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 1i0b_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 0.000 176.273 176.300 -0.046 0.000 2.045 35 D CA 0.000 53.976 54.000 -0.039 0.000 0.868 35 D CB 0.000 40.782 40.800 -0.031 0.000 0.688 36 R N 0.047 120.514 120.500 -0.054 0.000 2.725 36 R HA 0.744 5.084 4.340 0.001 0.000 0.277 36 R C -1.063 175.191 176.300 -0.076 0.000 0.987 36 R CA -0.649 55.414 56.100 -0.062 0.000 0.901 36 R CB 2.358 32.626 30.300 -0.053 0.000 1.207 36 R HN -0.027 nan 8.270 nan 0.000 0.463 37 I N 1.760 122.277 120.570 -0.088 0.000 2.404 37 I HA 0.289 4.460 4.170 0.001 0.000 0.293 37 I C -0.434 175.627 176.117 -0.093 0.000 0.992 37 I CA -0.725 60.516 61.300 -0.098 0.000 1.149 37 I CB 2.086 40.023 38.000 -0.106 0.000 1.315 37 I HN 0.503 nan 8.210 nan 0.000 0.446 38 N N 3.780 122.429 118.700 -0.085 0.000 2.488 38 N HA 0.341 5.082 4.740 0.001 0.000 0.274 38 N C -0.381 175.094 175.510 -0.058 0.000 1.111 38 N CA -0.124 52.885 53.050 -0.068 0.000 0.974 38 N CB 1.046 39.493 38.487 -0.066 0.000 1.089 38 N HN 0.653 nan 8.380 nan 0.000 0.465 39 T N -2.510 112.022 114.554 -0.038 0.000 2.907 39 T HA 0.234 4.585 4.350 0.001 0.000 0.290 39 T C 1.154 175.859 174.700 0.009 0.000 1.066 39 T CA -0.930 61.165 62.100 -0.009 0.000 1.012 39 T CB 0.978 69.855 68.868 0.016 0.000 1.184 39 T HN 0.175 nan 8.240 nan 0.000 0.522 40 V N -0.839 119.090 119.914 0.025 0.000 3.241 40 V HA 0.172 4.292 4.120 0.001 0.000 0.269 40 V C 1.679 177.792 176.094 0.032 0.000 1.151 40 V CA 0.847 63.163 62.300 0.025 0.000 1.158 40 V CB -1.265 30.574 31.823 0.027 0.000 0.764 40 V HN 0.837 nan 8.190 nan 0.000 0.508 41 R N 0.634 121.160 120.500 0.044 0.000 2.397 41 R HA 0.547 4.887 4.340 0.001 0.000 0.241 41 R C 0.901 177.221 176.300 0.034 0.000 0.914 41 R CA 0.500 56.628 56.100 0.046 0.000 1.071 41 R CB 0.898 31.239 30.300 0.069 0.000 1.116 41 R HN 0.719 nan 8.270 nan 0.000 0.524 42 G N 1.483 110.295 108.800 0.020 0.000 2.343 42 G HA2 -0.133 3.827 3.960 0.001 0.000 0.562 42 G HA3 -0.133 3.827 3.960 0.001 0.000 0.562 42 G C -3.073 171.818 174.900 -0.015 0.000 1.269 42 G CA -1.270 43.833 45.100 0.005 0.000 1.011 42 G HN -0.143 nan 8.290 nan 0.000 0.498 43 P HA 0.596 nan 4.420 nan 0.000 0.278 43 P C -0.059 177.203 177.300 -0.064 0.000 1.238 43 P CA -0.212 62.859 63.100 -0.048 0.000 0.794 43 P CB 0.874 32.551 31.700 -0.040 0.000 0.955 44 I N -1.881 118.625 120.570 -0.106 0.000 2.892 44 I HA 0.640 4.811 4.170 0.001 0.000 0.306 44 I C 0.145 176.195 176.117 -0.112 0.000 1.078 44 I CA -1.115 60.099 61.300 -0.143 0.000 1.032 44 I CB 2.146 39.949 38.000 -0.328 0.000 1.229 44 I HN 0.238 nan 8.210 nan 0.000 0.435 45 T N 0.861 115.363 114.554 -0.087 0.000 2.899 45 T HA 0.303 4.653 4.350 0.001 0.000 0.295 45 T C 1.344 176.004 174.700 -0.068 0.000 1.033 45 T CA -0.679 61.385 62.100 -0.061 0.000 1.084 45 T CB 0.907 69.753 68.868 -0.036 0.000 0.979 45 T HN 0.516 nan 8.240 nan 0.000 0.532 46 I N 1.994 122.533 120.570 -0.053 0.000 2.315 46 I HA -0.198 3.972 4.170 0.001 0.000 0.251 46 I C 2.645 178.744 176.117 -0.031 0.000 1.125 46 I CA 1.675 62.948 61.300 -0.046 0.000 1.392 46 I CB -2.146 35.833 38.000 -0.036 0.000 1.065 46 I HN 0.853 nan 8.210 nan 0.000 0.424 47 S N 0.514 116.201 115.700 -0.021 0.000 2.453 47 S HA -0.102 4.369 4.470 0.001 0.000 0.231 47 S C 1.624 176.231 174.600 0.012 0.000 1.005 47 S CA 0.568 58.768 58.200 -0.001 0.000 0.949 47 S CB -0.410 62.793 63.200 0.005 0.000 0.774 47 S HN 0.560 nan 8.310 nan 0.000 0.510 48 E N 1.630 121.825 120.200 -0.008 0.000 2.358 48 E HA 0.152 4.502 4.350 0.001 0.000 0.195 48 E C 2.191 178.810 176.600 0.031 0.000 1.010 48 E CA 0.538 56.952 56.400 0.023 0.000 0.856 48 E CB -0.277 29.407 29.700 -0.027 0.000 0.795 48 E HN 0.657 nan 8.360 nan 0.000 0.504 49 A N 1.609 124.412 122.820 -0.028 0.000 1.902 49 A HA 0.020 4.340 4.320 0.001 0.000 0.217 49 A C 1.652 179.311 177.584 0.126 0.000 1.181 49 A CA 1.382 53.432 52.037 0.021 0.000 0.623 49 A CB -1.082 17.910 19.000 -0.013 0.000 0.818 49 A HN 0.345 nan 8.150 nan 0.000 0.443 50 G N -1.329 107.531 108.800 0.100 0.000 2.578 50 G HA2 -0.259 3.702 3.960 0.001 0.000 0.275 50 G HA3 -0.259 3.702 3.960 0.001 0.000 0.275 50 G C 0.052 175.050 174.900 0.163 0.000 1.271 50 G CA 0.108 45.287 45.100 0.131 0.000 0.941 50 G HN 1.149 nan 8.290 nan 0.000 0.564 51 F N 2.901 122.876 119.950 0.041 0.000 2.571 51 F HA 0.467 4.995 4.527 0.001 0.000 0.390 51 F C 0.955 176.782 175.800 0.046 0.000 1.043 51 F CA 0.890 58.912 58.000 0.035 0.000 1.164 51 F CB 0.107 39.122 39.000 0.025 0.000 1.049 51 F HN 0.499 nan 8.300 nan 0.000 0.552 52 T N 7.469 122.095 114.554 0.119 0.000 2.863 52 T HA 0.483 4.834 4.350 0.001 0.000 0.285 52 T C -0.437 174.326 174.700 0.106 0.000 1.009 52 T CA -0.711 61.478 62.100 0.150 0.000 0.989 52 T CB 1.464 70.378 68.868 0.078 0.000 1.004 52 T HN 0.370 nan 8.240 nan 0.000 0.455 53 L N 3.237 124.558 121.223 0.163 0.000 2.255 53 L HA 0.316 4.657 4.340 0.001 0.000 0.289 53 L C 1.642 178.569 176.870 0.095 0.000 1.046 53 L CA -0.573 54.351 54.840 0.140 0.000 0.816 53 L CB 1.018 43.179 42.059 0.170 0.000 1.197 53 L HN 0.911 nan 8.230 nan 0.000 0.427 54 T N -1.991 112.608 114.554 0.074 0.000 3.129 54 T HA -0.020 4.330 4.350 0.001 0.000 0.251 54 T C 0.433 175.184 174.700 0.085 0.000 1.117 54 T CA 0.311 62.457 62.100 0.077 0.000 1.034 54 T CB -0.349 68.556 68.868 0.063 0.000 0.968 54 T HN 0.594 nan 8.240 nan 0.000 0.526 55 H N 0.471 119.528 119.070 -0.022 0.000 3.162 55 H HA 0.458 5.015 4.556 0.001 0.000 0.309 55 H C -1.039 174.239 175.328 -0.084 0.000 1.156 55 H CA -0.538 55.469 56.048 -0.067 0.000 1.586 55 H CB 0.566 30.294 29.762 -0.057 0.000 1.740 55 H HN 0.072 nan 8.280 nan 0.000 0.525 56 E N 2.352 122.449 120.200 -0.171 0.000 2.460 56 E HA 0.381 4.731 4.350 0.001 0.000 0.277 56 E C -0.975 175.264 176.600 -0.602 0.000 1.010 56 E CA -0.915 55.387 56.400 -0.163 0.000 0.838 56 E CB 2.177 31.871 29.700 -0.009 0.000 1.448 56 E HN 0.575 nan 8.360 nan 0.000 0.462 57 H N 0.175 119.201 119.070 -0.073 0.000 3.046 57 H HA 0.300 4.857 4.556 0.001 0.000 0.363 57 H C 0.766 176.034 175.328 -0.100 0.000 1.203 57 H CA -0.521 55.449 56.048 -0.130 0.000 1.169 57 H CB 1.695 31.318 29.762 -0.232 0.000 1.851 57 H HN 0.265 nan 8.280 nan 0.000 0.546 58 I N 0.308 120.940 120.570 0.104 0.000 2.400 58 I HA -0.038 4.132 4.170 0.001 0.000 0.248 58 I C 1.120 177.309 176.117 0.119 0.000 1.109 58 I CA 1.030 62.452 61.300 0.202 0.000 1.425 58 I CB 0.079 38.176 38.000 0.161 0.000 1.094 58 I HN 0.345 nan 8.210 nan 0.000 0.425 59 C N 0.397 119.702 119.300 0.008 0.000 2.782 59 C HA 0.738 5.198 4.460 0.001 0.000 0.328 59 C C 0.227 175.115 174.990 -0.171 0.000 1.145 59 C CA -0.578 58.388 59.018 -0.087 0.000 1.358 59 C CB 0.776 28.419 27.740 -0.162 0.000 1.841 59 C HN 0.509 nan 8.230 nan 0.000 0.477 60 G N 3.585 112.243 108.800 -0.238 0.000 2.504 60 G HA2 0.557 4.518 3.960 0.001 0.000 0.326 60 G HA3 0.557 4.518 3.960 0.001 0.000 0.326 60 G C -0.184 174.667 174.900 -0.082 0.000 1.073 60 G CA 0.264 45.133 45.100 -0.386 0.000 1.030 60 G HN 1.006 nan 8.290 nan 0.000 0.448 61 S N 1.216 116.824 115.700 -0.154 0.000 3.952 61 S HA 0.842 5.313 4.470 0.001 0.000 0.293 61 S C -0.182 174.317 174.600 -0.167 0.000 1.090 61 S CA -0.330 57.808 58.200 -0.103 0.000 1.264 61 S CB 1.129 64.373 63.200 0.072 0.000 1.393 61 S HN 0.579 nan 8.310 nan 0.000 0.757 62 S N 0.395 116.032 115.700 -0.105 0.000 2.588 62 S HA 0.770 5.240 4.470 0.001 0.000 0.275 62 S C -0.797 173.778 174.600 -0.042 0.000 1.130 62 S CA -0.253 57.901 58.200 -0.075 0.000 0.855 62 S CB 1.453 64.611 63.200 -0.070 0.000 1.116 62 S HN 1.058 nan 8.310 nan 0.000 0.472 63 A N 0.643 123.347 122.820 -0.194 0.000 2.567 63 A HA 0.469 4.790 4.320 0.001 0.000 0.240 63 A C 1.558 179.108 177.584 -0.056 0.000 1.053 63 A CA 0.700 52.544 52.037 -0.322 0.000 0.755 63 A CB -1.291 17.221 19.000 -0.814 0.000 0.978 63 A HN 2.100 nan 8.150 nan 0.000 0.507 64 G N 1.503 110.306 108.800 0.006 0.000 2.196 64 G HA2 -0.387 3.574 3.960 0.001 0.000 0.268 64 G HA3 -0.387 3.574 3.960 0.001 0.000 0.268 64 G C 0.827 175.813 174.900 0.143 0.000 0.975 64 G CA 1.120 46.268 45.100 0.080 0.000 0.648 64 G HN 1.230 nan 8.290 nan 0.000 0.538 65 F N 0.575 120.555 119.950 0.051 0.000 2.102 65 F HA 0.107 4.634 4.527 0.001 0.000 0.298 65 F C 2.467 178.392 175.800 0.209 0.000 1.105 65 F CA 2.230 60.302 58.000 0.121 0.000 1.239 65 F CB -0.252 38.791 39.000 0.071 0.000 0.991 65 F HN 0.229 nan 8.300 nan 0.000 0.474 66 L N 0.788 122.216 121.223 0.342 0.000 2.131 66 L HA -0.159 4.182 4.340 0.001 0.000 0.210 66 L C 2.273 179.231 176.870 0.146 0.000 1.092 66 L CA 1.715 56.718 54.840 0.270 0.000 0.759 66 L CB -0.606 41.510 42.059 0.095 0.000 0.903 66 L HN 0.027 nan 8.230 nan 0.000 0.435 67 R N -0.607 119.952 120.500 0.098 0.000 2.161 67 R HA 0.161 4.501 4.340 0.001 0.000 0.213 67 R C 2.032 178.363 176.300 0.050 0.000 1.055 67 R CA 0.955 57.098 56.100 0.071 0.000 0.996 67 R CB -0.502 29.835 30.300 0.061 0.000 0.901 67 R HN 0.493 nan 8.270 nan 0.000 0.456 68 A N -0.412 122.418 122.820 0.016 0.000 2.021 68 A HA -0.049 4.272 4.320 0.001 0.000 0.216 68 A C 0.528 178.114 177.584 0.003 0.000 1.163 68 A CA 0.378 52.402 52.037 -0.021 0.000 0.676 68 A CB 0.034 18.999 19.000 -0.059 0.000 0.818 68 A HN 0.395 nan 8.150 nan 0.000 0.453 69 W N 0.844 121.966 121.300 -0.297 0.000 1.485 69 W HA 0.383 5.043 4.660 0.001 0.000 0.305 69 W C -2.619 173.864 176.519 -0.060 0.000 0.879 69 W CA -2.435 54.748 57.345 -0.270 0.000 1.822 69 W CB 0.898 29.988 29.460 -0.616 0.000 1.990 69 W HN 0.118 nan 8.180 nan 0.000 0.441 70 P HA -0.221 nan 4.420 nan 0.000 0.218 70 P C 0.923 178.417 177.300 0.324 0.000 1.148 70 P CA 1.906 65.205 63.100 0.332 0.000 0.822 70 P CB 0.438 32.264 31.700 0.210 0.000 0.784 71 E N -1.032 119.321 120.200 0.254 0.000 2.333 71 E HA -0.147 4.204 4.350 0.001 0.000 0.198 71 E C 1.616 178.197 176.600 -0.031 0.000 1.007 71 E CA 0.538 57.036 56.400 0.163 0.000 0.845 71 E CB -1.204 28.628 29.700 0.221 0.000 0.766 71 E HN 0.276 nan 8.360 nan 0.000 0.507 72 F N -0.313 119.359 119.950 -0.463 0.000 2.269 72 F HA -0.110 4.417 4.527 0.001 0.000 0.301 72 F C 0.794 176.202 175.800 -0.653 0.000 1.082 72 F CA 1.045 58.529 58.000 -0.860 0.000 1.360 72 F CB 0.140 38.342 39.000 -1.331 0.000 1.041 72 F HN -0.042 nan 8.300 nan 0.000 0.512 73 F N -0.411 119.555 119.950 0.027 0.000 2.647 73 F HA 0.405 4.933 4.527 0.001 0.000 0.300 73 F C 1.537 177.328 175.800 -0.015 0.000 1.106 73 F CA 0.382 58.394 58.000 0.020 0.000 1.313 73 F CB 0.386 39.471 39.000 0.141 0.000 1.007 73 F HN 0.108 nan 8.300 nan 0.000 0.536 74 G N 0.753 109.595 108.800 0.070 0.000 3.586 74 G HA2 -0.231 3.729 3.960 0.001 0.000 0.212 74 G HA3 -0.231 3.729 3.960 0.001 0.000 0.212 74 G C 0.227 175.186 174.900 0.098 0.000 1.411 74 G CA 0.080 45.212 45.100 0.053 0.000 0.898 74 G HN 0.886 nan 8.290 nan 0.000 0.575 75 S N -1.366 114.420 115.700 0.144 0.000 2.611 75 S HA 0.657 5.127 4.470 0.001 0.000 0.270 75 S C 0.283 174.962 174.600 0.132 0.000 1.131 75 S CA 0.615 58.895 58.200 0.133 0.000 0.826 75 S CB 1.548 64.799 63.200 0.085 0.000 1.095 75 S HN 0.839 nan 8.310 nan 0.000 0.461 76 R N 1.020 121.584 120.500 0.107 0.000 2.081 76 R HA -0.054 4.286 4.340 0.001 0.000 0.235 76 R C 2.136 178.457 176.300 0.035 0.000 1.131 76 R CA 1.804 57.942 56.100 0.064 0.000 0.960 76 R CB -0.420 29.912 30.300 0.054 0.000 0.856 76 R HN 0.770 nan 8.270 nan 0.000 0.436 77 K N -0.137 120.286 120.400 0.038 0.000 2.057 77 K HA -0.134 4.187 4.320 0.001 0.000 0.207 77 K C 1.907 178.518 176.600 0.017 0.000 1.049 77 K CA 1.459 57.758 56.287 0.021 0.000 0.931 77 K CB -0.148 32.364 32.500 0.020 0.000 0.714 77 K HN 0.238 nan 8.250 nan 0.000 0.440 78 A N 1.297 124.139 122.820 0.037 0.000 1.877 78 A HA -0.167 4.153 4.320 0.001 0.000 0.216 78 A C 2.055 179.658 177.584 0.032 0.000 1.186 78 A CA 1.473 53.532 52.037 0.038 0.000 0.620 78 A CB -0.687 18.350 19.000 0.061 0.000 0.822 78 A HN 0.399 nan 8.150 nan 0.000 0.443 79 L N -0.173 121.077 121.223 0.045 0.000 2.017 79 L HA -0.083 4.258 4.340 0.001 0.000 0.208 79 L C 2.661 179.511 176.870 -0.032 0.000 1.073 79 L CA 2.314 57.167 54.840 0.021 0.000 0.745 79 L CB -0.867 41.172 42.059 -0.033 0.000 0.894 79 L HN 0.350 nan 8.230 nan 0.000 0.432 80 A N -0.678 122.120 122.820 -0.038 0.000 1.883 80 A HA -0.246 4.075 4.320 0.001 0.000 0.217 80 A C 2.156 179.684 177.584 -0.094 0.000 1.186 80 A CA 1.928 53.928 52.037 -0.061 0.000 0.624 80 A CB -0.727 18.251 19.000 -0.037 0.000 0.822 80 A HN 0.631 nan 8.150 nan 0.000 0.444 81 E N -0.549 119.611 120.200 -0.067 0.000 2.077 81 E HA -0.225 4.125 4.350 0.001 0.000 0.193 81 E C 2.114 178.640 176.600 -0.122 0.000 0.989 81 E CA 1.417 57.772 56.400 -0.076 0.000 0.800 81 E CB -0.157 29.519 29.700 -0.040 0.000 0.746 81 E HN 0.670 nan 8.360 nan 0.000 0.452 82 K N 0.769 121.099 120.400 -0.117 0.000 2.057 82 K HA -0.153 4.168 4.320 0.001 0.000 0.207 82 K C 2.138 178.453 176.600 -0.476 0.000 1.049 82 K CA 1.217 57.411 56.287 -0.155 0.000 0.931 82 K CB -0.092 32.396 32.500 -0.021 0.000 0.714 82 K HN 0.086 nan 8.250 nan 0.000 0.440 83 A N 0.514 122.985 122.820 -0.581 0.000 1.898 83 A HA -0.091 4.229 4.320 0.001 0.000 0.216 83 A C 2.228 179.393 177.584 -0.697 0.000 1.181 83 A CA 1.483 52.846 52.037 -1.123 0.000 0.620 83 A CB -0.607 18.110 19.000 -0.473 0.000 0.819 83 A HN 0.170 nan 8.150 nan 0.000 0.442 84 V N 0.188 119.894 119.914 -0.346 0.000 2.332 84 V HA -0.293 3.827 4.120 0.001 0.000 0.248 84 V C 2.672 178.648 176.094 -0.196 0.000 1.055 84 V CA 2.301 64.475 62.300 -0.210 0.000 1.038 84 V CB -0.824 30.922 31.823 -0.128 0.000 0.651 84 V HN 0.527 nan 8.190 nan 0.000 0.450 85 R N -0.023 120.356 120.500 -0.201 0.000 2.073 85 R HA -0.124 4.216 4.340 0.001 0.000 0.234 85 R C 2.493 178.722 176.300 -0.119 0.000 1.134 85 R CA 1.603 57.626 56.100 -0.129 0.000 0.952 85 R CB -0.928 29.318 30.300 -0.091 0.000 0.850 85 R HN 0.593 nan 8.270 nan 0.000 0.433 86 G N 1.125 109.792 108.800 -0.221 0.000 2.421 86 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 86 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 86 G C 1.475 176.399 174.900 0.040 0.000 1.171 86 G CA 0.412 45.500 45.100 -0.019 0.000 0.775 86 G HN 0.120 nan 8.290 nan 0.000 0.543 87 L N -0.276 120.901 121.223 -0.078 0.000 2.083 87 L HA -0.041 4.299 4.340 0.001 0.000 0.209 87 L C 3.175 180.038 176.870 -0.011 0.000 1.083 87 L CA 0.893 55.745 54.840 0.019 0.000 0.752 87 L CB -0.290 41.757 42.059 -0.020 0.000 0.899 87 L HN 0.158 nan 8.230 nan 0.000 0.433 88 R N -0.298 120.175 120.500 -0.046 0.000 2.096 88 R HA -0.143 4.197 4.340 0.001 0.000 0.235 88 R C 2.431 178.710 176.300 -0.034 0.000 1.127 88 R CA 1.218 57.292 56.100 -0.043 0.000 0.968 88 R CB -0.209 30.061 30.300 -0.050 0.000 0.861 88 R HN 0.299 nan 8.270 nan 0.000 0.440 89 R N 0.156 120.643 120.500 -0.022 0.000 2.075 89 R HA -0.045 4.295 4.340 0.001 0.000 0.232 89 R C 2.288 178.572 176.300 -0.026 0.000 1.126 89 R CA 1.452 57.541 56.100 -0.019 0.000 0.963 89 R CB -0.275 30.023 30.300 -0.003 0.000 0.858 89 R HN 0.194 nan 8.270 nan 0.000 0.435 90 A N 0.801 123.620 122.820 -0.002 0.000 1.930 90 A HA -0.169 4.152 4.320 0.001 0.000 0.217 90 A C 2.083 179.626 177.584 -0.069 0.000 1.175 90 A CA 1.349 53.372 52.037 -0.024 0.000 0.627 90 A CB -0.436 18.586 19.000 0.037 0.000 0.815 90 A HN 0.252 nan 8.150 nan 0.000 0.443 91 R N -0.169 120.302 120.500 -0.048 0.000 2.081 91 R HA -0.102 4.238 4.340 0.001 0.000 0.235 91 R C 2.216 178.464 176.300 -0.086 0.000 1.131 91 R CA 1.527 57.587 56.100 -0.066 0.000 0.960 91 R CB -0.455 29.813 30.300 -0.052 0.000 0.856 91 R HN 0.397 nan 8.270 nan 0.000 0.436 92 A N 0.595 123.371 122.820 -0.072 0.000 1.978 92 A HA -0.101 4.220 4.320 0.001 0.000 0.220 92 A C 2.214 179.738 177.584 -0.099 0.000 1.170 92 A CA 1.682 53.675 52.037 -0.073 0.000 0.636 92 A CB -0.640 18.326 19.000 -0.056 0.000 0.810 92 A HN 0.550 nan 8.150 nan 0.000 0.448 93 A N -2.317 120.426 122.820 -0.128 0.000 2.238 93 A HA 0.412 4.733 4.320 0.001 0.000 0.208 93 A C 1.757 179.163 177.584 -0.296 0.000 1.177 93 A CA 1.308 53.235 52.037 -0.183 0.000 0.804 93 A CB -0.642 18.253 19.000 -0.175 0.000 0.823 93 A HN 1.802 nan 8.150 nan 0.000 0.482 94 G N -2.131 106.502 108.800 -0.279 0.000 2.231 94 G HA2 -0.168 3.792 3.960 0.001 0.000 0.206 94 G HA3 -0.168 3.792 3.960 0.001 0.000 0.206 94 G C 0.145 174.776 174.900 -0.449 0.000 0.996 94 G CA -0.078 44.797 45.100 -0.376 0.000 0.645 94 G HN 0.657 nan 8.290 nan 0.000 0.498 95 V N 2.879 122.567 119.914 -0.375 0.000 2.479 95 V HA 0.318 4.438 4.120 0.001 0.000 0.281 95 V C 1.575 177.666 176.094 -0.004 0.000 1.031 95 V CA 0.129 62.345 62.300 -0.141 0.000 1.038 95 V CB 1.203 32.995 31.823 -0.050 0.000 0.981 95 V HN 0.349 nan 8.190 nan 0.000 0.478 96 R N 2.477 123.042 120.500 0.109 0.000 2.195 96 R HA 0.219 4.560 4.340 0.001 0.000 0.197 96 R C 0.331 176.719 176.300 0.146 0.000 0.990 96 R CA 0.429 56.590 56.100 0.100 0.000 1.048 96 R CB 0.410 30.805 30.300 0.157 0.000 0.997 96 R HN 0.648 nan 8.270 nan 0.000 0.502 97 T N 1.798 116.471 114.554 0.198 0.000 2.916 97 T HA 0.593 4.944 4.350 0.001 0.000 0.305 97 T C -0.433 174.362 174.700 0.158 0.000 1.119 97 T CA -0.652 61.569 62.100 0.201 0.000 1.008 97 T CB 2.433 71.423 68.868 0.205 0.000 1.129 97 T HN 0.178 nan 8.240 nan 0.000 0.480 98 I N -1.043 119.602 120.570 0.126 0.000 2.608 98 I HA 0.853 5.024 4.170 0.001 0.000 0.295 98 I C -1.279 174.871 176.117 0.056 0.000 1.049 98 I CA -1.266 60.092 61.300 0.098 0.000 1.063 98 I CB 1.965 40.025 38.000 0.099 0.000 1.248 98 I HN 0.294 nan 8.210 nan 0.000 0.424 99 V N 4.451 124.379 119.914 0.023 0.000 2.318 99 V HA 0.230 4.350 4.120 0.001 0.000 0.271 99 V C -0.276 175.754 176.094 -0.107 0.000 1.030 99 V CA -0.174 62.111 62.300 -0.026 0.000 0.844 99 V CB 0.896 32.712 31.823 -0.011 0.000 1.015 99 V HN 0.734 nan 8.190 nan 0.000 0.460 100 D N 4.530 124.865 120.400 -0.109 0.000 2.393 100 D HA 0.096 4.737 4.640 0.001 0.000 0.232 100 D C 0.848 177.012 176.300 -0.225 0.000 1.192 100 D CA -0.285 53.607 54.000 -0.180 0.000 0.882 100 D CB 1.793 42.547 40.800 -0.077 0.000 1.038 100 D HN 0.461 nan 8.370 nan 0.000 0.499 101 V N 1.741 121.405 119.914 -0.417 0.000 3.544 101 V HA 0.187 4.307 4.120 0.001 0.000 0.304 101 V C 0.365 176.336 176.094 -0.206 0.000 1.256 101 V CA -0.446 61.631 62.300 -0.372 0.000 1.232 101 V CB -0.949 30.541 31.823 -0.555 0.000 1.065 101 V HN 0.270 nan 8.190 nan 0.000 0.423 102 S N 2.491 118.137 115.700 -0.090 0.000 2.474 102 S HA 0.457 4.927 4.470 0.001 0.000 0.276 102 S C 0.791 175.374 174.600 -0.028 0.000 1.227 102 S CA 0.142 58.333 58.200 -0.015 0.000 1.050 102 S CB 0.873 64.085 63.200 0.019 0.000 0.939 102 S HN 0.878 nan 8.310 nan 0.000 0.490 103 T N 0.527 115.071 114.554 -0.016 0.000 2.849 103 T HA 0.397 4.747 4.350 0.001 0.000 0.276 103 T C 0.997 175.799 174.700 0.170 0.000 0.971 103 T CA -0.798 61.363 62.100 0.103 0.000 0.949 103 T CB 0.120 69.095 68.868 0.178 0.000 1.093 103 T HN 0.369 nan 8.240 nan 0.000 0.545 104 F N 2.127 122.184 119.950 0.177 0.000 2.087 104 F HA -0.215 4.312 4.527 0.001 0.000 0.299 104 F C 2.086 177.981 175.800 0.158 0.000 1.100 104 F CA 2.486 60.614 58.000 0.214 0.000 1.226 104 F CB -0.572 38.646 39.000 0.364 0.000 0.983 104 F HN 0.746 nan 8.300 nan 0.000 0.479 105 D N 0.025 120.497 120.400 0.121 0.000 2.363 105 D HA -0.145 4.495 4.640 0.001 0.000 0.220 105 D C 1.855 178.133 176.300 -0.036 0.000 0.994 105 D CA 0.917 54.924 54.000 0.011 0.000 0.890 105 D CB -0.814 40.158 40.800 0.288 0.000 0.906 105 D HN 0.506 nan 8.370 nan 0.000 0.530 106 I N 0.000 120.480 120.570 -0.151 0.000 3.793 106 I HA 0.152 4.322 4.170 0.001 0.000 0.315 106 I C 1.353 177.327 176.117 -0.238 0.000 1.275 106 I CA 0.385 61.453 61.300 -0.387 0.000 1.214 106 I CB 0.065 37.718 38.000 -0.578 0.000 1.018 106 I HN 0.171 nan 8.210 nan 0.000 0.439 107 G N 2.370 111.067 108.800 -0.173 0.000 2.137 107 G HA2 -0.310 3.650 3.960 0.001 0.000 0.237 107 G HA3 -0.310 3.650 3.960 0.001 0.000 0.237 107 G C 0.504 175.368 174.900 -0.061 0.000 1.002 107 G CA -0.076 44.955 45.100 -0.116 0.000 0.702 107 G HN 0.469 nan 8.290 nan 0.000 0.515 108 R N 0.508 120.985 120.500 -0.040 0.000 2.583 108 R HA 0.209 4.550 4.340 0.001 0.000 0.274 108 R C -0.994 175.325 176.300 0.031 0.000 0.998 108 R CA 0.709 56.812 56.100 0.004 0.000 1.081 108 R CB 0.309 30.634 30.300 0.042 0.000 0.940 108 R HN 0.124 nan 8.270 nan 0.000 0.413 109 D N 5.068 125.482 120.400 0.022 0.000 2.404 109 D HA 0.039 4.679 4.640 0.001 0.000 0.267 109 D C 0.802 177.122 176.300 0.033 0.000 1.194 109 D CA -0.389 53.631 54.000 0.034 0.000 0.910 109 D CB 1.479 42.290 40.800 0.017 0.000 1.090 109 D HN 0.365 nan 8.370 nan 0.000 0.511 110 V N 3.256 123.199 119.914 0.048 0.000 2.380 110 V HA -0.248 3.872 4.120 0.001 0.000 0.251 110 V C 1.978 178.092 176.094 0.033 0.000 1.063 110 V CA 2.356 64.680 62.300 0.040 0.000 1.055 110 V CB -0.109 31.742 31.823 0.046 0.000 0.657 110 V HN 0.513 nan 8.190 nan 0.000 0.455 111 S N -0.256 115.465 115.700 0.036 0.000 2.382 111 S HA -0.186 4.284 4.470 0.001 0.000 0.228 111 S C 1.727 176.338 174.600 0.020 0.000 1.027 111 S CA 1.763 59.981 58.200 0.029 0.000 0.991 111 S CB -0.405 62.814 63.200 0.032 0.000 0.823 111 S HN 0.527 nan 8.310 nan 0.000 0.469 112 L N 1.322 122.554 121.223 0.015 0.000 2.056 112 L HA 0.024 4.365 4.340 0.001 0.000 0.207 112 L C 1.892 178.767 176.870 0.009 0.000 1.078 112 L CA 1.439 56.282 54.840 0.005 0.000 0.749 112 L CB -0.697 41.357 42.059 -0.008 0.000 0.901 112 L HN 0.144 nan 8.230 nan 0.000 0.433 113 L N -0.000 121.233 121.223 0.017 0.000 2.012 113 L HA -0.178 4.162 4.340 0.001 0.000 0.210 113 L C 2.698 179.581 176.870 0.022 0.000 1.073 113 L CA 2.159 57.014 54.840 0.024 0.000 0.748 113 L CB -1.483 40.591 42.059 0.025 0.000 0.891 113 L HN 0.359 nan 8.230 nan 0.000 0.431 114 A N -1.132 121.701 122.820 0.020 0.000 1.902 114 A HA -0.264 4.056 4.320 0.001 0.000 0.217 114 A C 2.346 179.937 177.584 0.012 0.000 1.181 114 A CA 1.828 53.877 52.037 0.019 0.000 0.623 114 A CB -0.627 18.386 19.000 0.021 0.000 0.818 114 A HN 0.515 nan 8.150 nan 0.000 0.443 115 E N 0.140 120.345 120.200 0.007 0.000 2.051 115 E HA -0.169 4.181 4.350 0.001 0.000 0.192 115 E C 2.013 178.607 176.600 -0.010 0.000 0.991 115 E CA 2.137 58.536 56.400 -0.001 0.000 0.799 115 E CB -0.240 29.459 29.700 -0.002 0.000 0.748 115 E HN 0.543 nan 8.360 nan 0.000 0.449 116 V N -0.870 119.036 119.914 -0.012 0.000 2.515 116 V HA -0.149 3.971 4.120 0.001 0.000 0.250 116 V C 2.356 178.438 176.094 -0.019 0.000 1.058 116 V CA 1.950 64.234 62.300 -0.027 0.000 1.064 116 V CB -0.590 31.211 31.823 -0.036 0.000 0.675 116 V HN 0.233 nan 8.190 nan 0.000 0.461 117 S N 0.563 116.262 115.700 -0.001 0.000 2.368 117 S HA -0.207 4.263 4.470 0.001 0.000 0.225 117 S C 2.246 176.836 174.600 -0.016 0.000 1.030 117 S CA 1.856 60.056 58.200 0.000 0.000 0.999 117 S CB -0.365 62.849 63.200 0.023 0.000 0.844 117 S HN 0.684 nan 8.310 nan 0.000 0.459 118 R N 0.568 121.062 120.500 -0.010 0.000 2.062 118 R HA 0.051 4.392 4.340 0.001 0.000 0.231 118 R C 2.735 179.020 176.300 -0.024 0.000 1.136 118 R CA 1.387 57.478 56.100 -0.013 0.000 0.948 118 R CB -0.672 29.625 30.300 -0.004 0.000 0.845 118 R HN 0.505 nan 8.270 nan 0.000 0.430 119 A N 0.742 123.547 122.820 -0.026 0.000 1.933 119 A HA -0.076 4.244 4.320 0.001 0.000 0.218 119 A C 2.147 179.706 177.584 -0.043 0.000 1.175 119 A CA 1.780 53.797 52.037 -0.033 0.000 0.628 119 A CB -0.421 18.557 19.000 -0.036 0.000 0.814 119 A HN 0.420 nan 8.150 nan 0.000 0.444 120 A N -1.848 120.943 122.820 -0.048 0.000 2.195 120 A HA 0.339 4.660 4.320 0.001 0.000 0.210 120 A C 0.709 178.257 177.584 -0.059 0.000 1.165 120 A CA 1.028 53.032 52.037 -0.054 0.000 0.806 120 A CB -0.113 18.853 19.000 -0.057 0.000 0.847 120 A HN 0.531 nan 8.150 nan 0.000 0.482 121 D N -0.977 119.384 120.400 -0.064 0.000 2.760 121 D HA -0.122 4.519 4.640 0.001 0.000 0.244 121 D C -0.873 175.340 176.300 -0.144 0.000 1.123 121 D CA 0.847 54.790 54.000 -0.095 0.000 0.719 121 D CB -1.553 39.197 40.800 -0.083 0.000 1.045 121 D HN 0.213 nan 8.370 nan 0.000 0.426 122 V N 2.941 122.777 119.914 -0.129 0.000 2.638 122 V HA 0.325 4.445 4.120 0.001 0.000 0.306 122 V C 0.298 176.332 176.094 -0.099 0.000 1.052 122 V CA -0.973 61.249 62.300 -0.131 0.000 0.885 122 V CB 1.999 33.803 31.823 -0.032 0.000 0.999 122 V HN 0.256 nan 8.190 nan 0.000 0.424 123 H N 4.796 123.882 119.070 0.026 0.000 2.848 123 H HA 0.450 5.007 4.556 0.001 0.000 0.341 123 H C -0.420 174.923 175.328 0.026 0.000 1.060 123 H CA 0.349 56.411 56.048 0.022 0.000 1.444 123 H CB 0.977 30.752 29.762 0.022 0.000 1.446 123 H HN 0.432 nan 8.280 nan 0.000 0.583 124 I N 3.297 123.955 120.570 0.147 0.000 2.447 124 I HA 0.117 4.288 4.170 0.001 0.000 0.287 124 I C -0.235 175.911 176.117 0.048 0.000 1.023 124 I CA -0.779 60.570 61.300 0.082 0.000 1.083 124 I CB 2.099 40.135 38.000 0.059 0.000 1.245 124 I HN 0.133 nan 8.210 nan 0.000 0.434 125 V N 5.578 125.505 119.914 0.022 0.000 2.407 125 V HA 0.566 4.687 4.120 0.001 0.000 0.278 125 V C 0.628 176.703 176.094 -0.033 0.000 1.037 125 V CA -0.348 61.943 62.300 -0.015 0.000 0.900 125 V CB 1.416 33.221 31.823 -0.031 0.000 0.983 125 V HN 0.842 nan 8.190 nan 0.000 0.459 126 A N 4.472 127.270 122.820 -0.038 0.000 2.279 126 A HA 0.928 5.249 4.320 0.001 0.000 0.303 126 A C 0.171 177.714 177.584 -0.068 0.000 1.108 126 A CA -0.009 52.002 52.037 -0.043 0.000 0.830 126 A CB 1.084 20.070 19.000 -0.023 0.000 1.106 126 A HN 1.224 nan 8.150 nan 0.000 0.493 127 A N -0.100 122.679 122.820 -0.070 0.000 2.386 127 A HA 0.848 5.168 4.320 0.001 0.000 0.308 127 A C 0.120 177.652 177.584 -0.086 0.000 1.128 127 A CA 0.074 52.054 52.037 -0.095 0.000 0.789 127 A CB 1.392 20.331 19.000 -0.102 0.000 1.325 127 A HN 1.223 nan 8.150 nan 0.000 0.437 128 T N -1.509 112.958 114.554 -0.145 0.000 2.678 128 T HA 0.783 5.134 4.350 0.001 0.000 0.260 128 T C 0.419 174.958 174.700 -0.269 0.000 0.932 128 T CA 0.941 62.935 62.100 -0.176 0.000 1.043 128 T CB 0.918 69.641 68.868 -0.241 0.000 1.413 128 T HN 2.721 nan 8.240 nan 0.000 0.568 129 G N -0.267 108.202 108.800 -0.553 0.000 2.526 129 G HA2 0.100 4.060 3.960 0.001 0.000 0.250 129 G HA3 0.100 4.060 3.960 0.001 0.000 0.250 129 G C -1.755 173.163 174.900 0.030 0.000 1.289 129 G CA -0.332 44.325 45.100 -0.738 0.000 0.947 129 G HN 0.916 nan 8.290 nan 0.000 0.517 130 L N -1.305 120.045 121.223 0.211 0.000 2.482 130 L HA 0.588 4.929 4.340 0.001 0.000 0.263 130 L C 0.055 177.171 176.870 0.410 0.000 0.957 130 L CA -0.737 54.368 54.840 0.440 0.000 0.836 130 L CB 2.167 44.569 42.059 0.571 0.000 1.324 130 L HN 0.847 nan 8.230 nan 0.000 0.406 131 W N 2.975 124.387 121.300 0.186 0.000 1.836 131 W HA 0.309 4.969 4.660 0.001 0.000 0.628 131 W C 0.861 177.505 176.519 0.209 0.000 1.626 131 W CA 0.011 57.422 57.345 0.110 0.000 1.714 131 W CB 0.219 29.647 29.460 -0.052 0.000 3.166 131 W HN 0.348 nan 8.180 nan 0.000 0.772 132 F N 1.055 120.732 119.950 -0.456 0.000 2.668 132 F HA 0.319 4.846 4.527 0.001 0.000 0.297 132 F C 0.056 175.691 175.800 -0.275 0.000 1.124 132 F CA -0.597 57.130 58.000 -0.455 0.000 1.353 132 F CB -0.692 37.876 39.000 -0.721 0.000 0.992 132 F HN 0.049 nan 8.300 nan 0.000 0.524 133 D N 2.081 122.555 120.400 0.124 0.000 2.957 133 D HA 0.260 4.900 4.640 0.001 0.000 0.352 133 D C -2.817 173.617 176.300 0.224 0.000 1.352 133 D CA -2.012 52.096 54.000 0.181 0.000 0.831 133 D CB 0.524 41.456 40.800 0.221 0.000 1.147 133 D HN 0.056 nan 8.370 nan 0.000 0.467 134 P HA 0.243 nan 4.420 nan 0.000 0.271 134 P C -2.608 174.766 177.300 0.122 0.000 1.216 134 P CA -1.086 62.162 63.100 0.246 0.000 0.771 134 P CB 0.822 32.698 31.700 0.293 0.000 0.864 135 P HA 0.216 nan 4.420 nan 0.000 0.277 135 P C 1.285 178.582 177.300 -0.004 0.000 1.271 135 P CA -0.514 62.633 63.100 0.078 0.000 0.795 135 P CB 0.966 32.743 31.700 0.128 0.000 1.101 136 L N -0.062 121.147 121.223 -0.023 0.000 2.089 136 L HA -0.233 4.108 4.340 0.001 0.000 0.213 136 L C 2.417 179.235 176.870 -0.087 0.000 1.079 136 L CA 1.928 56.726 54.840 -0.070 0.000 0.758 136 L CB -0.992 41.042 42.059 -0.043 0.000 0.891 136 L HN 0.371 nan 8.230 nan 0.000 0.433 137 S N -1.135 114.537 115.700 -0.047 0.000 2.442 137 S HA -0.091 4.380 4.470 0.001 0.000 0.236 137 S C 1.885 176.418 174.600 -0.112 0.000 1.007 137 S CA 1.040 59.200 58.200 -0.067 0.000 0.965 137 S CB -0.027 63.145 63.200 -0.047 0.000 0.773 137 S HN 0.297 nan 8.310 nan 0.000 0.504 138 M N 0.942 120.479 119.600 -0.104 0.000 2.412 138 M HA 0.163 4.643 4.480 0.001 0.000 0.263 138 M C 1.937 178.078 176.300 -0.264 0.000 1.122 138 M CA 0.921 56.161 55.300 -0.100 0.000 1.179 138 M CB -0.935 31.695 32.600 0.051 0.000 1.335 138 M HN 0.220 nan 8.290 nan 0.000 0.465 139 R N 0.549 120.717 120.500 -0.554 0.000 2.200 139 R HA -0.051 4.289 4.340 0.001 0.000 0.234 139 R C 1.741 177.671 176.300 -0.617 0.000 1.127 139 R CA 0.959 56.378 56.100 -1.136 0.000 0.989 139 R CB -0.557 29.298 30.300 -0.741 0.000 0.869 139 R HN 0.361 nan 8.270 nan 0.000 0.459 140 L N 0.662 121.719 121.223 -0.276 0.000 2.592 140 L HA 0.111 4.451 4.340 0.001 0.000 0.227 140 L C 0.656 177.510 176.870 -0.027 0.000 1.127 140 L CA -0.097 54.672 54.840 -0.119 0.000 0.884 140 L CB -0.141 41.868 42.059 -0.083 0.000 1.065 140 L HN -0.001 nan 8.230 nan 0.000 0.457 141 R N 1.014 121.521 120.500 0.013 0.000 2.615 141 R HA 0.226 4.567 4.340 0.001 0.000 0.270 141 R C 0.535 176.917 176.300 0.138 0.000 1.081 141 R CA -0.005 56.137 56.100 0.069 0.000 1.154 141 R CB 0.951 31.283 30.300 0.053 0.000 1.063 141 R HN 0.104 nan 8.270 nan 0.000 0.519 142 S N -0.710 115.033 115.700 0.071 0.000 2.669 142 S HA 0.087 4.557 4.470 0.001 0.000 0.270 142 S C 1.234 175.854 174.600 0.033 0.000 1.225 142 S CA -0.745 57.490 58.200 0.059 0.000 0.991 142 S CB 1.364 64.582 63.200 0.030 0.000 0.987 142 S HN 0.401 nan 8.310 nan 0.000 0.552 143 V N 1.201 121.125 119.914 0.018 0.000 2.392 143 V HA -0.163 3.958 4.120 0.001 0.000 0.249 143 V C 2.231 178.309 176.094 -0.027 0.000 1.059 143 V CA 2.536 64.829 62.300 -0.012 0.000 1.051 143 V CB -1.181 30.642 31.823 0.001 0.000 0.658 143 V HN 0.955 nan 8.190 nan 0.000 0.455 144 E N 0.199 120.393 120.200 -0.009 0.000 2.051 144 E HA -0.208 4.143 4.350 0.001 0.000 0.192 144 E C 2.151 178.735 176.600 -0.026 0.000 0.991 144 E CA 1.871 58.265 56.400 -0.011 0.000 0.799 144 E CB -0.253 29.448 29.700 0.002 0.000 0.748 144 E HN 0.747 nan 8.360 nan 0.000 0.449 145 E N 0.502 120.687 120.200 -0.024 0.000 2.031 145 E HA -0.164 4.187 4.350 0.001 0.000 0.193 145 E C 2.178 178.733 176.600 -0.074 0.000 0.994 145 E CA 0.895 57.277 56.400 -0.030 0.000 0.800 145 E CB -0.212 29.475 29.700 -0.022 0.000 0.752 145 E HN 0.211 nan 8.360 nan 0.000 0.447 146 L N 0.937 122.079 121.223 -0.135 0.000 2.079 146 L HA -0.194 4.146 4.340 0.001 0.000 0.210 146 L C 2.547 179.081 176.870 -0.560 0.000 1.081 146 L CA 1.219 55.843 54.840 -0.360 0.000 0.752 146 L CB -0.745 41.083 42.059 -0.385 0.000 0.896 146 L HN 0.225 nan 8.230 nan 0.000 0.433 147 T N -1.186 113.201 114.554 -0.279 0.000 2.746 147 T HA -0.187 4.163 4.350 0.001 0.000 0.267 147 T C 1.915 176.571 174.700 -0.072 0.000 1.039 147 T CA 1.047 63.061 62.100 -0.143 0.000 1.142 147 T CB -0.107 68.743 68.868 -0.031 0.000 0.866 147 T HN 0.310 nan 8.240 nan 0.000 0.444 148 Q N 0.058 119.835 119.800 -0.039 0.000 2.167 148 Q HA 0.023 4.363 4.340 0.001 0.000 0.202 148 Q C 2.018 178.060 176.000 0.070 0.000 0.970 148 Q CA 0.993 56.813 55.803 0.028 0.000 0.855 148 Q CB -0.529 28.238 28.738 0.049 0.000 0.911 148 Q HN 0.639 nan 8.270 nan 0.000 0.438 149 F N 0.316 120.192 119.950 -0.124 0.000 2.113 149 F HA -0.209 4.319 4.527 0.001 0.000 0.297 149 F C 1.669 177.524 175.800 0.092 0.000 1.103 149 F CA 0.874 58.836 58.000 -0.063 0.000 1.248 149 F CB -0.030 38.880 39.000 -0.150 0.000 0.999 149 F HN -0.094 nan 8.300 nan 0.000 0.475 150 F N 0.976 120.825 119.950 -0.168 0.000 2.134 150 F HA -0.164 4.364 4.527 0.000 0.000 0.299 150 F C 2.185 177.837 175.800 -0.247 0.000 1.097 150 F CA 0.959 58.790 58.000 -0.281 0.000 1.264 150 F CB -1.548 37.398 39.000 -0.090 0.000 1.001 150 F HN 0.014 nan 8.300 nan 0.000 0.479 151 L N -0.413 120.823 121.223 0.021 0.000 2.083 151 L HA -0.193 4.147 4.340 0.001 0.000 0.209 151 L C 2.723 179.488 176.870 -0.175 0.000 1.083 151 L CA 1.265 56.057 54.840 -0.081 0.000 0.752 151 L CB -0.603 41.419 42.059 -0.060 0.000 0.899 151 L HN 0.062 nan 8.230 nan 0.000 0.433 152 R N 0.670 121.124 120.500 -0.075 0.000 2.083 152 R HA -0.203 4.138 4.340 0.001 0.000 0.237 152 R C 2.013 178.267 176.300 -0.078 0.000 1.137 152 R CA 1.882 57.998 56.100 0.026 0.000 0.951 152 R CB -0.177 30.194 30.300 0.118 0.000 0.851 152 R HN 0.446 nan 8.270 nan 0.000 0.434 153 E N -0.036 120.049 120.200 -0.193 0.000 2.204 153 E HA -0.146 4.204 4.350 0.001 0.000 0.194 153 E C 2.056 178.568 176.600 -0.145 0.000 0.989 153 E CA 1.153 57.447 56.400 -0.177 0.000 0.824 153 E CB 0.012 29.534 29.700 -0.297 0.000 0.756 153 E HN 0.482 nan 8.360 nan 0.000 0.477 154 I N 0.735 121.199 120.570 -0.176 0.000 2.339 154 I HA -0.214 3.957 4.170 0.001 0.000 0.245 154 I C 2.408 178.402 176.117 -0.205 0.000 1.096 154 I CA 0.946 62.144 61.300 -0.171 0.000 1.408 154 I CB -0.064 37.838 38.000 -0.164 0.000 1.092 154 I HN 0.008 nan 8.210 nan 0.000 0.423 155 Q N -0.301 119.292 119.800 -0.345 0.000 2.089 155 Q HA -0.088 4.252 4.340 0.001 0.000 0.195 155 Q C 1.947 177.685 176.000 -0.436 0.000 0.963 155 Q CA 1.523 57.013 55.803 -0.523 0.000 0.834 155 Q CB -0.002 28.167 28.738 -0.949 0.000 0.906 155 Q HN 0.545 nan 8.270 nan 0.000 0.452 156 Y N -0.594 119.693 120.300 -0.023 0.000 2.353 156 Y HA 0.324 4.874 4.550 0.001 0.000 0.294 156 Y C 1.112 177.006 175.900 -0.011 0.000 1.135 156 Y CA 0.027 58.119 58.100 -0.013 0.000 1.176 156 Y CB 0.770 39.227 38.460 -0.004 0.000 1.124 156 Y HN 0.124 nan 8.280 nan 0.000 0.537 157 G N 0.083 108.950 108.800 0.111 0.000 2.337 157 G HA2 0.168 4.128 3.960 0.001 0.000 0.310 157 G HA3 0.168 4.128 3.960 0.001 0.000 0.310 157 G C -1.737 173.197 174.900 0.056 0.000 1.534 157 G CA -1.161 43.977 45.100 0.063 0.000 0.982 157 G HN 0.013 nan 8.290 nan 0.000 0.672 158 I N 2.161 122.757 120.570 0.044 0.000 2.416 158 I HA 0.326 4.497 4.170 0.001 0.000 0.288 158 I C 1.092 177.266 176.117 0.095 0.000 1.051 158 I CA 0.371 61.710 61.300 0.064 0.000 1.375 158 I CB 0.735 38.770 38.000 0.059 0.000 1.407 158 I HN 0.930 nan 8.210 nan 0.000 0.516 159 E N 3.594 123.871 120.200 0.129 0.000 3.365 159 E HA -0.312 4.039 4.350 0.001 0.000 0.286 159 E C -0.099 176.559 176.600 0.095 0.000 1.466 159 E CA 1.510 57.986 56.400 0.126 0.000 1.995 159 E CB -0.457 29.318 29.700 0.125 0.000 1.981 159 E HN 0.916 nan 8.360 nan 0.000 0.495 160 D N 0.206 120.654 120.400 0.080 0.000 2.427 160 D HA 0.027 4.668 4.640 0.001 0.000 0.224 160 D C 1.068 177.400 176.300 0.054 0.000 1.157 160 D CA 0.935 54.972 54.000 0.062 0.000 0.828 160 D CB -0.195 40.637 40.800 0.052 0.000 0.974 160 D HN 0.420 nan 8.370 nan 0.000 0.498 161 T N -4.274 110.314 114.554 0.057 0.000 3.067 161 T HA 0.271 4.622 4.350 0.001 0.000 0.257 161 T C 1.844 176.570 174.700 0.044 0.000 1.105 161 T CA 0.579 62.708 62.100 0.047 0.000 1.104 161 T CB -0.286 68.610 68.868 0.048 0.000 0.925 161 T HN 0.319 nan 8.240 nan 0.000 0.498 162 G N 1.484 110.315 108.800 0.051 0.000 2.155 162 G HA2 -0.231 3.730 3.960 0.001 0.000 0.257 162 G HA3 -0.231 3.730 3.960 0.001 0.000 0.257 162 G C 0.058 174.979 174.900 0.036 0.000 0.983 162 G CA 0.248 45.378 45.100 0.050 0.000 0.676 162 G HN 0.672 nan 8.290 nan 0.000 0.528 163 I N 1.130 121.719 120.570 0.032 0.000 2.379 163 I HA 0.265 4.436 4.170 0.001 0.000 0.290 163 I C 1.017 177.137 176.117 0.005 0.000 1.063 163 I CA -0.416 60.895 61.300 0.018 0.000 1.351 163 I CB 0.600 38.614 38.000 0.022 0.000 1.410 163 I HN 0.057 nan 8.210 nan 0.000 0.505 164 R N 5.148 125.641 120.500 -0.012 0.000 2.297 164 R HA 0.565 4.906 4.340 0.001 0.000 0.308 164 R C -0.051 176.216 176.300 -0.056 0.000 1.029 164 R CA -0.601 55.476 56.100 -0.038 0.000 0.929 164 R CB 1.300 31.570 30.300 -0.050 0.000 1.046 164 R HN 0.706 nan 8.270 nan 0.000 0.461 165 A N 1.653 124.426 122.820 -0.077 0.000 2.462 165 A HA 0.290 4.611 4.320 0.001 0.000 0.243 165 A C 1.097 178.616 177.584 -0.108 0.000 1.076 165 A CA 0.102 52.084 52.037 -0.092 0.000 0.773 165 A CB 0.383 19.313 19.000 -0.117 0.000 1.010 165 A HN 0.949 nan 8.150 nan 0.000 0.493 166 G N 0.681 109.416 108.800 -0.109 0.000 3.159 166 G HA2 0.454 4.415 3.960 0.001 0.000 0.232 166 G HA3 0.454 4.415 3.960 0.001 0.000 0.232 166 G C 0.057 174.857 174.900 -0.166 0.000 1.116 166 G CA 0.420 45.443 45.100 -0.128 0.000 0.767 166 G HN 0.772 nan 8.290 nan 0.000 0.547 167 I N -0.627 119.844 120.570 -0.165 0.000 2.947 167 I HA 0.462 4.632 4.170 0.001 0.000 0.301 167 I C -1.789 174.219 176.117 -0.182 0.000 1.453 167 I CA -1.295 59.891 61.300 -0.191 0.000 0.984 167 I CB 2.491 40.395 38.000 -0.160 0.000 1.333 167 I HN -0.143 nan 8.210 nan 0.000 0.475 168 I N 4.607 125.062 120.570 -0.192 0.000 2.382 168 I HA 0.377 4.547 4.170 0.001 0.000 0.286 168 I C -0.794 175.232 176.117 -0.152 0.000 1.002 168 I CA -0.604 60.556 61.300 -0.233 0.000 1.135 168 I CB 1.576 39.415 38.000 -0.269 0.000 1.288 168 I HN 0.306 nan 8.210 nan 0.000 0.448 169 K N 7.265 127.586 120.400 -0.131 0.000 2.183 169 K HA 0.709 5.029 4.320 0.001 0.000 0.274 169 K C -0.820 175.811 176.600 0.051 0.000 1.009 169 K CA -0.458 55.821 56.287 -0.014 0.000 0.888 169 K CB 1.266 33.759 32.500 -0.011 0.000 1.078 169 K HN 0.472 nan 8.250 nan 0.000 0.459 170 V N -0.190 119.817 119.914 0.155 0.000 3.156 170 V HA 1.031 5.151 4.120 0.001 0.000 0.310 170 V C -1.004 175.262 176.094 0.286 0.000 1.234 170 V CA -0.646 61.781 62.300 0.210 0.000 1.065 170 V CB 1.297 33.245 31.823 0.207 0.000 1.088 170 V HN 0.974 nan 8.190 nan 0.000 0.451 171 A N 0.490 123.460 122.820 0.250 0.000 2.583 171 A HA 0.909 5.230 4.320 0.001 0.000 0.292 171 A C -0.501 177.169 177.584 0.144 0.000 1.045 171 A CA 0.036 52.229 52.037 0.260 0.000 0.672 171 A CB 1.227 20.407 19.000 0.301 0.000 1.283 171 A HN 2.442 nan 8.150 nan 0.000 0.419 172 T N -1.657 112.971 114.554 0.124 0.000 2.883 172 T HA 0.794 5.144 4.350 0.001 0.000 0.301 172 T C -0.498 174.194 174.700 -0.013 0.000 1.158 172 T CA 0.056 62.163 62.100 0.011 0.000 1.007 172 T CB 1.721 70.588 68.868 -0.002 0.000 1.186 172 T HN 1.873 nan 8.240 nan 0.000 0.499 173 T N -1.007 113.457 114.554 -0.152 0.000 3.305 173 T HA 0.697 5.048 4.350 0.001 0.000 0.348 173 T C 0.706 175.331 174.700 -0.125 0.000 1.394 173 T CA -0.053 61.943 62.100 -0.173 0.000 1.549 173 T CB -0.161 68.420 68.868 -0.478 0.000 0.962 173 T HN 2.091 nan 8.240 nan 0.000 0.609 174 G N 1.788 110.552 108.800 -0.059 0.000 2.610 174 G HA2 -0.091 3.869 3.960 0.001 0.000 0.304 174 G HA3 -0.091 3.869 3.960 0.001 0.000 0.304 174 G C -0.500 174.366 174.900 -0.057 0.000 1.309 174 G CA -0.719 44.345 45.100 -0.060 0.000 0.906 174 G HN 0.792 nan 8.290 nan 0.000 0.521 175 K N 0.445 120.813 120.400 -0.054 0.000 2.548 175 K HA 0.322 4.643 4.320 0.001 0.000 0.277 175 K C 1.008 177.578 176.600 -0.051 0.000 1.001 175 K CA 0.590 56.848 56.287 -0.049 0.000 1.102 175 K CB -0.096 32.378 32.500 -0.042 0.000 0.848 175 K HN 1.654 nan 8.250 nan 0.000 0.487 176 A N 3.864 126.653 122.820 -0.051 0.000 2.445 176 A HA 0.131 4.451 4.320 0.001 0.000 0.242 176 A C 0.459 178.025 177.584 -0.030 0.000 1.075 176 A CA 0.133 52.142 52.037 -0.047 0.000 0.777 176 A CB 0.172 19.135 19.000 -0.061 0.000 1.013 176 A HN 0.883 nan 8.150 nan 0.000 0.493 177 T N -0.063 114.484 114.554 -0.012 0.000 2.788 177 T HA 0.396 4.746 4.350 0.001 0.000 0.287 177 T C -1.814 172.908 174.700 0.036 0.000 1.007 177 T CA -1.169 60.943 62.100 0.019 0.000 1.005 177 T CB 0.537 69.435 68.868 0.050 0.000 1.012 177 T HN 0.327 nan 8.240 nan 0.000 0.530 178 P HA -0.034 nan 4.420 nan 0.000 0.215 178 P C 1.283 178.645 177.300 0.104 0.000 1.153 178 P CA 0.778 63.918 63.100 0.066 0.000 0.853 178 P CB -0.180 31.564 31.700 0.072 0.000 0.788 179 F N 0.776 120.736 119.950 0.015 0.000 2.146 179 F HA -0.163 4.364 4.527 0.001 0.000 0.298 179 F C 2.201 178.032 175.800 0.051 0.000 1.096 179 F CA 1.594 59.614 58.000 0.033 0.000 1.275 179 F CB -0.904 38.119 39.000 0.038 0.000 1.008 179 F HN -0.110 nan 8.300 nan 0.000 0.480 180 Q N 0.010 119.773 119.800 -0.062 0.000 2.181 180 Q HA -0.227 4.113 4.340 0.001 0.000 0.205 180 Q C 2.106 178.007 176.000 -0.165 0.000 0.980 180 Q CA 1.943 57.662 55.803 -0.141 0.000 0.862 180 Q CB -0.312 28.417 28.738 -0.015 0.000 0.905 180 Q HN 0.572 nan 8.270 nan 0.000 0.429 181 E N 0.427 120.558 120.200 -0.115 0.000 2.110 181 E HA -0.161 4.190 4.350 0.001 0.000 0.193 181 E C 2.005 178.539 176.600 -0.110 0.000 0.988 181 E CA 0.745 57.085 56.400 -0.101 0.000 0.804 181 E CB -0.030 29.634 29.700 -0.060 0.000 0.745 181 E HN 0.350 nan 8.360 nan 0.000 0.458 182 L N 0.484 121.612 121.223 -0.159 0.000 2.083 182 L HA -0.173 4.167 4.340 0.001 0.000 0.209 182 L C 2.462 179.235 176.870 -0.162 0.000 1.083 182 L CA 0.721 55.472 54.840 -0.150 0.000 0.752 182 L CB -0.426 41.537 42.059 -0.159 0.000 0.899 182 L HN 0.074 nan 8.230 nan 0.000 0.433 183 V N -0.130 119.607 119.914 -0.294 0.000 2.295 183 V HA -0.288 3.833 4.120 0.001 0.000 0.246 183 V C 2.434 178.617 176.094 0.148 0.000 1.049 183 V CA 1.486 63.751 62.300 -0.058 0.000 1.024 183 V CB -0.402 31.367 31.823 -0.090 0.000 0.648 183 V HN 0.258 nan 8.190 nan 0.000 0.447 184 L N -0.308 120.952 121.223 0.062 0.000 2.079 184 L HA -0.189 4.152 4.340 0.001 0.000 0.210 184 L C 2.440 179.452 176.870 0.237 0.000 1.081 184 L CA 1.939 56.863 54.840 0.141 0.000 0.752 184 L CB -0.650 41.319 42.059 -0.151 0.000 0.896 184 L HN 0.267 nan 8.230 nan 0.000 0.433 185 K N -1.094 119.377 120.400 0.117 0.000 2.057 185 K HA -0.081 4.240 4.320 0.001 0.000 0.206 185 K C 2.161 178.857 176.600 0.160 0.000 1.050 185 K CA 1.236 57.599 56.287 0.126 0.000 0.935 185 K CB -0.322 32.211 32.500 0.055 0.000 0.715 185 K HN 0.321 nan 8.250 nan 0.000 0.439 186 A N 1.492 124.411 122.820 0.164 0.000 1.930 186 A HA -0.080 4.240 4.320 0.001 0.000 0.217 186 A C 2.347 180.153 177.584 0.370 0.000 1.175 186 A CA 1.719 53.869 52.037 0.188 0.000 0.627 186 A CB -0.590 18.432 19.000 0.037 0.000 0.815 186 A HN 0.324 nan 8.150 nan 0.000 0.443 187 A N -0.017 123.068 122.820 0.442 0.000 1.902 187 A HA 0.172 4.493 4.320 0.001 0.000 0.217 187 A C 2.512 180.194 177.584 0.164 0.000 1.181 187 A CA 2.033 54.241 52.037 0.284 0.000 0.623 187 A CB -1.036 18.078 19.000 0.189 0.000 0.818 187 A HN 1.017 nan 8.150 nan 0.000 0.443 188 A N 0.098 123.045 122.820 0.213 0.000 1.883 188 A HA -0.203 4.118 4.320 0.001 0.000 0.217 188 A C 2.226 179.860 177.584 0.083 0.000 1.186 188 A CA 1.655 53.768 52.037 0.127 0.000 0.624 188 A CB -0.543 18.598 19.000 0.235 0.000 0.822 188 A HN 0.567 nan 8.150 nan 0.000 0.444 189 R N -0.464 120.102 120.500 0.110 0.000 2.091 189 R HA -0.137 4.203 4.340 0.001 0.000 0.238 189 R C 2.426 178.760 176.300 0.057 0.000 1.136 189 R CA 1.346 57.490 56.100 0.074 0.000 0.959 189 R CB -0.529 29.813 30.300 0.070 0.000 0.856 189 R HN 0.526 nan 8.270 nan 0.000 0.437 190 A N 0.295 123.171 122.820 0.093 0.000 1.930 190 A HA -0.154 4.166 4.320 0.001 0.000 0.217 190 A C 2.215 179.794 177.584 -0.008 0.000 1.175 190 A CA 1.658 53.734 52.037 0.064 0.000 0.627 190 A CB -0.537 18.559 19.000 0.161 0.000 0.815 190 A HN 0.297 nan 8.150 nan 0.000 0.443 191 S N -0.425 115.260 115.700 -0.026 0.000 2.356 191 S HA -0.102 4.369 4.470 0.001 0.000 0.223 191 S C 1.929 176.489 174.600 -0.067 0.000 1.032 191 S CA 1.454 59.606 58.200 -0.080 0.000 1.005 191 S CB -0.483 62.645 63.200 -0.121 0.000 0.867 191 S HN 0.484 nan 8.310 nan 0.000 0.449 192 L N 0.875 122.076 121.223 -0.038 0.000 2.083 192 L HA -0.074 4.267 4.340 0.001 0.000 0.209 192 L C 2.790 179.641 176.870 -0.032 0.000 1.083 192 L CA 1.321 56.143 54.840 -0.030 0.000 0.752 192 L CB -0.504 41.550 42.059 -0.008 0.000 0.899 192 L HN 0.412 nan 8.230 nan 0.000 0.433 193 A N -0.750 122.054 122.820 -0.027 0.000 2.021 193 A HA -0.102 4.218 4.320 0.001 0.000 0.216 193 A C 2.269 179.822 177.584 -0.052 0.000 1.163 193 A CA 1.651 53.669 52.037 -0.032 0.000 0.676 193 A CB -0.474 18.512 19.000 -0.024 0.000 0.818 193 A HN 0.484 nan 8.150 nan 0.000 0.453 194 T N -6.061 108.451 114.554 -0.068 0.000 2.971 194 T HA 0.423 4.774 4.350 0.001 0.000 0.252 194 T C 1.474 176.116 174.700 -0.096 0.000 1.022 194 T CA 1.125 63.172 62.100 -0.089 0.000 0.980 194 T CB 0.397 69.200 68.868 -0.108 0.000 1.044 194 T HN 1.589 nan 8.240 nan 0.000 0.501 195 G N 1.118 109.858 108.800 -0.099 0.000 2.176 195 G HA2 -0.241 3.719 3.960 0.001 0.000 0.253 195 G HA3 -0.241 3.719 3.960 0.001 0.000 0.253 195 G C 0.104 174.911 174.900 -0.155 0.000 0.979 195 G CA 0.020 45.053 45.100 -0.113 0.000 0.641 195 G HN 0.723 nan 8.290 nan 0.000 0.530 196 V N 3.427 123.241 119.914 -0.166 0.000 2.614 196 V HA 0.421 4.542 4.120 0.001 0.000 0.291 196 V C -0.829 175.102 176.094 -0.271 0.000 1.049 196 V CA -0.799 61.369 62.300 -0.219 0.000 1.038 196 V CB 1.274 32.981 31.823 -0.192 0.000 0.980 196 V HN 0.272 nan 8.190 nan 0.000 0.481 197 P HA 0.274 nan 4.420 nan 0.000 0.274 197 P C -0.947 176.156 177.300 -0.329 0.000 1.256 197 P CA -0.234 62.572 63.100 -0.491 0.000 0.795 197 P CB 0.919 31.911 31.700 -1.179 0.000 1.038 198 V N 0.170 119.958 119.914 -0.210 0.000 2.555 198 V HA 0.535 4.656 4.120 0.001 0.000 0.302 198 V C 0.387 176.525 176.094 0.074 0.000 1.038 198 V CA -0.218 62.005 62.300 -0.130 0.000 0.887 198 V CB 1.607 33.245 31.823 -0.307 0.000 0.991 198 V HN 0.650 nan 8.190 nan 0.000 0.434 199 T N 2.773 117.386 114.554 0.098 0.000 2.876 199 T HA 0.736 5.086 4.350 0.001 0.000 0.289 199 T C -0.417 174.370 174.700 0.145 0.000 1.014 199 T CA -0.113 62.087 62.100 0.166 0.000 0.986 199 T CB 1.618 70.600 68.868 0.191 0.000 1.021 199 T HN 1.058 nan 8.240 nan 0.000 0.458 200 T N 0.935 115.573 114.554 0.141 0.000 2.901 200 T HA 0.552 4.902 4.350 0.001 0.000 0.293 200 T C -0.894 173.862 174.700 0.094 0.000 1.084 200 T CA -0.760 61.448 62.100 0.179 0.000 1.008 200 T CB 1.372 70.379 68.868 0.231 0.000 1.170 200 T HN 0.776 nan 8.240 nan 0.000 0.509 201 H N 0.686 119.822 119.070 0.111 0.000 2.489 201 H HA 0.649 5.206 4.556 0.001 0.000 0.322 201 H C -0.004 175.433 175.328 0.181 0.000 1.091 201 H CA -0.219 55.903 56.048 0.123 0.000 1.291 201 H CB 1.095 31.156 29.762 0.497 0.000 1.436 201 H HN 1.035 nan 8.280 nan 0.000 0.480 202 T N 1.624 116.313 114.554 0.225 0.000 2.865 202 T HA 0.638 4.988 4.350 0.001 0.000 0.294 202 T C -0.635 174.194 174.700 0.216 0.000 1.119 202 T CA -0.834 61.419 62.100 0.255 0.000 1.007 202 T CB 1.412 70.370 68.868 0.150 0.000 1.225 202 T HN 0.703 nan 8.240 nan 0.000 0.515 203 A N 0.819 123.737 122.820 0.163 0.000 2.736 203 A HA 0.737 5.058 4.320 0.001 0.000 0.335 203 A C 1.583 179.185 177.584 0.029 0.000 1.446 203 A CA -0.203 51.889 52.037 0.091 0.000 1.028 203 A CB -0.695 18.330 19.000 0.042 0.000 1.154 203 A HN 1.360 nan 8.150 nan 0.000 0.507 204 A N 1.900 124.752 122.820 0.052 0.000 1.948 204 A HA -0.166 4.155 4.320 0.001 0.000 0.220 204 A C 2.544 180.021 177.584 -0.178 0.000 1.177 204 A CA 2.514 54.567 52.037 0.026 0.000 0.636 204 A CB -0.905 18.185 19.000 0.149 0.000 0.815 204 A HN 1.464 nan 8.150 nan 0.000 0.449 205 S N 0.169 115.807 115.700 -0.104 0.000 2.368 205 S HA -0.327 4.143 4.470 0.001 0.000 0.226 205 S C 1.775 176.260 174.600 -0.193 0.000 1.044 205 S CA 1.715 59.839 58.200 -0.126 0.000 1.062 205 S CB -0.834 62.328 63.200 -0.063 0.000 0.931 205 S HN 0.731 nan 8.310 nan 0.000 0.440 206 Q N 0.746 120.451 119.800 -0.157 0.000 2.515 206 Q HA 0.204 4.545 4.340 0.001 0.000 0.212 206 Q C -0.029 175.828 176.000 -0.238 0.000 0.970 206 Q CA 0.144 55.853 55.803 -0.157 0.000 0.941 206 Q CB -0.205 28.480 28.738 -0.090 0.000 0.998 206 Q HN 0.514 nan 8.270 nan 0.000 0.518 207 R N 0.186 120.412 120.500 -0.456 0.000 3.656 207 R HA -0.188 4.152 4.340 0.001 0.000 0.297 207 R C -0.330 175.919 176.300 -0.085 0.000 1.166 207 R CA 0.501 56.205 56.100 -0.662 0.000 0.799 207 R CB -1.776 28.235 30.300 -0.481 0.000 1.285 207 R HN 0.312 nan 8.270 nan 0.000 0.477 208 D N 0.022 120.413 120.400 -0.016 0.000 2.190 208 D HA -0.125 4.516 4.640 0.001 0.000 0.200 208 D C 2.024 178.365 176.300 0.069 0.000 0.992 208 D CA 1.797 55.816 54.000 0.033 0.000 0.854 208 D CB -0.325 40.508 40.800 0.055 0.000 0.936 208 D HN 0.614 nan 8.370 nan 0.000 0.462 209 G N 0.542 109.459 108.800 0.196 0.000 2.475 209 G HA2 -0.301 3.659 3.960 0.001 0.000 0.220 209 G HA3 -0.301 3.659 3.960 0.001 0.000 0.220 209 G C 1.499 176.373 174.900 -0.043 0.000 1.125 209 G CA 0.766 45.906 45.100 0.066 0.000 0.755 209 G HN 0.331 nan 8.290 nan 0.000 0.565 210 E N -0.418 119.826 120.200 0.073 0.000 2.072 210 E HA -0.129 4.222 4.350 0.001 0.000 0.191 210 E C 2.425 178.990 176.600 -0.058 0.000 0.985 210 E CA 0.969 57.365 56.400 -0.006 0.000 0.801 210 E CB -0.163 29.572 29.700 0.058 0.000 0.750 210 E HN 0.588 nan 8.360 nan 0.000 0.452 211 Q N 0.814 120.582 119.800 -0.054 0.000 2.119 211 Q HA -0.214 4.127 4.340 0.001 0.000 0.201 211 Q C 2.068 177.966 176.000 -0.170 0.000 0.972 211 Q CA 1.211 56.962 55.803 -0.088 0.000 0.847 211 Q CB 0.151 28.844 28.738 -0.074 0.000 0.903 211 Q HN 0.323 nan 8.270 nan 0.000 0.433 212 Q N -0.164 119.509 119.800 -0.212 0.000 2.050 212 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 212 Q C 2.133 177.832 176.000 -0.502 0.000 0.980 212 Q CA 1.444 56.985 55.803 -0.436 0.000 0.840 212 Q CB -0.221 28.351 28.738 -0.277 0.000 0.898 212 Q HN 0.475 nan 8.270 nan 0.000 0.424 213 A N 1.186 123.876 122.820 -0.217 0.000 1.940 213 A HA -0.171 4.150 4.320 0.001 0.000 0.219 213 A C 2.293 179.914 177.584 0.062 0.000 1.176 213 A CA 1.644 53.656 52.037 -0.041 0.000 0.631 213 A CB -0.813 17.985 19.000 -0.336 0.000 0.814 213 A HN 0.414 nan 8.150 nan 0.000 0.446 214 A N 0.101 122.895 122.820 -0.044 0.000 1.865 214 A HA -0.126 4.194 4.320 0.001 0.000 0.217 214 A C 2.126 179.704 177.584 -0.011 0.000 1.191 214 A CA 1.649 53.681 52.037 -0.009 0.000 0.623 214 A CB -0.673 18.307 19.000 -0.033 0.000 0.826 214 A HN 0.493 nan 8.150 nan 0.000 0.444 215 I N -1.500 118.999 120.570 -0.118 0.000 2.179 215 I HA -0.271 3.899 4.170 0.001 0.000 0.242 215 I C 2.376 178.494 176.117 0.001 0.000 1.088 215 I CA 1.475 62.702 61.300 -0.121 0.000 1.357 215 I CB -0.446 37.403 38.000 -0.252 0.000 1.051 215 I HN 0.387 nan 8.210 nan 0.000 0.409 216 F N 1.045 121.035 119.950 0.067 0.000 2.095 216 F HA -0.239 4.289 4.527 0.001 0.000 0.298 216 F C 2.581 178.433 175.800 0.087 0.000 1.104 216 F CA 1.171 59.226 58.000 0.091 0.000 1.232 216 F CB -0.417 38.672 39.000 0.147 0.000 0.987 216 F HN 0.082 nan 8.300 nan 0.000 0.475 217 E N 0.041 120.416 120.200 0.292 0.000 2.153 217 E HA -0.182 4.169 4.350 0.001 0.000 0.194 217 E C 2.123 178.795 176.600 0.119 0.000 0.988 217 E CA 1.411 57.922 56.400 0.185 0.000 0.811 217 E CB -0.307 29.495 29.700 0.169 0.000 0.746 217 E HN 0.364 nan 8.360 nan 0.000 0.466 218 S N 0.611 116.372 115.700 0.102 0.000 2.555 218 S HA -0.060 4.411 4.470 0.001 0.000 0.230 218 S C 1.482 176.125 174.600 0.071 0.000 0.978 218 S CA 0.584 58.825 58.200 0.068 0.000 0.934 218 S CB 0.115 63.342 63.200 0.045 0.000 0.766 218 S HN 0.122 nan 8.310 nan 0.000 0.533 219 E N 0.371 120.631 120.200 0.101 0.000 2.498 219 E HA 0.235 4.585 4.350 0.001 0.000 0.203 219 E C 1.201 177.849 176.600 0.079 0.000 1.013 219 E CA 0.463 56.919 56.400 0.094 0.000 0.927 219 E CB 0.512 30.288 29.700 0.126 0.000 1.012 219 E HN 0.679 nan 8.360 nan 0.000 0.482 220 G N 1.892 110.739 108.800 0.077 0.000 2.141 220 G HA2 -0.267 3.693 3.960 0.001 0.000 0.242 220 G HA3 -0.267 3.693 3.960 0.001 0.000 0.242 220 G C 0.072 174.997 174.900 0.042 0.000 0.982 220 G CA 0.299 45.430 45.100 0.051 0.000 0.662 220 G HN 0.222 nan 8.290 nan 0.000 0.527 221 L N 2.398 123.662 121.223 0.068 0.000 2.380 221 L HA 0.644 4.985 4.340 0.001 0.000 0.273 221 L C 0.770 177.637 176.870 -0.004 0.000 1.138 221 L CA -0.065 54.791 54.840 0.026 0.000 0.832 221 L CB 1.051 43.125 42.059 0.024 0.000 1.124 221 L HN 0.191 nan 8.230 nan 0.000 0.454 222 S N 6.759 122.424 115.700 -0.059 0.000 2.548 222 S HA 0.249 4.720 4.470 0.001 0.000 0.277 222 S C -1.747 172.738 174.600 -0.192 0.000 1.315 222 S CA -0.793 57.346 58.200 -0.103 0.000 1.050 222 S CB 0.861 64.005 63.200 -0.092 0.000 0.918 222 S HN 0.570 nan 8.310 nan 0.000 0.497 223 P HA -0.116 nan 4.420 nan 0.000 0.219 223 P C 1.509 178.514 177.300 -0.492 0.000 1.146 223 P CA 0.981 63.565 63.100 -0.860 0.000 0.808 223 P CB -0.109 30.662 31.700 -1.548 0.000 0.779 224 S N -1.432 114.109 115.700 -0.265 0.000 2.507 224 S HA -0.053 4.418 4.470 0.001 0.000 0.235 224 S C 1.719 176.320 174.600 0.002 0.000 0.988 224 S CA 0.610 58.745 58.200 -0.108 0.000 0.944 224 S CB -0.637 62.516 63.200 -0.080 0.000 0.762 224 S HN 0.007 nan 8.310 nan 0.000 0.526 225 R N 0.670 121.142 120.500 -0.047 0.000 2.334 225 R HA 0.391 4.732 4.340 0.001 0.000 0.216 225 R C -0.485 175.850 176.300 0.058 0.000 0.905 225 R CA 0.071 56.148 56.100 -0.038 0.000 1.064 225 R CB 0.281 30.503 30.300 -0.129 0.000 1.046 225 R HN 0.355 nan 8.270 nan 0.000 0.508 226 V N 0.353 120.340 119.914 0.122 0.000 2.604 226 V HA 0.264 4.384 4.120 0.001 0.000 0.305 226 V C -0.351 175.881 176.094 0.230 0.000 1.043 226 V CA -1.189 61.215 62.300 0.174 0.000 0.888 226 V CB 2.444 34.341 31.823 0.123 0.000 0.995 226 V HN 0.096 nan 8.190 nan 0.000 0.429 227 C N 6.902 126.301 119.300 0.165 0.000 2.301 227 C HA 0.572 5.032 4.460 0.001 0.000 0.323 227 C C -0.174 174.821 174.990 0.008 0.000 1.265 227 C CA -0.663 58.311 59.018 -0.073 0.000 1.503 227 C CB -0.600 26.940 27.740 -0.333 0.000 2.195 227 C HN 0.708 nan 8.230 nan 0.000 0.477 228 I N 6.638 127.195 120.570 -0.022 0.000 2.294 228 I HA 0.266 4.437 4.170 0.001 0.000 0.295 228 I C 1.262 177.322 176.117 -0.095 0.000 1.098 228 I CA 0.513 61.789 61.300 -0.039 0.000 1.277 228 I CB -0.035 37.900 38.000 -0.109 0.000 1.434 228 I HN 0.890 nan 8.210 nan 0.000 0.498 229 G N 4.825 113.550 108.800 -0.125 0.000 2.539 229 G HA2 0.233 4.194 3.960 0.001 0.000 0.258 229 G HA3 0.233 4.194 3.960 0.001 0.000 0.258 229 G C 0.331 175.030 174.900 -0.335 0.000 1.202 229 G CA -0.050 44.862 45.100 -0.313 0.000 0.851 229 G HN 0.804 nan 8.290 nan 0.000 0.556 230 H N -0.120 118.744 119.070 -0.344 0.000 2.899 230 H HA -0.164 4.393 4.556 0.001 0.000 0.282 230 H C 1.941 177.181 175.328 -0.147 0.000 1.198 230 H CA 0.433 56.225 56.048 -0.426 0.000 1.140 230 H CB -1.793 27.685 29.762 -0.474 0.000 1.317 230 H HN 0.406 nan 8.280 nan 0.000 0.375 231 S N 0.162 115.860 115.700 -0.003 0.000 2.447 231 S HA -0.105 4.365 4.470 0.001 0.000 0.233 231 S C 1.694 176.340 174.600 0.078 0.000 1.006 231 S CA 1.094 59.325 58.200 0.052 0.000 0.957 231 S CB 0.032 63.215 63.200 -0.029 0.000 0.773 231 S HN 0.707 nan 8.310 nan 0.000 0.507 232 D N 0.569 121.004 120.400 0.058 0.000 2.352 232 D HA -0.042 4.599 4.640 0.001 0.000 0.232 232 D C 0.234 176.595 176.300 0.101 0.000 1.055 232 D CA 0.310 54.360 54.000 0.082 0.000 0.891 232 D CB -0.224 40.629 40.800 0.088 0.000 0.897 232 D HN 0.137 nan 8.370 nan 0.000 0.529 233 D N -0.005 120.462 120.400 0.111 0.000 2.349 233 D HA 0.008 4.648 4.640 0.001 0.000 0.224 233 D C 0.178 176.520 176.300 0.071 0.000 1.029 233 D CA 0.616 54.676 54.000 0.101 0.000 0.879 233 D CB 0.435 41.302 40.800 0.112 0.000 0.906 233 D HN 0.171 nan 8.370 nan 0.000 0.528 234 T N -0.880 113.725 114.554 0.084 0.000 2.893 234 T HA 0.172 4.522 4.350 0.001 0.000 0.293 234 T C -0.176 174.571 174.700 0.079 0.000 1.027 234 T CA -0.782 61.359 62.100 0.068 0.000 0.988 234 T CB 1.475 70.388 68.868 0.075 0.000 1.043 234 T HN -0.268 nan 8.240 nan 0.000 0.461 235 D N 1.788 122.222 120.400 0.057 0.000 2.339 235 D HA 0.046 4.687 4.640 0.001 0.000 0.217 235 D C 0.076 176.417 176.300 0.067 0.000 1.050 235 D CA 0.059 54.094 54.000 0.058 0.000 0.856 235 D CB 0.279 41.103 40.800 0.040 0.000 0.922 235 D HN 0.558 nan 8.370 nan 0.000 0.518 236 D N 1.555 122.002 120.400 0.080 0.000 2.380 236 D HA -0.075 4.566 4.640 0.001 0.000 0.270 236 D C 1.155 177.532 176.300 0.128 0.000 1.363 236 D CA -0.152 53.905 54.000 0.096 0.000 1.057 236 D CB 0.459 41.314 40.800 0.092 0.000 1.096 236 D HN -0.040 nan 8.370 nan 0.000 0.524 237 L N 3.181 124.457 121.223 0.087 0.000 2.362 237 L HA -0.080 4.260 4.340 0.001 0.000 0.219 237 L C 2.038 178.950 176.870 0.070 0.000 1.134 237 L CA 1.096 55.980 54.840 0.074 0.000 0.807 237 L CB -0.179 41.918 42.059 0.064 0.000 0.927 237 L HN 0.250 nan 8.230 nan 0.000 0.447 238 S N -1.484 114.267 115.700 0.086 0.000 2.345 238 S HA -0.226 4.245 4.470 0.001 0.000 0.220 238 S C 1.799 176.455 174.600 0.094 0.000 1.031 238 S CA 1.423 59.670 58.200 0.079 0.000 0.996 238 S CB -0.543 62.702 63.200 0.076 0.000 0.882 238 S HN 0.650 nan 8.310 nan 0.000 0.445 239 Y N 2.287 122.577 120.300 -0.017 0.000 2.081 239 Y HA -0.204 4.347 4.550 0.001 0.000 0.280 239 Y C 1.995 177.865 175.900 -0.051 0.000 1.163 239 Y CA 1.554 59.635 58.100 -0.032 0.000 1.135 239 Y CB -0.339 38.105 38.460 -0.027 0.000 0.970 239 Y HN 0.127 nan 8.280 nan 0.000 0.498 240 L N -0.592 120.517 121.223 -0.190 0.000 2.046 240 L HA -0.229 4.112 4.340 0.001 0.000 0.208 240 L C 2.709 179.413 176.870 -0.276 0.000 1.077 240 L CA 2.001 56.655 54.840 -0.310 0.000 0.747 240 L CB -0.993 40.990 42.059 -0.127 0.000 0.896 240 L HN 0.327 nan 8.230 nan 0.000 0.432 241 T N -0.660 113.792 114.554 -0.170 0.000 2.951 241 T HA -0.043 4.307 4.350 0.001 0.000 0.268 241 T C 1.823 176.373 174.700 -0.251 0.000 1.073 241 T CA 1.098 63.057 62.100 -0.233 0.000 1.134 241 T CB 0.078 68.944 68.868 -0.003 0.000 0.884 241 T HN 0.385 nan 8.240 nan 0.000 0.479 242 A N 0.873 123.607 122.820 -0.143 0.000 1.930 242 A HA 0.157 4.477 4.320 0.001 0.000 0.217 242 A C 2.275 179.789 177.584 -0.116 0.000 1.175 242 A CA 1.171 53.156 52.037 -0.086 0.000 0.627 242 A CB -0.660 18.321 19.000 -0.032 0.000 0.815 242 A HN 0.572 nan 8.150 nan 0.000 0.443 243 L N -0.975 120.127 121.223 -0.202 0.000 2.131 243 L HA -0.079 4.261 4.340 0.001 0.000 0.206 243 L C 3.037 179.859 176.870 -0.079 0.000 1.087 243 L CA 0.838 55.591 54.840 -0.145 0.000 0.767 243 L CB -0.442 41.420 42.059 -0.327 0.000 0.917 243 L HN 0.403 nan 8.230 nan 0.000 0.441 244 A N 0.158 122.786 122.820 -0.321 0.000 1.933 244 A HA -0.167 4.154 4.320 0.001 0.000 0.218 244 A C 2.522 179.872 177.584 -0.389 0.000 1.175 244 A CA 1.661 53.410 52.037 -0.481 0.000 0.628 244 A CB -0.625 17.744 19.000 -1.052 0.000 0.814 244 A HN 0.391 nan 8.150 nan 0.000 0.444 245 A N 0.109 122.719 122.820 -0.350 0.000 1.902 245 A HA -0.161 4.160 4.320 0.001 0.000 0.217 245 A C 2.172 179.773 177.584 0.029 0.000 1.181 245 A CA 1.523 53.541 52.037 -0.033 0.000 0.623 245 A CB -0.411 18.594 19.000 0.007 0.000 0.818 245 A HN 0.562 nan 8.150 nan 0.000 0.443 246 R N -1.588 118.931 120.500 0.032 0.000 2.280 246 R HA 0.185 4.526 4.340 0.001 0.000 0.207 246 R C 1.315 177.583 176.300 -0.053 0.000 1.043 246 R CA 0.651 56.785 56.100 0.057 0.000 1.006 246 R CB -0.080 30.329 30.300 0.182 0.000 0.885 246 R HN 0.712 nan 8.270 nan 0.000 0.467 247 G N -1.162 107.594 108.800 -0.073 0.000 2.192 247 G HA2 -0.245 3.716 3.960 0.001 0.000 0.193 247 G HA3 -0.245 3.716 3.960 0.001 0.000 0.193 247 G C -0.193 174.549 174.900 -0.265 0.000 0.999 247 G CA -0.683 44.318 45.100 -0.165 0.000 0.659 247 G HN 0.183 nan 8.290 nan 0.000 0.503 248 Y N -0.191 120.067 120.300 -0.069 0.000 2.330 248 Y HA 0.588 5.139 4.550 0.001 0.000 0.341 248 Y C 1.156 176.986 175.900 -0.117 0.000 1.278 248 Y CA -0.220 57.834 58.100 -0.077 0.000 1.453 248 Y CB 0.517 38.925 38.460 -0.087 0.000 1.342 248 Y HN 0.127 nan 8.280 nan 0.000 0.590 249 L N 2.909 124.156 121.223 0.039 0.000 2.325 249 L HA 0.332 4.673 4.340 0.001 0.000 0.279 249 L C -0.817 175.983 176.870 -0.116 0.000 1.054 249 L CA -0.265 54.505 54.840 -0.117 0.000 0.804 249 L CB 0.818 42.684 42.059 -0.322 0.000 1.200 249 L HN 0.364 nan 8.230 nan 0.000 0.436 250 I N 2.391 122.876 120.570 -0.141 0.000 2.339 250 I HA 0.318 4.488 4.170 0.001 0.000 0.290 250 I C 0.683 176.713 176.117 -0.144 0.000 0.994 250 I CA -0.362 60.854 61.300 -0.139 0.000 1.191 250 I CB 1.221 39.141 38.000 -0.133 0.000 1.343 250 I HN 0.619 nan 8.210 nan 0.000 0.458 251 G N 7.415 116.127 108.800 -0.147 0.000 2.457 251 G HA2 0.486 4.447 3.960 0.001 0.000 0.316 251 G HA3 0.486 4.447 3.960 0.001 0.000 0.316 251 G C -0.086 174.748 174.900 -0.109 0.000 1.030 251 G CA -0.409 44.604 45.100 -0.146 0.000 1.073 251 G HN 0.555 nan 8.290 nan 0.000 0.430 252 L N 3.342 124.525 121.223 -0.066 0.000 2.397 252 L HA 0.246 4.586 4.340 0.001 0.000 0.263 252 L C 0.008 176.876 176.870 -0.004 0.000 1.136 252 L CA -0.545 54.285 54.840 -0.017 0.000 1.019 252 L CB 0.596 42.667 42.059 0.021 0.000 1.352 252 L HN 0.650 nan 8.230 nan 0.000 0.420 253 D N -2.628 117.735 120.400 -0.062 0.000 2.501 253 D HA 0.007 4.647 4.640 0.001 0.000 0.224 253 D C 0.945 177.232 176.300 -0.021 0.000 1.202 253 D CA -0.059 53.909 54.000 -0.053 0.000 0.829 253 D CB 0.092 40.773 40.800 -0.197 0.000 1.023 253 D HN 0.403 nan 8.370 nan 0.000 0.499 254 H N 0.136 119.175 119.070 -0.051 0.000 2.785 254 H HA 0.214 4.771 4.556 0.001 0.000 0.268 254 H C 1.392 176.779 175.328 0.098 0.000 1.153 254 H CA -0.432 55.501 56.048 -0.191 0.000 1.111 254 H CB 0.763 30.306 29.762 -0.364 0.000 1.633 254 H HN -0.045 nan 8.280 nan 0.000 0.576 255 I N 1.877 122.614 120.570 0.279 0.000 2.130 255 I HA -0.253 3.917 4.170 0.001 0.000 0.241 255 I C -0.700 175.612 176.117 0.324 0.000 1.023 255 I CA 1.570 63.061 61.300 0.319 0.000 1.293 255 I CB -2.295 35.907 38.000 0.336 0.000 1.001 255 I HN 0.290 nan 8.210 nan 0.000 0.407 256 P HA -0.066 nan 4.420 nan 0.000 0.245 256 P C 0.266 177.516 177.300 -0.084 0.000 1.212 256 P CA 0.758 63.661 63.100 -0.328 0.000 0.774 256 P CB -0.486 30.683 31.700 -0.886 0.000 0.999 257 H N 0.406 119.481 119.070 0.008 0.000 2.944 257 H HA 0.359 4.915 4.556 0.001 0.000 0.278 257 H C 0.055 175.384 175.328 0.001 0.000 1.083 257 H CA 0.167 56.215 56.048 0.001 0.000 1.479 257 H CB 0.548 30.232 29.762 -0.130 0.000 1.486 257 H HN 0.024 nan 8.280 nan 0.000 0.493 258 S N 1.972 117.716 115.700 0.074 0.000 2.566 258 S HA 0.436 4.907 4.470 0.001 0.000 0.273 258 S C -0.030 174.594 174.600 0.040 0.000 1.157 258 S CA -0.359 57.881 58.200 0.066 0.000 0.938 258 S CB 1.228 64.484 63.200 0.093 0.000 1.087 258 S HN 0.707 nan 8.310 nan 0.000 0.474 259 A N 4.647 127.489 122.820 0.036 0.000 2.423 259 A HA 0.451 4.772 4.320 0.001 0.000 0.246 259 A C 0.416 178.018 177.584 0.030 0.000 1.278 259 A CA -0.277 51.779 52.037 0.030 0.000 0.903 259 A CB -0.479 18.539 19.000 0.030 0.000 0.997 259 A HN 0.785 nan 8.150 nan 0.000 0.510 260 I N 0.340 120.930 120.570 0.033 0.000 2.752 260 I HA 0.205 4.375 4.170 0.001 0.000 0.289 260 I C 1.568 177.703 176.117 0.030 0.000 1.197 260 I CA 1.722 63.039 61.300 0.030 0.000 1.432 260 I CB 0.525 38.544 38.000 0.032 0.000 1.359 260 I HN 0.501 nan 8.210 nan 0.000 0.571 261 G N 5.183 113.997 108.800 0.024 0.000 2.195 261 G HA2 -0.247 3.714 3.960 0.001 0.000 0.246 261 G HA3 -0.247 3.714 3.960 0.001 0.000 0.246 261 G C 0.156 175.069 174.900 0.021 0.000 0.984 261 G CA 0.053 45.167 45.100 0.023 0.000 0.633 261 G HN 0.482 nan 8.290 nan 0.000 0.525 262 L N -0.074 121.162 121.223 0.022 0.000 3.366 262 L HA 0.505 4.845 4.340 0.001 0.000 0.304 262 L C 1.260 178.141 176.870 0.020 0.000 1.292 262 L CA -0.088 54.764 54.840 0.020 0.000 1.012 262 L CB 0.501 42.574 42.059 0.023 0.000 1.414 262 L HN 0.068 nan 8.230 nan 0.000 0.603 263 E N 1.255 121.466 120.200 0.018 0.000 2.233 263 E HA -0.272 4.079 4.350 0.001 0.000 0.199 263 E C 1.253 177.862 176.600 0.015 0.000 1.004 263 E CA 1.753 58.163 56.400 0.017 0.000 0.819 263 E CB -0.160 29.549 29.700 0.014 0.000 0.738 263 E HN 0.758 nan 8.360 nan 0.000 0.478 264 D N -0.603 119.805 120.400 0.013 0.000 2.363 264 D HA -0.105 4.535 4.640 0.001 0.000 0.226 264 D C 0.270 176.576 176.300 0.010 0.000 1.020 264 D CA 0.162 54.168 54.000 0.010 0.000 0.892 264 D CB -0.014 40.791 40.800 0.008 0.000 0.900 264 D HN -0.086 nan 8.370 nan 0.000 0.531 265 N N 0.339 119.048 118.700 0.015 0.000 2.816 265 N HA 0.310 5.050 4.740 0.001 0.000 0.236 265 N C 0.972 176.498 175.510 0.025 0.000 1.076 265 N CA -0.045 53.015 53.050 0.016 0.000 0.902 265 N CB 0.939 39.438 38.487 0.020 0.000 1.149 265 N HN 0.076 nan 8.380 nan 0.000 0.506 266 A N 2.402 125.233 122.820 0.019 0.000 1.915 266 A HA -0.283 4.038 4.320 0.001 0.000 0.220 266 A C 2.182 179.796 177.584 0.050 0.000 1.198 266 A CA 2.711 54.763 52.037 0.025 0.000 0.647 266 A CB -0.923 18.084 19.000 0.011 0.000 0.825 266 A HN 0.742 nan 8.150 nan 0.000 0.456 267 S N -0.236 115.491 115.700 0.046 0.000 2.383 267 S HA 0.104 4.574 4.470 0.001 0.000 0.227 267 S C 2.059 176.791 174.600 0.219 0.000 1.026 267 S CA 1.410 59.674 58.200 0.107 0.000 0.981 267 S CB -0.650 62.531 63.200 -0.032 0.000 0.818 267 S HN 1.013 nan 8.310 nan 0.000 0.472 268 A N 2.072 124.970 122.820 0.129 0.000 1.897 268 A HA 0.073 4.394 4.320 0.001 0.000 0.215 268 A C 2.437 180.066 177.584 0.075 0.000 1.181 268 A CA 1.565 53.668 52.037 0.111 0.000 0.620 268 A CB -1.098 17.942 19.000 0.066 0.000 0.821 268 A HN 0.612 nan 8.150 nan 0.000 0.443 269 S N 0.848 116.585 115.700 0.061 0.000 2.382 269 S HA -0.053 4.417 4.470 0.001 0.000 0.228 269 S C 2.209 176.836 174.600 0.046 0.000 1.027 269 S CA 1.154 59.381 58.200 0.044 0.000 0.991 269 S CB -0.586 62.635 63.200 0.034 0.000 0.823 269 S HN 0.793 nan 8.310 nan 0.000 0.469 270 A N 1.474 124.337 122.820 0.072 0.000 1.908 270 A HA -0.017 4.303 4.320 0.001 0.000 0.218 270 A C 2.187 179.802 177.584 0.053 0.000 1.181 270 A CA 1.532 53.616 52.037 0.080 0.000 0.627 270 A CB -0.632 18.447 19.000 0.131 0.000 0.818 270 A HN 0.432 nan 8.150 nan 0.000 0.445 271 L N -1.049 120.197 121.223 0.038 0.000 2.127 271 L HA 0.134 4.475 4.340 0.001 0.000 0.203 271 L C 2.080 178.913 176.870 -0.061 0.000 1.080 271 L CA 1.354 56.148 54.840 -0.077 0.000 0.768 271 L CB -0.145 41.776 42.059 -0.231 0.000 0.924 271 L HN 0.344 nan 8.230 nan 0.000 0.444 272 L N -0.783 120.433 121.223 -0.012 0.000 2.354 272 L HA 0.363 4.704 4.340 0.001 0.000 0.212 272 L C 1.205 178.078 176.870 0.006 0.000 1.091 272 L CA 0.299 55.145 54.840 0.010 0.000 0.828 272 L CB -0.741 41.331 42.059 0.022 0.000 0.973 272 L HN 0.458 nan 8.230 nan 0.000 0.461 273 G N 1.154 109.958 108.800 0.007 0.000 2.760 273 G HA2 -0.258 3.702 3.960 0.001 0.000 0.246 273 G HA3 -0.258 3.702 3.960 0.001 0.000 0.246 273 G C 0.064 174.977 174.900 0.022 0.000 1.359 273 G CA -0.099 45.008 45.100 0.012 0.000 0.861 273 G HN 0.344 nan 8.290 nan 0.000 0.541 274 I N -2.714 117.869 120.570 0.021 0.000 4.050 274 I HA 0.485 4.656 4.170 0.001 0.000 0.327 274 I C 0.775 176.903 176.117 0.019 0.000 1.473 274 I CA -0.644 60.669 61.300 0.021 0.000 1.124 274 I CB 0.212 38.221 38.000 0.016 0.000 1.129 274 I HN 0.312 nan 8.210 nan 0.000 0.428 275 R N 2.146 122.661 120.500 0.024 0.000 2.459 275 R HA 0.404 4.744 4.340 0.001 0.000 0.281 275 R C 0.611 176.926 176.300 0.025 0.000 1.050 275 R CA -0.125 55.987 56.100 0.020 0.000 1.055 275 R CB 1.266 31.582 30.300 0.027 0.000 1.045 275 R HN 0.462 nan 8.270 nan 0.000 0.495 276 S N 2.473 118.166 115.700 -0.012 0.000 2.614 276 S HA 0.040 4.510 4.470 0.001 0.000 0.265 276 S C 1.338 175.931 174.600 -0.011 0.000 1.303 276 S CA -0.892 57.282 58.200 -0.043 0.000 1.000 276 S CB 0.515 63.614 63.200 -0.167 0.000 0.935 276 S HN 0.914 nan 8.310 nan 0.000 0.551 277 W N 1.242 122.533 121.300 -0.015 0.000 2.363 277 W HA -0.153 4.508 4.660 0.001 0.000 0.296 277 W C 1.117 177.580 176.519 -0.093 0.000 1.212 277 W CA 1.138 58.484 57.345 0.003 0.000 1.260 277 W CB -1.121 28.392 29.460 0.089 0.000 1.131 277 W HN 0.663 nan 8.180 nan 0.000 0.530 278 Q N 1.169 120.383 119.800 -0.978 0.000 2.124 278 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 278 Q C 2.367 178.155 176.000 -0.354 0.000 0.977 278 Q CA 3.227 58.375 55.803 -1.091 0.000 0.850 278 Q CB -0.842 27.212 28.738 -1.140 0.000 0.901 278 Q HN 0.161 nan 8.270 nan 0.000 0.429 279 T N 0.475 114.912 114.554 -0.195 0.000 2.708 279 T HA -0.149 4.201 4.350 0.001 0.000 0.266 279 T C 1.665 176.376 174.700 0.018 0.000 1.037 279 T CA 1.485 63.556 62.100 -0.048 0.000 1.146 279 T CB -0.149 68.700 68.868 -0.033 0.000 0.865 279 T HN 0.254 nan 8.240 nan 0.000 0.435 280 R N 1.226 121.752 120.500 0.043 0.000 2.073 280 R HA 0.065 4.406 4.340 0.001 0.000 0.234 280 R C 2.876 179.250 176.300 0.124 0.000 1.134 280 R CA 1.289 57.450 56.100 0.101 0.000 0.952 280 R CB -0.606 29.785 30.300 0.150 0.000 0.850 280 R HN 0.348 nan 8.270 nan 0.000 0.433 281 A N 1.454 124.356 122.820 0.137 0.000 1.940 281 A HA -0.156 4.165 4.320 0.001 0.000 0.219 281 A C 2.184 179.905 177.584 0.229 0.000 1.176 281 A CA 1.315 53.467 52.037 0.191 0.000 0.631 281 A CB -0.655 18.454 19.000 0.181 0.000 0.814 281 A HN 0.208 nan 8.150 nan 0.000 0.446 282 L N -0.594 120.757 121.223 0.213 0.000 2.261 282 L HA -0.189 4.151 4.340 0.001 0.000 0.216 282 L C 2.350 179.303 176.870 0.138 0.000 1.114 282 L CA 0.697 55.666 54.840 0.215 0.000 0.777 282 L CB -0.450 41.711 42.059 0.170 0.000 0.910 282 L HN 0.400 nan 8.230 nan 0.000 0.440 283 L N -0.635 120.657 121.223 0.116 0.000 2.131 283 L HA -0.238 4.103 4.340 0.001 0.000 0.210 283 L C 2.395 179.318 176.870 0.087 0.000 1.092 283 L CA 1.222 56.116 54.840 0.091 0.000 0.759 283 L CB -0.358 41.749 42.059 0.080 0.000 0.903 283 L HN 0.271 nan 8.230 nan 0.000 0.435 284 I N -0.162 120.470 120.570 0.103 0.000 2.179 284 I HA -0.334 3.836 4.170 0.001 0.000 0.242 284 I C 2.698 178.864 176.117 0.081 0.000 1.088 284 I CA 1.442 62.795 61.300 0.089 0.000 1.357 284 I CB -0.402 37.663 38.000 0.108 0.000 1.051 284 I HN 0.253 nan 8.210 nan 0.000 0.409 285 K N 1.528 121.984 120.400 0.093 0.000 2.057 285 K HA -0.190 4.131 4.320 0.001 0.000 0.207 285 K C 2.248 178.881 176.600 0.055 0.000 1.049 285 K CA 1.504 57.830 56.287 0.064 0.000 0.931 285 K CB -0.121 32.412 32.500 0.056 0.000 0.714 285 K HN 0.282 nan 8.250 nan 0.000 0.440 286 A N 1.612 124.472 122.820 0.066 0.000 1.883 286 A HA -0.158 4.163 4.320 0.001 0.000 0.217 286 A C 2.159 179.792 177.584 0.081 0.000 1.186 286 A CA 1.520 53.596 52.037 0.065 0.000 0.624 286 A CB -0.687 18.354 19.000 0.068 0.000 0.822 286 A HN 0.343 nan 8.150 nan 0.000 0.444 287 L N -0.678 120.601 121.223 0.093 0.000 2.093 287 L HA -0.158 4.182 4.340 0.001 0.000 0.208 287 L C 2.495 179.442 176.870 0.129 0.000 1.085 287 L CA 1.061 55.986 54.840 0.141 0.000 0.755 287 L CB -0.545 41.580 42.059 0.110 0.000 0.904 287 L HN 0.387 nan 8.230 nan 0.000 0.435 288 I N 0.016 120.629 120.570 0.072 0.000 2.163 288 I HA -0.311 3.860 4.170 0.001 0.000 0.243 288 I C 2.087 178.205 176.117 0.002 0.000 1.085 288 I CA 1.334 62.654 61.300 0.034 0.000 1.347 288 I CB -0.436 37.577 38.000 0.022 0.000 1.044 288 I HN 0.267 nan 8.210 nan 0.000 0.408 289 D N 0.388 120.795 120.400 0.011 0.000 2.182 289 D HA -0.174 4.466 4.640 0.001 0.000 0.201 289 D C 2.060 178.345 176.300 -0.026 0.000 0.986 289 D CA 1.008 55.004 54.000 -0.006 0.000 0.847 289 D CB -0.246 40.559 40.800 0.008 0.000 0.942 289 D HN 0.304 nan 8.370 nan 0.000 0.467 290 Q N -0.609 119.189 119.800 -0.003 0.000 2.444 290 Q HA 0.162 4.503 4.340 0.001 0.000 0.206 290 Q C 1.241 177.059 176.000 -0.305 0.000 0.948 290 Q CA 0.595 56.380 55.803 -0.029 0.000 0.946 290 Q CB 0.508 29.349 28.738 0.171 0.000 1.027 290 Q HN 0.372 nan 8.270 nan 0.000 0.513 291 G N 0.420 109.050 108.800 -0.282 0.000 2.141 291 G HA2 -0.284 3.677 3.960 0.001 0.000 0.242 291 G HA3 -0.284 3.677 3.960 0.001 0.000 0.242 291 G C -0.078 174.520 174.900 -0.504 0.000 0.982 291 G CA -0.005 44.850 45.100 -0.407 0.000 0.662 291 G HN 0.366 nan 8.290 nan 0.000 0.527 292 Y N 0.463 120.755 120.300 -0.013 0.000 2.801 292 Y HA 0.395 4.945 4.550 0.001 0.000 0.318 292 Y C 2.338 178.223 175.900 -0.025 0.000 1.073 292 Y CA 0.146 58.234 58.100 -0.020 0.000 1.360 292 Y CB -0.396 38.052 38.460 -0.020 0.000 1.220 292 Y HN 0.490 nan 8.280 nan 0.000 0.536 293 M N -1.358 118.279 119.600 0.061 0.000 2.279 293 M HA -0.133 4.348 4.480 0.001 0.000 0.264 293 M C 1.008 177.321 176.300 0.021 0.000 1.062 293 M CA 1.829 57.148 55.300 0.032 0.000 1.099 293 M CB -0.258 32.343 32.600 0.001 0.000 1.394 293 M HN 0.057 nan 8.290 nan 0.000 0.426 294 K N 0.662 121.079 120.400 0.028 0.000 2.487 294 K HA 0.052 4.373 4.320 0.001 0.000 0.192 294 K C 0.862 177.466 176.600 0.008 0.000 1.027 294 K CA 0.359 56.653 56.287 0.012 0.000 1.054 294 K CB 0.161 32.667 32.500 0.011 0.000 0.824 294 K HN 0.618 nan 8.250 nan 0.000 0.510 295 Q N 0.227 120.041 119.800 0.023 0.000 2.159 295 Q HA 0.248 4.588 4.340 0.001 0.000 0.217 295 Q C 0.049 176.012 176.000 -0.062 0.000 0.818 295 Q CA 0.042 55.833 55.803 -0.020 0.000 1.008 295 Q CB 0.851 29.586 28.738 -0.005 0.000 1.148 295 Q HN 0.247 nan 8.270 nan 0.000 0.491 296 I N 1.617 122.159 120.570 -0.047 0.000 2.392 296 I HA 0.354 4.524 4.170 0.001 0.000 0.295 296 I C -0.446 175.607 176.117 -0.106 0.000 0.985 296 I CA -0.750 60.511 61.300 -0.065 0.000 1.221 296 I CB 1.292 39.279 38.000 -0.022 0.000 1.366 296 I HN -0.076 nan 8.210 nan 0.000 0.467 297 L N 6.533 127.677 121.223 -0.132 0.000 2.381 297 L HA 0.598 4.939 4.340 0.001 0.000 0.274 297 L C -0.821 175.997 176.870 -0.086 0.000 0.988 297 L CA -0.778 53.975 54.840 -0.144 0.000 0.824 297 L CB 2.086 44.002 42.059 -0.238 0.000 1.263 297 L HN 0.261 nan 8.230 nan 0.000 0.410 298 V N 1.634 121.513 119.914 -0.058 0.000 2.581 298 V HA 0.780 4.901 4.120 0.001 0.000 0.303 298 V C -0.120 175.992 176.094 0.030 0.000 1.041 298 V CA -0.267 62.029 62.300 -0.007 0.000 0.907 298 V CB 1.894 33.718 31.823 0.002 0.000 0.994 298 V HN 0.848 nan 8.190 nan 0.000 0.442 299 S N 1.471 117.215 115.700 0.073 0.000 2.703 299 S HA 0.432 4.903 4.470 0.001 0.000 0.273 299 S C -0.065 174.637 174.600 0.170 0.000 1.178 299 S CA -0.553 57.720 58.200 0.123 0.000 0.838 299 S CB 1.795 65.073 63.200 0.129 0.000 1.178 299 S HN 0.786 nan 8.310 nan 0.000 0.494 300 N N 0.750 119.584 118.700 0.223 0.000 2.273 300 N HA 0.103 4.843 4.740 0.001 0.000 0.192 300 N C -0.765 175.041 175.510 0.493 0.000 1.132 300 N CA 0.305 53.547 53.050 0.320 0.000 0.887 300 N CB 0.164 38.803 38.487 0.254 0.000 1.048 300 N HN 0.740 nan 8.380 nan 0.000 0.490 301 D N 0.245 120.883 120.400 0.397 0.000 2.699 301 D HA -0.185 4.456 4.640 0.001 0.000 0.239 301 D C -0.549 176.058 176.300 0.512 0.000 1.136 301 D CA 0.405 54.683 54.000 0.463 0.000 0.668 301 D CB -1.123 39.858 40.800 0.301 0.000 1.060 301 D HN 0.377 nan 8.370 nan 0.000 0.429 302 W N -0.442 120.925 121.300 0.112 0.000 2.260 302 W HA 0.552 5.212 4.660 0.001 0.000 0.366 302 W C -0.078 176.322 176.519 -0.198 0.000 1.315 302 W CA -0.639 56.662 57.345 -0.073 0.000 1.458 302 W CB 0.720 30.082 29.460 -0.162 0.000 1.255 302 W HN 0.068 nan 8.180 nan 0.000 0.671 303 L N -0.701 120.066 121.223 -0.761 0.000 2.940 303 L HA 0.381 4.721 4.340 0.001 0.000 0.270 303 L C -0.702 175.680 176.870 -0.815 0.000 1.030 303 L CA -0.810 53.615 54.840 -0.691 0.000 0.928 303 L CB 0.328 42.084 42.059 -0.504 0.000 1.506 303 L HN 0.318 nan 8.230 nan 0.000 0.405 304 F N -0.437 119.494 119.950 -0.032 0.000 2.720 304 F HA 0.725 5.253 4.527 0.001 0.000 0.301 304 F C 1.169 176.998 175.800 0.049 0.000 1.103 304 F CA -0.019 57.996 58.000 0.027 0.000 1.291 304 F CB 0.917 39.945 39.000 0.047 0.000 1.086 304 F HN 0.711 nan 8.300 nan 0.000 0.592 305 G N -0.315 108.581 108.800 0.159 0.000 2.706 305 G HA2 0.503 4.464 3.960 0.001 0.000 0.297 305 G HA3 0.503 4.464 3.960 0.001 0.000 0.297 305 G C -2.142 172.963 174.900 0.342 0.000 1.403 305 G CA -0.381 44.904 45.100 0.309 0.000 0.954 305 G HN -0.160 nan 8.290 nan 0.000 0.500 306 F N 2.723 122.848 119.950 0.292 0.000 3.164 306 F HA 0.398 4.925 4.527 0.001 0.000 0.375 306 F C 0.837 176.742 175.800 0.174 0.000 1.257 306 F CA -1.595 56.476 58.000 0.117 0.000 1.171 306 F CB 1.565 40.550 39.000 -0.024 0.000 1.588 306 F HN 0.488 nan 8.300 nan 0.000 0.604 307 S N 0.814 116.694 115.700 0.300 0.000 2.503 307 S HA -0.018 4.453 4.470 0.001 0.000 0.215 307 S C 1.359 175.711 174.600 -0.413 0.000 1.003 307 S CA 0.670 58.669 58.200 -0.336 0.000 0.910 307 S CB -0.271 62.245 63.200 -1.138 0.000 0.790 307 S HN 0.497 nan 8.310 nan 0.000 0.514 308 S N 0.068 115.702 115.700 -0.109 0.000 2.851 308 S HA 0.309 4.779 4.470 0.001 0.000 0.227 308 S C -0.224 174.387 174.600 0.018 0.000 0.958 308 S CA -0.517 57.662 58.200 -0.034 0.000 0.990 308 S CB -0.807 62.474 63.200 0.135 0.000 0.790 308 S HN 0.616 nan 8.310 nan 0.000 0.509 309 Y N 0.223 120.250 120.300 -0.455 0.000 2.896 309 Y HA 0.523 5.073 4.550 0.001 0.000 0.317 309 Y C -0.304 175.390 175.900 -0.344 0.000 1.444 309 Y CA -1.574 56.239 58.100 -0.480 0.000 1.084 309 Y CB 0.967 38.895 38.460 -0.886 0.000 1.382 309 Y HN 0.129 nan 8.280 nan 0.000 0.471 310 V N 0.603 120.057 119.914 -0.766 0.000 2.999 310 V HA 0.272 4.392 4.120 0.001 0.000 0.307 310 V C 0.029 175.981 176.094 -0.237 0.000 1.084 310 V CA -0.376 61.647 62.300 -0.461 0.000 1.155 310 V CB -0.030 31.505 31.823 -0.480 0.000 0.975 310 V HN 0.759 nan 8.190 nan 0.000 0.490 311 T N 4.786 119.257 114.554 -0.137 0.000 2.934 311 T HA 0.173 4.524 4.350 0.001 0.000 0.306 311 T C 0.889 175.518 174.700 -0.119 0.000 1.042 311 T CA 1.244 63.288 62.100 -0.092 0.000 1.145 311 T CB -0.440 68.377 68.868 -0.084 0.000 0.982 311 T HN 1.143 nan 8.240 nan 0.000 0.544 312 N N -0.476 118.147 118.700 -0.129 0.000 2.984 312 N HA -0.186 4.554 4.740 0.001 0.000 0.227 312 N C 0.854 176.333 175.510 -0.051 0.000 0.903 312 N CA 0.652 53.646 53.050 -0.093 0.000 0.995 312 N CB -1.430 37.007 38.487 -0.082 0.000 1.065 312 N HN 0.558 nan 8.380 nan 0.000 0.585 313 I N 0.822 121.356 120.570 -0.059 0.000 2.248 313 I HA -0.196 3.974 4.170 0.001 0.000 0.248 313 I C 2.199 178.328 176.117 0.021 0.000 1.107 313 I CA 1.747 63.038 61.300 -0.015 0.000 1.373 313 I CB -0.163 37.818 38.000 -0.033 0.000 1.055 313 I HN 0.393 nan 8.210 nan 0.000 0.418 314 M N 0.375 120.000 119.600 0.041 0.000 2.108 314 M HA -0.251 4.230 4.480 0.001 0.000 0.261 314 M C 1.644 177.971 176.300 0.044 0.000 1.066 314 M CA 2.049 57.387 55.300 0.062 0.000 1.107 314 M CB -0.549 32.119 32.600 0.114 0.000 1.356 314 M HN 0.224 nan 8.290 nan 0.000 0.406 315 D N -0.770 119.647 120.400 0.029 0.000 2.144 315 D HA -0.120 4.521 4.640 0.001 0.000 0.200 315 D C 2.126 178.450 176.300 0.040 0.000 0.978 315 D CA 1.422 55.443 54.000 0.034 0.000 0.833 315 D CB -0.475 40.331 40.800 0.010 0.000 0.961 315 D HN 0.281 nan 8.370 nan 0.000 0.470 316 V N 0.813 120.743 119.914 0.027 0.000 2.295 316 V HA -0.248 3.872 4.120 0.001 0.000 0.246 316 V C 2.480 178.604 176.094 0.049 0.000 1.049 316 V CA 1.422 63.740 62.300 0.031 0.000 1.024 316 V CB -0.409 31.428 31.823 0.024 0.000 0.648 316 V HN 0.195 nan 8.190 nan 0.000 0.447 317 M N -0.348 119.276 119.600 0.040 0.000 2.117 317 M HA -0.189 4.292 4.480 0.001 0.000 0.262 317 M C 1.945 178.405 176.300 0.267 0.000 1.065 317 M CA 1.815 57.154 55.300 0.065 0.000 1.114 317 M CB -0.613 31.854 32.600 -0.223 0.000 1.361 317 M HN 0.307 nan 8.290 nan 0.000 0.408 318 D N -0.149 120.383 120.400 0.221 0.000 2.218 318 D HA -0.106 4.535 4.640 0.001 0.000 0.204 318 D C 2.021 178.408 176.300 0.145 0.000 0.976 318 D CA 1.101 55.261 54.000 0.267 0.000 0.853 318 D CB -0.188 40.739 40.800 0.211 0.000 0.939 318 D HN 0.303 nan 8.370 nan 0.000 0.481 319 R N 0.015 120.573 120.500 0.096 0.000 2.090 319 R HA -0.020 4.320 4.340 0.001 0.000 0.228 319 R C 2.364 178.684 176.300 0.034 0.000 1.110 319 R CA 0.376 56.508 56.100 0.054 0.000 0.973 319 R CB -0.093 30.231 30.300 0.041 0.000 0.869 319 R HN 0.015 nan 8.270 nan 0.000 0.440 320 V N 0.883 120.824 119.914 0.045 0.000 2.295 320 V HA -0.167 3.953 4.120 0.001 0.000 0.246 320 V C 0.675 176.715 176.094 -0.089 0.000 1.049 320 V CA 1.373 63.675 62.300 0.003 0.000 1.024 320 V CB -0.440 31.397 31.823 0.024 0.000 0.648 320 V HN 0.328 nan 8.190 nan 0.000 0.447 321 N N -0.230 118.403 118.700 -0.112 0.000 2.762 321 N HA 0.276 5.016 4.740 0.001 0.000 0.252 321 N C -2.215 173.135 175.510 -0.265 0.000 1.269 321 N CA -1.865 50.952 53.050 -0.388 0.000 0.799 321 N CB 1.664 39.609 38.487 -0.904 0.000 1.173 321 N HN 0.016 nan 8.380 nan 0.000 0.516 322 P HA 0.014 nan 4.420 nan 0.000 0.223 322 P C 0.308 177.554 177.300 -0.091 0.000 1.151 322 P CA 0.815 63.883 63.100 -0.052 0.000 0.787 322 P CB 0.474 32.165 31.700 -0.015 0.000 0.788 323 D N -0.762 119.542 120.400 -0.160 0.000 2.312 323 D HA 0.007 4.648 4.640 0.001 0.000 0.211 323 D C 1.673 177.829 176.300 -0.240 0.000 0.964 323 D CA 1.220 55.141 54.000 -0.131 0.000 0.877 323 D CB -0.508 40.267 40.800 -0.042 0.000 0.924 323 D HN 0.080 nan 8.370 nan 0.000 0.515 324 G N 1.469 109.949 108.800 -0.534 0.000 2.627 324 G HA2 -0.418 3.543 3.960 0.001 0.000 0.312 324 G HA3 -0.418 3.543 3.960 0.001 0.000 0.312 324 G C 1.159 175.672 174.900 -0.646 0.000 1.299 324 G CA 0.650 45.194 45.100 -0.926 0.000 0.989 324 G HN 0.267 nan 8.290 nan 0.000 0.547 325 M N 0.828 120.275 119.600 -0.254 0.000 2.346 325 M HA -0.030 4.450 4.480 0.001 0.000 0.263 325 M C 2.796 179.083 176.300 -0.021 0.000 1.064 325 M CA 1.840 57.117 55.300 -0.039 0.000 1.083 325 M CB -0.374 32.298 32.600 0.119 0.000 1.399 325 M HN 0.713 nan 8.290 nan 0.000 0.435 326 A N -0.470 122.318 122.820 -0.053 0.000 2.206 326 A HA -0.086 4.234 4.320 0.001 0.000 0.211 326 A C 1.797 179.336 177.584 -0.075 0.000 1.158 326 A CA 0.399 52.398 52.037 -0.063 0.000 0.761 326 A CB -0.874 18.085 19.000 -0.068 0.000 0.801 326 A HN 0.475 nan 8.150 nan 0.000 0.473 327 F N 0.843 120.643 119.950 -0.250 0.000 2.120 327 F HA -0.250 4.278 4.527 0.001 0.000 0.300 327 F C 1.896 177.571 175.800 -0.209 0.000 1.095 327 F CA 1.582 59.401 58.000 -0.301 0.000 1.249 327 F CB -0.035 38.711 39.000 -0.424 0.000 0.995 327 F HN 0.197 nan 8.300 nan 0.000 0.480 328 I N 1.344 121.879 120.570 -0.057 0.000 2.142 328 I HA -0.200 3.971 4.170 0.001 0.000 0.240 328 I C -0.334 175.754 176.117 -0.049 0.000 1.078 328 I CA 1.663 62.940 61.300 -0.038 0.000 1.343 328 I CB -2.932 35.156 38.000 0.147 0.000 1.046 328 I HN 0.113 nan 8.210 nan 0.000 0.405 329 P HA -0.058 nan 4.420 nan 0.000 0.220 329 P C 2.246 179.464 177.300 -0.136 0.000 1.152 329 P CA 1.252 64.314 63.100 -0.063 0.000 0.812 329 P CB 0.091 31.608 31.700 -0.305 0.000 0.792 330 L N -1.324 119.777 121.223 -0.203 0.000 2.131 330 L HA 0.018 4.358 4.340 0.001 0.000 0.206 330 L C 2.687 179.387 176.870 -0.284 0.000 1.087 330 L CA 1.118 55.833 54.840 -0.208 0.000 0.767 330 L CB -0.318 41.626 42.059 -0.192 0.000 0.917 330 L HN -0.097 nan 8.230 nan 0.000 0.441 331 R N -1.170 119.003 120.500 -0.544 0.000 2.243 331 R HA 0.129 4.469 4.340 0.001 0.000 0.193 331 R C 2.115 178.102 176.300 -0.521 0.000 0.933 331 R CA 0.557 56.228 56.100 -0.715 0.000 1.105 331 R CB -0.439 28.943 30.300 -1.530 0.000 1.169 331 R HN 0.086 nan 8.270 nan 0.000 0.599 332 V N 2.524 122.091 119.914 -0.578 0.000 2.261 332 V HA -0.194 3.926 4.120 0.001 0.000 0.246 332 V C 2.473 178.631 176.094 0.107 0.000 1.047 332 V CA 1.544 63.759 62.300 -0.142 0.000 1.015 332 V CB -0.450 31.318 31.823 -0.092 0.000 0.642 332 V HN 0.079 nan 8.190 nan 0.000 0.446 333 I N 0.206 120.806 120.570 0.051 0.000 2.179 333 I HA -0.119 4.051 4.170 0.001 0.000 0.242 333 I C 0.115 176.290 176.117 0.097 0.000 1.088 333 I CA 1.805 63.164 61.300 0.097 0.000 1.357 333 I CB -2.773 35.300 38.000 0.123 0.000 1.051 333 I HN 0.343 nan 8.210 nan 0.000 0.409 334 P HA -0.171 nan 4.420 nan 0.000 0.217 334 P C 2.039 179.418 177.300 0.132 0.000 1.150 334 P CA 1.220 64.366 63.100 0.076 0.000 0.832 334 P CB -0.190 31.538 31.700 0.046 0.000 0.787 335 F N 0.267 120.259 119.950 0.071 0.000 2.075 335 F HA -0.185 4.342 4.527 0.001 0.000 0.297 335 F C 1.948 177.797 175.800 0.082 0.000 1.113 335 F CA 1.525 59.602 58.000 0.128 0.000 1.218 335 F CB -0.835 38.344 39.000 0.299 0.000 0.984 335 F HN -0.269 nan 8.300 nan 0.000 0.472 336 L N 0.156 121.471 121.223 0.153 0.000 2.046 336 L HA -0.214 4.127 4.340 0.001 0.000 0.208 336 L C 2.733 179.560 176.870 -0.072 0.000 1.077 336 L CA 1.608 56.453 54.840 0.007 0.000 0.747 336 L CB -0.729 41.407 42.059 0.129 0.000 0.896 336 L HN 0.143 nan 8.230 nan 0.000 0.432 337 R N 0.875 121.364 120.500 -0.019 0.000 2.105 337 R HA -0.215 4.126 4.340 0.001 0.000 0.239 337 R C 2.111 178.370 176.300 -0.068 0.000 1.135 337 R CA 1.929 58.012 56.100 -0.028 0.000 0.967 337 R CB -0.069 30.232 30.300 0.001 0.000 0.861 337 R HN 0.591 nan 8.270 nan 0.000 0.442 338 E N -0.176 119.961 120.200 -0.105 0.000 2.274 338 E HA -0.097 4.253 4.350 0.001 0.000 0.194 338 E C 0.921 177.411 176.600 -0.184 0.000 0.996 338 E CA 0.687 57.012 56.400 -0.125 0.000 0.840 338 E CB 0.127 29.765 29.700 -0.105 0.000 0.772 338 E HN 0.057 nan 8.360 nan 0.000 0.491 339 K N 0.337 120.580 120.400 -0.261 0.000 2.504 339 K HA 0.145 4.465 4.320 0.001 0.000 0.199 339 K C 0.927 177.445 176.600 -0.137 0.000 1.028 339 K CA 0.605 56.740 56.287 -0.252 0.000 1.164 339 K CB 0.777 33.053 32.500 -0.374 0.000 0.877 339 K HN 0.396 nan 8.250 nan 0.000 0.508 340 G N 0.547 109.287 108.800 -0.100 0.000 2.195 340 G HA2 -0.254 3.707 3.960 0.001 0.000 0.246 340 G HA3 -0.254 3.707 3.960 0.001 0.000 0.246 340 G C 0.225 175.098 174.900 -0.046 0.000 0.984 340 G CA 0.040 45.102 45.100 -0.063 0.000 0.633 340 G HN 0.141 nan 8.290 nan 0.000 0.525 341 V N 3.456 123.343 119.914 -0.046 0.000 2.521 341 V HA 0.370 4.491 4.120 0.001 0.000 0.286 341 V C -1.126 174.959 176.094 -0.015 0.000 1.034 341 V CA -0.870 61.417 62.300 -0.022 0.000 1.045 341 V CB 0.932 32.751 31.823 -0.006 0.000 0.974 341 V HN 0.243 nan 8.190 nan 0.000 0.480 342 P HA 0.111 nan 4.420 nan 0.000 0.272 342 P C 0.481 177.780 177.300 -0.002 0.000 1.223 342 P CA -0.265 62.829 63.100 -0.009 0.000 0.784 342 P CB 0.795 32.489 31.700 -0.011 0.000 0.923 343 Q N 2.277 122.078 119.800 0.002 0.000 2.062 343 Q HA -0.280 4.060 4.340 0.001 0.000 0.209 343 Q C 1.433 177.438 176.000 0.008 0.000 0.996 343 Q CA 2.431 58.240 55.803 0.009 0.000 0.859 343 Q CB -0.679 28.064 28.738 0.009 0.000 0.920 343 Q HN 0.377 nan 8.270 nan 0.000 0.415 344 E N -0.450 119.751 120.200 0.002 0.000 2.153 344 E HA -0.129 4.221 4.350 0.001 0.000 0.194 344 E C 2.001 178.597 176.600 -0.007 0.000 0.988 344 E CA 1.722 58.121 56.400 -0.002 0.000 0.811 344 E CB -0.364 29.333 29.700 -0.005 0.000 0.746 344 E HN 0.430 nan 8.360 nan 0.000 0.466 345 T N 0.611 115.160 114.554 -0.008 0.000 2.857 345 T HA -0.004 4.346 4.350 0.001 0.000 0.266 345 T C 1.798 176.488 174.700 -0.015 0.000 1.048 345 T CA 0.618 62.711 62.100 -0.012 0.000 1.139 345 T CB -0.140 68.722 68.868 -0.010 0.000 0.874 345 T HN 0.068 nan 8.240 nan 0.000 0.455 346 L N 0.851 122.071 121.223 -0.006 0.000 2.046 346 L HA -0.075 4.266 4.340 0.001 0.000 0.208 346 L C 3.047 179.898 176.870 -0.032 0.000 1.077 346 L CA 1.313 56.150 54.840 -0.005 0.000 0.747 346 L CB -0.673 41.400 42.059 0.025 0.000 0.896 346 L HN 0.232 nan 8.230 nan 0.000 0.432 347 A N 0.257 123.068 122.820 -0.015 0.000 1.930 347 A HA -0.074 4.247 4.320 0.001 0.000 0.217 347 A C 2.401 179.953 177.584 -0.054 0.000 1.175 347 A CA 1.531 53.554 52.037 -0.022 0.000 0.627 347 A CB -1.131 17.874 19.000 0.008 0.000 0.815 347 A HN 0.440 nan 8.150 nan 0.000 0.443 348 G N 0.154 108.929 108.800 -0.042 0.000 2.421 348 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 348 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 348 G C 1.515 176.375 174.900 -0.067 0.000 1.171 348 G CA 1.169 46.243 45.100 -0.043 0.000 0.775 348 G HN 0.469 nan 8.290 nan 0.000 0.543 349 I N 1.410 121.933 120.570 -0.078 0.000 2.315 349 I HA -0.127 4.043 4.170 0.001 0.000 0.248 349 I C 3.051 179.065 176.117 -0.171 0.000 1.117 349 I CA 1.702 62.943 61.300 -0.099 0.000 1.404 349 I CB -0.197 37.758 38.000 -0.075 0.000 1.071 349 I HN 0.336 nan 8.210 nan 0.000 0.419 350 T N -3.012 111.383 114.554 -0.264 0.000 3.067 350 T HA 0.106 4.456 4.350 0.001 0.000 0.257 350 T C 1.421 175.871 174.700 -0.415 0.000 1.105 350 T CA 0.497 62.287 62.100 -0.517 0.000 1.104 350 T CB 0.163 68.413 68.868 -1.029 0.000 0.925 350 T HN 0.125 nan 8.240 nan 0.000 0.498 351 V N 0.630 120.417 119.914 -0.211 0.000 3.029 351 V HA 0.047 4.168 4.120 0.001 0.000 0.230 351 V C 2.763 178.826 176.094 -0.052 0.000 1.254 351 V CA 1.062 63.303 62.300 -0.098 0.000 1.276 351 V CB -0.265 31.533 31.823 -0.042 0.000 1.080 351 V HN 0.367 nan 8.190 nan 0.000 0.495 352 T N 1.370 115.895 114.554 -0.048 0.000 2.622 352 T HA -0.187 4.164 4.350 0.001 0.000 0.266 352 T C 1.778 176.467 174.700 -0.018 0.000 1.047 352 T CA 2.113 64.197 62.100 -0.026 0.000 1.159 352 T CB -0.379 68.475 68.868 -0.022 0.000 0.863 352 T HN 0.350 nan 8.240 nan 0.000 0.422 353 N N 1.617 120.297 118.700 -0.032 0.000 2.043 353 N HA -0.057 4.683 4.740 0.001 0.000 0.193 353 N C -0.928 174.596 175.510 0.024 0.000 1.037 353 N CA 1.293 54.331 53.050 -0.020 0.000 0.851 353 N CB -1.608 36.844 38.487 -0.058 0.000 1.027 353 N HN 0.343 nan 8.380 nan 0.000 0.422 354 P HA -0.034 nan 4.420 nan 0.000 0.217 354 P C 1.093 178.453 177.300 0.100 0.000 1.150 354 P CA 1.557 64.706 63.100 0.081 0.000 0.832 354 P CB -0.101 31.616 31.700 0.029 0.000 0.787 355 A N 0.137 122.981 122.820 0.041 0.000 1.883 355 A HA -0.237 4.084 4.320 0.001 0.000 0.217 355 A C 2.475 180.074 177.584 0.025 0.000 1.186 355 A CA 1.836 53.885 52.037 0.020 0.000 0.624 355 A CB -1.299 17.703 19.000 0.003 0.000 0.822 355 A HN 0.026 nan 8.150 nan 0.000 0.444 356 R N -1.896 118.629 120.500 0.042 0.000 2.073 356 R HA -0.156 4.185 4.340 0.001 0.000 0.234 356 R C 2.003 178.350 176.300 0.078 0.000 1.134 356 R CA 1.818 57.943 56.100 0.041 0.000 0.952 356 R CB -0.457 29.864 30.300 0.035 0.000 0.850 356 R HN 0.487 nan 8.270 nan 0.000 0.433 357 F N 1.453 121.370 119.950 -0.055 0.000 2.069 357 F HA -0.166 4.362 4.527 0.001 0.000 0.298 357 F C 1.852 177.613 175.800 -0.065 0.000 1.113 357 F CA 1.566 59.530 58.000 -0.061 0.000 1.214 357 F CB -0.490 38.476 39.000 -0.057 0.000 0.978 357 F HN -0.020 nan 8.300 nan 0.000 0.474 358 L N -0.585 120.572 121.223 -0.110 0.000 2.141 358 L HA -0.125 4.215 4.340 0.001 0.000 0.209 358 L C 1.478 178.237 176.870 -0.187 0.000 1.094 358 L CA 0.833 55.545 54.840 -0.214 0.000 0.763 358 L CB -1.019 40.983 42.059 -0.095 0.000 0.908 358 L HN 0.035 nan 8.230 nan 0.000 0.437 359 S N 1.446 117.075 115.700 -0.119 0.000 2.555 359 S HA 0.073 4.543 4.470 0.001 0.000 0.293 359 S C -2.124 172.398 174.600 -0.131 0.000 1.248 359 S CA -1.390 56.748 58.200 -0.103 0.000 1.096 359 S CB 0.072 63.232 63.200 -0.067 0.000 0.881 359 S HN -0.044 nan 8.310 nan 0.000 0.498 360 P HA 0.109 nan 4.420 nan 0.000 0.261 360 P C -0.877 176.360 177.300 -0.105 0.000 1.183 360 P CA 0.182 63.203 63.100 -0.131 0.000 0.761 360 P CB 0.326 31.957 31.700 -0.114 0.000 0.785 361 T N 4.542 119.030 114.554 -0.110 0.000 2.890 361 T HA 0.435 4.785 4.350 0.001 0.000 0.295 361 T C 0.044 174.697 174.700 -0.078 0.000 0.993 361 T CA -0.518 61.531 62.100 -0.085 0.000 0.979 361 T CB 0.464 69.285 68.868 -0.080 0.000 0.967 361 T HN 0.119 nan 8.240 nan 0.000 0.441 362 L N 2.646 123.832 121.223 -0.062 0.000 2.357 362 L HA 0.575 4.915 4.340 0.001 0.000 0.273 362 L C 0.938 177.781 176.870 -0.045 0.000 1.080 362 L CA -1.100 53.708 54.840 -0.054 0.000 0.803 362 L CB 0.811 42.843 42.059 -0.045 0.000 1.174 362 L HN 0.527 nan 8.230 nan 0.000 0.443 363 R N 2.290 122.765 120.500 -0.042 0.000 2.643 363 R HA 0.422 4.763 4.340 0.001 0.000 0.270 363 R C -0.073 176.210 176.300 -0.027 0.000 1.061 363 R CA -0.156 55.922 56.100 -0.035 0.000 1.107 363 R CB 0.739 31.020 30.300 -0.031 0.000 0.999 363 R HN 0.732 nan 8.270 nan 0.000 0.460 364 A N 2.689 125.494 122.820 -0.025 0.000 2.448 364 A HA 0.273 4.594 4.320 0.001 0.000 0.239 364 A C -0.104 177.470 177.584 -0.015 0.000 1.080 364 A CA 0.198 52.223 52.037 -0.020 0.000 0.779 364 A CB 0.184 19.173 19.000 -0.018 0.000 1.026 364 A HN 0.937 nan 8.150 nan 0.000 0.499 365 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 -0.009 0.000 1.107 365 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517