Y CB -0.393 38.053 38.460 -0.023 0.000 0.975 239 Y HN 0.104 nan 8.280 nan 0.000 0.498 240 L N -0.405 120.684 121.223 -0.224 0.000 1.989 240 L HA -0.263 4.078 4.340 0.001 0.000 0.211 240 L C 2.740 179.444 176.870 -0.276 0.000 1.071 240 L CA 2.069 56.703 54.840 -0.343 0.000 0.749 240 L CB -1.180 40.790 42.059 -0.150 0.000 0.890 240 L HN 0.303 nan 8.230 nan 0.000 0.431 241 T N -0.560 113.906 114.554 -0.146 0.000 2.788 241 T HA -0.139 4.212 4.350 0.001 0.000 0.268 241 T C 1.836 176.414 174.700 -0.203 0.000 1.044 241 T CA 1.350 63.359 62.100 -0.151 0.000 1.139 241 T CB -0.010 68.892 68.868 0.056 0.000 0.867 241 T HN 0.424 nan 8.240 nan 0.000 0.454 242 A N 0.682 123.435 122.820 -0.112 0.000 1.930 242 A HA 0.131 4.452 4.320 0.001 0.000 0.217 242 A C 2.328 179.851 177.584 -0.101 0.000 1.175 242 A CA 1.168 53.165 52.037 -0.066 0.000 0.627 242 A CB -0.696 18.300 19.000 -0.006 0.000 0.815 242 A HN 0.571 nan 8.150 nan 0.000 0.443 243 L N -0.853 120.263 121.223 -0.179 0.000 2.027 243 L HA -0.154 4.186 4.340 0.001 0.000 0.206 243 L C 3.114 179.932 176.870 -0.086 0.000 1.074 243 L CA 0.999 55.765 54.840 -0.124 0.000 0.745 243 L CB -0.516 41.359 42.059 -0.307 0.000 0.898 243 L HN 0.424 nan 8.230 nan 0.000 0.433 244 A N 0.076 122.698 122.820 -0.330 0.000 1.940 244 A HA -0.224 4.097 4.320 0.001 0.000 0.219 244 A C 2.499 179.763 177.584 -0.534 0.000 1.176 244 A CA 1.796 53.506 52.037 -0.545 0.000 0.631 244 A CB -0.739 17.614 19.000 -1.078 0.000 0.814 244 A HN 0.422 nan 8.150 nan 0.000 0.446 245 A N -0.227 122.318 122.820 -0.458 0.000 1.972 245 A HA -0.164 4.157 4.320 0.001 0.000 0.219 245 A C 2.151 179.722 177.584 -0.022 0.000 1.169 245 A CA 1.562 53.532 52.037 -0.113 0.000 0.635 245 A CB -0.395 18.609 19.000 0.008 0.000 0.810 245 A HN 0.571 nan 8.150 nan 0.000 0.446 246 R N -1.737 118.756 120.500 -0.011 0.000 2.299 246 R HA 0.213 4.553 4.340 0.001 0.000 0.197 246 R C 1.340 177.564 176.300 -0.127 0.000 0.971 246 R CA 0.622 56.731 56.100 0.016 0.000 1.030 246 R CB -0.008 30.391 30.300 0.165 0.000 0.932 246 R HN 0.680 nan 8.270 nan 0.000 0.477 247 G N -0.916 107.797 108.800 -0.145 0.000 2.211 247 G HA2 -0.261 3.700 3.960 0.001 0.000 0.201 247 G HA3 -0.261 3.700 3.960 0.001 0.000 0.201 247 G C -0.168 174.547 174.900 -0.308 0.000 0.997 247 G CA -0.640 44.325 45.100 -0.224 0.000 0.652 247 G HN 0.213 nan 8.290 nan 0.000 0.500 248 Y N 0.045 120.290 120.300 -0.091 0.000 2.379 248 Y HA 0.550 5.101 4.550 0.001 0.000 0.337 248 Y C 1.138 176.952 175.900 -0.143 0.000 1.238 248 Y CA -0.358 57.683 58.100 -0.098 0.000 1.405 248 Y CB 0.547 38.946 38.460 -0.103 0.000 1.310 248 Y HN 0.125 nan 8.280 nan 0.000 0.569 249 L N 3.621 124.853 121.223 0.014 0.000 2.312 249 L HA 0.266 4.607 4.340 0.001 0.000 0.281 249 L C -0.659 176.130 176.870 -0.134 0.000 1.070 249 L CA -0.114 54.641 54.840 -0.142 0.000 0.805 249 L CB 0.596 42.434 42.059 -0.368 0.000 1.174 249 L HN 0.382 nan 8.230 nan 0.000 0.434 250 I N 2.563 123.040 120.570 -0.155 0.000 2.330 250 I HA 0.314 4.485 4.170 0.001 0.000 0.289 250 I C 0.711 176.739 176.117 -0.148 0.000 1.001 250 I CA -0.358 60.852 61.300 -0.149 0.000 1.193 250 I CB 1.019 38.935 38.000 -0.141 0.000 1.345 250 I HN 0.614 nan 8.210 nan 0.000 0.461 251 G N 7.432 116.143 108.800 -0.148 0.000 2.393 251 G HA2 0.501 4.462 3.960 0.001 0.000 0.311 251 G HA3 0.501 4.462 3.960 0.001 0.000 0.311 251 G C -0.111 174.728 174.900 -0.103 0.000 1.067 251 G CA -0.419 44.599 45.100 -0.136 0.000 1.000 251 G HN 0.558 nan 8.290 nan 0.000 0.422 252 L N 3.414 124.599 121.223 -0.062 0.000 2.407 252 L HA 0.245 4.585 4.340 0.001 0.000 0.261 252 L C 0.111 176.982 176.870 0.000 0.000 1.108 252 L CA -0.562 54.267 54.840 -0.017 0.000 0.995 252 L CB 0.678 42.749 42.059 0.020 0.000 1.349 252 L HN 0.679 nan 8.230 nan 0.000 0.423 253 D N -2.523 117.843 120.400 -0.056 0.000 2.440 253 D HA -0.022 4.619 4.640 0.001 0.000 0.216 253 D C 0.965 177.256 176.300 -0.014 0.000 1.150 253 D CA 0.025 53.998 54.000 -0.044 0.000 0.832 253 D CB 0.069 40.783 40.800 -0.143 0.000 0.992 253 D HN 0.409 nan 8.370 nan 0.000 0.502 254 H N 0.282 119.289 119.070 -0.106 0.000 2.486 254 H HA 0.205 4.762 4.556 0.001 0.000 0.284 254 H C 1.196 176.547 175.328 0.039 0.000 1.103 254 H CA -0.517 55.357 56.048 -0.290 0.000 1.089 254 H CB 0.677 30.180 29.762 -0.432 0.000 1.603 254 H HN -0.031 nan 8.280 nan 0.000 0.557 255 I N 1.879 122.598 120.570 0.248 0.000 2.113 255 I HA -0.227 3.944 4.170 0.001 0.000 0.242 255 I C -0.668 175.601 176.117 0.254 0.000 1.057 255 I CA 1.436 62.909 61.300 0.288 0.000 1.314 255 I CB -2.230 35.974 38.000 0.340 0.000 1.022 255 I HN 0.308 nan 8.210 nan 0.000 0.408 256 P HA -0.058 nan 4.420 nan 0.000 0.249 256 P C 0.228 177.493 177.300 -0.057 0.000 1.229 256 P CA 0.595 63.472 63.100 -0.373 0.000 0.788 256 P CB -0.478 30.619 31.700 -1.005 0.000 1.072 257 H N 0.441 119.503 119.070 -0.012 0.000 2.944 257 H HA 0.363 4.920 4.556 0.001 0.000 0.278 257 H C 0.044 175.361 175.328 -0.018 0.000 1.083 257 H CA 0.241 56.271 56.048 -0.030 0.000 1.479 257 H CB 0.503 30.137 29.762 -0.213 0.000 1.486 257 H HN 0.037 nan 8.280 nan 0.000 0.493 258 S N 1.826 117.558 115.700 0.054 0.000 2.548 258 S HA 0.422 4.893 4.470 0.001 0.000 0.278 258 S C -0.190 174.428 174.600 0.029 0.000 1.150 258 S CA -0.284 57.947 58.200 0.051 0.000 0.907 258 S CB 1.198 64.442 63.200 0.073 0.000 1.108 258 S HN 0.701 nan 8.310 nan 0.000 0.459 259 A N 4.418 127.256 122.820 0.029 0.000 2.500 259 A HA 0.462 4.783 4.320 0.001 0.000 0.267 259 A C 0.377 177.977 177.584 0.027 0.000 1.290 259 A CA -0.271 51.782 52.037 0.026 0.000 0.928 259 A CB -0.415 18.600 19.000 0.026 0.000 1.066 259 A HN 0.767 nan 8.150 nan 0.000 0.516 260 I N 0.331 120.920 120.570 0.031 0.000 2.683 260 I HA 0.233 4.404 4.170 0.001 0.000 0.286 260 I C 1.542 177.677 176.117 0.030 0.000 1.175 260 I CA 1.628 62.945 61.300 0.029 0.000 1.429 260 I CB 0.619 38.638 38.000 0.031 0.000 1.371 260 I HN 0.501 nan 8.210 nan 0.000 0.569 261 G N 5.151 113.966 108.800 0.025 0.000 2.194 261 G HA2 -0.241 3.719 3.960 0.001 0.000 0.236 261 G HA3 -0.241 3.719 3.960 0.001 0.000 0.236 261 G C 0.172 175.085 174.900 0.021 0.000 0.987 261 G CA -0.132 44.982 45.100 0.024 0.000 0.635 261 G HN 0.482 nan 8.290 nan 0.000 0.520 262 L N 0.289 121.524 121.223 0.021 0.000 3.229 262 L HA 0.477 4.818 4.340 0.001 0.000 0.286 262 L C 1.387 178.267 176.870 0.018 0.000 1.239 262 L CA 0.218 55.069 54.840 0.019 0.000 1.035 262 L CB 0.805 42.876 42.059 0.021 0.000 1.408 262 L HN 0.067 nan 8.230 nan 0.000 0.593 263 E N 1.075 121.285 120.200 0.017 0.000 2.301 263 E HA -0.282 4.069 4.350 0.001 0.000 0.202 263 E C 1.317 177.925 176.600 0.013 0.000 1.017 263 E CA 1.749 58.158 56.400 0.015 0.000 0.831 263 E CB -0.202 29.506 29.700 0.013 0.000 0.742 263 E HN 0.755 nan 8.360 nan 0.000 0.491 264 D N -0.753 119.654 120.400 0.011 0.000 2.355 264 D HA -0.101 4.540 4.640 0.001 0.000 0.218 264 D C 0.375 176.679 176.300 0.006 0.000 1.004 264 D CA 0.109 54.114 54.000 0.007 0.000 0.880 264 D CB 0.023 40.827 40.800 0.006 0.000 0.911 264 D HN -0.085 nan 8.370 nan 0.000 0.528 265 N N 0.392 119.098 118.700 0.010 0.000 2.546 265 N HA 0.300 5.041 4.740 0.001 0.000 0.238 265 N C 0.826 176.346 175.510 0.018 0.000 0.984 265 N CA -0.125 52.931 53.050 0.009 0.000 0.935 265 N CB 1.285 39.779 38.487 0.012 0.000 1.122 265 N HN 0.096 nan 8.380 nan 0.000 0.510 266 A N 3.023 125.850 122.820 0.011 0.000 1.883 266 A HA -0.204 4.117 4.320 0.001 0.000 0.217 266 A C 2.134 179.745 177.584 0.044 0.000 1.186 266 A CA 2.355 54.403 52.037 0.019 0.000 0.624 266 A CB -0.892 18.112 19.000 0.006 0.000 0.822 266 A HN 0.766 nan 8.150 nan 0.000 0.444 267 S N 0.184 115.903 115.700 0.033 0.000 2.382 267 S HA 0.015 4.485 4.470 0.001 0.000 0.228 267 S C 2.091 176.824 174.600 0.222 0.000 1.027 267 S CA 1.435 59.690 58.200 0.092 0.000 0.991 267 S CB -0.734 62.412 63.200 -0.089 0.000 0.823 267 S HN 0.942 nan 8.310 nan 0.000 0.469 268 A N 1.936 124.833 122.820 0.128 0.000 1.898 268 A HA 0.046 4.367 4.320 0.001 0.000 0.216 268 A C 2.440 180.069 177.584 0.074 0.000 1.181 268 A CA 1.670 53.774 52.037 0.110 0.000 0.620 268 A CB -1.108 17.928 19.000 0.060 0.000 0.819 268 A HN 0.572 nan 8.150 nan 0.000 0.442 269 S N 0.457 116.192 115.700 0.060 0.000 2.368 269 S HA -0.040 4.431 4.470 0.001 0.000 0.225 269 S C 2.270 176.899 174.600 0.047 0.000 1.030 269 S CA 1.140 59.366 58.200 0.043 0.000 0.999 269 S CB -0.520 62.700 63.200 0.033 0.000 0.844 269 S HN 0.791 nan 8.310 nan 0.000 0.459 270 A N 1.491 124.354 122.820 0.073 0.000 1.902 270 A HA -0.043 4.278 4.320 0.001 0.000 0.217 270 A C 2.179 179.794 177.584 0.053 0.000 1.181 270 A CA 1.545 53.628 52.037 0.078 0.000 0.623 270 A CB -0.664 18.414 19.000 0.129 0.000 0.818 270 A HN 0.427 nan 8.150 nan 0.000 0.443 271 L N -0.682 120.567 121.223 0.043 0.000 2.068 271 L HA 0.069 4.410 4.340 0.001 0.000 0.204 271 L C 2.109 178.952 176.870 -0.045 0.000 1.076 271 L CA 1.589 56.386 54.840 -0.071 0.000 0.753 271 L CB -0.289 41.612 42.059 -0.263 0.000 0.910 271 L HN 0.353 nan 8.230 nan 0.000 0.439 272 L N -0.490 120.725 121.223 -0.013 0.000 2.307 272 L HA 0.352 4.693 4.340 0.001 0.000 0.211 272 L C 1.160 178.037 176.870 0.012 0.000 1.099 272 L CA 0.279 55.117 54.840 -0.003 0.000 0.816 272 L CB -0.960 41.095 42.059 -0.007 0.000 0.952 272 L HN 0.487 nan 8.230 nan 0.000 0.455 273 G N 1.119 109.928 108.800 0.016 0.000 2.712 273 G HA2 -0.228 3.732 3.960 0.001 0.000 0.683 273 G HA3 -0.228 3.732 3.960 0.001 0.000 0.683 273 G C -0.005 174.910 174.900 0.025 0.000 1.320 273 G CA -0.148 44.965 45.100 0.021 0.000 0.847 273 G HN 0.334 nan 8.290 nan 0.000 0.553 274 I N -2.577 118.007 120.570 0.023 0.000 4.009 274 I HA 0.494 4.665 4.170 0.001 0.000 0.331 274 I C 0.777 176.904 176.117 0.018 0.000 1.462 274 I CA -0.619 60.693 61.300 0.020 0.000 1.117 274 I CB 0.162 38.172 38.000 0.016 0.000 1.091 274 I HN 0.324 nan 8.210 nan 0.000 0.410 275 R N 1.998 122.512 120.500 0.023 0.000 2.457 275 R HA 0.439 4.780 4.340 0.001 0.000 0.284 275 R C 0.564 176.875 176.300 0.019 0.000 1.024 275 R CA -0.233 55.877 56.100 0.017 0.000 1.025 275 R CB 1.450 31.764 30.300 0.024 0.000 1.063 275 R HN 0.446 nan 8.270 nan 0.000 0.493 276 S N 2.276 117.964 115.700 -0.019 0.000 2.614 276 S HA 0.056 4.526 4.470 0.001 0.000 0.265 276 S C 1.299 175.880 174.600 -0.032 0.000 1.303 276 S CA -0.889 57.279 58.200 -0.052 0.000 1.000 276 S CB 0.493 63.591 63.200 -0.169 0.000 0.935 276 S HN 0.915 nan 8.310 nan 0.000 0.551 277 W N 0.875 122.157 121.300 -0.030 0.000 2.402 277 W HA -0.106 4.555 4.660 0.002 0.000 0.286 277 W C 1.101 177.559 176.519 -0.102 0.000 1.221 277 W CA 0.995 58.328 57.345 -0.021 0.000 1.257 277 W CB -1.128 28.352 29.460 0.033 0.000 1.120 277 W HN 0.660 nan 8.180 nan 0.000 0.551 278 Q N 1.245 120.443 119.800 -1.002 0.000 2.079 278 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 278 Q C 2.376 178.172 176.000 -0.340 0.000 0.974 278 Q CA 3.143 58.300 55.803 -1.078 0.000 0.840 278 Q CB -0.893 27.177 28.738 -1.114 0.000 0.898 278 Q HN 0.123 nan 8.270 nan 0.000 0.430 279 T N 0.503 114.934 114.554 -0.204 0.000 2.684 279 T HA -0.149 4.201 4.350 0.001 0.000 0.267 279 T C 1.688 176.395 174.700 0.012 0.000 1.036 279 T CA 1.428 63.496 62.100 -0.054 0.000 1.148 279 T CB -0.140 68.705 68.868 -0.038 0.000 0.863 279 T HN 0.236 nan 8.240 nan 0.000 0.436 280 R N 1.001 121.521 120.500 0.033 0.000 2.073 280 R HA 0.059 4.399 4.340 0.001 0.000 0.234 280 R C 2.850 179.222 176.300 0.121 0.000 1.134 280 R CA 1.279 57.435 56.100 0.093 0.000 0.952 280 R CB -0.536 29.848 30.300 0.140 0.000 0.850 280 R HN 0.346 nan 8.270 nan 0.000 0.433 281 A N 1.298 124.198 122.820 0.133 0.000 1.978 281 A HA -0.135 4.186 4.320 0.001 0.000 0.220 281 A C 2.148 179.877 177.584 0.242 0.000 1.170 281 A CA 1.195 53.353 52.037 0.202 0.000 0.636 281 A CB -0.557 18.559 19.000 0.193 0.000 0.810 281 A HN 0.198 nan 8.150 nan 0.000 0.448 282 L N -0.607 120.745 121.223 0.214 0.000 2.265 282 L HA -0.173 4.168 4.340 0.001 0.000 0.215 282 L C 2.324 179.273 176.870 0.133 0.000 1.117 282 L CA 0.657 55.619 54.840 0.204 0.000 0.782 282 L CB -0.439 41.716 42.059 0.159 0.000 0.914 282 L HN 0.397 nan 8.230 nan 0.000 0.441 283 L N -0.633 120.658 121.223 0.113 0.000 2.131 283 L HA -0.232 4.109 4.340 0.001 0.000 0.210 283 L C 2.397 179.319 176.870 0.086 0.000 1.092 283 L CA 1.255 56.148 54.840 0.088 0.000 0.759 283 L CB -0.399 41.705 42.059 0.076 0.000 0.903 283 L HN 0.246 nan 8.230 nan 0.000 0.435 284 I N -0.098 120.534 120.570 0.104 0.000 2.179 284 I HA -0.325 3.846 4.170 0.001 0.000 0.242 284 I C 2.700 178.866 176.117 0.082 0.000 1.088 284 I CA 1.440 62.795 61.300 0.091 0.000 1.357 284 I CB -0.376 37.691 38.000 0.111 0.000 1.051 284 I HN 0.225 nan 8.210 nan 0.000 0.409 285 K N 1.426 121.883 120.400 0.095 0.000 2.057 285 K HA -0.195 4.125 4.320 0.001 0.000 0.207 285 K C 2.232 178.863 176.600 0.051 0.000 1.049 285 K CA 1.450 57.775 56.287 0.063 0.000 0.931 285 K CB -0.123 32.408 32.500 0.052 0.000 0.714 285 K HN 0.297 nan 8.250 nan 0.000 0.440 286 A N 1.595 124.452 122.820 0.062 0.000 1.865 286 A HA -0.177 4.144 4.320 0.001 0.000 0.217 286 A C 2.148 179.775 177.584 0.071 0.000 1.191 286 A CA 1.553 53.626 52.037 0.059 0.000 0.623 286 A CB -0.776 18.263 19.000 0.064 0.000 0.826 286 A HN 0.346 nan 8.150 nan 0.000 0.444 287 L N -0.786 120.489 121.223 0.087 0.000 2.083 287 L HA -0.196 4.145 4.340 0.001 0.000 0.209 287 L C 2.541 179.480 176.870 0.115 0.000 1.083 287 L CA 1.275 56.196 54.840 0.135 0.000 0.752 287 L CB -0.506 41.618 42.059 0.108 0.000 0.899 287 L HN 0.412 nan 8.230 nan 0.000 0.433 288 I N -0.213 120.395 120.570 0.063 0.000 2.179 288 I HA -0.314 3.857 4.170 0.001 0.000 0.242 288 I C 2.121 178.232 176.117 -0.010 0.000 1.088 288 I CA 1.294 62.609 61.300 0.026 0.000 1.357 288 I CB -0.363 37.648 38.000 0.020 0.000 1.051 288 I HN 0.257 nan 8.210 nan 0.000 0.409 289 D N 0.377 120.778 120.400 0.001 0.000 2.149 289 D HA -0.189 4.452 4.640 0.001 0.000 0.198 289 D C 2.071 178.344 176.300 -0.045 0.000 0.990 289 D CA 1.044 55.033 54.000 -0.018 0.000 0.839 289 D CB -0.270 40.529 40.800 -0.001 0.000 0.948 289 D HN 0.295 nan 8.370 nan 0.000 0.460 290 Q N -0.624 119.158 119.800 -0.030 0.000 2.482 290 Q HA 0.120 4.461 4.340 0.001 0.000 0.209 290 Q C 1.272 177.050 176.000 -0.371 0.000 0.961 290 Q CA 0.716 56.468 55.803 -0.086 0.000 0.945 290 Q CB 0.423 29.219 28.738 0.097 0.000 1.012 290 Q HN 0.410 nan 8.270 nan 0.000 0.515 291 G N 0.048 108.655 108.800 -0.322 0.000 2.144 291 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 291 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 291 G C -0.088 174.506 174.900 -0.510 0.000 0.988 291 G CA -0.105 44.736 45.100 -0.433 0.000 0.659 291 G HN 0.347 nan 8.290 nan 0.000 0.522 292 Y N 0.723 121.014 120.300 -0.016 0.000 2.801 292 Y HA 0.380 4.931 4.550 0.001 0.000 0.318 292 Y C 2.387 178.271 175.900 -0.028 0.000 1.073 292 Y CA 0.101 58.187 58.100 -0.023 0.000 1.360 292 Y CB -0.426 38.020 38.460 -0.025 0.000 1.220 292 Y HN 0.480 nan 8.280 nan 0.000 0.536 293 M N -1.180 118.455 119.600 0.058 0.000 2.202 293 M HA -0.194 4.287 4.480 0.001 0.000 0.262 293 M C 1.175 177.489 176.300 0.024 0.000 1.063 293 M CA 1.912 57.231 55.300 0.032 0.000 1.097 293 M CB -0.324 32.277 32.600 0.002 0.000 1.382 293 M HN 0.085 nan 8.290 nan 0.000 0.413 294 K N 0.547 120.966 120.400 0.031 0.000 2.504 294 K HA -0.004 4.317 4.320 0.001 0.000 0.195 294 K C 1.048 177.652 176.600 0.006 0.000 1.036 294 K CA 0.600 56.895 56.287 0.014 0.000 0.984 294 K CB 0.097 32.606 32.500 0.015 0.000 0.788 294 K HN 0.619 nan 8.250 nan 0.000 0.488 295 Q N 0.231 120.045 119.800 0.023 0.000 2.172 295 Q HA 0.243 4.584 4.340 0.001 0.000 0.217 295 Q C 0.125 176.085 176.000 -0.067 0.000 0.832 295 Q CA 0.077 55.863 55.803 -0.028 0.000 1.010 295 Q CB 0.564 29.285 28.738 -0.028 0.000 1.133 295 Q HN 0.250 nan 8.270 nan 0.000 0.489 296 I N 1.533 122.074 120.570 -0.050 0.000 2.392 296 I HA 0.364 4.535 4.170 0.001 0.000 0.295 296 I C -0.419 175.635 176.117 -0.106 0.000 0.985 296 I CA -0.783 60.478 61.300 -0.066 0.000 1.221 296 I CB 1.357 39.344 38.000 -0.022 0.000 1.366 296 I HN -0.069 nan 8.210 nan 0.000 0.467 297 L N 6.509 127.654 121.223 -0.130 0.000 2.409 297 L HA 0.609 4.949 4.340 0.001 0.000 0.272 297 L C -0.893 175.928 176.870 -0.082 0.000 0.980 297 L CA -0.811 53.945 54.840 -0.141 0.000 0.826 297 L CB 2.118 44.035 42.059 -0.238 0.000 1.268 297 L HN 0.253 nan 8.230 nan 0.000 0.407 298 V N 1.705 121.588 119.914 -0.052 0.000 2.628 298 V HA 0.748 4.869 4.120 0.001 0.000 0.306 298 V C -0.152 175.966 176.094 0.039 0.000 1.045 298 V CA -0.222 62.080 62.300 0.002 0.000 0.905 298 V CB 1.989 33.821 31.823 0.015 0.000 0.997 298 V HN 0.861 nan 8.190 nan 0.000 0.436 299 S N 1.623 117.373 115.700 0.083 0.000 2.727 299 S HA 0.453 4.923 4.470 0.001 0.000 0.278 299 S C 0.062 174.771 174.600 0.181 0.000 1.186 299 S CA -0.593 57.688 58.200 0.134 0.000 0.836 299 S CB 1.854 65.141 63.200 0.145 0.000 1.186 299 S HN 0.788 nan 8.310 nan 0.000 0.499 300 N N 0.747 119.588 118.700 0.236 0.000 2.273 300 N HA 0.096 4.836 4.740 0.001 0.000 0.192 300 N C -0.741 175.074 175.510 0.508 0.000 1.132 300 N CA 0.279 53.526 53.050 0.329 0.000 0.887 300 N CB 0.192 38.844 38.487 0.275 0.000 1.048 300 N HN 0.744 nan 8.380 nan 0.000 0.490 301 D N 0.277 120.923 120.400 0.409 0.000 2.708 301 D HA -0.191 4.450 4.640 0.001 0.000 0.236 301 D C -0.501 176.117 176.300 0.530 0.000 1.146 301 D CA 0.425 54.711 54.000 0.477 0.000 0.662 301 D CB -1.099 39.874 40.800 0.289 0.000 1.059 301 D HN 0.372 nan 8.370 nan 0.000 0.428 302 W N -0.604 120.773 121.300 0.129 0.000 2.260 302 W HA 0.527 5.188 4.660 0.001 0.000 0.366 302 W C -0.029 176.377 176.519 -0.188 0.000 1.315 302 W CA -0.644 56.660 57.345 -0.069 0.000 1.458 302 W CB 0.651 30.013 29.460 -0.163 0.000 1.255 302 W HN 0.044 nan 8.180 nan 0.000 0.671 303 L N -0.339 120.483 121.223 -0.668 0.000 2.838 303 L HA 0.372 4.713 4.340 0.001 0.000 0.266 303 L C -0.559 175.870 176.870 -0.735 0.000 1.040 303 L CA -0.711 53.754 54.840 -0.625 0.000 0.906 303 L CB 0.400 42.162 42.059 -0.495 0.000 1.501 303 L HN 0.300 nan 8.230 nan 0.000 0.407 304 F N -0.442 119.500 119.950 -0.012 0.000 2.717 304 F HA 0.685 5.213 4.527 0.001 0.000 0.297 304 F C 1.181 177.010 175.800 0.048 0.000 1.113 304 F CA -0.011 58.012 58.000 0.039 0.000 1.319 304 F CB 0.843 39.871 39.000 0.047 0.000 1.097 304 F HN 0.648 nan 8.300 nan 0.000 0.595 305 G N -0.409 108.479 108.800 0.146 0.000 2.667 305 G HA2 0.514 4.475 3.960 0.001 0.000 0.298 305 G HA3 0.514 4.475 3.960 0.001 0.000 0.298 305 G C -2.119 172.971 174.900 0.317 0.000 1.377 305 G CA -0.377 44.883 45.100 0.267 0.000 0.964 305 G HN -0.156 nan 8.290 nan 0.000 0.493 306 F N 2.533 122.666 119.950 0.305 0.000 3.051 306 F HA 0.415 4.943 4.527 0.001 0.000 0.363 306 F C 0.682 176.592 175.800 0.183 0.000 1.257 306 F CA -1.654 56.421 58.000 0.124 0.000 1.126 306 F CB 1.729 40.718 39.000 -0.019 0.000 1.476 306 F HN 0.490 nan 8.300 nan 0.000 0.576 307 S N 0.822 116.693 115.700 0.286 0.000 2.512 307 S HA 0.017 4.488 4.470 0.001 0.000 0.216 307 S C 1.220 175.556 174.600 -0.439 0.000 1.006 307 S CA 0.590 58.565 58.200 -0.375 0.000 0.915 307 S CB -0.168 62.356 63.200 -1.126 0.000 0.824 307 S HN 0.475 nan 8.310 nan 0.000 0.497 308 S N 0.013 115.651 115.700 -0.104 0.000 2.754 308 S HA 0.327 4.798 4.470 0.001 0.000 0.223 308 S C -0.120 174.523 174.600 0.072 0.000 0.951 308 S CA -0.483 57.705 58.200 -0.020 0.000 0.954 308 S CB -0.652 62.643 63.200 0.158 0.000 0.780 308 S HN 0.613 nan 8.310 nan 0.000 0.509 309 Y N 0.731 120.809 120.300 -0.370 0.000 3.068 309 Y HA 0.566 5.116 4.550 0.001 0.000 0.302 309 Y C -0.259 175.458 175.900 -0.306 0.000 1.610 309 Y CA -1.578 56.295 58.100 -0.377 0.000 1.078 309 Y CB 0.748 38.791 38.460 -0.695 0.000 1.418 309 Y HN 0.105 nan 8.280 nan 0.000 0.525 310 V N 0.646 120.099 119.914 -0.769 0.000 2.963 310 V HA 0.304 4.425 4.120 0.001 0.000 0.306 310 V C 0.012 175.959 176.094 -0.244 0.000 1.077 310 V CA -0.475 61.542 62.300 -0.472 0.000 1.124 310 V CB -0.043 31.472 31.823 -0.513 0.000 0.987 310 V HN 0.722 nan 8.190 nan 0.000 0.487 311 T N 4.454 118.924 114.554 -0.140 0.000 2.940 311 T HA 0.212 4.563 4.350 0.001 0.000 0.309 311 T C 0.866 175.488 174.700 -0.131 0.000 1.056 311 T CA 1.073 63.119 62.100 -0.091 0.000 1.137 311 T CB -0.173 68.639 68.868 -0.094 0.000 0.976 311 T HN 1.151 nan 8.240 nan 0.000 0.547 312 N N -0.911 117.707 118.700 -0.137 0.000 2.980 312 N HA -0.184 4.557 4.740 0.001 0.000 0.213 312 N C 0.819 176.291 175.510 -0.064 0.000 0.892 312 N CA 0.715 53.705 53.050 -0.100 0.000 1.025 312 N CB -1.469 36.963 38.487 -0.092 0.000 1.030 312 N HN 0.551 nan 8.380 nan 0.000 0.585 313 I N 0.750 121.271 120.570 -0.082 0.000 2.335 313 I HA -0.104 4.067 4.170 0.001 0.000 0.251 313 I C 2.148 178.268 176.117 0.005 0.000 1.129 313 I CA 1.616 62.890 61.300 -0.044 0.000 1.402 313 I CB -0.177 37.763 38.000 -0.100 0.000 1.069 313 I HN 0.387 nan 8.210 nan 0.000 0.424 314 M N 0.492 120.112 119.600 0.034 0.000 2.080 314 M HA -0.234 4.247 4.480 0.001 0.000 0.260 314 M C 1.702 178.030 176.300 0.046 0.000 1.068 314 M CA 2.019 57.362 55.300 0.071 0.000 1.109 314 M CB -0.611 32.070 32.600 0.135 0.000 1.342 314 M HN 0.234 nan 8.290 nan 0.000 0.405 315 D N -0.629 119.790 120.400 0.031 0.000 2.117 315 D HA -0.142 4.499 4.640 0.001 0.000 0.197 315 D C 2.158 178.483 176.300 0.042 0.000 0.987 315 D CA 1.604 55.626 54.000 0.037 0.000 0.829 315 D CB -0.645 40.161 40.800 0.010 0.000 0.961 315 D HN 0.286 nan 8.370 nan 0.000 0.460 316 V N 1.073 121.001 119.914 0.023 0.000 2.255 316 V HA -0.287 3.834 4.120 0.001 0.000 0.247 316 V C 2.554 178.675 176.094 0.045 0.000 1.051 316 V CA 1.604 63.919 62.300 0.026 0.000 1.018 316 V CB -0.442 31.390 31.823 0.015 0.000 0.641 316 V HN 0.208 nan 8.190 nan 0.000 0.445 317 M N -0.512 119.106 119.600 0.029 0.000 2.117 317 M HA -0.184 4.297 4.480 0.001 0.000 0.262 317 M C 1.966 178.430 176.300 0.273 0.000 1.065 317 M CA 1.814 57.142 55.300 0.046 0.000 1.114 317 M CB -0.635 31.811 32.600 -0.256 0.000 1.361 317 M HN 0.319 nan 8.290 nan 0.000 0.408 318 D N -0.044 120.497 120.400 0.234 0.000 2.218 318 D HA -0.106 4.535 4.640 0.001 0.000 0.204 318 D C 2.038 178.438 176.300 0.168 0.000 0.976 318 D CA 1.069 55.246 54.000 0.294 0.000 0.853 318 D CB -0.200 40.737 40.800 0.228 0.000 0.939 318 D HN 0.368 nan 8.370 nan 0.000 0.481 319 R N 0.101 120.668 120.500 0.110 0.000 2.093 319 R HA 0.005 4.346 4.340 0.001 0.000 0.224 319 R C 2.367 178.697 176.300 0.050 0.000 1.101 319 R CA 0.334 56.473 56.100 0.065 0.000 0.979 319 R CB -0.133 30.195 30.300 0.047 0.000 0.877 319 R HN 0.046 nan 8.270 nan 0.000 0.441 320 V N 1.353 121.305 119.914 0.064 0.000 2.343 320 V HA -0.180 3.941 4.120 0.001 0.000 0.247 320 V C 0.637 176.702 176.094 -0.049 0.000 1.051 320 V CA 1.402 63.719 62.300 0.027 0.000 1.036 320 V CB -0.427 31.422 31.823 0.043 0.000 0.654 320 V HN 0.325 nan 8.190 nan 0.000 0.451 321 N N -0.351 118.319 118.700 -0.050 0.000 2.762 321 N HA 0.255 4.996 4.740 0.001 0.000 0.252 321 N C -2.005 173.367 175.510 -0.230 0.000 1.269 321 N CA -1.753 51.113 53.050 -0.308 0.000 0.799 321 N CB 1.549 39.565 38.487 -0.784 0.000 1.173 321 N HN 0.002 nan 8.380 nan 0.000 0.516 322 P HA -0.050 nan 4.420 nan 0.000 0.219 322 P C 0.322 177.574 177.300 -0.081 0.000 1.146 322 P CA 0.989 64.066 63.100 -0.039 0.000 0.808 322 P CB 0.451 32.146 31.700 -0.009 0.000 0.779 323 D N -0.894 119.421 120.400 -0.141 0.000 2.269 323 D HA 0.009 4.649 4.640 0.001 0.000 0.208 323 D C 1.699 177.857 176.300 -0.237 0.000 0.963 323 D CA 1.317 55.243 54.000 -0.123 0.000 0.864 323 D CB -0.512 40.266 40.800 -0.037 0.000 0.936 323 D HN 0.115 nan 8.370 nan 0.000 0.505 324 G N 1.268 109.731 108.800 -0.561 0.000 2.611 324 G HA2 -0.421 3.540 3.960 0.001 0.000 0.301 324 G HA3 -0.421 3.540 3.960 0.001 0.000 0.301 324 G C 1.144 175.632 174.900 -0.686 0.000 1.233 324 G CA 0.586 45.076 45.100 -1.017 0.000 0.993 324 G HN 0.263 nan 8.290 nan 0.000 0.553 325 M N 0.961 120.398 119.600 -0.271 0.000 2.358 325 M HA 0.006 4.487 4.480 0.001 0.000 0.264 325 M C 2.797 179.088 176.300 -0.014 0.000 1.064 325 M CA 1.816 57.093 55.300 -0.039 0.000 1.093 325 M CB -0.317 32.353 32.600 0.116 0.000 1.401 325 M HN 0.722 nan 8.290 nan 0.000 0.440 326 A N -0.560 122.230 122.820 -0.050 0.000 2.206 326 A HA -0.086 4.235 4.320 0.001 0.000 0.211 326 A C 1.782 179.317 177.584 -0.082 0.000 1.158 326 A CA 0.349 52.347 52.037 -0.064 0.000 0.761 326 A CB -0.876 18.080 19.000 -0.073 0.000 0.801 326 A HN 0.491 nan 8.150 nan 0.000 0.473 327 F N 0.903 120.703 119.950 -0.250 0.000 2.120 327 F HA -0.244 4.284 4.527 0.001 0.000 0.300 327 F C 1.896 177.574 175.800 -0.203 0.000 1.095 327 F CA 1.592 59.415 58.000 -0.296 0.000 1.249 327 F CB -0.038 38.716 39.000 -0.410 0.000 0.995 327 F HN 0.193 nan 8.300 nan 0.000 0.480 328 I N 1.563 122.112 120.570 -0.035 0.000 2.099 328 I HA -0.223 3.948 4.170 0.001 0.000 0.239 328 I C -0.294 175.794 176.117 -0.049 0.000 1.066 328 I CA 1.851 63.144 61.300 -0.013 0.000 1.324 328 I CB -2.969 35.133 38.000 0.171 0.000 1.037 328 I HN 0.123 nan 8.210 nan 0.000 0.401 329 P HA -0.071 nan 4.420 nan 0.000 0.220 329 P C 2.247 179.454 177.300 -0.155 0.000 1.152 329 P CA 1.286 64.337 63.100 -0.082 0.000 0.812 329 P CB 0.070 31.570 31.700 -0.334 0.000 0.792 330 L N -1.343 119.745 121.223 -0.226 0.000 2.131 330 L HA 0.011 4.352 4.340 0.001 0.000 0.206 330 L C 2.730 179.409 176.870 -0.319 0.000 1.087 330 L CA 1.114 55.812 54.840 -0.237 0.000 0.767 330 L CB -0.290 41.636 42.059 -0.222 0.000 0.917 330 L HN -0.099 nan 8.230 nan 0.000 0.441 331 R N -1.312 118.835 120.500 -0.588 0.000 2.215 331 R HA 0.135 4.476 4.340 0.001 0.000 0.190 331 R C 2.105 178.095 176.300 -0.517 0.000 0.968 331 R CA 0.552 56.202 56.100 -0.750 0.000 1.122 331 R CB -0.412 28.933 30.300 -1.591 0.000 1.151 331 R HN 0.069 nan 8.270 nan 0.000 0.582 332 V N 2.535 122.103 119.914 -0.576 0.000 2.307 332 V HA -0.189 3.932 4.120 0.001 0.000 0.245 332 V C 2.461 178.628 176.094 0.123 0.000 1.045 332 V CA 1.492 63.729 62.300 -0.105 0.000 1.024 332 V CB -0.412 31.384 31.823 -0.046 0.000 0.651 332 V HN 0.092 nan 8.190 nan 0.000 0.449 333 I N 0.185 120.787 120.570 0.054 0.000 2.163 333 I HA -0.123 4.048 4.170 0.001 0.000 0.243 333 I C 0.107 176.285 176.117 0.101 0.000 1.085 333 I CA 1.775 63.136 61.300 0.102 0.000 1.347 333 I CB -2.762 35.315 38.000 0.129 0.000 1.044 333 I HN 0.341 nan 8.210 nan 0.000 0.408 334 P HA -0.175 nan 4.420 nan 0.000 0.218 334 P C 2.027 179.409 177.300 0.136 0.000 1.149 334 P CA 1.203 64.349 63.100 0.076 0.000 0.817 334 P CB -0.191 31.532 31.700 0.039 0.000 0.785 335 F N 0.248 120.242 119.950 0.073 0.000 2.102 335 F HA -0.146 4.382 4.527 0.001 0.000 0.298 335 F C 1.891 177.745 175.800 0.090 0.000 1.105 335 F CA 1.452 59.534 58.000 0.136 0.000 1.239 335 F CB -0.804 38.389 39.000 0.321 0.000 0.991 335 F HN -0.269 nan 8.300 nan 0.000 0.474 336 L N 0.086 121.409 121.223 0.166 0.000 2.093 336 L HA -0.178 4.163 4.340 0.001 0.000 0.208 336 L C 2.731 179.569 176.870 -0.054 0.000 1.085 336 L CA 1.474 56.328 54.840 0.024 0.000 0.755 336 L CB -0.722 41.414 42.059 0.128 0.000 0.904 336 L HN 0.123 nan 8.230 nan 0.000 0.435 337 R N 0.931 121.425 120.500 -0.009 0.000 2.081 337 R HA -0.213 4.128 4.340 0.001 0.000 0.235 337 R C 2.214 178.475 176.300 -0.064 0.000 1.131 337 R CA 1.915 58.002 56.100 -0.022 0.000 0.960 337 R CB -0.095 30.207 30.300 0.005 0.000 0.856 337 R HN 0.573 nan 8.270 nan 0.000 0.436 338 E N 0.268 120.413 120.200 -0.092 0.000 2.204 338 E HA -0.166 4.185 4.350 0.001 0.000 0.195 338 E C 1.123 177.618 176.600 -0.175 0.000 0.990 338 E CA 1.063 57.392 56.400 -0.119 0.000 0.821 338 E CB -0.026 29.612 29.700 -0.102 0.000 0.750 338 E HN 0.139 nan 8.360 nan 0.000 0.477 339 K N 0.097 120.344 120.400 -0.255 0.000 2.458 339 K HA 0.109 4.430 4.320 0.001 0.000 0.194 339 K C 0.979 177.501 176.600 -0.131 0.000 1.024 339 K CA 0.682 56.823 56.287 -0.242 0.000 1.108 339 K CB 0.834 33.122 32.500 -0.353 0.000 0.846 339 K HN 0.425 nan 8.250 nan 0.000 0.518 340 G N 0.863 109.605 108.800 -0.095 0.000 2.176 340 G HA2 -0.232 3.729 3.960 0.001 0.000 0.232 340 G HA3 -0.232 3.729 3.960 0.001 0.000 0.232 340 G C 0.173 175.048 174.900 -0.041 0.000 0.986 340 G CA -0.079 44.985 45.100 -0.059 0.000 0.643 340 G HN 0.115 nan 8.290 nan 0.000 0.522 341 V N 3.208 123.098 119.914 -0.039 0.000 2.521 341 V HA 0.375 4.496 4.120 0.001 0.000 0.286 341 V C -1.128 174.960 176.094 -0.011 0.000 1.034 341 V CA -0.894 61.395 62.300 -0.017 0.000 1.045 341 V CB 0.996 32.818 31.823 -0.001 0.000 0.974 341 V HN 0.226 nan 8.190 nan 0.000 0.480 342 P HA 0.133 nan 4.420 nan 0.000 0.274 342 P C 0.516 177.818 177.300 0.002 0.000 1.231 342 P CA -0.337 62.760 63.100 -0.006 0.000 0.790 342 P CB 0.755 32.450 31.700 -0.008 0.000 0.951 343 Q N 2.116 121.919 119.800 0.005 0.000 2.082 343 Q HA -0.293 4.048 4.340 0.001 0.000 0.211 343 Q C 1.383 177.390 176.000 0.012 0.000 1.002 343 Q CA 2.533 58.344 55.803 0.013 0.000 0.868 343 Q CB -0.793 27.951 28.738 0.011 0.000 0.931 343 Q HN 0.408 nan 8.270 nan 0.000 0.414 344 E N -0.682 119.521 120.200 0.005 0.000 2.204 344 E HA -0.091 4.260 4.350 0.001 0.000 0.194 344 E C 1.953 178.552 176.600 -0.002 0.000 0.989 344 E CA 1.582 57.983 56.400 0.002 0.000 0.824 344 E CB -0.279 29.421 29.700 -0.001 0.000 0.756 344 E HN 0.436 nan 8.360 nan 0.000 0.477 345 T N 0.604 115.156 114.554 -0.003 0.000 2.896 345 T HA 0.018 4.369 4.350 0.001 0.000 0.263 345 T C 1.807 176.503 174.700 -0.007 0.000 1.050 345 T CA 0.562 62.658 62.100 -0.006 0.000 1.140 345 T CB -0.137 68.728 68.868 -0.005 0.000 0.877 345 T HN 0.063 nan 8.240 nan 0.000 0.457 346 L N 0.924 122.149 121.223 0.003 0.000 2.046 346 L HA -0.082 4.259 4.340 0.001 0.000 0.208 346 L C 3.040 179.903 176.870 -0.013 0.000 1.077 346 L CA 1.296 56.140 54.840 0.008 0.000 0.747 346 L CB -0.667 41.413 42.059 0.036 0.000 0.896 346 L HN 0.234 nan 8.230 nan 0.000 0.432 347 A N 0.292 123.112 122.820 0.000 0.000 1.898 347 A HA -0.082 4.239 4.320 0.001 0.000 0.216 347 A C 2.424 179.984 177.584 -0.040 0.000 1.181 347 A CA 1.567 53.601 52.037 -0.005 0.000 0.620 347 A CB -1.230 17.782 19.000 0.019 0.000 0.819 347 A HN 0.429 nan 8.150 nan 0.000 0.442 348 G N 0.127 108.909 108.800 -0.031 0.000 2.446 348 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 348 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 348 G C 1.531 176.395 174.900 -0.059 0.000 1.168 348 G CA 1.194 46.273 45.100 -0.035 0.000 0.771 348 G HN 0.473 nan 8.290 nan 0.000 0.551 349 I N 1.348 121.877 120.570 -0.069 0.000 2.252 349 I HA -0.144 4.026 4.170 0.001 0.000 0.245 349 I C 3.091 179.110 176.117 -0.164 0.000 1.102 349 I CA 1.757 63.002 61.300 -0.091 0.000 1.385 349 I CB -0.292 37.669 38.000 -0.066 0.000 1.064 349 I HN 0.345 nan 8.210 nan 0.000 0.414 350 T N -2.846 111.555 114.554 -0.254 0.000 3.067 350 T HA 0.094 4.445 4.350 0.001 0.000 0.257 350 T C 1.435 175.882 174.700 -0.422 0.000 1.105 350 T CA 0.509 62.295 62.100 -0.524 0.000 1.104 350 T CB 0.117 68.375 68.868 -1.016 0.000 0.925 350 T HN 0.129 nan 8.240 nan 0.000 0.498 351 V N 0.678 120.467 119.914 -0.208 0.000 2.948 351 V HA 0.054 4.174 4.120 0.001 0.000 0.234 351 V C 2.788 178.850 176.094 -0.053 0.000 1.205 351 V CA 1.087 63.328 62.300 -0.099 0.000 1.234 351 V CB -0.312 31.493 31.823 -0.031 0.000 1.020 351 V HN 0.372 nan 8.190 nan 0.000 0.491 352 T N 1.135 115.662 114.554 -0.046 0.000 2.674 352 T HA -0.154 4.197 4.350 0.001 0.000 0.265 352 T C 1.804 176.494 174.700 -0.018 0.000 1.039 352 T CA 1.915 64.000 62.100 -0.025 0.000 1.150 352 T CB -0.354 68.503 68.868 -0.020 0.000 0.864 352 T HN 0.332 nan 8.240 nan 0.000 0.427 353 N N 1.619 120.299 118.700 -0.033 0.000 2.043 353 N HA -0.066 4.675 4.740 0.001 0.000 0.193 353 N C -0.952 174.567 175.510 0.015 0.000 1.037 353 N CA 1.323 54.358 53.050 -0.025 0.000 0.851 353 N CB -1.595 36.855 38.487 -0.062 0.000 1.027 353 N HN 0.333 nan 8.380 nan 0.000 0.422 354 P HA -0.059 nan 4.420 nan 0.000 0.215 354 P C 1.061 178.414 177.300 0.088 0.000 1.153 354 P CA 1.628 64.767 63.100 0.065 0.000 0.853 354 P CB -0.111 31.597 31.700 0.014 0.000 0.788 355 A N -0.038 122.803 122.820 0.034 0.000 1.902 355 A HA -0.209 4.112 4.320 0.001 0.000 0.217 355 A C 2.465 180.062 177.584 0.022 0.000 1.181 355 A CA 1.634 53.681 52.037 0.017 0.000 0.623 355 A CB -1.204 17.797 19.000 0.001 0.000 0.818 355 A HN 0.031 nan 8.150 nan 0.000 0.443 356 R N -1.925 118.598 120.500 0.040 0.000 2.092 356 R HA -0.123 4.218 4.340 0.001 0.000 0.231 356 R C 1.959 178.307 176.300 0.079 0.000 1.119 356 R CA 1.619 57.743 56.100 0.040 0.000 0.970 356 R CB -0.396 29.927 30.300 0.038 0.000 0.864 356 R HN 0.485 nan 8.270 nan 0.000 0.440 357 F N 1.371 121.288 119.950 -0.056 0.000 2.075 357 F HA -0.129 4.399 4.527 0.002 0.000 0.297 357 F C 1.793 177.553 175.800 -0.066 0.000 1.113 357 F CA 1.471 59.433 58.000 -0.062 0.000 1.218 357 F CB -0.418 38.547 39.000 -0.059 0.000 0.984 357 F HN -0.038 nan 8.300 nan 0.000 0.472 358 L N -0.569 120.591 121.223 -0.105 0.000 2.141 358 L HA -0.105 4.236 4.340 0.001 0.000 0.209 358 L C 1.433 178.196 176.870 -0.178 0.000 1.094 358 L CA 0.730 55.444 54.840 -0.211 0.000 0.763 358 L CB -0.918 41.084 42.059 -0.094 0.000 0.908 358 L HN 0.040 nan 8.230 nan 0.000 0.437 359 S N 0.996 116.629 115.700 -0.112 0.000 2.546 359 S HA 0.090 4.560 4.470 0.001 0.000 0.290 359 S C -2.170 172.355 174.600 -0.125 0.000 1.262 359 S CA -1.342 56.799 58.200 -0.098 0.000 1.083 359 S CB 0.237 63.398 63.200 -0.064 0.000 0.859 359 S HN -0.078 nan 8.310 nan 0.000 0.495 360 P HA 0.169 nan 4.420 nan 0.000 0.267 360 P C -0.987 176.252 177.300 -0.102 0.000 1.209 360 P CA 0.076 63.100 63.100 -0.128 0.000 0.763 360 P CB 0.548 32.179 31.700 -0.115 0.000 0.816 361 T N 4.412 118.902 114.554 -0.106 0.000 2.949 361 T HA 0.401 4.752 4.350 0.001 0.000 0.300 361 T C 0.001 174.656 174.700 -0.074 0.000 0.988 361 T CA -0.536 61.516 62.100 -0.081 0.000 0.993 361 T CB 0.378 69.201 68.868 -0.075 0.000 0.984 361 T HN 0.110 nan 8.240 nan 0.000 0.442 362 L N 2.639 123.826 121.223 -0.060 0.000 2.371 362 L HA 0.531 4.872 4.340 0.001 0.000 0.272 362 L C 0.986 177.831 176.870 -0.043 0.000 1.124 362 L CA -1.002 53.807 54.840 -0.051 0.000 0.816 362 L CB 0.610 42.643 42.059 -0.043 0.000 1.129 362 L HN 0.539 nan 8.230 nan 0.000 0.448 363 R N 2.644 123.120 120.500 -0.039 0.000 2.570 363 R HA 0.341 4.682 4.340 0.001 0.000 0.277 363 R C -0.131 176.153 176.300 -0.026 0.000 1.039 363 R CA -0.133 55.947 56.100 -0.033 0.000 1.065 363 R CB 0.664 30.948 30.300 -0.028 0.000 0.964 363 R HN 0.718 nan 8.270 nan 0.000 0.428 364 A N 3.958 126.764 122.820 -0.024 0.000 2.498 364 A HA 0.192 4.513 4.320 0.001 0.000 0.239 364 A C 0.123 177.697 177.584 -0.015 0.000 1.068 364 A CA 0.108 52.133 52.037 -0.019 0.000 0.766 364 A CB 0.041 19.030 19.000 -0.018 0.000 1.003 364 A HN 0.971 nan 8.150 nan 0.000 0.497 365 S N 0.000 115.692 115.700 -0.013 0.000 2.498 365 S HA 0.000 4.471 4.470 0.001 0.000 0.327 365 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 365 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517