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 3c6g_1_A DATA FIRST_RESID 39 DATA SEQUENCE FPPGPPGLPF IGNIYSLAAS SELPHVYMRK QSQVYGEIFS LDLGGISTVV DATA SEQUENCE LNGYDVVKEC LVHQSEIFAD RPCLPLFMKM TKMGGLLNSR YGRGWVDHRR DATA SEQUENCE LAVNSFRYFG YGQKSFESKI LEETKFFNDA IETYKGRPFD FKQLITNAVS DATA SEQUENCE NITNLIIFGE RFTYEDTDFQ HMIELFSENV ELAASASVFL YNAFPWIGIL DATA SEQUENCE PFGKHQQLFR NAAVVYDFLS RLIEKASVNR KPQLPQHFVD AYLDEMDQGK DATA SEQUENCE NDPSSTFSKE NLIFSVGELI IAGTETTTNV LRWAILFMAL YPNIQGQVQK DATA SEQUENCE EIDLIMGPNG KPSWDDKCKM PYTEAVLHEV LRFCNIVPLG IFHATSEDAV DATA SEQUENCE VRGYSIPKGT TVITNLYSVH FDEKYWRDPE VFHPERFLDS SGYFAKKEAL DATA SEQUENCE VPFSLGRRHC LGEHLARMEM FLFFTALLQR FHLHFPHELV PDLKPRLGMT DATA SEQUENCE LQPQPYLICA ERRH 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 39 F HA 0.000 nan 4.527 nan 0.000 0.279 39 F C 0.000 175.770 175.800 -0.050 0.000 0.967 39 F CA 0.000 58.047 58.000 0.078 0.000 1.383 39 F CB 0.000 39.015 39.000 0.025 0.000 1.145 40 P HA 0.241 nan 4.420 nan 0.000 0.268 40 P C -2.559 174.473 177.300 -0.447 0.000 1.205 40 P CA -0.742 61.726 63.100 -1.053 0.000 0.771 40 P CB -0.118 30.941 31.700 -1.067 0.000 0.858 41 P HA 0.354 nan 4.420 nan 0.000 0.275 41 P C -0.144 177.075 177.300 -0.135 0.000 1.266 41 P CA 0.070 63.149 63.100 -0.035 0.000 0.793 41 P CB 0.885 32.665 31.700 0.134 0.000 1.074 42 G N -1.074 107.543 108.800 -0.305 0.000 2.495 42 G HA2 0.477 4.438 3.960 0.001 0.000 0.294 42 G HA3 0.477 4.438 3.960 0.001 0.000 0.294 42 G C -3.258 171.083 174.900 -0.932 0.000 1.397 42 G CA -0.941 43.734 45.100 -0.708 0.000 0.790 42 G HN 0.355 nan 8.290 nan 0.000 0.486 43 P HA 0.307 nan 4.420 nan 0.000 0.271 43 P C -2.529 174.731 177.300 -0.067 0.000 1.218 43 P CA -0.868 62.049 63.100 -0.306 0.000 0.780 43 P CB 0.840 32.480 31.700 -0.099 0.000 0.901 44 P HA 0.407 nan 4.420 nan 0.000 0.279 44 P C -0.142 177.214 177.300 0.093 0.000 1.252 44 P CA 0.006 63.144 63.100 0.064 0.000 0.811 44 P CB 1.243 32.992 31.700 0.082 0.000 1.035 45 G N 0.584 109.445 108.800 0.100 0.000 2.788 45 G HA2 0.534 4.495 3.960 0.001 0.000 0.293 45 G HA3 0.534 4.495 3.960 0.001 0.000 0.293 45 G C -0.932 174.043 174.900 0.125 0.000 1.392 45 G CA -1.021 44.166 45.100 0.145 0.000 0.810 45 G HN 0.425 nan 8.290 nan 0.000 0.508 46 L N 1.038 122.341 121.223 0.134 0.000 2.473 46 L HA 0.241 4.581 4.340 0.001 0.000 0.268 46 L C -1.789 175.139 176.870 0.097 0.000 1.215 46 L CA -1.195 53.687 54.840 0.071 0.000 0.823 46 L CB 0.388 42.435 42.059 -0.020 0.000 1.099 46 L HN 0.231 nan 8.230 nan 0.000 0.483 47 P HA 0.012 nan 4.420 nan 0.000 0.268 47 P C 0.133 177.593 177.300 0.266 0.000 1.208 47 P CA -0.022 63.162 63.100 0.141 0.000 0.777 47 P CB 0.410 32.172 31.700 0.102 0.000 0.875 48 F N 1.312 121.319 119.950 0.095 0.000 2.547 48 F HA -0.351 4.177 4.527 0.001 0.000 0.714 48 F C 1.173 177.167 175.800 0.323 0.000 0.486 48 F CA 2.398 60.502 58.000 0.173 0.000 0.738 48 F CB -1.677 37.359 39.000 0.059 0.000 1.612 48 F HN 0.339 nan 8.300 nan 0.000 0.270 49 I N -0.506 120.183 120.570 0.199 0.000 3.603 49 I HA 0.510 4.681 4.170 0.001 0.000 0.297 49 I C 1.663 177.824 176.117 0.072 0.000 1.269 49 I CA 0.850 62.219 61.300 0.116 0.000 1.361 49 I CB -0.618 37.498 38.000 0.194 0.000 1.063 49 I HN 0.956 nan 8.210 nan 0.000 0.448 50 G N 3.088 111.943 108.800 0.092 0.000 2.651 50 G HA2 -0.432 3.529 3.960 0.001 0.000 0.315 50 G HA3 -0.432 3.529 3.960 0.001 0.000 0.315 50 G C 0.340 175.291 174.900 0.085 0.000 1.258 50 G CA 1.005 46.148 45.100 0.073 0.000 1.002 50 G HN 0.574 nan 8.290 nan 0.000 0.551 51 N N 0.695 119.416 118.700 0.036 0.000 2.398 51 N HA 0.279 5.020 4.740 0.001 0.000 0.188 51 N C 2.175 177.633 175.510 -0.087 0.000 1.122 51 N CA 0.524 53.577 53.050 0.004 0.000 0.866 51 N CB 0.044 38.543 38.487 0.020 0.000 0.970 51 N HN 0.518 nan 8.380 nan 0.000 0.462 52 I N 0.049 120.576 120.570 -0.071 0.000 2.264 52 I HA -0.335 3.836 4.170 0.001 0.000 0.248 52 I C 2.031 178.106 176.117 -0.069 0.000 1.111 52 I CA 1.090 62.311 61.300 -0.131 0.000 1.382 52 I CB -0.244 37.723 38.000 -0.054 0.000 1.060 52 I HN 0.248 nan 8.210 nan 0.000 0.418 53 Y N 2.203 122.446 120.300 -0.096 0.000 2.070 53 Y HA -0.332 4.219 4.550 0.001 0.000 0.280 53 Y C 2.863 178.678 175.900 -0.142 0.000 1.148 53 Y CA 1.732 59.785 58.100 -0.079 0.000 1.125 53 Y CB -0.807 37.640 38.460 -0.022 0.000 0.975 53 Y HN 0.218 nan 8.280 nan 0.000 0.492 54 S N 0.552 116.049 115.700 -0.340 0.000 2.370 54 S HA -0.247 4.224 4.470 0.001 0.000 0.226 54 S C 2.204 176.347 174.600 -0.763 0.000 1.033 54 S CA 1.687 59.588 58.200 -0.498 0.000 1.011 54 S CB -1.128 61.964 63.200 -0.181 0.000 0.852 54 S HN 0.505 nan 8.310 nan 0.000 0.457 55 L N 1.460 122.221 121.223 -0.770 0.000 2.012 55 L HA -0.173 4.168 4.340 0.001 0.000 0.210 55 L C 3.093 179.648 176.870 -0.526 0.000 1.073 55 L CA 1.429 55.786 54.840 -0.805 0.000 0.748 55 L CB -0.869 40.841 42.059 -0.582 0.000 0.891 55 L HN 0.441 nan 8.230 nan 0.000 0.431 56 A N -0.220 122.367 122.820 -0.388 0.000 1.858 56 A HA -0.164 4.157 4.320 0.001 0.000 0.216 56 A C 2.374 179.803 177.584 -0.258 0.000 1.190 56 A CA 1.797 53.686 52.037 -0.247 0.000 0.617 56 A CB -0.828 18.101 19.000 -0.118 0.000 0.827 56 A HN 0.414 nan 8.150 nan 0.000 0.443 57 A N -0.761 121.826 122.820 -0.388 0.000 2.167 57 A HA 0.260 4.581 4.320 0.001 0.000 0.214 57 A C 1.502 178.919 177.584 -0.278 0.000 1.151 57 A CA 0.891 52.715 52.037 -0.355 0.000 0.735 57 A CB -0.619 18.004 19.000 -0.628 0.000 0.802 57 A HN 0.501 nan 8.150 nan 0.000 0.467 58 S N -0.118 115.393 115.700 -0.315 0.000 2.549 58 S HA 0.214 4.685 4.470 0.001 0.000 0.279 58 S C 1.177 175.690 174.600 -0.145 0.000 1.321 58 S CA 0.104 58.179 58.200 -0.208 0.000 1.054 58 S CB 0.680 63.727 63.200 -0.255 0.000 0.899 58 S HN 0.396 nan 8.310 nan 0.000 0.497 59 S N 2.985 118.632 115.700 -0.089 0.000 2.522 59 S HA 0.076 4.547 4.470 0.001 0.000 0.227 59 S C 0.422 174.976 174.600 -0.076 0.000 0.986 59 S CA 0.277 58.434 58.200 -0.071 0.000 0.929 59 S CB -0.114 63.058 63.200 -0.047 0.000 0.769 59 S HN 0.697 nan 8.310 nan 0.000 0.529 60 E N 1.106 121.257 120.200 -0.081 0.000 2.283 60 E HA 0.387 4.738 4.350 0.001 0.000 0.271 60 E C -0.113 176.394 176.600 -0.156 0.000 1.031 60 E CA -0.443 55.893 56.400 -0.107 0.000 0.868 60 E CB 0.833 30.489 29.700 -0.072 0.000 1.094 60 E HN 0.206 nan 8.360 nan 0.000 0.401 61 L N 2.882 123.958 121.223 -0.245 0.000 2.473 61 L HA 0.054 4.395 4.340 0.001 0.000 0.268 61 L C -1.295 175.366 176.870 -0.349 0.000 1.215 61 L CA -1.154 53.506 54.840 -0.300 0.000 0.823 61 L CB -0.027 41.804 42.059 -0.381 0.000 1.099 61 L HN 0.317 nan 8.230 nan 0.000 0.483 62 P HA -0.194 nan 4.420 nan 0.000 0.215 62 P C 1.265 178.557 177.300 -0.012 0.000 1.153 62 P CA 1.469 64.536 63.100 -0.055 0.000 0.853 62 P CB -0.162 31.553 31.700 0.025 0.000 0.788 63 H N -1.526 117.507 119.070 -0.062 0.000 2.423 63 H HA 0.013 4.570 4.556 0.001 0.000 0.297 63 H C 1.585 176.799 175.328 -0.190 0.000 1.075 63 H CA 1.000 56.981 56.048 -0.111 0.000 1.342 63 H CB -1.257 28.367 29.762 -0.229 0.000 1.395 63 H HN -0.024 nan 8.280 nan 0.000 0.530 64 V N 1.263 120.750 119.914 -0.713 0.000 2.283 64 V HA -0.252 3.869 4.120 0.001 0.000 0.243 64 V C 2.542 178.569 176.094 -0.111 0.000 1.039 64 V CA 1.699 63.755 62.300 -0.407 0.000 1.016 64 V CB -1.165 30.367 31.823 -0.485 0.000 0.650 64 V HN 0.323 nan 8.190 nan 0.000 0.449 65 Y N 0.721 120.902 120.300 -0.199 0.000 2.096 65 Y HA -0.365 4.186 4.550 0.002 0.000 0.278 65 Y C 2.442 178.332 175.900 -0.017 0.000 1.192 65 Y CA 2.332 60.370 58.100 -0.104 0.000 1.143 65 Y CB -0.355 38.035 38.460 -0.116 0.000 0.963 65 Y HN 0.171 nan 8.280 nan 0.000 0.505 66 M N -0.651 118.959 119.600 0.017 0.000 2.229 66 M HA -0.155 4.325 4.480 0.001 0.000 0.264 66 M C 2.442 178.806 176.300 0.106 0.000 1.063 66 M CA 1.633 57.005 55.300 0.121 0.000 1.114 66 M CB -0.230 32.529 32.600 0.264 0.000 1.387 66 M HN 0.187 nan 8.290 nan 0.000 0.420 67 R N 0.668 121.223 120.500 0.093 0.000 2.075 67 R HA -0.118 4.223 4.340 0.001 0.000 0.232 67 R C 1.953 178.242 176.300 -0.018 0.000 1.126 67 R CA 1.420 57.586 56.100 0.110 0.000 0.963 67 R CB 0.040 30.473 30.300 0.222 0.000 0.858 67 R HN 0.263 nan 8.270 nan 0.000 0.435 68 K N -0.019 120.325 120.400 -0.093 0.000 2.063 68 K HA -0.160 4.161 4.320 0.001 0.000 0.208 68 K C 2.155 178.603 176.600 -0.254 0.000 1.048 68 K CA 1.377 57.574 56.287 -0.151 0.000 0.928 68 K CB -0.010 32.397 32.500 -0.155 0.000 0.713 68 K HN 0.214 nan 8.250 nan 0.000 0.442 69 Q N 0.190 119.728 119.800 -0.437 0.000 2.291 69 Q HA -0.094 4.247 4.340 0.001 0.000 0.205 69 Q C 2.159 177.785 176.000 -0.623 0.000 0.970 69 Q CA 1.556 57.004 55.803 -0.591 0.000 0.876 69 Q CB -0.104 28.039 28.738 -0.992 0.000 0.935 69 Q HN 0.387 nan 8.270 nan 0.000 0.455 70 S N 0.048 115.485 115.700 -0.438 0.000 2.406 70 S HA -0.142 4.329 4.470 0.001 0.000 0.228 70 S C 1.851 176.392 174.600 -0.098 0.000 1.020 70 S CA 0.646 58.744 58.200 -0.170 0.000 0.965 70 S CB -0.167 63.101 63.200 0.114 0.000 0.798 70 S HN 0.318 nan 8.310 nan 0.000 0.488 71 Q N 0.542 120.277 119.800 -0.108 0.000 2.181 71 Q HA -0.040 4.301 4.340 0.001 0.000 0.205 71 Q C 2.149 178.063 176.000 -0.142 0.000 0.980 71 Q CA 1.697 57.446 55.803 -0.090 0.000 0.862 71 Q CB -0.337 28.356 28.738 -0.074 0.000 0.905 71 Q HN 0.552 nan 8.270 nan 0.000 0.429 72 V N -1.354 118.425 119.914 -0.225 0.000 2.500 72 V HA -0.129 3.992 4.120 0.001 0.000 0.243 72 V C 1.016 176.806 176.094 -0.505 0.000 1.039 72 V CA 1.339 63.410 62.300 -0.381 0.000 1.053 72 V CB -0.195 31.329 31.823 -0.498 0.000 0.695 72 V HN 0.315 nan 8.190 nan 0.000 0.463 73 Y N 0.285 120.450 120.300 -0.224 0.000 2.442 73 Y HA 0.565 5.116 4.550 0.001 0.000 0.250 73 Y C 1.231 177.101 175.900 -0.049 0.000 1.113 73 Y CA 0.572 58.580 58.100 -0.153 0.000 1.273 73 Y CB 0.837 39.155 38.460 -0.237 0.000 1.138 73 Y HN 0.345 nan 8.280 nan 0.000 0.522 74 G N 0.370 109.216 108.800 0.076 0.000 2.479 74 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 74 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 74 G C -0.039 174.960 174.900 0.164 0.000 1.295 74 G CA -0.466 44.702 45.100 0.114 0.000 0.922 74 G HN 0.163 nan 8.290 nan 0.000 0.582 75 E N -0.940 119.339 120.200 0.132 0.000 2.153 75 E HA -0.026 4.324 4.350 0.001 0.000 0.194 75 E C 1.423 178.090 176.600 0.113 0.000 0.988 75 E CA 1.287 57.757 56.400 0.117 0.000 0.811 75 E CB 0.397 30.137 29.700 0.066 0.000 0.746 75 E HN 0.513 nan 8.360 nan 0.000 0.466 76 I N 0.991 121.621 120.570 0.100 0.000 2.390 76 I HA 0.276 4.447 4.170 0.001 0.000 0.283 76 I C -1.020 175.075 176.117 -0.037 0.000 1.016 76 I CA -0.929 60.360 61.300 -0.019 0.000 1.151 76 I CB 0.289 38.263 38.000 -0.042 0.000 1.293 76 I HN -0.139 nan 8.210 nan 0.000 0.458 77 F N 5.102 124.923 119.950 -0.215 0.000 2.664 77 F HA 0.856 5.384 4.527 0.001 0.000 0.329 77 F C -0.741 174.879 175.800 -0.300 0.000 1.090 77 F CA -0.774 57.061 58.000 -0.276 0.000 0.978 77 F CB 1.144 40.035 39.000 -0.181 0.000 1.378 77 F HN 0.356 nan 8.300 nan 0.000 0.495 78 S N 1.040 116.625 115.700 -0.192 0.000 2.600 78 S HA 0.869 5.339 4.470 0.001 0.000 0.300 78 S C -1.440 173.134 174.600 -0.042 0.000 1.087 78 S CA -0.741 57.323 58.200 -0.226 0.000 0.965 78 S CB 1.848 64.954 63.200 -0.156 0.000 1.089 78 S HN 0.847 nan 8.310 nan 0.000 0.496 79 L N 0.968 122.166 121.223 -0.042 0.000 2.388 79 L HA 0.543 4.884 4.340 0.001 0.000 0.264 79 L C -1.448 175.439 176.870 0.030 0.000 0.998 79 L CA -0.754 54.097 54.840 0.018 0.000 0.817 79 L CB 2.296 44.354 42.059 -0.002 0.000 1.338 79 L HN 0.734 nan 8.230 nan 0.000 0.414 80 D N 2.326 122.743 120.400 0.029 0.000 2.427 80 D HA 0.388 5.029 4.640 0.001 0.000 0.226 80 D C -0.807 175.485 176.300 -0.014 0.000 1.076 80 D CA -0.119 53.888 54.000 0.012 0.000 0.849 80 D CB 0.865 41.676 40.800 0.017 0.000 1.052 80 D HN 0.272 nan 8.370 nan 0.000 0.515 81 L N 4.016 125.221 121.223 -0.029 0.000 2.352 81 L HA 0.382 4.722 4.340 0.001 0.000 0.272 81 L C 1.378 178.170 176.870 -0.129 0.000 1.109 81 L CA -0.676 54.140 54.840 -0.040 0.000 0.952 81 L CB 0.766 42.860 42.059 0.059 0.000 1.314 81 L HN 0.758 nan 8.230 nan 0.000 0.427 82 G N 1.746 110.447 108.800 -0.165 0.000 2.258 82 G HA2 -0.216 3.744 3.960 0.001 0.000 0.274 82 G HA3 -0.216 3.744 3.960 0.001 0.000 0.274 82 G C 0.945 175.659 174.900 -0.311 0.000 1.021 82 G CA 0.607 45.507 45.100 -0.333 0.000 0.798 82 G HN 1.103 nan 8.290 nan 0.000 0.507 83 G N -1.721 106.994 108.800 -0.142 0.000 2.213 83 G HA2 -0.200 3.761 3.960 0.001 0.000 0.226 83 G HA3 -0.200 3.761 3.960 0.001 0.000 0.226 83 G C 0.362 175.203 174.900 -0.097 0.000 0.992 83 G CA 0.121 45.167 45.100 -0.089 0.000 0.632 83 G HN 1.275 nan 8.290 nan 0.000 0.511 84 I N 3.095 123.592 120.570 -0.122 0.000 2.337 84 I HA 0.402 4.573 4.170 0.001 0.000 0.291 84 I C 1.077 177.171 176.117 -0.038 0.000 1.046 84 I CA 0.037 61.288 61.300 -0.081 0.000 1.324 84 I CB 1.450 39.398 38.000 -0.087 0.000 1.409 84 I HN 0.316 nan 8.210 nan 0.000 0.494 85 S N 4.311 119.999 115.700 -0.021 0.000 2.499 85 S HA 0.489 4.960 4.470 0.001 0.000 0.275 85 S C 0.041 174.691 174.600 0.083 0.000 1.257 85 S CA -0.607 57.619 58.200 0.043 0.000 1.050 85 S CB 0.821 64.015 63.200 -0.010 0.000 0.937 85 S HN 0.723 nan 8.310 nan 0.000 0.490 86 T N 0.039 114.633 114.554 0.066 0.000 2.893 86 T HA 0.663 5.013 4.350 0.001 0.000 0.291 86 T C -0.777 173.866 174.700 -0.096 0.000 1.028 86 T CA -0.789 61.296 62.100 -0.025 0.000 0.995 86 T CB 1.318 70.129 68.868 -0.096 0.000 1.051 86 T HN 0.554 nan 8.240 nan 0.000 0.470 87 V N 2.994 122.806 119.914 -0.171 0.000 2.495 87 V HA 0.546 4.667 4.120 0.001 0.000 0.298 87 V C -0.171 175.697 176.094 -0.377 0.000 1.031 87 V CA -0.738 61.376 62.300 -0.310 0.000 0.871 87 V CB 1.817 33.477 31.823 -0.271 0.000 0.988 87 V HN 0.932 nan 8.190 nan 0.000 0.432 88 V N 6.414 125.967 119.914 -0.601 0.000 2.481 88 V HA 0.476 4.597 4.120 0.001 0.000 0.286 88 V C -0.115 175.712 176.094 -0.446 0.000 1.042 88 V CA -0.526 61.412 62.300 -0.605 0.000 0.928 88 V CB 1.560 32.799 31.823 -0.972 0.000 0.986 88 V HN 0.596 nan 8.190 nan 0.000 0.462 89 L N 5.298 126.355 121.223 -0.277 0.000 2.307 89 L HA 0.611 4.952 4.340 0.001 0.000 0.284 89 L C -0.202 176.605 176.870 -0.105 0.000 1.023 89 L CA -0.365 54.356 54.840 -0.197 0.000 0.810 89 L CB 1.258 43.172 42.059 -0.241 0.000 1.231 89 L HN 0.646 nan 8.230 nan 0.000 0.423 90 N N 2.373 121.052 118.700 -0.036 0.000 2.249 90 N HA 0.608 5.349 4.740 0.001 0.000 0.296 90 N C -0.261 175.271 175.510 0.036 0.000 1.051 90 N CA -0.285 52.788 53.050 0.038 0.000 0.815 90 N CB 2.718 41.285 38.487 0.134 0.000 1.487 90 N HN 0.802 nan 8.380 nan 0.000 0.475 91 G N 0.683 109.515 108.800 0.054 0.000 2.733 91 G HA2 -0.319 3.642 3.960 0.001 0.000 0.686 91 G HA3 -0.319 3.642 3.960 0.001 0.000 0.686 91 G C 0.104 175.044 174.900 0.066 0.000 1.373 91 G CA -0.318 44.841 45.100 0.099 0.000 0.838 91 G HN 0.626 nan 8.290 nan 0.000 0.588 92 Y N 0.747 121.028 120.300 -0.031 0.000 2.181 92 Y HA -0.105 4.446 4.550 0.001 0.000 0.288 92 Y C 2.511 178.322 175.900 -0.148 0.000 1.146 92 Y CA 2.750 60.753 58.100 -0.161 0.000 1.164 92 Y CB -0.040 38.152 38.460 -0.446 0.000 0.982 92 Y HN 0.601 nan 8.280 nan 0.000 0.515 93 D N -0.477 119.849 120.400 -0.122 0.000 2.084 93 D HA -0.173 4.468 4.640 0.001 0.000 0.194 93 D C 2.392 178.516 176.300 -0.294 0.000 0.990 93 D CA 2.264 56.144 54.000 -0.199 0.000 0.826 93 D CB -0.728 40.086 40.800 0.022 0.000 0.971 93 D HN 0.416 nan 8.370 nan 0.000 0.453 94 V N -1.045 118.744 119.914 -0.207 0.000 2.591 94 V HA -0.096 4.025 4.120 0.001 0.000 0.249 94 V C 2.401 178.287 176.094 -0.348 0.000 1.053 94 V CA 0.777 62.931 62.300 -0.245 0.000 1.068 94 V CB -0.794 30.935 31.823 -0.157 0.000 0.689 94 V HN -0.023 nan 8.190 nan 0.000 0.462 95 V N 0.673 120.388 119.914 -0.330 0.000 2.343 95 V HA -0.268 3.853 4.120 0.001 0.000 0.247 95 V C 2.717 178.548 176.094 -0.439 0.000 1.051 95 V CA 2.754 64.840 62.300 -0.356 0.000 1.036 95 V CB -0.781 30.888 31.823 -0.256 0.000 0.654 95 V HN 0.663 nan 8.190 nan 0.000 0.451 96 K N -0.053 120.015 120.400 -0.553 0.000 2.057 96 K HA -0.211 4.110 4.320 0.001 0.000 0.206 96 K C 2.183 178.397 176.600 -0.645 0.000 1.050 96 K CA 1.710 57.650 56.287 -0.578 0.000 0.935 96 K CB -0.142 31.895 32.500 -0.773 0.000 0.715 96 K HN 0.490 nan 8.250 nan 0.000 0.439 97 E N -0.258 119.505 120.200 -0.729 0.000 2.118 97 E HA -0.219 4.132 4.350 0.001 0.000 0.195 97 E C 1.819 178.117 176.600 -0.504 0.000 0.992 97 E CA 1.557 57.476 56.400 -0.802 0.000 0.804 97 E CB 0.058 29.478 29.700 -0.467 0.000 0.741 97 E HN 0.423 nan 8.360 nan 0.000 0.458 98 C N -0.399 118.568 119.300 -0.554 0.000 2.631 98 C HA 0.047 4.507 4.460 0.001 0.000 0.283 98 C C 2.456 177.148 174.990 -0.497 0.000 1.295 98 C CA 0.061 58.609 59.018 -0.783 0.000 1.697 98 C CB -0.830 26.073 27.740 -1.395 0.000 2.128 98 C HN 0.418 nan 8.230 nan 0.000 0.503 99 L N 0.718 121.678 121.223 -0.440 0.000 2.275 99 L HA -0.062 4.279 4.340 0.001 0.000 0.215 99 L C 2.104 178.918 176.870 -0.094 0.000 1.119 99 L CA 1.044 55.742 54.840 -0.235 0.000 0.790 99 L CB -0.451 41.457 42.059 -0.251 0.000 0.919 99 L HN 0.307 nan 8.230 nan 0.000 0.443 100 V N -1.915 117.937 119.914 -0.103 0.000 2.743 100 V HA -0.083 4.038 4.120 0.001 0.000 0.237 100 V C 2.100 178.275 176.094 0.134 0.000 1.113 100 V CA 0.553 62.870 62.300 0.029 0.000 1.141 100 V CB -0.462 31.393 31.823 0.053 0.000 0.873 100 V HN 0.345 nan 8.190 nan 0.000 0.486 101 H N 0.600 119.635 119.070 -0.059 0.000 2.389 101 H HA -0.007 4.550 4.556 0.001 0.000 0.299 101 H C 0.984 176.319 175.328 0.011 0.000 1.081 101 H CA 1.049 57.082 56.048 -0.026 0.000 1.345 101 H CB 0.283 30.021 29.762 -0.039 0.000 1.393 101 H HN 0.431 nan 8.280 nan 0.000 0.520 102 Q N 1.434 121.326 119.800 0.153 0.000 2.465 102 Q HA 0.085 4.426 4.340 0.001 0.000 0.361 102 Q C 1.240 177.345 176.000 0.175 0.000 0.957 102 Q CA -0.109 55.801 55.803 0.179 0.000 1.065 102 Q CB 0.947 29.865 28.738 0.300 0.000 1.274 102 Q HN 0.386 nan 8.270 nan 0.000 0.421 103 S N 0.445 116.205 115.700 0.100 0.000 2.374 103 S HA -0.226 4.245 4.470 0.001 0.000 0.227 103 S C 1.543 176.124 174.600 -0.032 0.000 1.037 103 S CA 1.183 59.418 58.200 0.057 0.000 1.024 103 S CB 0.024 63.264 63.200 0.067 0.000 0.861 103 S HN 0.378 nan 8.310 nan 0.000 0.456 104 E N 1.402 121.575 120.200 -0.045 0.000 2.152 104 E HA 0.085 4.436 4.350 0.001 0.000 0.192 104 E C 2.150 178.602 176.600 -0.248 0.000 0.983 104 E CA 0.804 57.093 56.400 -0.185 0.000 0.818 104 E CB -0.484 29.218 29.700 0.004 0.000 0.758 104 E HN 0.651 nan 8.360 nan 0.000 0.467 105 I N -0.215 120.281 120.570 -0.123 0.000 2.394 105 I HA -0.183 3.988 4.170 0.001 0.000 0.251 105 I C 1.211 177.071 176.117 -0.430 0.000 1.136 105 I CA 0.973 62.125 61.300 -0.247 0.000 1.425 105 I CB -0.071 37.791 38.000 -0.231 0.000 1.079 105 I HN -0.079 nan 8.210 nan 0.000 0.425 106 F N 0.017 119.877 119.950 -0.149 0.000 2.684 106 F HA 0.378 4.905 4.527 0.001 0.000 0.298 106 F C 1.737 177.497 175.800 -0.067 0.000 1.120 106 F CA -0.165 57.771 58.000 -0.106 0.000 1.332 106 F CB 0.029 38.952 39.000 -0.128 0.000 0.986 106 F HN -0.112 nan 8.300 nan 0.000 0.524 107 A N -1.314 121.383 122.820 -0.206 0.000 2.275 107 A HA 0.050 4.371 4.320 0.001 0.000 0.212 107 A C 0.868 178.226 177.584 -0.377 0.000 1.201 107 A CA 0.198 51.989 52.037 -0.410 0.000 0.843 107 A CB -0.247 18.072 19.000 -1.136 0.000 0.873 107 A HN 0.143 nan 8.150 nan 0.000 0.492 108 D N -0.013 120.261 120.400 -0.210 0.000 2.432 108 D HA 0.371 5.011 4.640 0.001 0.000 0.258 108 D C -0.042 176.197 176.300 -0.101 0.000 1.146 108 D CA -0.210 53.716 54.000 -0.122 0.000 1.015 108 D CB 0.685 41.450 40.800 -0.059 0.000 1.107 108 D HN 0.009 nan 8.370 nan 0.000 0.529 109 R N 0.767 121.230 120.500 -0.062 0.000 2.711 109 R HA 0.474 4.815 4.340 0.001 0.000 0.284 109 R C -2.214 174.127 176.300 0.068 0.000 0.968 109 R CA -1.783 54.306 56.100 -0.019 0.000 0.924 109 R CB 1.410 31.675 30.300 -0.059 0.000 1.162 109 R HN 0.356 nan 8.270 nan 0.000 0.465 110 P HA 0.190 nan 4.420 nan 0.000 0.278 110 P C -0.275 177.129 177.300 0.173 0.000 1.238 110 P CA -0.392 62.802 63.100 0.158 0.000 0.794 110 P CB 0.743 32.569 31.700 0.209 0.000 0.955 111 C N 3.690 123.044 119.300 0.091 0.000 2.865 111 C HA 0.276 4.737 4.460 0.001 0.000 0.545 111 C C 1.038 176.033 174.990 0.008 0.000 1.154 111 C CA -0.404 58.653 59.018 0.064 0.000 1.375 111 C CB -2.455 25.304 27.740 0.031 0.000 1.627 111 C HN 0.403 nan 8.230 nan 0.000 0.623 112 L N 2.505 123.710 121.223 -0.030 0.000 2.397 112 L HA 0.193 4.534 4.340 0.001 0.000 0.271 112 L C -1.073 175.701 176.870 -0.160 0.000 1.148 112 L CA -1.293 53.430 54.840 -0.195 0.000 0.825 112 L CB 0.521 42.297 42.059 -0.472 0.000 1.117 112 L HN 0.137 nan 8.230 nan 0.000 0.456 113 P HA -0.254 nan 4.420 nan 0.000 0.218 113 P C 1.576 178.930 177.300 0.090 0.000 1.154 113 P CA 1.134 64.207 63.100 -0.046 0.000 0.872 113 P CB 0.181 31.779 31.700 -0.170 0.000 0.790 114 L N -1.353 119.906 121.223 0.060 0.000 2.017 114 L HA -0.130 4.211 4.340 0.001 0.000 0.208 114 L C 2.244 179.182 176.870 0.113 0.000 1.073 114 L CA 1.822 56.719 54.840 0.095 0.000 0.745 114 L CB -1.338 40.670 42.059 -0.084 0.000 0.894 114 L HN -0.077 nan 8.230 nan 0.000 0.432 115 F N -1.609 118.343 119.950 0.005 0.000 2.293 115 F HA -0.174 4.354 4.527 0.001 0.000 0.300 115 F C 2.297 178.054 175.800 -0.071 0.000 1.086 115 F CA 0.545 58.514 58.000 -0.051 0.000 1.375 115 F CB -0.306 38.658 39.000 -0.061 0.000 1.045 115 F HN 0.113 nan 8.300 nan 0.000 0.516 116 M N 0.248 119.914 119.600 0.110 0.000 2.200 116 M HA -0.176 4.304 4.480 0.001 0.000 0.265 116 M C 2.256 178.553 176.300 -0.006 0.000 1.066 116 M CA 1.553 56.873 55.300 0.035 0.000 1.127 116 M CB -0.221 32.391 32.600 0.021 0.000 1.379 116 M HN -0.043 nan 8.290 nan 0.000 0.420 117 K N 0.055 120.456 120.400 0.002 0.000 2.057 117 K HA -0.118 4.203 4.320 0.001 0.000 0.206 117 K C 1.959 178.515 176.600 -0.073 0.000 1.050 117 K CA 1.124 57.376 56.287 -0.059 0.000 0.935 117 K CB 0.174 32.604 32.500 -0.116 0.000 0.715 117 K HN 0.196 nan 8.250 nan 0.000 0.439 118 M N 0.261 119.840 119.600 -0.034 0.000 2.098 118 M HA -0.081 4.400 4.480 0.001 0.000 0.262 118 M C 1.998 178.087 176.300 -0.351 0.000 1.072 118 M CA 1.982 57.239 55.300 -0.071 0.000 1.133 118 M CB -0.727 31.889 32.600 0.027 0.000 1.344 118 M HN 0.296 nan 8.290 nan 0.000 0.414 119 T N -4.356 109.914 114.554 -0.473 0.000 3.058 119 T HA 0.273 4.624 4.350 0.001 0.000 0.278 119 T C 0.487 174.890 174.700 -0.495 0.000 0.974 119 T CA -0.300 61.176 62.100 -1.038 0.000 0.893 119 T CB 0.244 68.609 68.868 -0.838 0.000 1.138 119 T HN 0.363 nan 8.240 nan 0.000 0.529 120 K N 2.437 122.715 120.400 -0.203 0.000 3.020 120 K HA -0.190 4.131 4.320 0.001 0.000 0.266 120 K C 0.128 176.705 176.600 -0.040 0.000 1.067 120 K CA 0.626 56.877 56.287 -0.060 0.000 0.780 120 K CB -1.602 30.905 32.500 0.012 0.000 1.220 120 K HN 0.408 nan 8.250 nan 0.000 0.483 121 M N -3.175 116.385 119.600 -0.067 0.000 2.503 121 M HA -0.203 4.278 4.480 0.001 0.000 0.199 121 M C 0.669 176.953 176.300 -0.026 0.000 0.466 121 M CA 1.704 56.982 55.300 -0.037 0.000 0.510 121 M CB -2.845 29.761 32.600 0.010 0.000 1.858 121 M HN 0.510 nan 8.290 nan 0.000 0.799 122 G N -1.165 107.607 108.800 -0.046 0.000 2.890 122 G HA2 0.806 4.767 3.960 0.001 0.000 0.189 122 G HA3 0.806 4.767 3.960 0.001 0.000 0.189 122 G C 0.753 175.628 174.900 -0.041 0.000 1.342 122 G CA 0.455 45.550 45.100 -0.008 0.000 1.026 122 G HN 1.160 nan 8.290 nan 0.000 0.579 123 G N -1.138 107.627 108.800 -0.058 0.000 2.550 123 G HA2 -0.001 3.959 3.960 0.001 0.000 0.277 123 G HA3 -0.001 3.959 3.960 0.001 0.000 0.277 123 G C 0.610 175.402 174.900 -0.180 0.000 1.190 123 G CA 1.127 46.185 45.100 -0.069 0.000 0.971 123 G HN 1.725 nan 8.290 nan 0.000 0.559 124 L N -1.487 119.755 121.223 0.031 0.000 2.920 124 L HA 0.584 4.925 4.340 0.001 0.000 0.168 124 L C 2.407 179.385 176.870 0.180 0.000 1.141 124 L CA 1.660 56.583 54.840 0.138 0.000 0.859 124 L CB -0.777 41.374 42.059 0.155 0.000 1.398 124 L HN 0.831 nan 8.230 nan 0.000 0.517 125 L N 0.434 121.706 121.223 0.081 0.000 2.012 125 L HA -0.114 4.227 4.340 0.001 0.000 0.210 125 L C 1.097 177.923 176.870 -0.074 0.000 1.073 125 L CA 1.799 56.647 54.840 0.014 0.000 0.748 125 L CB -0.205 41.828 42.059 -0.043 0.000 0.891 125 L HN 0.423 nan 8.230 nan 0.000 0.431 126 N N -0.482 118.142 118.700 -0.127 0.000 2.238 126 N HA 0.063 4.804 4.740 0.001 0.000 0.222 126 N C -0.066 175.384 175.510 -0.100 0.000 1.133 126 N CA 0.085 53.007 53.050 -0.214 0.000 0.854 126 N CB 0.275 38.516 38.487 -0.410 0.000 1.041 126 N HN 0.185 nan 8.380 nan 0.000 0.510 127 S N 1.023 116.716 115.700 -0.011 0.000 2.560 127 S HA 0.117 4.588 4.470 0.001 0.000 0.284 127 S C 0.584 175.198 174.600 0.023 0.000 1.327 127 S CA -0.417 57.807 58.200 0.039 0.000 1.055 127 S CB 0.564 63.864 63.200 0.167 0.000 0.868 127 S HN 0.089 nan 8.310 nan 0.000 0.506 128 R N 2.112 122.632 120.500 0.033 0.000 2.784 128 R HA 0.022 4.363 4.340 0.001 0.000 0.266 128 R C -0.402 175.934 176.300 0.060 0.000 1.044 128 R CA -0.026 56.096 56.100 0.037 0.000 1.151 128 R CB -0.160 30.167 30.300 0.046 0.000 1.037 128 R HN 0.755 nan 8.270 nan 0.000 0.478 129 Y N 0.864 121.090 120.300 -0.123 0.000 2.587 129 Y HA 0.318 4.869 4.550 0.001 0.000 0.344 129 Y C 0.579 176.485 175.900 0.009 0.000 1.061 129 Y CA 1.282 59.278 58.100 -0.172 0.000 1.370 129 Y CB 0.062 38.378 38.460 -0.240 0.000 1.163 129 Y HN 0.756 nan 8.280 nan 0.000 0.527 130 G N 5.067 113.733 108.800 -0.224 0.000 2.348 130 G HA2 0.051 4.012 3.960 0.001 0.000 0.296 130 G HA3 0.051 4.012 3.960 0.001 0.000 0.296 130 G C -0.170 174.709 174.900 -0.034 0.000 1.258 130 G CA -0.443 44.564 45.100 -0.155 0.000 0.868 130 G HN 0.544 nan 8.290 nan 0.000 0.488 131 R N -0.401 120.087 120.500 -0.020 0.000 2.096 131 R HA 0.004 4.345 4.340 0.001 0.000 0.235 131 R C 2.414 178.714 176.300 0.001 0.000 1.127 131 R CA 2.709 58.803 56.100 -0.012 0.000 0.968 131 R CB -0.848 29.442 30.300 -0.016 0.000 0.861 131 R HN 0.630 nan 8.270 nan 0.000 0.440 132 G N 0.066 108.889 108.800 0.039 0.000 2.446 132 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 132 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 132 G C 1.165 176.179 174.900 0.191 0.000 1.168 132 G CA 0.742 45.892 45.100 0.082 0.000 0.771 132 G HN 0.622 nan 8.290 nan 0.000 0.551 133 W N 1.059 122.357 121.300 -0.003 0.000 2.381 133 W HA -0.049 4.612 4.660 0.001 0.000 0.301 133 W C 2.406 178.945 176.519 0.034 0.000 1.205 133 W CA 1.604 58.962 57.345 0.023 0.000 1.285 133 W CB -0.294 29.164 29.460 -0.004 0.000 1.133 133 W HN 0.032 nan 8.180 nan 0.000 0.521 134 V N 1.300 121.181 119.914 -0.055 0.000 2.332 134 V HA -0.332 3.789 4.120 0.001 0.000 0.248 134 V C 2.077 178.011 176.094 -0.266 0.000 1.055 134 V CA 2.423 64.553 62.300 -0.283 0.000 1.038 134 V CB -0.962 30.820 31.823 -0.069 0.000 0.651 134 V HN 0.096 nan 8.190 nan 0.000 0.450 135 D N -0.960 119.333 120.400 -0.178 0.000 2.117 135 D HA -0.144 4.497 4.640 0.001 0.000 0.197 135 D C 2.109 178.267 176.300 -0.237 0.000 0.987 135 D CA 1.588 55.449 54.000 -0.231 0.000 0.829 135 D CB -0.231 40.248 40.800 -0.535 0.000 0.961 135 D HN 0.586 nan 8.370 nan 0.000 0.460 136 H N -0.206 118.744 119.070 -0.201 0.000 2.372 136 H HA 0.070 4.627 4.556 0.001 0.000 0.301 136 H C 2.055 177.355 175.328 -0.046 0.000 1.065 136 H CA 1.147 57.194 56.048 -0.002 0.000 1.364 136 H CB 0.082 29.878 29.762 0.057 0.000 1.406 136 H HN -0.083 nan 8.280 nan 0.000 0.521 137 R N 1.252 121.608 120.500 -0.240 0.000 2.097 137 R HA -0.185 4.156 4.340 0.001 0.000 0.236 137 R C 2.385 178.571 176.300 -0.190 0.000 1.135 137 R CA 1.976 57.849 56.100 -0.378 0.000 0.934 137 R CB -0.212 29.483 30.300 -1.008 0.000 0.846 137 R HN 0.245 nan 8.270 nan 0.000 0.431 138 R N -0.074 120.304 120.500 -0.204 0.000 2.112 138 R HA -0.194 4.147 4.340 0.001 0.000 0.242 138 R C 2.207 178.521 176.300 0.022 0.000 1.137 138 R CA 2.115 58.163 56.100 -0.085 0.000 0.944 138 R CB -0.832 29.421 30.300 -0.078 0.000 0.857 138 R HN 0.366 nan 8.270 nan 0.000 0.435 139 L N 0.437 121.714 121.223 0.090 0.000 2.042 139 L HA -0.092 4.249 4.340 0.001 0.000 0.210 139 L C 2.304 179.392 176.870 0.363 0.000 1.076 139 L CA 2.247 57.207 54.840 0.199 0.000 0.749 139 L CB -0.712 41.495 42.059 0.247 0.000 0.893 139 L HN 0.394 nan 8.230 nan 0.000 0.432 140 A N -1.360 121.676 122.820 0.359 0.000 1.855 140 A HA -0.119 4.202 4.320 0.001 0.000 0.215 140 A C 2.237 179.993 177.584 0.286 0.000 1.191 140 A CA 1.824 54.061 52.037 0.333 0.000 0.613 140 A CB -1.104 17.964 19.000 0.112 0.000 0.829 140 A HN 0.264 nan 8.150 nan 0.000 0.442 141 V N 1.348 121.328 119.914 0.109 0.000 2.231 141 V HA -0.335 3.786 4.120 0.001 0.000 0.248 141 V C 2.343 178.507 176.094 0.117 0.000 1.054 141 V CA 2.355 64.701 62.300 0.075 0.000 1.015 141 V CB -1.086 30.746 31.823 0.014 0.000 0.638 141 V HN 0.576 nan 8.190 nan 0.000 0.444 142 N N 0.101 118.856 118.700 0.091 0.000 2.149 142 N HA -0.135 4.606 4.740 0.001 0.000 0.188 142 N C 2.054 177.602 175.510 0.063 0.000 1.019 142 N CA 1.785 54.860 53.050 0.041 0.000 0.857 142 N CB -0.463 38.022 38.487 -0.003 0.000 0.997 142 N HN 0.429 nan 8.380 nan 0.000 0.426 143 S N 0.251 116.084 115.700 0.221 0.000 2.383 143 S HA 0.040 4.511 4.470 0.001 0.000 0.227 143 S C 1.652 176.364 174.600 0.187 0.000 1.026 143 S CA 0.522 58.932 58.200 0.350 0.000 0.981 143 S CB -0.231 63.366 63.200 0.661 0.000 0.818 143 S HN 0.223 nan 8.310 nan 0.000 0.472 144 F N 1.642 121.582 119.950 -0.016 0.000 2.186 144 F HA 0.068 4.596 4.527 0.001 0.000 0.299 144 F C 2.457 177.862 175.800 -0.658 0.000 1.090 144 F CA 0.833 58.714 58.000 -0.198 0.000 1.307 144 F CB -0.261 38.696 39.000 -0.072 0.000 1.019 144 F HN 0.042 nan 8.300 nan 0.000 0.489 145 R N -1.116 119.114 120.500 -0.450 0.000 2.070 145 R HA -0.224 4.117 4.340 0.001 0.000 0.233 145 R C 2.262 178.259 176.300 -0.505 0.000 1.137 145 R CA 1.829 57.512 56.100 -0.696 0.000 0.945 145 R CB -0.728 29.416 30.300 -0.260 0.000 0.845 145 R HN 0.312 nan 8.270 nan 0.000 0.430 146 Y N -0.498 119.519 120.300 -0.471 0.000 2.220 146 Y HA -0.086 4.465 4.550 0.001 0.000 0.291 146 Y C 1.199 176.729 175.900 -0.617 0.000 1.129 146 Y CA 1.546 59.310 58.100 -0.560 0.000 1.161 146 Y CB 0.085 38.115 38.460 -0.716 0.000 0.997 146 Y HN 0.018 nan 8.280 nan 0.000 0.522 147 F N -0.690 119.171 119.950 -0.148 0.000 2.765 147 F HA 0.285 4.813 4.527 0.001 0.000 0.302 147 F C 1.500 177.048 175.800 -0.421 0.000 1.111 147 F CA 0.248 58.124 58.000 -0.206 0.000 1.359 147 F CB 0.186 39.142 39.000 -0.073 0.000 1.097 147 F HN 0.070 nan 8.300 nan 0.000 0.577 148 G N -0.476 107.971 108.800 -0.588 0.000 3.054 148 G HA2 0.041 4.001 3.960 0.001 0.000 0.201 148 G HA3 0.041 4.001 3.960 0.001 0.000 0.201 148 G C 0.421 174.513 174.900 -1.346 0.000 1.694 148 G CA -0.042 44.267 45.100 -1.319 0.000 0.742 148 G HN 0.239 nan 8.290 nan 0.000 0.790 149 Y N 0.923 120.740 120.300 -0.806 0.000 2.616 149 Y HA 0.263 4.813 4.550 0.001 0.000 0.296 149 Y C 2.227 178.040 175.900 -0.145 0.000 1.154 149 Y CA 0.310 58.234 58.100 -0.294 0.000 1.325 149 Y CB -0.731 37.716 38.460 -0.021 0.000 1.007 149 Y HN 0.239 nan 8.280 nan 0.000 0.542 150 G N 0.085 108.697 108.800 -0.313 0.000 2.598 150 G HA2 -0.034 3.927 3.960 0.001 0.000 0.215 150 G HA3 -0.034 3.927 3.960 0.001 0.000 0.215 150 G C 0.429 175.234 174.900 -0.159 0.000 1.131 150 G CA -0.153 44.832 45.100 -0.192 0.000 0.785 150 G HN 0.440 nan 8.290 nan 0.000 0.539 151 Q N -0.439 119.268 119.800 -0.155 0.000 2.256 151 Q HA 0.361 4.701 4.340 0.001 0.000 0.257 151 Q C 0.434 176.465 176.000 0.053 0.000 0.936 151 Q CA -0.543 55.209 55.803 -0.085 0.000 0.903 151 Q CB 2.068 30.745 28.738 -0.102 0.000 1.263 151 Q HN 0.064 nan 8.270 nan 0.000 0.440 152 K N 0.424 120.848 120.400 0.041 0.000 2.147 152 K HA -0.151 4.169 4.320 0.001 0.000 0.205 152 K C 1.834 178.494 176.600 0.101 0.000 1.049 152 K CA 1.737 58.070 56.287 0.076 0.000 0.936 152 K CB 0.099 32.627 32.500 0.048 0.000 0.722 152 K HN 0.593 nan 8.250 nan 0.000 0.446 153 S N -0.095 115.662 115.700 0.094 0.000 2.607 153 S HA -0.054 4.417 4.470 0.001 0.000 0.224 153 S C 1.610 176.285 174.600 0.126 0.000 0.969 153 S CA 0.106 58.360 58.200 0.090 0.000 0.927 153 S CB -0.331 62.907 63.200 0.065 0.000 0.772 153 S HN 0.240 nan 8.310 nan 0.000 0.533 154 F N 2.645 122.607 119.950 0.019 0.000 2.113 154 F HA 0.085 4.613 4.527 0.001 0.000 0.297 154 F C 2.398 178.220 175.800 0.038 0.000 1.103 154 F CA 1.528 59.545 58.000 0.029 0.000 1.248 154 F CB -0.473 38.549 39.000 0.037 0.000 0.999 154 F HN 0.258 nan 8.300 nan 0.000 0.475 155 E N -0.177 120.057 120.200 0.056 0.000 2.118 155 E HA -0.240 4.110 4.350 0.001 0.000 0.195 155 E C 2.230 178.768 176.600 -0.104 0.000 0.992 155 E CA 1.607 57.989 56.400 -0.031 0.000 0.804 155 E CB -0.160 29.600 29.700 0.100 0.000 0.741 155 E HN 0.520 nan 8.360 nan 0.000 0.458 156 S N 0.104 115.767 115.700 -0.063 0.000 2.428 156 S HA -0.089 4.382 4.470 0.001 0.000 0.230 156 S C 1.712 176.249 174.600 -0.106 0.000 1.014 156 S CA 0.716 58.880 58.200 -0.060 0.000 0.957 156 S CB -0.071 63.117 63.200 -0.020 0.000 0.784 156 S HN 0.163 nan 8.310 nan 0.000 0.499 157 K N 1.086 121.382 120.400 -0.174 0.000 2.097 157 K HA 0.127 4.448 4.320 0.001 0.000 0.205 157 K C 2.015 178.476 176.600 -0.232 0.000 1.050 157 K CA 1.417 57.589 56.287 -0.192 0.000 0.938 157 K CB -0.395 31.964 32.500 -0.235 0.000 0.718 157 K HN 0.406 nan 8.250 nan 0.000 0.442 158 I N 1.157 121.504 120.570 -0.371 0.000 2.127 158 I HA -0.308 3.862 4.170 0.001 0.000 0.241 158 I C 2.242 178.214 176.117 -0.242 0.000 1.075 158 I CA 1.434 62.552 61.300 -0.304 0.000 1.334 158 I CB -0.446 37.365 38.000 -0.316 0.000 1.040 158 I HN 0.140 nan 8.210 nan 0.000 0.405 159 L N 0.460 121.576 121.223 -0.178 0.000 2.131 159 L HA -0.212 4.129 4.340 0.001 0.000 0.210 159 L C 2.500 179.321 176.870 -0.082 0.000 1.092 159 L CA 1.356 56.121 54.840 -0.125 0.000 0.759 159 L CB -0.507 41.509 42.059 -0.071 0.000 0.903 159 L HN 0.263 nan 8.230 nan 0.000 0.435 160 E N -0.407 119.755 120.200 -0.063 0.000 2.110 160 E HA -0.270 4.081 4.350 0.001 0.000 0.193 160 E C 2.029 178.680 176.600 0.085 0.000 0.988 160 E CA 1.149 57.527 56.400 -0.038 0.000 0.804 160 E CB 0.084 29.785 29.700 0.002 0.000 0.745 160 E HN 0.332 nan 8.360 nan 0.000 0.458 161 E N 0.048 120.346 120.200 0.164 0.000 2.107 161 E HA -0.137 4.214 4.350 0.001 0.000 0.191 161 E C 2.066 178.908 176.600 0.402 0.000 0.982 161 E CA 1.795 58.420 56.400 0.374 0.000 0.809 161 E CB -0.184 29.702 29.700 0.309 0.000 0.756 161 E HN 0.310 nan 8.360 nan 0.000 0.459 162 T N -1.368 113.246 114.554 0.100 0.000 2.833 162 T HA -0.171 4.180 4.350 0.001 0.000 0.269 162 T C 1.918 176.818 174.700 0.333 0.000 1.054 162 T CA 1.421 63.654 62.100 0.221 0.000 1.135 162 T CB -0.206 68.627 68.868 -0.058 0.000 0.869 162 T HN 0.076 nan 8.240 nan 0.000 0.466 163 K N 0.079 120.569 120.400 0.149 0.000 2.025 163 K HA 0.011 4.332 4.320 0.001 0.000 0.207 163 K C 2.005 178.665 176.600 0.100 0.000 1.049 163 K CA 1.200 57.517 56.287 0.050 0.000 0.933 163 K CB -0.355 32.060 32.500 -0.143 0.000 0.714 163 K HN 0.431 nan 8.250 nan 0.000 0.438 164 F N 0.222 120.271 119.950 0.165 0.000 2.091 164 F HA -0.263 4.265 4.527 0.001 0.000 0.299 164 F C 2.253 178.276 175.800 0.371 0.000 1.103 164 F CA 1.225 59.304 58.000 0.131 0.000 1.228 164 F CB -0.417 38.551 39.000 -0.053 0.000 0.984 164 F HN 0.105 nan 8.300 nan 0.000 0.477 165 F N 1.559 121.861 119.950 0.587 0.000 2.051 165 F HA -0.240 4.287 4.527 0.001 0.000 0.296 165 F C 2.236 178.254 175.800 0.364 0.000 1.122 165 F CA 1.793 60.108 58.000 0.526 0.000 1.201 165 F CB -0.897 38.440 39.000 0.563 0.000 0.978 165 F HN -0.162 nan 8.300 nan 0.000 0.472 166 N N 0.790 119.642 118.700 0.254 0.000 2.166 166 N HA -0.162 4.579 4.740 0.001 0.000 0.186 166 N C 1.454 177.085 175.510 0.202 0.000 1.019 166 N CA 1.534 54.702 53.050 0.198 0.000 0.856 166 N CB -0.720 37.975 38.487 0.348 0.000 0.993 166 N HN 0.330 nan 8.380 nan 0.000 0.426 167 D N 0.686 121.190 120.400 0.174 0.000 2.104 167 D HA -0.078 4.563 4.640 0.001 0.000 0.194 167 D C 1.804 178.168 176.300 0.105 0.000 0.994 167 D CA 1.328 55.406 54.000 0.130 0.000 0.830 167 D CB -0.443 40.415 40.800 0.096 0.000 0.959 167 D HN 0.244 nan 8.370 nan 0.000 0.452 168 A N 0.311 123.210 122.820 0.132 0.000 1.940 168 A HA -0.157 4.164 4.320 0.001 0.000 0.219 168 A C 2.330 179.870 177.584 -0.072 0.000 1.176 168 A CA 1.007 53.092 52.037 0.080 0.000 0.631 168 A CB -0.711 18.424 19.000 0.224 0.000 0.814 168 A HN 0.224 nan 8.150 nan 0.000 0.446 169 I N -0.796 119.663 120.570 -0.184 0.000 2.252 169 I HA -0.204 3.966 4.170 0.001 0.000 0.245 169 I C 2.465 178.505 176.117 -0.129 0.000 1.102 169 I CA 1.582 62.672 61.300 -0.351 0.000 1.385 169 I CB -0.208 37.399 38.000 -0.655 0.000 1.064 169 I HN 0.355 nan 8.210 nan 0.000 0.414 170 E N 0.880 121.142 120.200 0.103 0.000 2.085 170 E HA -0.218 4.132 4.350 0.001 0.000 0.194 170 E C 2.056 178.694 176.600 0.064 0.000 0.994 170 E CA 1.933 58.452 56.400 0.199 0.000 0.801 170 E CB -0.425 29.404 29.700 0.215 0.000 0.743 170 E HN 0.296 nan 8.360 nan 0.000 0.453 171 T N -0.254 114.288 114.554 -0.020 0.000 2.653 171 T HA -0.257 4.094 4.350 0.001 0.000 0.267 171 T C 1.203 175.781 174.700 -0.203 0.000 1.037 171 T CA 1.949 63.965 62.100 -0.140 0.000 1.159 171 T CB -0.593 68.123 68.868 -0.254 0.000 0.859 171 T HN 0.340 nan 8.240 nan 0.000 0.449 172 Y N 0.932 121.080 120.300 -0.254 0.000 2.616 172 Y HA 0.081 4.631 4.550 0.001 0.000 0.296 172 Y C 1.066 176.917 175.900 -0.082 0.000 1.154 172 Y CA 0.161 58.115 58.100 -0.243 0.000 1.325 172 Y CB 0.037 38.204 38.460 -0.488 0.000 1.007 172 Y HN -0.025 nan 8.280 nan 0.000 0.542 173 K N 0.139 120.596 120.400 0.095 0.000 3.148 173 K HA -0.242 4.079 4.320 0.001 0.000 0.267 173 K C 1.100 177.784 176.600 0.140 0.000 0.996 173 K CA 0.874 57.224 56.287 0.105 0.000 0.737 173 K CB -2.118 30.418 32.500 0.059 0.000 1.308 173 K HN 0.712 nan 8.250 nan 0.000 0.470 174 G N -0.618 108.287 108.800 0.175 0.000 2.184 174 G HA2 -0.392 3.569 3.960 0.001 0.000 0.264 174 G HA3 -0.392 3.569 3.960 0.001 0.000 0.264 174 G C 0.271 175.274 174.900 0.171 0.000 0.975 174 G CA 0.781 45.992 45.100 0.184 0.000 0.642 174 G HN 0.452 nan 8.290 nan 0.000 0.536 175 R N 1.388 121.999 120.500 0.185 0.000 2.490 175 R HA 0.460 4.801 4.340 0.001 0.000 0.278 175 R C -2.025 174.408 176.300 0.222 0.000 1.069 175 R CA -1.396 54.814 56.100 0.183 0.000 1.080 175 R CB 0.665 31.070 30.300 0.176 0.000 1.030 175 R HN 0.132 nan 8.270 nan 0.000 0.491 176 P HA 0.022 nan 4.420 nan 0.000 0.271 176 P C -1.176 176.233 177.300 0.183 0.000 1.220 176 P CA 0.373 63.550 63.100 0.129 0.000 0.768 176 P CB 0.311 32.061 31.700 0.083 0.000 0.848 177 F N -0.109 119.746 119.950 -0.159 0.000 2.745 177 F HA 0.569 5.097 4.527 0.001 0.000 0.316 177 F C -1.318 174.372 175.800 -0.184 0.000 1.155 177 F CA -1.312 56.526 58.000 -0.271 0.000 0.937 177 F CB 1.172 39.694 39.000 -0.797 0.000 1.361 177 F HN 0.042 nan 8.300 nan 0.000 0.472 178 D N 1.123 121.368 120.400 -0.258 0.000 2.249 178 D HA 0.256 4.896 4.640 0.001 0.000 0.246 178 D C 0.068 176.177 176.300 -0.318 0.000 1.114 178 D CA -0.163 53.632 54.000 -0.342 0.000 0.854 178 D CB 1.033 41.715 40.800 -0.197 0.000 1.132 178 D HN 0.596 nan 8.370 nan 0.000 0.461 179 F N 2.234 121.777 119.950 -0.679 0.000 2.661 179 F HA 0.008 4.536 4.527 0.001 0.000 0.298 179 F C 2.431 178.131 175.800 -0.166 0.000 1.137 179 F CA 0.004 57.774 58.000 -0.382 0.000 1.454 179 F CB 0.346 39.131 39.000 -0.359 0.000 1.103 179 F HN 0.354 nan 8.300 nan 0.000 0.577 180 K N 0.194 120.557 120.400 -0.063 0.000 2.034 180 K HA -0.272 4.048 4.320 0.001 0.000 0.214 180 K C 2.226 178.808 176.600 -0.029 0.000 1.051 180 K CA 1.569 57.818 56.287 -0.064 0.000 0.931 180 K CB -0.052 32.383 32.500 -0.108 0.000 0.715 180 K HN 0.132 nan 8.250 nan 0.000 0.446 181 Q N 0.603 120.391 119.800 -0.019 0.000 2.020 181 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 181 Q C 2.278 178.245 176.000 -0.055 0.000 0.982 181 Q CA 1.425 57.215 55.803 -0.022 0.000 0.838 181 Q CB -0.309 28.429 28.738 0.000 0.000 0.899 181 Q HN 0.393 nan 8.270 nan 0.000 0.423 182 L N 0.054 121.260 121.223 -0.028 0.000 2.017 182 L HA -0.196 4.145 4.340 0.001 0.000 0.208 182 L C 2.468 179.341 176.870 0.005 0.000 1.073 182 L CA 0.965 55.777 54.840 -0.047 0.000 0.745 182 L CB -0.563 41.543 42.059 0.079 0.000 0.894 182 L HN 0.208 nan 8.230 nan 0.000 0.432 183 I N -0.421 120.200 120.570 0.086 0.000 2.163 183 I HA -0.313 3.858 4.170 0.001 0.000 0.243 183 I C 2.552 178.527 176.117 -0.237 0.000 1.085 183 I CA 1.786 62.984 61.300 -0.170 0.000 1.347 183 I CB -0.753 37.216 38.000 -0.052 0.000 1.044 183 I HN 0.316 nan 8.210 nan 0.000 0.408 184 T N 0.906 115.389 114.554 -0.118 0.000 2.652 184 T HA -0.173 4.178 4.350 0.001 0.000 0.267 184 T C 1.702 176.375 174.700 -0.044 0.000 1.039 184 T CA 1.722 63.778 62.100 -0.073 0.000 1.153 184 T CB -0.470 68.379 68.868 -0.031 0.000 0.863 184 T HN 0.299 nan 8.240 nan 0.000 0.428 185 N N 1.764 120.414 118.700 -0.083 0.000 2.037 185 N HA -0.113 4.628 4.740 0.001 0.000 0.196 185 N C 2.148 177.658 175.510 -0.000 0.000 1.034 185 N CA 1.699 54.709 53.050 -0.066 0.000 0.861 185 N CB -0.872 37.365 38.487 -0.418 0.000 1.039 185 N HN 0.474 nan 8.380 nan 0.000 0.427 186 A N 0.689 123.436 122.820 -0.122 0.000 1.877 186 A HA -0.068 4.253 4.320 0.001 0.000 0.216 186 A C 2.590 180.155 177.584 -0.031 0.000 1.186 186 A CA 1.510 53.556 52.037 0.015 0.000 0.620 186 A CB -0.828 18.032 19.000 -0.232 0.000 0.822 186 A HN 0.122 nan 8.150 nan 0.000 0.443 187 V N 0.976 120.747 119.914 -0.238 0.000 2.307 187 V HA -0.245 3.876 4.120 0.001 0.000 0.245 187 V C 3.041 179.174 176.094 0.066 0.000 1.045 187 V CA 2.413 64.631 62.300 -0.136 0.000 1.024 187 V CB -1.020 30.688 31.823 -0.191 0.000 0.651 187 V HN 0.823 nan 8.190 nan 0.000 0.449 188 S N 0.759 116.521 115.700 0.103 0.000 2.383 188 S HA -0.266 4.205 4.470 0.001 0.000 0.229 188 S C 1.800 176.523 174.600 0.204 0.000 1.030 188 S CA 1.784 60.113 58.200 0.214 0.000 1.002 188 S CB -0.752 62.668 63.200 0.365 0.000 0.829 188 S HN 0.588 nan 8.310 nan 0.000 0.467 189 N N 1.820 120.614 118.700 0.157 0.000 2.289 189 N HA 0.010 4.751 4.740 0.001 0.000 0.184 189 N C 1.503 177.068 175.510 0.091 0.000 1.016 189 N CA 1.107 54.207 53.050 0.082 0.000 0.872 189 N CB -0.488 38.053 38.487 0.091 0.000 0.973 189 N HN 0.404 nan 8.380 nan 0.000 0.433 190 I N 0.628 121.294 120.570 0.159 0.000 2.394 190 I HA -0.138 4.033 4.170 0.001 0.000 0.251 190 I C 1.888 178.126 176.117 0.202 0.000 1.136 190 I CA 1.135 62.544 61.300 0.183 0.000 1.425 190 I CB -1.492 36.653 38.000 0.242 0.000 1.079 190 I HN 0.070 nan 8.210 nan 0.000 0.425 191 T N 1.097 115.755 114.554 0.173 0.000 2.894 191 T HA -0.030 4.321 4.350 0.001 0.000 0.258 191 T C 1.716 176.417 174.700 0.002 0.000 1.043 191 T CA 0.740 62.914 62.100 0.123 0.000 1.141 191 T CB -0.127 68.851 68.868 0.184 0.000 0.873 191 T HN 0.245 nan 8.240 nan 0.000 0.449 192 N N 1.802 120.531 118.700 0.048 0.000 2.137 192 N HA -0.053 4.687 4.740 0.001 0.000 0.190 192 N C 1.839 177.288 175.510 -0.101 0.000 1.017 192 N CA 0.929 53.979 53.050 0.000 0.000 0.859 192 N CB -0.628 37.797 38.487 -0.103 0.000 1.002 192 N HN 0.357 nan 8.380 nan 0.000 0.428 193 L N 0.580 121.768 121.223 -0.058 0.000 2.012 193 L HA -0.148 4.193 4.340 0.001 0.000 0.210 193 L C 2.150 179.007 176.870 -0.022 0.000 1.073 193 L CA 1.106 55.942 54.840 -0.007 0.000 0.748 193 L CB -0.390 41.734 42.059 0.109 0.000 0.891 193 L HN 0.110 nan 8.230 nan 0.000 0.431 194 I N -0.874 119.647 120.570 -0.082 0.000 2.439 194 I HA -0.231 3.940 4.170 0.001 0.000 0.251 194 I C 2.181 178.120 176.117 -0.297 0.000 1.139 194 I CA 1.205 62.373 61.300 -0.220 0.000 1.438 194 I CB 0.033 37.719 38.000 -0.523 0.000 1.085 194 I HN 0.176 nan 8.210 nan 0.000 0.427 195 I N -0.920 119.420 120.570 -0.382 0.000 2.556 195 I HA -0.098 4.073 4.170 0.001 0.000 0.251 195 I C 1.395 177.113 176.117 -0.666 0.000 1.105 195 I CA 0.997 61.987 61.300 -0.516 0.000 1.436 195 I CB 0.052 37.556 38.000 -0.828 0.000 1.139 195 I HN 0.018 nan 8.210 nan 0.000 0.438 196 F N 0.447 120.226 119.950 -0.285 0.000 2.721 196 F HA 0.387 4.914 4.527 0.001 0.000 0.301 196 F C 1.760 177.318 175.800 -0.403 0.000 1.096 196 F CA 0.097 57.815 58.000 -0.470 0.000 1.308 196 F CB -0.277 38.631 39.000 -0.153 0.000 1.086 196 F HN 0.141 nan 8.300 nan 0.000 0.587 197 G N 0.893 109.658 108.800 -0.059 0.000 2.162 197 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 197 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 197 G C 0.128 175.038 174.900 0.016 0.000 0.976 197 G CA 0.586 45.743 45.100 0.095 0.000 0.655 197 G HN 0.507 nan 8.290 nan 0.000 0.533 198 E N -1.461 118.682 120.200 -0.095 0.000 2.445 198 E HA 0.694 5.045 4.350 0.001 0.000 0.279 198 E C -0.287 176.059 176.600 -0.425 0.000 1.018 198 E CA -1.359 54.921 56.400 -0.201 0.000 0.816 198 E CB 0.900 30.490 29.700 -0.183 0.000 1.356 198 E HN 0.545 nan 8.360 nan 0.000 0.462 199 R N 0.565 120.822 120.500 -0.406 0.000 2.589 199 R HA 0.572 4.912 4.340 0.001 0.000 0.293 199 R C -1.326 174.647 176.300 -0.546 0.000 0.963 199 R CA -0.705 55.105 56.100 -0.485 0.000 0.905 199 R CB 0.933 31.093 30.300 -0.233 0.000 1.144 199 R HN 0.365 nan 8.270 nan 0.000 0.459 200 F N 0.966 120.806 119.950 -0.182 0.000 2.399 200 F HA 0.291 4.819 4.527 0.002 0.000 0.334 200 F C 1.304 177.014 175.800 -0.149 0.000 1.097 200 F CA -0.742 57.139 58.000 -0.198 0.000 1.076 200 F CB 1.905 40.699 39.000 -0.342 0.000 1.162 200 F HN 0.694 nan 8.300 nan 0.000 0.495 201 T N -1.179 113.407 114.554 0.054 0.000 2.766 201 T HA 0.087 4.438 4.350 0.001 0.000 0.295 201 T C 0.694 175.478 174.700 0.141 0.000 1.024 201 T CA -0.253 61.802 62.100 -0.075 0.000 1.018 201 T CB 0.398 69.216 68.868 -0.083 0.000 1.002 201 T HN 0.619 nan 8.240 nan 0.000 0.532 202 Y N -0.454 119.820 120.300 -0.043 0.000 2.583 202 Y HA 0.052 4.603 4.550 0.001 0.000 0.293 202 Y C 2.176 178.096 175.900 0.033 0.000 1.157 202 Y CA -0.287 57.825 58.100 0.020 0.000 1.315 202 Y CB 0.075 38.557 38.460 0.036 0.000 1.021 202 Y HN 0.628 nan 8.280 nan 0.000 0.536 203 E N -0.139 120.156 120.200 0.158 0.000 2.478 203 E HA -0.074 4.277 4.350 0.001 0.000 0.194 203 E C 0.273 176.928 176.600 0.092 0.000 1.045 203 E CA 0.175 56.635 56.400 0.100 0.000 0.868 203 E CB -0.067 29.667 29.700 0.058 0.000 0.885 203 E HN 0.097 nan 8.360 nan 0.000 0.505 204 D N 0.815 121.284 120.400 0.115 0.000 2.541 204 D HA -0.045 4.595 4.640 0.001 0.000 0.231 204 D C 0.695 177.072 176.300 0.129 0.000 1.163 204 D CA 0.251 54.316 54.000 0.110 0.000 1.077 204 D CB 0.081 40.947 40.800 0.111 0.000 1.110 204 D HN 0.131 nan 8.370 nan 0.000 0.499 205 T N -0.875 113.734 114.554 0.092 0.000 3.085 205 T HA -0.098 4.252 4.350 0.001 0.000 0.263 205 T C 1.206 175.944 174.700 0.063 0.000 1.127 205 T CA 0.336 62.481 62.100 0.076 0.000 1.103 205 T CB 0.236 69.129 68.868 0.043 0.000 0.921 205 T HN 0.045 nan 8.240 nan 0.000 0.510 206 D N 0.825 121.271 120.400 0.075 0.000 2.097 206 D HA 0.008 4.649 4.640 0.001 0.000 0.197 206 D C 1.468 177.706 176.300 -0.102 0.000 0.984 206 D CA 0.712 54.747 54.000 0.060 0.000 0.826 206 D CB -0.557 40.370 40.800 0.212 0.000 0.973 206 D HN 0.458 nan 8.370 nan 0.000 0.460 207 F N 1.470 121.351 119.950 -0.114 0.000 2.171 207 F HA -0.168 4.360 4.527 0.002 0.000 0.300 207 F C 2.344 178.028 175.800 -0.193 0.000 1.090 207 F CA 1.372 59.237 58.000 -0.224 0.000 1.293 207 F CB -0.027 38.870 39.000 -0.171 0.000 1.013 207 F HN -0.096 nan 8.300 nan 0.000 0.486 208 Q N -1.128 118.730 119.800 0.096 0.000 2.084 208 Q HA -0.281 4.060 4.340 0.001 0.000 0.202 208 Q C 2.063 178.010 176.000 -0.089 0.000 0.978 208 Q CA 1.871 57.698 55.803 0.040 0.000 0.844 208 Q CB -0.485 28.316 28.738 0.104 0.000 0.898 208 Q HN 0.583 nan 8.270 nan 0.000 0.426 209 H N 0.400 119.353 119.070 -0.195 0.000 2.353 209 H HA -0.113 4.444 4.556 0.001 0.000 0.300 209 H C 1.939 177.081 175.328 -0.310 0.000 1.090 209 H CA 1.728 57.648 56.048 -0.213 0.000 1.327 209 H CB -0.047 29.598 29.762 -0.195 0.000 1.383 209 H HN 0.123 nan 8.280 nan 0.000 0.508 210 M N 0.118 119.364 119.600 -0.590 0.000 2.159 210 M HA -0.142 4.339 4.480 0.001 0.000 0.263 210 M C 1.871 177.912 176.300 -0.432 0.000 1.063 210 M CA 1.555 56.442 55.300 -0.688 0.000 1.110 210 M CB -0.463 31.450 32.600 -1.145 0.000 1.374 210 M HN 0.490 nan 8.290 nan 0.000 0.411 211 I N -0.027 120.294 120.570 -0.415 0.000 2.439 211 I HA -0.222 3.948 4.170 0.001 0.000 0.251 211 I C 2.100 178.141 176.117 -0.126 0.000 1.139 211 I CA 0.980 62.154 61.300 -0.211 0.000 1.438 211 I CB -0.412 37.462 38.000 -0.210 0.000 1.085 211 I HN 0.274 nan 8.210 nan 0.000 0.427 212 E N 1.353 121.444 120.200 -0.182 0.000 2.106 212 E HA -0.136 4.215 4.350 0.001 0.000 0.192 212 E C 2.185 178.695 176.600 -0.150 0.000 0.984 212 E CA 1.094 57.408 56.400 -0.143 0.000 0.806 212 E CB -0.109 29.511 29.700 -0.135 0.000 0.750 212 E HN 0.391 nan 8.360 nan 0.000 0.458 213 L N -0.658 120.418 121.223 -0.245 0.000 2.072 213 L HA -0.062 4.279 4.340 0.001 0.000 0.205 213 L C 2.346 179.200 176.870 -0.026 0.000 1.079 213 L CA 1.051 55.778 54.840 -0.189 0.000 0.752 213 L CB -0.459 41.420 42.059 -0.301 0.000 0.906 213 L HN 0.207 nan 8.230 nan 0.000 0.436 214 F N -0.180 119.667 119.950 -0.172 0.000 2.171 214 F HA -0.283 4.245 4.527 0.001 0.000 0.300 214 F C 2.886 178.636 175.800 -0.083 0.000 1.090 214 F CA 1.079 59.015 58.000 -0.107 0.000 1.293 214 F CB 0.198 39.132 39.000 -0.110 0.000 1.013 214 F HN 0.095 nan 8.300 nan 0.000 0.486 215 S N 0.136 115.889 115.700 0.088 0.000 2.371 215 S HA -0.205 4.266 4.470 0.001 0.000 0.224 215 S C 1.717 176.318 174.600 0.002 0.000 1.029 215 S CA 1.455 59.649 58.200 -0.010 0.000 0.978 215 S CB -0.414 62.759 63.200 -0.044 0.000 0.833 215 S HN 0.481 nan 8.310 nan 0.000 0.466 216 E N 0.805 121.003 120.200 -0.003 0.000 2.114 216 E HA -0.196 4.155 4.350 0.001 0.000 0.199 216 E C 1.936 178.538 176.600 0.003 0.000 1.008 216 E CA 1.549 57.942 56.400 -0.011 0.000 0.810 216 E CB -0.235 29.446 29.700 -0.032 0.000 0.739 216 E HN 0.490 nan 8.360 nan 0.000 0.456 217 N N 0.090 118.815 118.700 0.042 0.000 2.120 217 N HA -0.122 4.619 4.740 0.001 0.000 0.188 217 N C 1.839 177.380 175.510 0.052 0.000 1.024 217 N CA 0.748 53.832 53.050 0.057 0.000 0.852 217 N CB -0.401 38.167 38.487 0.135 0.000 1.003 217 N HN -0.010 nan 8.380 nan 0.000 0.424 218 V N 1.191 121.134 119.914 0.050 0.000 2.392 218 V HA -0.215 3.906 4.120 0.001 0.000 0.249 218 V C 2.292 178.383 176.094 -0.005 0.000 1.059 218 V CA 1.652 63.952 62.300 -0.000 0.000 1.051 218 V CB -0.424 31.368 31.823 -0.051 0.000 0.658 218 V HN 0.392 nan 8.190 nan 0.000 0.455 219 E N -0.022 120.178 120.200 -0.001 0.000 2.046 219 E HA -0.160 4.191 4.350 0.001 0.000 0.190 219 E C 2.144 178.746 176.600 0.003 0.000 0.982 219 E CA 0.973 57.377 56.400 0.005 0.000 0.800 219 E CB -0.116 29.586 29.700 0.003 0.000 0.756 219 E HN 0.563 nan 8.360 nan 0.000 0.449 220 L N 0.568 121.784 121.223 -0.012 0.000 2.265 220 L HA -0.117 4.224 4.340 0.001 0.000 0.215 220 L C 2.430 179.274 176.870 -0.044 0.000 1.117 220 L CA 0.813 55.635 54.840 -0.029 0.000 0.782 220 L CB -0.328 41.694 42.059 -0.061 0.000 0.914 220 L HN 0.191 nan 8.230 nan 0.000 0.441 221 A N 0.056 122.851 122.820 -0.041 0.000 2.019 221 A HA -0.075 4.245 4.320 0.001 0.000 0.219 221 A C 2.355 179.868 177.584 -0.117 0.000 1.164 221 A CA 1.634 53.624 52.037 -0.078 0.000 0.644 221 A CB -0.458 18.523 19.000 -0.032 0.000 0.805 221 A HN 0.389 nan 8.150 nan 0.000 0.449 222 A N -0.983 121.833 122.820 -0.006 0.000 2.308 222 A HA 0.404 4.725 4.320 0.001 0.000 0.217 222 A C 1.267 179.000 177.584 0.248 0.000 1.216 222 A CA 0.616 52.736 52.037 0.139 0.000 0.864 222 A CB -0.400 18.689 19.000 0.148 0.000 0.902 222 A HN 0.387 nan 8.150 nan 0.000 0.499 223 S N -0.291 115.485 115.700 0.127 0.000 2.560 223 S HA 0.358 4.829 4.470 0.001 0.000 0.284 223 S C 1.568 176.317 174.600 0.248 0.000 1.327 223 S CA 0.137 58.415 58.200 0.129 0.000 1.055 223 S CB 0.879 64.104 63.200 0.042 0.000 0.868 223 S HN 0.794 nan 8.310 nan 0.000 0.506 224 A N 4.474 127.402 122.820 0.179 0.000 1.917 224 A HA -0.074 4.246 4.320 0.001 0.000 0.219 224 A C 2.438 180.106 177.584 0.141 0.000 1.182 224 A CA 2.314 54.449 52.037 0.164 0.000 0.633 224 A CB -1.340 17.695 19.000 0.058 0.000 0.819 224 A HN 0.851 nan 8.150 nan 0.000 0.448 225 S N -0.802 114.940 115.700 0.071 0.000 2.387 225 S HA -0.160 4.311 4.470 0.001 0.000 0.230 225 S C 1.807 176.409 174.600 0.004 0.000 1.035 225 S CA 1.621 59.828 58.200 0.011 0.000 1.014 225 S CB -0.384 62.805 63.200 -0.018 0.000 0.836 225 S HN 0.374 nan 8.310 nan 0.000 0.466 226 V N 0.264 120.184 119.914 0.010 0.000 2.649 226 V HA -0.000 4.120 4.120 0.001 0.000 0.248 226 V C 1.726 177.771 176.094 -0.082 0.000 1.054 226 V CA 1.150 63.418 62.300 -0.052 0.000 1.073 226 V CB -0.640 31.088 31.823 -0.158 0.000 0.699 226 V HN 0.412 nan 8.190 nan 0.000 0.463 227 F N -0.025 119.892 119.950 -0.055 0.000 2.171 227 F HA -0.165 4.363 4.527 0.001 0.000 0.300 227 F C 2.093 177.779 175.800 -0.190 0.000 1.090 227 F CA 1.619 59.563 58.000 -0.094 0.000 1.293 227 F CB -0.362 38.600 39.000 -0.062 0.000 1.013 227 F HN 0.074 nan 8.300 nan 0.000 0.486 228 L N -1.617 119.623 121.223 0.028 0.000 2.027 228 L HA -0.250 4.090 4.340 0.001 0.000 0.206 228 L C 2.361 179.104 176.870 -0.212 0.000 1.074 228 L CA 1.409 56.191 54.840 -0.097 0.000 0.745 228 L CB -1.002 41.093 42.059 0.060 0.000 0.898 228 L HN 0.131 nan 8.230 nan 0.000 0.433 229 Y N 1.541 121.711 120.300 -0.216 0.000 2.102 229 Y HA -0.337 4.214 4.550 0.001 0.000 0.280 229 Y C 2.526 178.281 175.900 -0.243 0.000 1.178 229 Y CA 1.942 59.915 58.100 -0.211 0.000 1.146 229 Y CB -0.308 38.085 38.460 -0.111 0.000 0.968 229 Y HN 0.237 nan 8.280 nan 0.000 0.504 230 N N 0.304 118.830 118.700 -0.291 0.000 2.188 230 N HA -0.145 4.596 4.740 0.001 0.000 0.184 230 N C 1.983 177.201 175.510 -0.488 0.000 1.018 230 N CA 1.329 54.152 53.050 -0.379 0.000 0.858 230 N CB -0.677 37.638 38.487 -0.287 0.000 0.989 230 N HN 0.543 nan 8.380 nan 0.000 0.426 231 A N 0.454 122.885 122.820 -0.648 0.000 1.873 231 A HA -0.008 4.313 4.320 0.001 0.000 0.215 231 A C 0.487 177.424 177.584 -1.078 0.000 1.186 231 A CA 0.969 52.380 52.037 -1.043 0.000 0.616 231 A CB -0.354 17.626 19.000 -1.699 0.000 0.823 231 A HN 0.260 nan 8.150 nan 0.000 0.442 232 F N -1.390 118.262 119.950 -0.497 0.000 2.550 232 F HA 0.347 4.875 4.527 0.002 0.000 0.348 232 F C -2.165 173.039 175.800 -0.994 0.000 1.219 232 F CA -1.850 55.687 58.000 -0.773 0.000 1.203 232 F CB 1.459 39.844 39.000 -1.024 0.000 1.436 232 F HN 0.040 nan 8.300 nan 0.000 0.541 233 P HA -0.137 nan 4.420 nan 0.000 0.230 233 P C 1.610 178.773 177.300 -0.228 0.000 1.158 233 P CA 0.900 63.575 63.100 -0.708 0.000 0.769 233 P CB -0.119 31.259 31.700 -0.536 0.000 0.807 234 W N -0.533 120.785 121.300 0.030 0.000 2.421 234 W HA -0.062 4.599 4.660 0.001 0.000 0.270 234 W C 1.249 177.865 176.519 0.163 0.000 1.233 234 W CA 0.173 57.577 57.345 0.098 0.000 1.226 234 W CB -1.776 27.739 29.460 0.092 0.000 1.121 234 W HN -0.078 nan 8.180 nan 0.000 0.579 235 I N 2.306 122.798 120.570 -0.129 0.000 2.479 235 I HA -0.244 3.927 4.170 0.001 0.000 0.258 235 I C 2.791 179.137 176.117 0.382 0.000 1.165 235 I CA 1.668 62.984 61.300 0.027 0.000 1.422 235 I CB -1.013 36.854 38.000 -0.223 0.000 1.087 235 I HN 0.083 nan 8.210 nan 0.000 0.441 236 G N 1.069 110.176 108.800 0.510 0.000 2.462 236 G HA2 -0.231 3.729 3.960 0.001 0.000 0.220 236 G HA3 -0.231 3.729 3.960 0.001 0.000 0.220 236 G C 1.600 176.721 174.900 0.369 0.000 1.121 236 G CA 0.529 45.982 45.100 0.588 0.000 0.758 236 G HN 0.414 nan 8.290 nan 0.000 0.559 237 I N 0.500 121.263 120.570 0.321 0.000 2.454 237 I HA -0.016 4.155 4.170 0.001 0.000 0.254 237 I C 0.846 177.090 176.117 0.212 0.000 1.156 237 I CA 0.135 61.572 61.300 0.229 0.000 1.433 237 I CB -0.165 37.967 38.000 0.220 0.000 1.082 237 I HN 0.040 nan 8.210 nan 0.000 0.432 238 L N 3.364 124.768 121.223 0.302 0.000 2.410 238 L HA 0.063 4.404 4.340 0.001 0.000 0.273 238 L C -1.084 175.894 176.870 0.180 0.000 1.144 238 L CA -1.018 53.986 54.840 0.273 0.000 0.863 238 L CB 0.144 42.407 42.059 0.340 0.000 1.140 238 L HN -0.055 nan 8.230 nan 0.000 0.463 239 P HA -0.035 nan 4.420 nan 0.000 0.235 239 P C 0.075 177.155 177.300 -0.367 0.000 1.177 239 P CA 0.778 63.708 63.100 -0.284 0.000 0.785 239 P CB 0.273 31.658 31.700 -0.524 0.000 0.885 240 F N 0.436 120.452 119.950 0.111 0.000 2.432 240 F HA 0.625 5.152 4.527 0.000 0.000 0.329 240 F C 1.352 177.260 175.800 0.181 0.000 1.076 240 F CA 0.289 58.347 58.000 0.096 0.000 1.018 240 F CB 1.575 40.623 39.000 0.081 0.000 1.201 240 F HN 0.046 nan 8.300 nan 0.000 0.489 241 G N 1.626 110.617 108.800 0.318 0.000 2.423 241 G HA2 -0.125 3.836 3.960 0.001 0.000 0.684 241 G HA3 -0.125 3.836 3.960 0.001 0.000 0.684 241 G C -0.093 174.921 174.900 0.191 0.000 1.309 241 G CA -0.938 44.320 45.100 0.264 0.000 0.950 241 G HN 0.594 nan 8.290 nan 0.000 0.587 242 K N -0.260 120.218 120.400 0.130 0.000 2.209 242 K HA -0.149 4.171 4.320 0.001 0.000 0.204 242 K C 2.229 178.773 176.600 -0.095 0.000 1.048 242 K CA 1.832 58.125 56.287 0.011 0.000 0.940 242 K CB -0.204 32.291 32.500 -0.008 0.000 0.729 242 K HN 0.727 nan 8.250 nan 0.000 0.451 243 H N 0.430 119.298 119.070 -0.335 0.000 2.389 243 H HA -0.021 4.536 4.556 0.001 0.000 0.299 243 H C 1.544 176.273 175.328 -0.999 0.000 1.081 243 H CA 0.912 56.519 56.048 -0.736 0.000 1.345 243 H CB -0.213 29.163 29.762 -0.642 0.000 1.393 243 H HN 0.120 nan 8.280 nan 0.000 0.520 244 Q N 0.865 120.121 119.800 -0.906 0.000 2.123 244 Q HA -0.105 4.235 4.340 0.001 0.000 0.199 244 Q C 2.435 178.241 176.000 -0.323 0.000 0.966 244 Q CA 1.062 56.519 55.803 -0.577 0.000 0.845 244 Q CB -0.251 28.241 28.738 -0.410 0.000 0.907 244 Q HN 0.672 nan 8.270 nan 0.000 0.439 245 Q N 0.474 120.127 119.800 -0.244 0.000 2.112 245 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 245 Q C 2.133 178.025 176.000 -0.180 0.000 0.987 245 Q CA 1.059 56.770 55.803 -0.153 0.000 0.858 245 Q CB -0.110 28.569 28.738 -0.098 0.000 0.905 245 Q HN 0.348 nan 8.270 nan 0.000 0.420 246 L N -0.278 120.761 121.223 -0.306 0.000 2.056 246 L HA -0.155 4.185 4.340 0.001 0.000 0.207 246 L C 1.956 178.734 176.870 -0.154 0.000 1.078 246 L CA 0.942 55.620 54.840 -0.270 0.000 0.749 246 L CB -0.173 41.650 42.059 -0.394 0.000 0.901 246 L HN 0.222 nan 8.230 nan 0.000 0.433 247 F N -0.078 119.783 119.950 -0.149 0.000 2.186 247 F HA -0.121 4.407 4.527 0.001 0.000 0.299 247 F C 2.725 178.460 175.800 -0.108 0.000 1.090 247 F CA 1.253 59.169 58.000 -0.141 0.000 1.307 247 F CB -1.046 37.846 39.000 -0.180 0.000 1.019 247 F HN 0.095 nan 8.300 nan 0.000 0.489 248 R N 0.693 121.230 120.500 0.062 0.000 2.073 248 R HA -0.173 4.168 4.340 0.001 0.000 0.234 248 R C 2.001 178.299 176.300 -0.003 0.000 1.134 248 R CA 1.836 57.944 56.100 0.014 0.000 0.952 248 R CB -0.375 29.915 30.300 -0.018 0.000 0.850 248 R HN 0.112 nan 8.270 nan 0.000 0.433 249 N N 0.745 119.426 118.700 -0.031 0.000 2.104 249 N HA -0.172 4.569 4.740 0.001 0.000 0.190 249 N C 1.609 177.082 175.510 -0.062 0.000 1.024 249 N CA 1.836 54.851 53.050 -0.057 0.000 0.853 249 N CB -0.487 37.958 38.487 -0.071 0.000 1.008 249 N HN 0.414 nan 8.380 nan 0.000 0.424 250 A N 0.508 123.314 122.820 -0.023 0.000 1.969 250 A HA 0.078 4.399 4.320 0.001 0.000 0.218 250 A C 2.311 179.905 177.584 0.018 0.000 1.169 250 A CA 1.768 53.792 52.037 -0.022 0.000 0.635 250 A CB -0.746 18.285 19.000 0.051 0.000 0.810 250 A HN 0.326 nan 8.150 nan 0.000 0.445 251 A N -0.336 122.499 122.820 0.024 0.000 1.845 251 A HA -0.022 4.299 4.320 0.001 0.000 0.215 251 A C 2.203 179.826 177.584 0.066 0.000 1.195 251 A CA 1.832 53.889 52.037 0.034 0.000 0.616 251 A CB -1.141 17.866 19.000 0.011 0.000 0.832 251 A HN 0.432 nan 8.150 nan 0.000 0.443 252 V N -0.221 119.712 119.914 0.032 0.000 2.324 252 V HA -0.266 3.855 4.120 0.001 0.000 0.250 252 V C 2.561 178.677 176.094 0.036 0.000 1.060 252 V CA 2.116 64.440 62.300 0.041 0.000 1.042 252 V CB -0.935 30.898 31.823 0.018 0.000 0.650 252 V HN 0.364 nan 8.190 nan 0.000 0.450 253 V N -1.202 118.682 119.914 -0.051 0.000 2.358 253 V HA -0.292 3.829 4.120 0.001 0.000 0.246 253 V C 2.183 178.263 176.094 -0.024 0.000 1.047 253 V CA 2.375 64.593 62.300 -0.137 0.000 1.035 253 V CB -0.763 30.803 31.823 -0.428 0.000 0.658 253 V HN 0.639 nan 8.190 nan 0.000 0.452 254 Y N 1.099 121.346 120.300 -0.089 0.000 2.207 254 Y HA -0.303 4.247 4.550 0.001 0.000 0.287 254 Y C 2.310 178.201 175.900 -0.015 0.000 1.156 254 Y CA 2.317 60.394 58.100 -0.040 0.000 1.182 254 Y CB -0.162 38.294 38.460 -0.007 0.000 0.979 254 Y HN 0.398 nan 8.280 nan 0.000 0.521 255 D N -1.000 119.512 120.400 0.187 0.000 2.123 255 D HA -0.207 4.434 4.640 0.001 0.000 0.200 255 D C 1.952 178.269 176.300 0.029 0.000 0.976 255 D CA 1.135 55.201 54.000 0.111 0.000 0.831 255 D CB -0.416 40.458 40.800 0.124 0.000 0.974 255 D HN 0.335 nan 8.370 nan 0.000 0.469 256 F N 0.630 120.540 119.950 -0.066 0.000 2.102 256 F HA -0.095 4.433 4.527 0.001 0.000 0.298 256 F C 1.906 177.640 175.800 -0.111 0.000 1.105 256 F CA 1.214 59.161 58.000 -0.087 0.000 1.239 256 F CB -0.126 38.819 39.000 -0.093 0.000 0.991 256 F HN -0.013 nan 8.300 nan 0.000 0.474 257 L N -0.347 120.914 121.223 0.062 0.000 2.046 257 L HA -0.247 4.094 4.340 0.001 0.000 0.208 257 L C 2.738 179.524 176.870 -0.141 0.000 1.077 257 L CA 1.583 56.422 54.840 -0.002 0.000 0.747 257 L CB -0.988 41.066 42.059 -0.008 0.000 0.896 257 L HN 0.299 nan 8.230 nan 0.000 0.432 258 S N -0.617 114.935 115.700 -0.247 0.000 2.402 258 S HA -0.136 4.334 4.470 0.001 0.000 0.229 258 S C 2.147 176.632 174.600 -0.192 0.000 1.021 258 S CA 0.455 58.511 58.200 -0.241 0.000 0.974 258 S CB -0.218 62.821 63.200 -0.268 0.000 0.800 258 S HN 0.292 nan 8.310 nan 0.000 0.484 259 R N 1.216 121.571 120.500 -0.242 0.000 2.075 259 R HA 0.223 4.564 4.340 0.001 0.000 0.232 259 R C 2.352 178.458 176.300 -0.323 0.000 1.126 259 R CA 1.006 56.935 56.100 -0.285 0.000 0.963 259 R CB -1.299 28.771 30.300 -0.383 0.000 0.858 259 R HN 0.468 nan 8.270 nan 0.000 0.435 260 L N 0.222 121.204 121.223 -0.403 0.000 2.056 260 L HA -0.096 4.245 4.340 0.001 0.000 0.207 260 L C 2.391 179.108 176.870 -0.255 0.000 1.078 260 L CA 1.078 55.655 54.840 -0.439 0.000 0.749 260 L CB -0.381 41.331 42.059 -0.577 0.000 0.901 260 L HN 0.081 nan 8.230 nan 0.000 0.433 261 I N -0.629 119.889 120.570 -0.087 0.000 2.361 261 I HA -0.239 3.932 4.170 0.001 0.000 0.251 261 I C 2.551 178.659 176.117 -0.015 0.000 1.133 261 I CA 1.016 62.340 61.300 0.040 0.000 1.413 261 I CB -0.218 37.794 38.000 0.020 0.000 1.073 261 I HN 0.285 nan 8.210 nan 0.000 0.424 262 E N 1.061 121.217 120.200 -0.073 0.000 2.046 262 E HA -0.172 4.179 4.350 0.001 0.000 0.190 262 E C 2.143 178.712 176.600 -0.051 0.000 0.982 262 E CA 0.987 57.351 56.400 -0.059 0.000 0.800 262 E CB -0.079 29.574 29.700 -0.078 0.000 0.756 262 E HN 0.474 nan 8.360 nan 0.000 0.449 263 K N 0.620 120.967 120.400 -0.089 0.000 2.152 263 K HA -0.083 4.238 4.320 0.001 0.000 0.206 263 K C 1.958 178.548 176.600 -0.017 0.000 1.048 263 K CA 1.156 57.400 56.287 -0.071 0.000 0.933 263 K CB -0.052 32.376 32.500 -0.119 0.000 0.721 263 K HN 0.007 nan 8.250 nan 0.000 0.447 264 A N 0.869 123.688 122.820 -0.001 0.000 2.169 264 A HA -0.037 4.284 4.320 0.001 0.000 0.212 264 A C 1.786 179.472 177.584 0.170 0.000 1.153 264 A CA 1.073 53.160 52.037 0.084 0.000 0.756 264 A CB -0.079 18.965 19.000 0.074 0.000 0.813 264 A HN 0.294 nan 8.150 nan 0.000 0.471 265 S N -1.242 114.516 115.700 0.097 0.000 2.540 265 S HA 0.144 4.615 4.470 0.001 0.000 0.218 265 S C 1.387 176.013 174.600 0.043 0.000 0.977 265 S CA 0.513 58.765 58.200 0.087 0.000 0.918 265 S CB -0.141 63.092 63.200 0.054 0.000 0.806 265 S HN 0.124 nan 8.310 nan 0.000 0.496 266 V N 3.634 123.568 119.914 0.033 0.000 2.214 266 V HA -0.222 3.899 4.120 0.001 0.000 0.247 266 V C 1.797 177.899 176.094 0.012 0.000 1.051 266 V CA 2.064 64.373 62.300 0.014 0.000 1.003 266 V CB -0.760 31.067 31.823 0.008 0.000 0.635 266 V HN 0.564 nan 8.190 nan 0.000 0.447 267 N N 0.282 118.993 118.700 0.019 0.000 2.501 267 N HA -0.023 4.718 4.740 0.001 0.000 0.195 267 N C 0.826 176.330 175.510 -0.009 0.000 1.213 267 N CA 0.100 53.154 53.050 0.006 0.000 0.864 267 N CB -0.504 37.989 38.487 0.011 0.000 0.999 267 N HN 0.449 nan 8.380 nan 0.000 0.454 268 R N 1.939 122.433 120.500 -0.010 0.000 2.538 268 R HA -0.010 4.331 4.340 0.001 0.000 0.282 268 R C -0.406 175.872 176.300 -0.036 0.000 1.009 268 R CA 0.445 56.524 56.100 -0.034 0.000 1.063 268 R CB 0.367 30.654 30.300 -0.023 0.000 0.945 268 R HN -0.049 nan 8.270 nan 0.000 0.414 269 K N 6.891 127.262 120.400 -0.048 0.000 2.347 269 K HA 0.270 4.591 4.320 0.001 0.000 0.262 269 K C -2.362 174.212 176.600 -0.045 0.000 1.052 269 K CA -1.887 54.377 56.287 -0.038 0.000 0.946 269 K CB 1.650 34.131 32.500 -0.032 0.000 1.220 269 K HN 0.461 nan 8.250 nan 0.000 0.450 270 P HA -0.138 nan 4.420 nan 0.000 0.263 270 P C -0.106 177.163 177.300 -0.052 0.000 1.168 270 P CA 0.670 63.739 63.100 -0.051 0.000 0.759 270 P CB 0.478 32.151 31.700 -0.044 0.000 0.782 271 Q N -0.098 119.663 119.800 -0.065 0.000 2.324 271 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 271 Q C -0.249 175.720 176.000 -0.053 0.000 0.645 271 Q CA 1.293 57.056 55.803 -0.067 0.000 1.377 271 Q CB -2.161 26.541 28.738 -0.059 0.000 1.486 271 Q HN 0.556 nan 8.270 nan 0.000 0.796 272 L N 1.822 123.021 121.223 -0.041 0.000 2.529 272 L HA 0.349 4.690 4.340 0.001 0.000 0.246 272 L C -2.156 174.706 176.870 -0.014 0.000 1.394 272 L CA -1.435 53.396 54.840 -0.015 0.000 0.906 272 L CB 1.236 43.289 42.059 -0.010 0.000 1.170 272 L HN -0.166 nan 8.230 nan 0.000 0.501 273 P HA 0.136 nan 4.420 nan 0.000 0.279 273 P C -0.327 176.985 177.300 0.020 0.000 1.239 273 P CA -0.296 62.787 63.100 -0.028 0.000 0.789 273 P CB 1.725 33.466 31.700 0.068 0.000 0.933 274 Q N 1.153 120.751 119.800 -0.336 0.000 2.356 274 Q HA 0.092 4.432 4.340 0.001 0.000 0.205 274 Q C 0.211 175.799 176.000 -0.686 0.000 0.901 274 Q CA 0.858 56.457 55.803 -0.341 0.000 0.938 274 Q CB -0.252 28.261 28.738 -0.376 0.000 1.081 274 Q HN 0.774 nan 8.270 nan 0.000 0.517 275 H N -6.029 112.414 119.070 -1.045 0.000 2.868 275 H HA 0.072 4.629 4.556 0.001 0.000 0.278 275 H C 0.037 174.802 175.328 -0.939 0.000 1.454 275 H CA -0.916 54.315 56.048 -1.363 0.000 1.145 275 H CB -0.647 28.804 29.762 -0.520 0.000 1.808 275 H HN -0.180 nan 8.280 nan 0.000 0.500 276 F N 1.007 120.710 119.950 -0.411 0.000 2.095 276 F HA -0.162 4.366 4.527 0.001 0.000 0.298 276 F C 1.756 177.588 175.800 0.053 0.000 1.104 276 F CA 2.301 60.241 58.000 -0.101 0.000 1.232 276 F CB -0.444 38.498 39.000 -0.097 0.000 0.987 276 F HN 0.299 nan 8.300 nan 0.000 0.475 277 V N 0.632 120.573 119.914 0.045 0.000 2.287 277 V HA -0.336 3.785 4.120 0.001 0.000 0.248 277 V C 2.182 178.293 176.094 0.028 0.000 1.053 277 V CA 2.320 64.623 62.300 0.004 0.000 1.027 277 V CB -0.750 31.122 31.823 0.082 0.000 0.646 277 V HN 0.296 nan 8.190 nan 0.000 0.447 278 D N 0.344 120.813 120.400 0.116 0.000 2.104 278 D HA -0.154 4.487 4.640 0.001 0.000 0.194 278 D C 2.217 178.452 176.300 -0.109 0.000 0.994 278 D CA 1.761 55.717 54.000 -0.073 0.000 0.830 278 D CB -0.444 40.181 40.800 -0.292 0.000 0.959 278 D HN 0.446 nan 8.370 nan 0.000 0.452 279 A N -0.197 122.547 122.820 -0.126 0.000 1.933 279 A HA -0.221 4.100 4.320 0.001 0.000 0.218 279 A C 2.198 179.628 177.584 -0.257 0.000 1.175 279 A CA 1.241 53.202 52.037 -0.127 0.000 0.628 279 A CB -1.014 17.997 19.000 0.018 0.000 0.814 279 A HN 0.349 nan 8.150 nan 0.000 0.444 280 Y N 0.325 120.349 120.300 -0.460 0.000 2.163 280 Y HA -0.151 4.400 4.550 0.001 0.000 0.288 280 Y C 2.073 177.761 175.900 -0.354 0.000 1.136 280 Y CA 1.885 59.697 58.100 -0.480 0.000 1.147 280 Y CB -0.182 37.980 38.460 -0.498 0.000 0.987 280 Y HN 0.222 nan 8.280 nan 0.000 0.509 281 L N -0.241 120.979 121.223 -0.005 0.000 2.079 281 L HA -0.263 4.078 4.340 0.001 0.000 0.210 281 L C 1.953 178.739 176.870 -0.140 0.000 1.081 281 L CA 1.446 56.269 54.840 -0.029 0.000 0.752 281 L CB -0.639 41.416 42.059 -0.006 0.000 0.896 281 L HN 0.217 nan 8.230 nan 0.000 0.433 282 D N -0.066 120.225 120.400 -0.182 0.000 2.133 282 D HA -0.194 4.447 4.640 0.001 0.000 0.195 282 D C 2.238 178.360 176.300 -0.297 0.000 0.997 282 D CA 1.112 54.989 54.000 -0.205 0.000 0.840 282 D CB -0.030 40.653 40.800 -0.195 0.000 0.947 282 D HN 0.279 nan 8.370 nan 0.000 0.452 283 E N -0.343 119.558 120.200 -0.497 0.000 2.152 283 E HA -0.056 4.295 4.350 0.001 0.000 0.192 283 E C 2.216 178.460 176.600 -0.593 0.000 0.983 283 E CA 0.386 56.339 56.400 -0.745 0.000 0.818 283 E CB -0.122 28.650 29.700 -1.546 0.000 0.758 283 E HN 0.421 nan 8.360 nan 0.000 0.467 284 M N 0.754 120.087 119.600 -0.446 0.000 2.213 284 M HA -0.161 4.319 4.480 0.001 0.000 0.263 284 M C 1.538 177.774 176.300 -0.106 0.000 1.062 284 M CA 1.121 56.318 55.300 -0.172 0.000 1.105 284 M CB -0.199 32.377 32.600 -0.039 0.000 1.385 284 M HN -0.094 nan 8.290 nan 0.000 0.417 285 D N 0.499 120.824 120.400 -0.126 0.000 2.084 285 D HA -0.156 4.485 4.640 0.001 0.000 0.194 285 D C 1.897 178.146 176.300 -0.086 0.000 0.990 285 D CA 1.368 55.316 54.000 -0.087 0.000 0.826 285 D CB -0.363 40.385 40.800 -0.087 0.000 0.971 285 D HN 0.386 nan 8.370 nan 0.000 0.453 286 Q N -0.508 119.218 119.800 -0.123 0.000 2.437 286 Q HA 0.077 4.418 4.340 0.001 0.000 0.210 286 Q C 1.586 177.545 176.000 -0.068 0.000 0.972 286 Q CA 1.064 56.807 55.803 -0.100 0.000 0.903 286 Q CB 0.111 28.771 28.738 -0.129 0.000 0.967 286 Q HN 0.224 nan 8.270 nan 0.000 0.486 287 G N -0.536 108.228 108.800 -0.059 0.000 3.453 287 G HA2 0.027 3.988 3.960 0.001 0.000 0.263 287 G HA3 0.027 3.988 3.960 0.001 0.000 0.263 287 G C 0.756 175.663 174.900 0.011 0.000 1.060 287 G CA -0.346 44.753 45.100 -0.001 0.000 0.793 287 G HN 0.077 nan 8.290 nan 0.000 0.532 288 K N 0.759 121.156 120.400 -0.006 0.000 2.103 288 K HA -0.091 4.230 4.320 0.001 0.000 0.207 288 K C 1.746 178.352 176.600 0.009 0.000 1.048 288 K CA 1.112 57.401 56.287 0.004 0.000 0.930 288 K CB 0.083 32.579 32.500 -0.006 0.000 0.716 288 K HN 0.154 nan 8.250 nan 0.000 0.444 289 N N 0.809 119.511 118.700 0.004 0.000 2.395 289 N HA -0.091 4.649 4.740 0.001 0.000 0.175 289 N C 0.259 175.776 175.510 0.012 0.000 1.029 289 N CA 0.540 53.593 53.050 0.006 0.000 0.897 289 N CB -0.077 38.410 38.487 -0.000 0.000 0.991 289 N HN 0.135 nan 8.380 nan 0.000 0.441 290 D N 1.963 122.372 120.400 0.015 0.000 2.344 290 D HA 0.080 4.721 4.640 0.001 0.000 0.253 290 D C -1.690 174.629 176.300 0.031 0.000 1.255 290 D CA -1.667 52.347 54.000 0.022 0.000 0.894 290 D CB 1.604 42.420 40.800 0.025 0.000 1.067 290 D HN 0.086 nan 8.370 nan 0.000 0.492 291 P HA -0.045 nan 4.420 nan 0.000 0.224 291 P C 1.158 178.481 177.300 0.039 0.000 1.157 291 P CA 0.455 63.575 63.100 0.034 0.000 0.799 291 P CB 0.110 31.826 31.700 0.028 0.000 0.809 292 S N -1.634 114.086 115.700 0.033 0.000 2.555 292 S HA 0.013 4.483 4.470 0.001 0.000 0.230 292 S C 1.154 175.774 174.600 0.034 0.000 0.978 292 S CA -0.155 58.064 58.200 0.031 0.000 0.934 292 S CB -1.257 61.957 63.200 0.024 0.000 0.766 292 S HN 0.059 nan 8.310 nan 0.000 0.533 293 S N 2.389 118.117 115.700 0.047 0.000 2.626 293 S HA 0.078 4.549 4.470 0.001 0.000 0.303 293 S C 1.403 176.037 174.600 0.056 0.000 1.256 293 S CA 0.481 58.721 58.200 0.067 0.000 1.069 293 S CB 0.394 63.663 63.200 0.114 0.000 0.807 293 S HN 0.670 nan 8.310 nan 0.000 0.500 294 T N 3.138 117.672 114.554 -0.033 0.000 3.065 294 T HA 0.226 4.577 4.350 0.001 0.000 0.252 294 T C 0.397 175.105 174.700 0.013 0.000 1.099 294 T CA -0.128 61.953 62.100 -0.031 0.000 1.063 294 T CB -0.385 68.439 68.868 -0.073 0.000 0.948 294 T HN 0.460 nan 8.240 nan 0.000 0.506 295 F N 3.561 123.543 119.950 0.055 0.000 2.495 295 F HA 0.474 5.001 4.527 0.001 0.000 0.365 295 F C 1.113 177.022 175.800 0.182 0.000 1.090 295 F CA -0.151 57.863 58.000 0.024 0.000 1.235 295 F CB 0.633 39.419 39.000 -0.357 0.000 1.119 295 F HN 0.292 nan 8.300 nan 0.000 0.562 296 S N 2.380 118.408 115.700 0.547 0.000 2.625 296 S HA 0.327 4.798 4.470 0.001 0.000 0.271 296 S C 0.320 175.111 174.600 0.318 0.000 1.161 296 S CA -1.087 57.325 58.200 0.355 0.000 0.820 296 S CB 1.814 65.160 63.200 0.242 0.000 1.137 296 S HN 0.665 nan 8.310 nan 0.000 0.470 297 K N 0.370 120.864 120.400 0.156 0.000 2.097 297 K HA -0.120 4.200 4.320 0.001 0.000 0.206 297 K C 1.394 177.944 176.600 -0.084 0.000 1.049 297 K CA 2.049 58.352 56.287 0.028 0.000 0.933 297 K CB -0.308 32.202 32.500 0.017 0.000 0.717 297 K HN 0.698 nan 8.250 nan 0.000 0.442 298 E N 0.539 120.711 120.200 -0.046 0.000 2.047 298 E HA -0.128 4.222 4.350 0.001 0.000 0.191 298 E C 1.704 178.079 176.600 -0.374 0.000 0.987 298 E CA 1.159 57.426 56.400 -0.220 0.000 0.799 298 E CB -0.175 29.519 29.700 -0.010 0.000 0.752 298 E HN 0.243 nan 8.360 nan 0.000 0.449 299 N N 0.289 119.020 118.700 0.052 0.000 2.443 299 N HA -0.103 4.638 4.740 0.001 0.000 0.184 299 N C 1.477 177.065 175.510 0.131 0.000 1.037 299 N CA 0.425 53.624 53.050 0.249 0.000 0.896 299 N CB -0.038 38.712 38.487 0.438 0.000 0.959 299 N HN 0.109 nan 8.380 nan 0.000 0.442 300 L N 0.707 121.799 121.223 -0.219 0.000 2.095 300 L HA 0.135 4.476 4.340 0.001 0.000 0.204 300 L C 1.802 178.512 176.870 -0.267 0.000 1.080 300 L CA 1.115 55.567 54.840 -0.647 0.000 0.759 300 L CB -0.445 41.098 42.059 -0.860 0.000 0.914 300 L HN 0.024 nan 8.230 nan 0.000 0.439 301 I N -1.321 119.055 120.570 -0.322 0.000 2.252 301 I HA -0.274 3.897 4.170 0.001 0.000 0.245 301 I C 2.103 178.160 176.117 -0.100 0.000 1.102 301 I CA 1.015 62.115 61.300 -0.334 0.000 1.385 301 I CB -0.381 37.170 38.000 -0.749 0.000 1.064 301 I HN 0.140 nan 8.210 nan 0.000 0.414 302 F N 0.975 120.955 119.950 0.050 0.000 2.113 302 F HA -0.160 4.368 4.527 0.001 0.000 0.297 302 F C 2.831 178.706 175.800 0.124 0.000 1.103 302 F CA 1.053 59.117 58.000 0.106 0.000 1.248 302 F CB -1.383 37.678 39.000 0.102 0.000 0.999 302 F HN -0.044 nan 8.300 nan 0.000 0.475 303 S N 0.123 116.014 115.700 0.318 0.000 2.359 303 S HA -0.151 4.320 4.470 0.001 0.000 0.224 303 S C 2.413 177.149 174.600 0.228 0.000 1.035 303 S CA 1.390 59.771 58.200 0.302 0.000 1.018 303 S CB -0.740 62.755 63.200 0.491 0.000 0.876 303 S HN 0.143 nan 8.310 nan 0.000 0.448 304 V N 1.722 121.770 119.914 0.225 0.000 2.295 304 V HA -0.147 3.973 4.120 0.001 0.000 0.246 304 V C 2.668 178.895 176.094 0.223 0.000 1.049 304 V CA 1.981 64.388 62.300 0.179 0.000 1.024 304 V CB -1.562 30.377 31.823 0.194 0.000 0.648 304 V HN 0.593 nan 8.190 nan 0.000 0.447 305 G N -0.677 108.303 108.800 0.299 0.000 2.476 305 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 305 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 305 G C 1.465 176.609 174.900 0.407 0.000 1.164 305 G CA 1.104 46.505 45.100 0.503 0.000 0.768 305 G HN 0.571 nan 8.290 nan 0.000 0.560 306 E N -0.052 120.316 120.200 0.279 0.000 2.051 306 E HA -0.052 4.299 4.350 0.001 0.000 0.192 306 E C 2.629 179.248 176.600 0.031 0.000 0.991 306 E CA 0.709 57.182 56.400 0.122 0.000 0.799 306 E CB -0.220 29.547 29.700 0.110 0.000 0.748 306 E HN 0.394 nan 8.360 nan 0.000 0.449 307 L N 0.595 121.848 121.223 0.049 0.000 2.012 307 L HA -0.221 4.120 4.340 0.001 0.000 0.210 307 L C 2.459 179.363 176.870 0.055 0.000 1.073 307 L CA 1.068 55.922 54.840 0.024 0.000 0.748 307 L CB -0.344 41.718 42.059 0.004 0.000 0.891 307 L HN 0.181 nan 8.230 nan 0.000 0.431 308 I N -0.867 119.756 120.570 0.087 0.000 2.252 308 I HA -0.281 3.890 4.170 0.001 0.000 0.245 308 I C 2.363 178.471 176.117 -0.015 0.000 1.102 308 I CA 1.093 62.465 61.300 0.121 0.000 1.385 308 I CB -0.022 38.133 38.000 0.258 0.000 1.064 308 I HN 0.203 nan 8.210 nan 0.000 0.414 309 I N 0.626 121.063 120.570 -0.221 0.000 2.617 309 I HA -0.078 4.093 4.170 0.001 0.000 0.256 309 I C 2.412 178.372 176.117 -0.262 0.000 1.167 309 I CA 1.049 62.062 61.300 -0.479 0.000 1.469 309 I CB -0.440 36.792 38.000 -1.280 0.000 1.098 309 I HN 0.086 nan 8.210 nan 0.000 0.436 310 A N 0.040 122.765 122.820 -0.159 0.000 1.898 310 A HA -0.001 4.320 4.320 0.001 0.000 0.216 310 A C 2.394 179.959 177.584 -0.031 0.000 1.181 310 A CA 1.512 53.497 52.037 -0.087 0.000 0.620 310 A CB -1.519 17.445 19.000 -0.059 0.000 0.819 310 A HN 0.441 nan 8.150 nan 0.000 0.442 311 G N -1.116 107.685 108.800 0.003 0.000 2.414 311 G HA2 -0.098 3.863 3.960 0.001 0.000 0.215 311 G HA3 -0.098 3.863 3.960 0.001 0.000 0.215 311 G C 1.590 176.513 174.900 0.037 0.000 1.188 311 G CA 1.630 46.764 45.100 0.055 0.000 0.783 311 G HN 0.422 nan 8.290 nan 0.000 0.537 312 T N 0.687 115.250 114.554 0.015 0.000 2.770 312 T HA -0.007 4.343 4.350 0.001 0.000 0.263 312 T C 2.243 176.925 174.700 -0.030 0.000 1.039 312 T CA 1.162 63.265 62.100 0.005 0.000 1.142 312 T CB -0.093 68.789 68.868 0.022 0.000 0.868 312 T HN 0.100 nan 8.240 nan 0.000 0.435 313 E N 1.100 121.262 120.200 -0.063 0.000 2.038 313 E HA -0.136 4.214 4.350 0.001 0.000 0.195 313 E C 2.742 179.330 176.600 -0.021 0.000 1.000 313 E CA 1.968 58.333 56.400 -0.059 0.000 0.803 313 E CB -0.642 29.004 29.700 -0.090 0.000 0.750 313 E HN 0.712 nan 8.360 nan 0.000 0.448 314 T N -1.704 112.844 114.554 -0.010 0.000 2.706 314 T HA -0.069 4.281 4.350 0.001 0.000 0.255 314 T C 2.125 176.841 174.700 0.027 0.000 1.048 314 T CA 1.911 64.018 62.100 0.012 0.000 1.153 314 T CB -0.933 67.945 68.868 0.016 0.000 0.865 314 T HN -0.015 nan 8.240 nan 0.000 0.414 315 T N 2.106 116.682 114.554 0.036 0.000 2.665 315 T HA -0.142 4.209 4.350 0.001 0.000 0.268 315 T C 2.236 176.935 174.700 -0.002 0.000 1.035 315 T CA 2.055 64.178 62.100 0.038 0.000 1.151 315 T CB -1.257 67.643 68.868 0.054 0.000 0.862 315 T HN 0.532 nan 8.240 nan 0.000 0.438 316 T N 2.600 117.135 114.554 -0.031 0.000 2.665 316 T HA -0.162 4.189 4.350 0.001 0.000 0.268 316 T C 2.041 176.731 174.700 -0.017 0.000 1.035 316 T CA 1.332 63.396 62.100 -0.060 0.000 1.151 316 T CB -0.441 68.390 68.868 -0.062 0.000 0.862 316 T HN 0.344 nan 8.240 nan 0.000 0.438 317 N N 0.711 119.421 118.700 0.017 0.000 2.142 317 N HA -0.039 4.702 4.740 0.001 0.000 0.186 317 N C 2.041 177.654 175.510 0.171 0.000 1.023 317 N CA 0.659 53.745 53.050 0.061 0.000 0.852 317 N CB -0.773 37.782 38.487 0.113 0.000 0.998 317 N HN 0.196 nan 8.380 nan 0.000 0.424 318 V N 2.079 122.081 119.914 0.146 0.000 2.250 318 V HA -0.236 3.885 4.120 0.001 0.000 0.250 318 V C 2.439 178.604 176.094 0.119 0.000 1.060 318 V CA 1.451 63.833 62.300 0.136 0.000 1.030 318 V CB -0.594 31.250 31.823 0.035 0.000 0.643 318 V HN 0.247 nan 8.190 nan 0.000 0.445 319 L N -0.920 120.344 121.223 0.069 0.000 2.083 319 L HA -0.178 4.163 4.340 0.001 0.000 0.209 319 L C 2.771 179.709 176.870 0.114 0.000 1.083 319 L CA 1.616 56.505 54.840 0.081 0.000 0.752 319 L CB -0.538 41.546 42.059 0.043 0.000 0.899 319 L HN 0.248 nan 8.230 nan 0.000 0.433 320 R N -1.089 119.456 120.500 0.074 0.000 2.075 320 R HA -0.173 4.168 4.340 0.001 0.000 0.232 320 R C 2.146 178.491 176.300 0.075 0.000 1.126 320 R CA 1.807 57.940 56.100 0.054 0.000 0.963 320 R CB -0.400 29.862 30.300 -0.063 0.000 0.858 320 R HN 0.360 nan 8.270 nan 0.000 0.435 321 W N 0.641 122.015 121.300 0.123 0.000 2.363 321 W HA -0.138 4.522 4.660 0.001 0.000 0.296 321 W C 2.536 179.147 176.519 0.153 0.000 1.212 321 W CA 0.961 58.391 57.345 0.142 0.000 1.260 321 W CB -0.198 29.310 29.460 0.079 0.000 1.131 321 W HN 0.192 nan 8.180 nan 0.000 0.530 322 A N 0.291 123.281 122.820 0.283 0.000 1.873 322 A HA -0.171 4.150 4.320 0.001 0.000 0.215 322 A C 1.822 179.568 177.584 0.269 0.000 1.186 322 A CA 1.652 53.800 52.037 0.186 0.000 0.616 322 A CB -0.962 18.012 19.000 -0.043 0.000 0.823 322 A HN 0.264 nan 8.150 nan 0.000 0.442 323 I N -0.838 119.858 120.570 0.210 0.000 2.163 323 I HA -0.256 3.915 4.170 0.001 0.000 0.243 323 I C 2.435 178.536 176.117 -0.026 0.000 1.085 323 I CA 1.269 62.619 61.300 0.083 0.000 1.347 323 I CB -0.332 37.635 38.000 -0.055 0.000 1.044 323 I HN 0.372 nan 8.210 nan 0.000 0.408 324 L N 0.511 121.700 121.223 -0.057 0.000 1.990 324 L HA -0.257 4.084 4.340 0.001 0.000 0.213 324 L C 2.259 179.049 176.870 -0.134 0.000 1.072 324 L CA 2.101 56.769 54.840 -0.287 0.000 0.755 324 L CB -0.761 41.046 42.059 -0.420 0.000 0.889 324 L HN 0.074 nan 8.230 nan 0.000 0.432 325 F N -1.737 118.150 119.950 -0.105 0.000 2.234 325 F HA -0.225 4.303 4.527 0.001 0.000 0.299 325 F C 2.292 178.046 175.800 -0.077 0.000 1.087 325 F CA 0.830 58.731 58.000 -0.166 0.000 1.340 325 F CB -0.258 38.579 39.000 -0.272 0.000 1.031 325 F HN 0.100 nan 8.300 nan 0.000 0.500 326 M N -0.476 119.220 119.600 0.159 0.000 2.175 326 M HA -0.080 4.401 4.480 0.001 0.000 0.264 326 M C 2.486 178.735 176.300 -0.085 0.000 1.063 326 M CA 1.389 56.765 55.300 0.126 0.000 1.119 326 M CB -1.624 31.074 32.600 0.164 0.000 1.377 326 M HN 0.164 nan 8.290 nan 0.000 0.415 327 A N -0.083 122.554 122.820 -0.306 0.000 1.968 327 A HA -0.083 4.237 4.320 0.001 0.000 0.217 327 A C 2.151 179.433 177.584 -0.503 0.000 1.169 327 A CA 0.910 52.559 52.037 -0.646 0.000 0.638 327 A CB -0.664 17.526 19.000 -1.350 0.000 0.812 327 A HN 0.374 nan 8.150 nan 0.000 0.446 328 L N -1.467 119.558 121.223 -0.330 0.000 2.093 328 L HA -0.002 4.339 4.340 0.001 0.000 0.208 328 L C 0.255 176.864 176.870 -0.434 0.000 1.085 328 L CA 1.495 56.118 54.840 -0.362 0.000 0.755 328 L CB -0.620 40.934 42.059 -0.842 0.000 0.904 328 L HN 0.494 nan 8.230 nan 0.000 0.435 329 Y N -0.046 120.261 120.300 0.013 0.000 2.747 329 Y HA 0.294 4.845 4.550 0.001 0.000 0.362 329 Y C -1.434 174.524 175.900 0.097 0.000 1.026 329 Y CA -1.962 56.184 58.100 0.077 0.000 1.135 329 Y CB 0.288 38.834 38.460 0.143 0.000 1.175 329 Y HN 0.103 nan 8.280 nan 0.000 0.643 330 P HA -0.224 nan 4.420 nan 0.000 0.217 330 P C 0.881 178.286 177.300 0.176 0.000 1.148 330 P CA 1.507 64.699 63.100 0.154 0.000 0.828 330 P CB 0.536 32.320 31.700 0.139 0.000 0.783 331 N N -0.175 118.634 118.700 0.181 0.000 2.205 331 N HA -0.090 4.651 4.740 0.001 0.000 0.186 331 N C 1.927 177.546 175.510 0.181 0.000 1.015 331 N CA 0.948 54.088 53.050 0.150 0.000 0.862 331 N CB -0.596 37.967 38.487 0.125 0.000 0.986 331 N HN 0.280 nan 8.380 nan 0.000 0.429 332 I N 0.741 121.474 120.570 0.271 0.000 2.333 332 I HA -0.212 3.958 4.170 0.001 0.000 0.246 332 I C 2.550 178.882 176.117 0.360 0.000 1.106 332 I CA 0.628 62.153 61.300 0.375 0.000 1.411 332 I CB -0.300 37.985 38.000 0.475 0.000 1.082 332 I HN 0.168 nan 8.210 nan 0.000 0.420 333 Q N 1.416 121.385 119.800 0.282 0.000 2.045 333 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 333 Q C 2.214 178.312 176.000 0.164 0.000 0.991 333 Q CA 2.371 58.296 55.803 0.205 0.000 0.851 333 Q CB -0.403 28.409 28.738 0.124 0.000 0.911 333 Q HN 0.531 nan 8.270 nan 0.000 0.418 334 G N 0.152 109.041 108.800 0.149 0.000 2.422 334 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 334 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 334 G C 1.390 176.335 174.900 0.076 0.000 1.146 334 G CA 0.622 45.784 45.100 0.104 0.000 0.769 334 G HN 0.303 nan 8.290 nan 0.000 0.547 335 Q N 0.054 119.899 119.800 0.075 0.000 2.167 335 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 335 Q C 2.966 179.012 176.000 0.077 0.000 0.970 335 Q CA 0.765 56.547 55.803 -0.035 0.000 0.855 335 Q CB -0.364 28.194 28.738 -0.301 0.000 0.911 335 Q HN 0.430 nan 8.270 nan 0.000 0.438 336 V N 0.962 121.030 119.914 0.256 0.000 2.270 336 V HA -0.275 3.846 4.120 0.001 0.000 0.245 336 V C 2.312 178.478 176.094 0.120 0.000 1.043 336 V CA 1.794 64.260 62.300 0.276 0.000 1.014 336 V CB -0.537 31.436 31.823 0.250 0.000 0.645 336 V HN 0.364 nan 8.190 nan 0.000 0.447 337 Q N -0.153 119.692 119.800 0.075 0.000 2.135 337 Q HA -0.280 4.060 4.340 0.001 0.000 0.204 337 Q C 2.341 178.370 176.000 0.049 0.000 0.981 337 Q CA 2.065 57.894 55.803 0.043 0.000 0.856 337 Q CB -0.274 28.490 28.738 0.043 0.000 0.902 337 Q HN 0.611 nan 8.270 nan 0.000 0.425 338 K N 0.995 121.422 120.400 0.044 0.000 2.032 338 K HA -0.237 4.084 4.320 0.001 0.000 0.209 338 K C 1.885 178.505 176.600 0.033 0.000 1.048 338 K CA 1.547 57.851 56.287 0.028 0.000 0.927 338 K CB -0.001 32.498 32.500 -0.000 0.000 0.712 338 K HN 0.155 nan 8.250 nan 0.000 0.441 339 E N 0.404 120.633 120.200 0.048 0.000 2.077 339 E HA -0.168 4.183 4.350 0.001 0.000 0.193 339 E C 2.040 178.680 176.600 0.067 0.000 0.989 339 E CA 1.214 57.653 56.400 0.065 0.000 0.800 339 E CB -0.040 29.731 29.700 0.118 0.000 0.746 339 E HN 0.370 nan 8.360 nan 0.000 0.452 340 I N 1.505 122.112 120.570 0.062 0.000 2.163 340 I HA -0.303 3.868 4.170 0.001 0.000 0.243 340 I C 1.859 178.003 176.117 0.045 0.000 1.085 340 I CA 1.293 62.620 61.300 0.045 0.000 1.347 340 I CB -0.288 37.724 38.000 0.019 0.000 1.044 340 I HN 0.081 nan 8.210 nan 0.000 0.408 341 D N 0.642 121.072 120.400 0.050 0.000 2.144 341 D HA -0.165 4.476 4.640 0.001 0.000 0.199 341 D C 2.011 178.328 176.300 0.028 0.000 0.984 341 D CA 1.014 55.041 54.000 0.044 0.000 0.834 341 D CB -0.366 40.471 40.800 0.061 0.000 0.955 341 D HN 0.167 nan 8.370 nan 0.000 0.465 342 L N 0.387 121.628 121.223 0.030 0.000 2.017 342 L HA -0.143 4.198 4.340 0.001 0.000 0.208 342 L C 1.953 178.841 176.870 0.029 0.000 1.073 342 L CA 1.399 56.254 54.840 0.024 0.000 0.745 342 L CB -0.132 41.940 42.059 0.022 0.000 0.894 342 L HN -0.019 nan 8.230 nan 0.000 0.432 343 I N -1.494 119.100 120.570 0.041 0.000 2.429 343 I HA -0.094 4.077 4.170 0.001 0.000 0.247 343 I C 2.244 178.387 176.117 0.044 0.000 1.099 343 I CA 1.284 62.613 61.300 0.048 0.000 1.422 343 I CB -0.820 37.222 38.000 0.071 0.000 1.112 343 I HN 0.290 nan 8.210 nan 0.000 0.430 344 M N -0.191 119.433 119.600 0.041 0.000 2.510 344 M HA 0.261 4.742 4.480 0.001 0.000 0.256 344 M C 1.011 177.316 176.300 0.009 0.000 1.132 344 M CA 0.376 55.695 55.300 0.031 0.000 1.105 344 M CB 0.304 32.923 32.600 0.031 0.000 1.375 344 M HN 0.329 nan 8.290 nan 0.000 0.477 345 G N 1.372 110.175 108.800 0.004 0.000 2.855 345 G HA2 -0.197 3.764 3.960 0.001 0.000 0.352 345 G HA3 -0.197 3.764 3.960 0.001 0.000 0.352 345 G C -2.322 172.547 174.900 -0.052 0.000 1.415 345 G CA -0.523 44.562 45.100 -0.025 0.000 0.871 345 G HN 0.153 nan 8.290 nan 0.000 0.543 346 P HA -0.009 nan 4.420 nan 0.000 0.219 346 P C 0.779 177.925 177.300 -0.257 0.000 1.150 346 P CA 1.578 64.453 63.100 -0.375 0.000 0.814 346 P CB 0.094 31.360 31.700 -0.722 0.000 0.787 347 N N -0.983 117.622 118.700 -0.159 0.000 2.241 347 N HA 0.117 4.858 4.740 0.001 0.000 0.238 347 N C 0.860 176.341 175.510 -0.049 0.000 1.244 347 N CA -0.033 52.961 53.050 -0.094 0.000 0.880 347 N CB 1.003 39.430 38.487 -0.100 0.000 1.179 347 N HN 0.047 nan 8.380 nan 0.000 0.513 348 G N 0.833 109.612 108.800 -0.035 0.000 2.483 348 G HA2 0.146 4.107 3.960 0.001 0.000 0.248 348 G HA3 0.146 4.107 3.960 0.001 0.000 0.248 348 G C 0.003 174.903 174.900 -0.001 0.000 1.248 348 G CA -0.222 44.870 45.100 -0.012 0.000 0.838 348 G HN 0.012 nan 8.290 nan 0.000 0.566 349 K N 2.609 123.013 120.400 0.006 0.000 2.383 349 K HA 0.170 4.491 4.320 0.001 0.000 0.286 349 K C -1.951 174.669 176.600 0.034 0.000 1.051 349 K CA -1.006 55.289 56.287 0.013 0.000 0.974 349 K CB 0.750 33.258 32.500 0.012 0.000 0.968 349 K HN 0.269 nan 8.250 nan 0.000 0.475 350 P HA -0.046 nan 4.420 nan 0.000 0.268 350 P C -0.894 176.481 177.300 0.124 0.000 1.208 350 P CA -0.085 63.050 63.100 0.058 0.000 0.777 350 P CB 0.846 32.545 31.700 -0.002 0.000 0.875 351 S N 1.069 116.903 115.700 0.224 0.000 2.536 351 S HA 0.201 4.672 4.470 0.001 0.000 0.271 351 S C 0.256 175.113 174.600 0.429 0.000 1.134 351 S CA -0.819 57.544 58.200 0.271 0.000 0.897 351 S CB 0.368 63.676 63.200 0.179 0.000 1.094 351 S HN 0.676 nan 8.310 nan 0.000 0.473 352 W N 3.525 124.939 121.300 0.189 0.000 2.342 352 W HA -0.153 4.508 4.660 0.001 0.000 0.297 352 W C 0.402 176.922 176.519 0.002 0.000 1.213 352 W CA 1.874 59.272 57.345 0.089 0.000 1.251 352 W CB -0.103 29.395 29.460 0.062 0.000 1.136 352 W HN 0.797 nan 8.180 nan 0.000 0.526 353 D N 0.486 120.911 120.400 0.042 0.000 2.219 353 D HA -0.163 4.478 4.640 0.001 0.000 0.205 353 D C 1.489 177.723 176.300 -0.110 0.000 0.970 353 D CA 1.358 55.308 54.000 -0.082 0.000 0.851 353 D CB -0.650 40.173 40.800 0.039 0.000 0.943 353 D HN 0.165 nan 8.370 nan 0.000 0.488 354 D N 0.467 120.865 120.400 -0.003 0.000 2.264 354 D HA -0.129 4.512 4.640 0.001 0.000 0.208 354 D C 1.847 178.128 176.300 -0.031 0.000 0.966 354 D CA 0.395 54.427 54.000 0.053 0.000 0.864 354 D CB -0.041 40.879 40.800 0.200 0.000 0.933 354 D HN 0.302 nan 8.370 nan 0.000 0.499 355 K N 0.926 121.106 120.400 -0.368 0.000 2.032 355 K HA -0.244 4.077 4.320 0.001 0.000 0.218 355 K C 2.163 178.568 176.600 -0.325 0.000 1.054 355 K CA 2.183 58.039 56.287 -0.717 0.000 0.941 355 K CB -0.279 31.393 32.500 -1.380 0.000 0.720 355 K HN 0.358 nan 8.250 nan 0.000 0.449 356 C N 0.370 119.505 119.300 -0.275 0.000 2.472 356 C HA 0.160 4.620 4.460 0.001 0.000 0.278 356 C C 1.514 176.535 174.990 0.051 0.000 1.447 356 C CA -0.077 58.881 59.018 -0.101 0.000 1.773 356 C CB -0.673 27.004 27.740 -0.105 0.000 1.793 356 C HN 0.280 nan 8.230 nan 0.000 0.544 357 K N 0.495 120.919 120.400 0.040 0.000 2.437 357 K HA 0.284 4.605 4.320 0.001 0.000 0.198 357 K C 0.286 176.940 176.600 0.090 0.000 1.024 357 K CA 0.335 56.678 56.287 0.092 0.000 1.148 357 K CB 0.035 32.579 32.500 0.075 0.000 0.860 357 K HN 0.619 nan 8.250 nan 0.000 0.515 358 M N 1.123 120.782 119.600 0.097 0.000 3.053 358 M HA 0.138 4.619 4.480 0.001 0.000 0.293 358 M C -2.111 174.274 176.300 0.142 0.000 1.470 358 M CA -1.298 54.090 55.300 0.146 0.000 0.582 358 M CB 1.367 34.117 32.600 0.250 0.000 1.435 358 M HN -0.197 nan 8.290 nan 0.000 0.451 359 P HA -0.202 nan 4.420 nan 0.000 0.217 359 P C 1.172 178.587 177.300 0.192 0.000 1.150 359 P CA 1.515 64.710 63.100 0.158 0.000 0.832 359 P CB 0.095 31.866 31.700 0.118 0.000 0.787 360 Y N 1.219 121.574 120.300 0.093 0.000 2.200 360 Y HA -0.134 4.417 4.550 0.001 0.000 0.290 360 Y C 2.431 178.427 175.900 0.161 0.000 1.137 360 Y CA 2.001 60.170 58.100 0.114 0.000 1.163 360 Y CB -1.031 37.480 38.460 0.084 0.000 0.988 360 Y HN -0.095 nan 8.280 nan 0.000 0.518 361 T N -0.150 114.537 114.554 0.223 0.000 2.708 361 T HA -0.210 4.141 4.350 0.001 0.000 0.266 361 T C 1.750 176.542 174.700 0.154 0.000 1.037 361 T CA 1.697 63.949 62.100 0.254 0.000 1.146 361 T CB -0.252 68.830 68.868 0.355 0.000 0.865 361 T HN 0.419 nan 8.240 nan 0.000 0.435 362 E N 0.466 120.708 120.200 0.070 0.000 2.110 362 E HA -0.106 4.245 4.350 0.001 0.000 0.193 362 E C 2.401 178.895 176.600 -0.176 0.000 0.988 362 E CA 0.851 57.167 56.400 -0.140 0.000 0.804 362 E CB -0.142 29.269 29.700 -0.481 0.000 0.745 362 E HN 0.470 nan 8.360 nan 0.000 0.458 363 A N 0.374 123.159 122.820 -0.057 0.000 1.877 363 A HA -0.165 4.156 4.320 0.001 0.000 0.216 363 A C 2.397 179.908 177.584 -0.121 0.000 1.186 363 A CA 1.465 53.521 52.037 0.032 0.000 0.620 363 A CB -0.738 18.275 19.000 0.021 0.000 0.822 363 A HN 0.192 nan 8.150 nan 0.000 0.443 364 V N 0.208 119.989 119.914 -0.223 0.000 2.255 364 V HA -0.283 3.837 4.120 0.001 0.000 0.247 364 V C 2.601 178.618 176.094 -0.129 0.000 1.051 364 V CA 2.059 64.268 62.300 -0.153 0.000 1.018 364 V CB -0.848 30.971 31.823 -0.005 0.000 0.641 364 V HN 0.573 nan 8.190 nan 0.000 0.445 365 L N -0.834 120.283 121.223 -0.176 0.000 2.012 365 L HA -0.250 4.091 4.340 0.001 0.000 0.210 365 L C 2.573 179.271 176.870 -0.287 0.000 1.073 365 L CA 2.019 56.699 54.840 -0.267 0.000 0.748 365 L CB -0.828 41.094 42.059 -0.229 0.000 0.891 365 L HN 0.410 nan 8.230 nan 0.000 0.431 366 H N -1.141 117.707 119.070 -0.370 0.000 2.421 366 H HA -0.186 4.371 4.556 0.001 0.000 0.298 366 H C 2.146 177.227 175.328 -0.412 0.000 1.087 366 H CA 1.399 57.139 56.048 -0.513 0.000 1.330 366 H CB 0.083 29.274 29.762 -0.951 0.000 1.388 366 H HN 0.232 nan 8.280 nan 0.000 0.526 367 E N 0.261 120.377 120.200 -0.140 0.000 2.216 367 E HA -0.067 4.283 4.350 0.001 0.000 0.192 367 E C 1.965 178.554 176.600 -0.018 0.000 0.988 367 E CA 0.452 56.856 56.400 0.007 0.000 0.834 367 E CB -0.086 29.487 29.700 -0.213 0.000 0.772 367 E HN 0.234 nan 8.360 nan 0.000 0.479 368 V N 0.651 120.559 119.914 -0.010 0.000 2.307 368 V HA -0.228 3.893 4.120 0.001 0.000 0.245 368 V C 2.399 178.413 176.094 -0.133 0.000 1.045 368 V CA 1.559 63.839 62.300 -0.033 0.000 1.024 368 V CB -0.508 31.266 31.823 -0.082 0.000 0.651 368 V HN 0.303 nan 8.190 nan 0.000 0.449 369 L N -0.348 120.759 121.223 -0.194 0.000 2.012 369 L HA -0.217 4.124 4.340 0.001 0.000 0.210 369 L C 2.780 179.451 176.870 -0.331 0.000 1.073 369 L CA 1.975 56.656 54.840 -0.265 0.000 0.748 369 L CB -0.638 41.229 42.059 -0.319 0.000 0.891 369 L HN 0.253 nan 8.230 nan 0.000 0.431 370 R N -0.522 119.775 120.500 -0.338 0.000 2.075 370 R HA -0.197 4.144 4.340 0.001 0.000 0.232 370 R C 2.289 178.460 176.300 -0.214 0.000 1.126 370 R CA 1.723 57.517 56.100 -0.510 0.000 0.963 370 R CB -0.170 29.868 30.300 -0.438 0.000 0.858 370 R HN 0.243 nan 8.270 nan 0.000 0.435 371 F N -0.563 119.257 119.950 -0.217 0.000 2.473 371 F HA 0.014 4.542 4.527 0.001 0.000 0.294 371 F C 1.711 177.471 175.800 -0.067 0.000 1.103 371 F CA 0.611 58.576 58.000 -0.058 0.000 1.442 371 F CB 0.245 39.255 39.000 0.017 0.000 1.097 371 F HN 0.028 nan 8.300 nan 0.000 0.547 372 C N 0.143 119.290 119.300 -0.255 0.000 2.674 372 C HA 0.200 4.661 4.460 0.001 0.000 0.276 372 C C 0.232 174.950 174.990 -0.453 0.000 1.300 372 C CA -0.288 58.353 59.018 -0.629 0.000 1.732 372 C CB -1.333 25.791 27.740 -1.026 0.000 2.076 372 C HN 0.469 nan 8.230 nan 0.000 0.548 373 N N 1.200 119.763 118.700 -0.229 0.000 2.614 373 N HA -0.161 4.580 4.740 0.001 0.000 0.276 373 N C 0.336 175.757 175.510 -0.148 0.000 1.119 373 N CA 0.350 53.333 53.050 -0.112 0.000 0.742 373 N CB -0.642 37.824 38.487 -0.036 0.000 0.900 373 N HN 0.412 nan 8.380 nan 0.000 0.549 374 I N 0.190 120.693 120.570 -0.111 0.000 2.208 374 I HA -0.197 3.974 4.170 0.001 0.000 0.245 374 I C 1.278 177.383 176.117 -0.020 0.000 1.097 374 I CA 1.426 62.716 61.300 -0.016 0.000 1.363 374 I CB 0.129 38.140 38.000 0.018 0.000 1.051 374 I HN 0.265 nan 8.210 nan 0.000 0.413 375 V N 2.917 122.805 119.914 -0.044 0.000 2.220 375 V HA 0.200 4.320 4.120 0.001 0.000 0.265 375 V C -1.399 174.683 176.094 -0.021 0.000 1.078 375 V CA -0.997 61.291 62.300 -0.020 0.000 0.872 375 V CB 0.333 32.153 31.823 -0.006 0.000 1.121 375 V HN 0.147 nan 8.190 nan 0.000 0.460 376 P HA -0.065 nan 4.420 nan 0.000 0.217 376 P C 0.898 178.190 177.300 -0.012 0.000 1.150 376 P CA 1.152 64.154 63.100 -0.164 0.000 0.832 376 P CB 0.568 31.935 31.700 -0.555 0.000 0.787 377 L N -1.559 119.709 121.223 0.075 0.000 2.965 377 L HA 0.380 4.721 4.340 0.001 0.000 0.254 377 L C 1.349 178.346 176.870 0.212 0.000 1.220 377 L CA -0.173 54.770 54.840 0.171 0.000 1.023 377 L CB -0.363 41.869 42.059 0.288 0.000 1.355 377 L HN 0.060 nan 8.230 nan 0.000 0.545 378 G N 1.398 110.284 108.800 0.142 0.000 2.581 378 G HA2 -0.304 3.657 3.960 0.001 0.000 0.291 378 G HA3 -0.304 3.657 3.960 0.001 0.000 0.291 378 G C -0.147 174.857 174.900 0.173 0.000 1.277 378 G CA -0.135 45.058 45.100 0.155 0.000 0.959 378 G HN 0.153 nan 8.290 nan 0.000 0.554 379 I N 0.572 121.250 120.570 0.181 0.000 2.404 379 I HA 0.363 4.533 4.170 0.001 0.000 0.293 379 I C 0.572 176.861 176.117 0.288 0.000 0.992 379 I CA -0.616 60.748 61.300 0.106 0.000 1.149 379 I CB 1.349 39.327 38.000 -0.037 0.000 1.315 379 I HN 0.390 nan 8.210 nan 0.000 0.446 380 F N 4.768 124.771 119.950 0.087 0.000 2.607 380 F HA 0.034 4.562 4.527 0.001 0.000 0.374 380 F C 1.194 177.043 175.800 0.082 0.000 1.104 380 F CA 0.094 58.181 58.000 0.145 0.000 1.296 380 F CB 0.286 39.393 39.000 0.178 0.000 1.085 380 F HN 0.488 nan 8.300 nan 0.000 0.584 381 H N 1.123 120.317 119.070 0.205 0.000 2.585 381 H HA 0.782 5.339 4.556 0.001 0.000 0.338 381 H C -0.580 174.809 175.328 0.102 0.000 1.295 381 H CA -0.889 55.230 56.048 0.118 0.000 1.356 381 H CB 1.911 31.731 29.762 0.096 0.000 1.736 381 H HN 0.664 nan 8.280 nan 0.000 0.629 382 A N 0.454 123.383 122.820 0.181 0.000 2.587 382 A HA 0.374 4.695 4.320 0.001 0.000 0.293 382 A C -0.493 177.084 177.584 -0.011 0.000 1.087 382 A CA -0.779 51.309 52.037 0.085 0.000 0.692 382 A CB 0.998 20.032 19.000 0.057 0.000 1.291 382 A HN 0.662 nan 8.150 nan 0.000 0.407 383 T N -0.028 114.461 114.554 -0.108 0.000 2.851 383 T HA 0.416 4.767 4.350 0.001 0.000 0.298 383 T C 1.041 175.634 174.700 -0.179 0.000 0.977 383 T CA 0.223 62.149 62.100 -0.290 0.000 1.126 383 T CB 0.918 69.579 68.868 -0.344 0.000 0.916 383 T HN 1.240 nan 8.240 nan 0.000 0.529 384 S N 1.015 116.595 115.700 -0.200 0.000 2.593 384 S HA 0.170 4.641 4.470 0.001 0.000 0.217 384 S C 0.325 174.879 174.600 -0.076 0.000 0.966 384 S CA -0.376 57.765 58.200 -0.099 0.000 0.914 384 S CB -0.663 62.492 63.200 -0.074 0.000 0.776 384 S HN 0.972 nan 8.310 nan 0.000 0.523 385 E N -0.617 119.510 120.200 -0.122 0.000 2.422 385 E HA 0.324 4.675 4.350 0.001 0.000 0.280 385 E C -2.199 174.339 176.600 -0.103 0.000 1.091 385 E CA -1.217 55.134 56.400 -0.082 0.000 0.849 385 E CB -0.203 29.465 29.700 -0.055 0.000 1.353 385 E HN -0.150 nan 8.360 nan 0.000 0.449 386 D N 0.539 120.906 120.400 -0.056 0.000 2.586 386 D HA 0.300 4.941 4.640 0.001 0.000 0.234 386 D C -0.600 175.667 176.300 -0.055 0.000 1.132 386 D CA 0.844 54.821 54.000 -0.038 0.000 0.860 386 D CB 0.887 41.683 40.800 -0.007 0.000 1.159 386 D HN 0.597 nan 8.370 nan 0.000 0.490 387 A N 2.122 124.908 122.820 -0.056 0.000 2.380 387 A HA 0.661 4.982 4.320 0.001 0.000 0.315 387 A C -0.820 176.787 177.584 0.038 0.000 1.101 387 A CA -0.680 51.324 52.037 -0.055 0.000 0.771 387 A CB 1.688 20.569 19.000 -0.197 0.000 1.287 387 A HN 0.301 nan 8.150 nan 0.000 0.436 388 V N 1.992 121.946 119.914 0.068 0.000 2.447 388 V HA 0.470 4.591 4.120 0.001 0.000 0.292 388 V C -0.875 175.282 176.094 0.105 0.000 1.021 388 V CA -0.401 61.949 62.300 0.084 0.000 0.850 388 V CB 1.388 33.244 31.823 0.054 0.000 1.005 388 V HN 0.678 nan 8.190 nan 0.000 0.426 389 V N 5.064 125.051 119.914 0.122 0.000 2.443 389 V HA 0.556 4.677 4.120 0.001 0.000 0.293 389 V C 0.544 176.673 176.094 0.059 0.000 1.021 389 V CA -0.961 61.398 62.300 0.099 0.000 0.848 389 V CB 1.335 33.226 31.823 0.112 0.000 0.998 389 V HN 0.894 nan 8.190 nan 0.000 0.424 390 R N 3.463 123.963 120.500 0.001 0.000 3.333 390 R HA -0.249 4.092 4.340 0.001 0.000 0.256 390 R C 1.327 177.504 176.300 -0.205 0.000 1.010 390 R CA 0.748 56.809 56.100 -0.064 0.000 0.680 390 R CB -1.519 28.765 30.300 -0.027 0.000 1.102 390 R HN 1.629 nan 8.270 nan 0.000 0.440 391 G N -1.481 107.224 108.800 -0.157 0.000 2.363 391 G HA2 -0.391 3.570 3.960 0.001 0.000 0.238 391 G HA3 -0.391 3.570 3.960 0.001 0.000 0.238 391 G C 0.132 174.912 174.900 -0.200 0.000 1.062 391 G CA 0.417 45.381 45.100 -0.227 0.000 0.629 391 G HN 0.434 nan 8.290 nan 0.000 0.514 392 Y N 1.680 121.982 120.300 0.004 0.000 2.346 392 Y HA 0.535 5.086 4.550 0.001 0.000 0.330 392 Y C 1.056 176.965 175.900 0.014 0.000 1.178 392 Y CA 0.223 58.319 58.100 -0.007 0.000 1.331 392 Y CB 1.463 39.880 38.460 -0.071 0.000 1.253 392 Y HN 0.187 nan 8.280 nan 0.000 0.529 393 S N 3.883 119.723 115.700 0.233 0.000 2.525 393 S HA 0.594 5.064 4.470 0.001 0.000 0.278 393 S C -0.837 173.885 174.600 0.204 0.000 1.234 393 S CA -0.583 57.727 58.200 0.183 0.000 1.058 393 S CB 0.052 63.359 63.200 0.178 0.000 0.983 393 S HN 0.550 nan 8.310 nan 0.000 0.495 394 I N 5.893 126.552 120.570 0.149 0.000 2.448 394 I HA 0.338 4.509 4.170 0.001 0.000 0.281 394 I C -2.498 173.682 176.117 0.104 0.000 1.027 394 I CA -2.419 58.971 61.300 0.150 0.000 1.111 394 I CB 2.075 40.121 38.000 0.076 0.000 1.236 394 I HN 0.438 nan 8.210 nan 0.000 0.452 395 P HA 0.038 nan 4.420 nan 0.000 0.271 395 P C -0.439 176.870 177.300 0.014 0.000 1.216 395 P CA -0.486 62.650 63.100 0.060 0.000 0.776 395 P CB 0.571 32.299 31.700 0.047 0.000 0.881 396 K N 2.341 122.730 120.400 -0.018 0.000 2.543 396 K HA 0.036 4.357 4.320 0.001 0.000 0.279 396 K C 1.157 177.744 176.600 -0.021 0.000 1.001 396 K CA 1.324 57.588 56.287 -0.038 0.000 1.088 396 K CB -0.905 31.578 32.500 -0.029 0.000 0.863 396 K HN 0.781 nan 8.250 nan 0.000 0.488 397 G N 2.438 111.222 108.800 -0.026 0.000 2.225 397 G HA2 -0.260 3.701 3.960 0.001 0.000 0.254 397 G HA3 -0.260 3.701 3.960 0.001 0.000 0.254 397 G C 0.129 175.036 174.900 0.011 0.000 0.988 397 G CA 0.323 45.420 45.100 -0.005 0.000 0.625 397 G HN 0.723 nan 8.290 nan 0.000 0.527 398 T N 2.767 117.333 114.554 0.020 0.000 2.908 398 T HA 0.411 4.762 4.350 0.001 0.000 0.301 398 T C 0.869 175.593 174.700 0.042 0.000 1.019 398 T CA 0.929 63.059 62.100 0.049 0.000 1.152 398 T CB 0.903 69.832 68.868 0.102 0.000 0.966 398 T HN 0.328 nan 8.240 nan 0.000 0.540 399 T N 3.603 118.177 114.554 0.033 0.000 2.902 399 T HA 0.264 4.615 4.350 0.001 0.000 0.301 399 T C 0.180 174.866 174.700 -0.024 0.000 1.012 399 T CA -0.330 61.781 62.100 0.019 0.000 1.151 399 T CB 0.253 69.105 68.868 -0.027 0.000 0.946 399 T HN 0.357 nan 8.240 nan 0.000 0.542 400 V N 5.501 125.422 119.914 0.011 0.000 2.407 400 V HA 0.396 4.517 4.120 0.001 0.000 0.291 400 V C 0.061 176.107 176.094 -0.079 0.000 1.018 400 V CA -0.773 61.518 62.300 -0.014 0.000 0.842 400 V CB 1.310 33.218 31.823 0.142 0.000 0.996 400 V HN 0.771 nan 8.190 nan 0.000 0.426 401 I N 4.551 124.984 120.570 -0.228 0.000 2.315 401 I HA 0.321 4.492 4.170 0.001 0.000 0.291 401 I C 0.655 176.688 176.117 -0.141 0.000 1.006 401 I CA -0.165 60.993 61.300 -0.237 0.000 1.265 401 I CB 1.802 39.578 38.000 -0.374 0.000 1.387 401 I HN 0.683 nan 8.210 nan 0.000 0.475 402 T N 1.667 116.189 114.554 -0.054 0.000 2.727 402 T HA 0.189 4.539 4.350 0.001 0.000 0.298 402 T C 0.127 174.819 174.700 -0.013 0.000 0.942 402 T CA -0.843 61.208 62.100 -0.083 0.000 0.997 402 T CB 0.487 69.291 68.868 -0.106 0.000 0.917 402 T HN 0.426 nan 8.240 nan 0.000 0.487 403 N N 4.152 122.841 118.700 -0.019 0.000 2.968 403 N HA 0.149 4.889 4.740 0.001 0.000 0.271 403 N C 1.075 176.604 175.510 0.032 0.000 1.174 403 N CA -0.698 52.385 53.050 0.055 0.000 1.096 403 N CB -0.508 38.035 38.487 0.094 0.000 1.403 403 N HN 0.713 nan 8.380 nan 0.000 0.522 404 L N 1.515 122.738 121.223 0.001 0.000 2.131 404 L HA -0.200 4.141 4.340 0.001 0.000 0.210 404 L C 1.826 178.580 176.870 -0.192 0.000 1.092 404 L CA 1.017 55.782 54.840 -0.124 0.000 0.759 404 L CB -0.648 41.359 42.059 -0.085 0.000 0.903 404 L HN 0.482 nan 8.230 nan 0.000 0.435 405 Y N 1.594 121.820 120.300 -0.124 0.000 2.114 405 Y HA -0.379 4.172 4.550 0.002 0.000 0.282 405 Y C 2.915 178.835 175.900 0.033 0.000 1.165 405 Y CA 1.929 59.993 58.100 -0.060 0.000 1.148 405 Y CB -0.435 37.950 38.460 -0.126 0.000 0.972 405 Y HN 0.262 nan 8.280 nan 0.000 0.504 406 S N -1.060 114.593 115.700 -0.078 0.000 2.447 406 S HA -0.117 4.354 4.470 0.001 0.000 0.233 406 S C 1.822 176.411 174.600 -0.018 0.000 1.006 406 S CA 1.161 59.300 58.200 -0.101 0.000 0.957 406 S CB -0.957 62.286 63.200 0.073 0.000 0.773 406 S HN 0.272 nan 8.310 nan 0.000 0.507 407 V N 1.690 121.571 119.914 -0.055 0.000 2.407 407 V HA -0.082 4.039 4.120 0.001 0.000 0.245 407 V C 2.258 178.444 176.094 0.152 0.000 1.041 407 V CA 1.901 64.222 62.300 0.036 0.000 1.040 407 V CB -1.009 30.789 31.823 -0.043 0.000 0.671 407 V HN 0.657 nan 8.190 nan 0.000 0.455 408 H N -1.832 117.283 119.070 0.075 0.000 2.524 408 H HA 0.037 4.594 4.556 0.001 0.000 0.282 408 H C 1.162 176.213 175.328 -0.461 0.000 1.016 408 H CA 0.909 56.829 56.048 -0.212 0.000 1.270 408 H CB 0.114 29.783 29.762 -0.155 0.000 1.394 408 H HN 0.396 nan 8.280 nan 0.000 0.568 409 F N 0.379 120.166 119.950 -0.272 0.000 2.668 409 F HA 0.107 4.634 4.527 0.002 0.000 0.301 409 F C 0.464 176.267 175.800 0.005 0.000 1.106 409 F CA -0.655 57.209 58.000 -0.227 0.000 1.289 409 F CB 0.476 39.197 39.000 -0.464 0.000 1.006 409 F HN -0.019 nan 8.300 nan 0.000 0.535 410 D N 1.377 121.965 120.400 0.313 0.000 2.346 410 D HA -0.001 4.640 4.640 0.001 0.000 0.260 410 D C 1.095 177.604 176.300 0.349 0.000 1.252 410 D CA 0.481 54.681 54.000 0.334 0.000 0.895 410 D CB 0.716 41.754 40.800 0.397 0.000 1.097 410 D HN 0.386 nan 8.370 nan 0.000 0.489 411 E N 2.650 122.974 120.200 0.207 0.000 2.347 411 E HA -0.152 4.199 4.350 0.001 0.000 0.196 411 E C 1.546 178.177 176.600 0.052 0.000 1.008 411 E CA 0.333 56.814 56.400 0.135 0.000 0.852 411 E CB 0.291 30.044 29.700 0.088 0.000 0.783 411 E HN 0.447 nan 8.360 nan 0.000 0.505 412 K N 0.058 120.476 120.400 0.029 0.000 2.209 412 K HA -0.166 4.154 4.320 0.001 0.000 0.204 412 K C 0.728 177.057 176.600 -0.452 0.000 1.048 412 K CA 1.288 57.454 56.287 -0.203 0.000 0.940 412 K CB 0.128 32.482 32.500 -0.243 0.000 0.729 412 K HN 0.172 nan 8.250 nan 0.000 0.451 413 Y N -2.367 117.861 120.300 -0.121 0.000 2.453 413 Y HA 0.237 4.788 4.550 0.001 0.000 0.247 413 Y C -0.514 175.018 175.900 -0.613 0.000 1.124 413 Y CA -0.757 57.106 58.100 -0.394 0.000 1.243 413 Y CB 0.613 38.745 38.460 -0.548 0.000 1.213 413 Y HN -0.014 nan 8.280 nan 0.000 0.523 414 W N 0.609 121.913 121.300 0.006 0.000 2.785 414 W HA 0.607 5.268 4.660 0.001 0.000 0.333 414 W C -0.335 176.129 176.519 -0.091 0.000 1.062 414 W CA -1.049 56.246 57.345 -0.082 0.000 1.233 414 W CB 1.000 30.388 29.460 -0.119 0.000 1.413 414 W HN -0.520 nan 8.180 nan 0.000 0.489 415 R N 2.734 123.306 120.500 0.119 0.000 2.216 415 R HA 0.120 4.460 4.340 0.001 0.000 0.332 415 R C -0.539 175.791 176.300 0.049 0.000 1.056 415 R CA -0.189 55.940 56.100 0.048 0.000 0.901 415 R CB 0.278 30.582 30.300 0.008 0.000 1.039 415 R HN 0.610 nan 8.270 nan 0.000 0.456 416 D N 3.301 123.725 120.400 0.040 0.000 2.812 416 D HA -0.136 4.505 4.640 0.001 0.000 0.237 416 D C -1.579 174.719 176.300 -0.003 0.000 1.162 416 D CA 0.300 54.318 54.000 0.029 0.000 0.740 416 D CB -0.427 40.384 40.800 0.018 0.000 1.000 416 D HN 0.397 nan 8.370 nan 0.000 0.416 417 P HA -0.167 nan 4.420 nan 0.000 0.228 417 P C 1.265 178.345 177.300 -0.366 0.000 1.151 417 P CA 1.002 63.901 63.100 -0.335 0.000 0.770 417 P CB 0.303 31.722 31.700 -0.468 0.000 0.786 418 E N 0.309 120.537 120.200 0.047 0.000 2.511 418 E HA 0.012 4.362 4.350 0.001 0.000 0.196 418 E C 0.063 176.929 176.600 0.443 0.000 1.066 418 E CA 0.256 56.876 56.400 0.366 0.000 0.871 418 E CB -0.453 29.449 29.700 0.338 0.000 0.863 418 E HN 0.065 nan 8.360 nan 0.000 0.520 419 V N 2.197 122.238 119.914 0.212 0.000 2.435 419 V HA 0.247 4.368 4.120 0.001 0.000 0.290 419 V C -0.355 175.668 176.094 -0.119 0.000 1.030 419 V CA -0.939 61.410 62.300 0.082 0.000 0.881 419 V CB 0.848 32.666 31.823 -0.007 0.000 0.983 419 V HN 0.145 nan 8.190 nan 0.000 0.445 420 F N 5.261 124.859 119.950 -0.586 0.000 2.502 420 F HA 0.453 4.981 4.527 0.001 0.000 0.371 420 F C 0.081 175.749 175.800 -0.221 0.000 1.083 420 F CA 0.383 57.959 58.000 -0.707 0.000 1.174 420 F CB 0.015 38.559 39.000 -0.759 0.000 1.096 420 F HN 0.666 nan 8.300 nan 0.000 0.545 421 H N 7.930 126.579 119.070 -0.702 0.000 2.895 421 H HA 0.315 4.872 4.556 0.001 0.000 0.282 421 H C -2.379 172.703 175.328 -0.411 0.000 1.338 421 H CA -2.357 53.429 56.048 -0.436 0.000 1.595 421 H CB 0.947 30.567 29.762 -0.237 0.000 1.771 421 H HN 0.278 nan 8.280 nan 0.000 0.573 422 P HA -0.195 nan 4.420 nan 0.000 0.217 422 P C 1.448 178.586 177.300 -0.269 0.000 1.148 422 P CA 1.255 64.150 63.100 -0.340 0.000 0.828 422 P CB 0.516 31.985 31.700 -0.385 0.000 0.783 423 E N 0.631 120.548 120.200 -0.473 0.000 2.273 423 E HA -0.241 4.110 4.350 0.001 0.000 0.198 423 E C 1.973 178.344 176.600 -0.382 0.000 1.002 423 E CA 1.242 57.401 56.400 -0.402 0.000 0.828 423 E CB -0.607 28.775 29.700 -0.531 0.000 0.747 423 E HN 0.271 nan 8.360 nan 0.000 0.491 424 R N -0.880 119.315 120.500 -0.509 0.000 2.237 424 R HA -0.093 4.248 4.340 0.001 0.000 0.219 424 R C 1.223 177.256 176.300 -0.445 0.000 1.080 424 R CA 1.369 57.227 56.100 -0.404 0.000 0.995 424 R CB -0.549 29.511 30.300 -0.401 0.000 0.875 424 R HN 0.196 nan 8.270 nan 0.000 0.462 425 F N 1.069 120.930 119.950 -0.148 0.000 2.765 425 F HA 0.320 4.848 4.527 0.001 0.000 0.302 425 F C 0.368 176.037 175.800 -0.218 0.000 1.111 425 F CA -0.383 57.497 58.000 -0.199 0.000 1.359 425 F CB 0.456 39.421 39.000 -0.059 0.000 1.097 425 F HN -0.125 nan 8.300 nan 0.000 0.577 426 L N 0.926 122.144 121.223 -0.007 0.000 2.309 426 L HA 0.306 4.646 4.340 0.001 0.000 0.282 426 L C -0.205 176.645 176.870 -0.032 0.000 1.036 426 L CA -1.118 53.730 54.840 0.014 0.000 0.806 426 L CB 0.980 43.074 42.059 0.058 0.000 1.220 426 L HN 0.026 nan 8.230 nan 0.000 0.429 427 D N 0.176 120.572 120.400 -0.005 0.000 2.451 427 D HA 0.062 4.703 4.640 0.001 0.000 0.259 427 D C 0.991 177.302 176.300 0.018 0.000 1.201 427 D CA -0.500 53.496 54.000 -0.007 0.000 1.028 427 D CB 0.757 41.562 40.800 0.007 0.000 1.095 427 D HN 0.469 nan 8.370 nan 0.000 0.539 428 S N -1.142 114.566 115.700 0.013 0.000 2.547 428 S HA -0.099 4.371 4.470 0.001 0.000 0.235 428 S C 1.262 175.887 174.600 0.041 0.000 0.980 428 S CA 0.471 58.681 58.200 0.017 0.000 0.941 428 S CB -0.507 62.697 63.200 0.007 0.000 0.763 428 S HN 0.386 nan 8.310 nan 0.000 0.532 429 S N 0.422 116.173 115.700 0.086 0.000 2.540 429 S HA 0.500 4.970 4.470 0.001 0.000 0.218 429 S C 1.332 175.980 174.600 0.081 0.000 0.977 429 S CA 0.124 58.406 58.200 0.135 0.000 0.918 429 S CB 0.337 63.690 63.200 0.255 0.000 0.806 429 S HN 0.967 nan 8.310 nan 0.000 0.496 430 G N 0.840 109.660 108.800 0.033 0.000 2.136 430 G HA2 -0.268 3.693 3.960 0.001 0.000 0.242 430 G HA3 -0.268 3.693 3.960 0.001 0.000 0.242 430 G C -0.192 174.608 174.900 -0.168 0.000 0.989 430 G CA -0.194 44.866 45.100 -0.067 0.000 0.682 430 G HN 0.494 nan 8.290 nan 0.000 0.522 431 Y N -1.034 119.300 120.300 0.058 0.000 2.403 431 Y HA 0.630 5.181 4.550 0.001 0.000 0.323 431 Y C 0.702 176.661 175.900 0.099 0.000 1.226 431 Y CA -1.220 56.929 58.100 0.082 0.000 1.235 431 Y CB 0.721 39.211 38.460 0.050 0.000 1.248 431 Y HN 0.151 nan 8.280 nan 0.000 0.489 432 F N 2.235 122.278 119.950 0.156 0.000 2.538 432 F HA 0.438 4.966 4.527 0.001 0.000 0.371 432 F C -0.079 175.750 175.800 0.047 0.000 1.087 432 F CA -0.717 57.318 58.000 0.058 0.000 1.250 432 F CB 0.095 39.081 39.000 -0.024 0.000 1.110 432 F HN 0.417 nan 8.300 nan 0.000 0.570 433 A N 7.307 129.612 122.820 -0.858 0.000 2.293 433 A HA 0.477 4.797 4.320 0.001 0.000 0.312 433 A C -0.794 176.319 177.584 -0.785 0.000 1.309 433 A CA -0.991 50.706 52.037 -0.567 0.000 0.839 433 A CB 0.246 19.068 19.000 -0.297 0.000 1.155 433 A HN 0.783 nan 8.150 nan 0.000 0.501 434 K N 2.299 122.387 120.400 -0.519 0.000 2.218 434 K HA 0.508 4.829 4.320 0.001 0.000 0.276 434 K C -0.624 175.905 176.600 -0.118 0.000 1.022 434 K CA -0.392 55.731 56.287 -0.272 0.000 0.946 434 K CB 1.006 33.525 32.500 0.031 0.000 1.000 434 K HN 0.259 nan 8.250 nan 0.000 0.468 435 K N 2.822 123.226 120.400 0.006 0.000 2.244 435 K HA 0.075 4.396 4.320 0.001 0.000 0.260 435 K C 0.222 176.792 176.600 -0.049 0.000 0.951 435 K CA -0.474 55.769 56.287 -0.073 0.000 0.826 435 K CB 1.744 34.195 32.500 -0.081 0.000 1.108 435 K HN 0.853 nan 8.250 nan 0.000 0.433 436 E N 2.195 122.292 120.200 -0.172 0.000 2.118 436 E HA -0.165 4.186 4.350 0.001 0.000 0.195 436 E C 0.691 177.068 176.600 -0.371 0.000 0.992 436 E CA 1.219 57.506 56.400 -0.189 0.000 0.804 436 E CB 0.242 29.816 29.700 -0.210 0.000 0.741 436 E HN 0.646 nan 8.360 nan 0.000 0.458 437 A N 0.745 123.186 122.820 -0.631 0.000 2.359 437 A HA 0.134 4.455 4.320 0.001 0.000 0.240 437 A C 0.185 177.921 177.584 0.255 0.000 1.306 437 A CA -0.194 51.413 52.037 -0.716 0.000 0.898 437 A CB -0.009 18.377 19.000 -1.023 0.000 0.956 437 A HN 0.154 nan 8.150 nan 0.000 0.497 438 L N 0.763 122.220 121.223 0.391 0.000 2.276 438 L HA 0.533 4.874 4.340 0.001 0.000 0.286 438 L C -0.054 177.097 176.870 0.467 0.000 1.024 438 L CA -0.285 54.910 54.840 0.592 0.000 0.826 438 L CB 1.637 44.054 42.059 0.598 0.000 1.211 438 L HN 0.245 nan 8.230 nan 0.000 0.422 439 V N 3.853 124.135 119.914 0.615 0.000 2.724 439 V HA 0.446 4.567 4.120 0.001 0.000 0.341 439 V C -2.031 174.270 176.094 0.345 0.000 1.254 439 V CA -0.550 61.990 62.300 0.401 0.000 1.261 439 V CB 0.369 32.359 31.823 0.279 0.000 1.445 439 V HN 0.643 nan 8.190 nan 0.000 0.652 440 P HA 0.052 nan 4.420 nan 0.000 0.233 440 P C 0.714 177.857 177.300 -0.263 0.000 1.167 440 P CA 0.915 64.005 63.100 -0.017 0.000 0.770 440 P CB 0.010 31.518 31.700 -0.319 0.000 0.837 441 F N -0.609 119.436 119.950 0.159 0.000 2.639 441 F HA 0.286 4.814 4.527 0.001 0.000 0.300 441 F C 1.430 177.339 175.800 0.181 0.000 1.109 441 F CA -0.120 57.969 58.000 0.148 0.000 1.335 441 F CB -0.238 38.851 39.000 0.148 0.000 1.014 441 F HN -0.115 nan 8.300 nan 0.000 0.537 442 S N 0.269 116.134 115.700 0.276 0.000 3.513 442 S HA -0.178 4.293 4.470 0.001 0.000 0.636 442 S C -0.683 174.061 174.600 0.240 0.000 2.452 442 S CA 0.285 58.620 58.200 0.225 0.000 2.644 442 S CB -0.714 62.624 63.200 0.231 0.000 0.331 442 S HN 0.256 nan 8.310 nan 0.000 1.787 443 L N 0.501 121.836 121.223 0.186 0.000 2.491 443 L HA 0.729 5.070 4.340 0.001 0.000 0.254 443 L C 0.838 177.801 176.870 0.154 0.000 1.048 443 L CA -0.292 54.629 54.840 0.134 0.000 0.855 443 L CB 1.482 43.570 42.059 0.047 0.000 1.466 443 L HN 1.709 nan 8.230 nan 0.000 0.409 444 G N 0.416 109.288 108.800 0.120 0.000 2.568 444 G HA2 -0.191 3.769 3.960 0.001 0.000 0.222 444 G HA3 -0.191 3.769 3.960 0.001 0.000 0.222 444 G C 0.378 175.457 174.900 0.299 0.000 1.321 444 G CA -0.073 45.116 45.100 0.148 0.000 0.893 444 G HN 0.590 nan 8.290 nan 0.000 0.569 445 R N 0.065 120.713 120.500 0.247 0.000 2.120 445 R HA -0.009 4.331 4.340 0.001 0.000 0.234 445 R C 2.203 178.744 176.300 0.402 0.000 1.123 445 R CA 1.316 57.614 56.100 0.331 0.000 0.975 445 R CB -0.199 30.203 30.300 0.170 0.000 0.866 445 R HN 0.394 nan 8.270 nan 0.000 0.446 446 R N 1.290 121.961 120.500 0.284 0.000 2.359 446 R HA 0.037 4.378 4.340 0.001 0.000 0.231 446 R C 0.474 176.911 176.300 0.228 0.000 0.913 446 R CA -0.087 56.157 56.100 0.239 0.000 1.075 446 R CB -0.282 30.067 30.300 0.083 0.000 1.087 446 R HN 0.446 nan 8.270 nan 0.000 0.515 447 H N -1.008 118.197 119.070 0.224 0.000 2.913 447 H HA -0.042 4.514 4.556 0.001 0.000 0.365 447 H C 0.081 175.519 175.328 0.183 0.000 1.155 447 H CA -0.251 55.917 56.048 0.201 0.000 1.417 447 H CB 0.439 30.310 29.762 0.181 0.000 1.386 447 H HN -0.095 nan 8.280 nan 0.000 0.614 448 C N 4.245 123.667 119.300 0.203 0.000 2.437 448 C HA -0.078 4.383 4.460 0.001 0.000 0.399 448 C C 2.206 177.137 174.990 -0.098 0.000 1.478 448 C CA 0.145 59.229 59.018 0.110 0.000 1.538 448 C CB -1.999 25.938 27.740 0.328 0.000 2.506 448 C HN 0.861 nan 8.230 nan 0.000 0.603 449 L N 5.159 126.291 121.223 -0.151 0.000 2.418 449 L HA 0.226 4.567 4.340 0.001 0.000 0.218 449 L C 1.900 178.628 176.870 -0.236 0.000 1.125 449 L CA 1.630 56.333 54.840 -0.228 0.000 0.835 449 L CB -0.202 41.715 42.059 -0.236 0.000 0.953 449 L HN 0.898 nan 8.230 nan 0.000 0.454 450 G N -1.172 107.512 108.800 -0.192 0.000 3.453 450 G HA2 -0.022 3.939 3.960 0.001 0.000 0.263 450 G HA3 -0.022 3.939 3.960 0.001 0.000 0.263 450 G C 0.979 175.792 174.900 -0.145 0.000 1.060 450 G CA 0.048 45.040 45.100 -0.180 0.000 0.793 450 G HN 0.386 nan 8.290 nan 0.000 0.532 451 E N 0.567 120.613 120.200 -0.256 0.000 2.048 451 E HA -0.341 4.010 4.350 0.001 0.000 0.202 451 E C 1.911 178.227 176.600 -0.474 0.000 1.021 451 E CA 1.729 57.713 56.400 -0.693 0.000 0.825 451 E CB -0.193 29.078 29.700 -0.714 0.000 0.756 451 E HN 0.564 nan 8.360 nan 0.000 0.454 452 H N -0.192 118.646 119.070 -0.385 0.000 2.289 452 H HA -0.176 4.381 4.556 0.001 0.000 0.296 452 H C 2.059 177.139 175.328 -0.414 0.000 1.091 452 H CA 1.994 57.786 56.048 -0.427 0.000 1.274 452 H CB -0.378 29.026 29.762 -0.596 0.000 1.364 452 H HN 0.241 nan 8.280 nan 0.000 0.490 453 L N 0.351 121.425 121.223 -0.249 0.000 2.042 453 L HA -0.125 4.216 4.340 0.001 0.000 0.210 453 L C 2.517 179.345 176.870 -0.071 0.000 1.076 453 L CA 2.020 56.819 54.840 -0.068 0.000 0.749 453 L CB -1.236 40.978 42.059 0.258 0.000 0.893 453 L HN 0.436 nan 8.230 nan 0.000 0.432 454 A N -0.560 122.235 122.820 -0.043 0.000 1.940 454 A HA -0.232 4.088 4.320 0.001 0.000 0.219 454 A C 2.390 179.997 177.584 0.038 0.000 1.176 454 A CA 1.894 53.968 52.037 0.062 0.000 0.631 454 A CB -0.526 18.589 19.000 0.192 0.000 0.814 454 A HN 0.529 nan 8.150 nan 0.000 0.446 455 R N -1.097 119.344 120.500 -0.098 0.000 2.075 455 R HA 0.002 4.343 4.340 0.001 0.000 0.232 455 R C 2.281 178.581 176.300 -0.001 0.000 1.126 455 R CA 1.576 57.659 56.100 -0.028 0.000 0.963 455 R CB -0.387 29.875 30.300 -0.065 0.000 0.858 455 R HN 0.538 nan 8.270 nan 0.000 0.435 456 M N 0.387 119.757 119.600 -0.384 0.000 2.086 456 M HA -0.160 4.321 4.480 0.001 0.000 0.261 456 M C 2.051 178.393 176.300 0.070 0.000 1.067 456 M CA 1.692 56.776 55.300 -0.360 0.000 1.116 456 M CB -0.264 31.932 32.600 -0.673 0.000 1.348 456 M HN 0.147 nan 8.290 nan 0.000 0.407 457 E N 0.346 120.602 120.200 0.094 0.000 2.033 457 E HA -0.240 4.111 4.350 0.001 0.000 0.199 457 E C 1.994 178.829 176.600 0.391 0.000 1.011 457 E CA 1.760 58.331 56.400 0.285 0.000 0.815 457 E CB -0.141 29.738 29.700 0.299 0.000 0.755 457 E HN 0.432 nan 8.360 nan 0.000 0.451 458 M N -0.260 119.512 119.600 0.287 0.000 2.082 458 M HA -0.224 4.257 4.480 0.001 0.000 0.258 458 M C 2.232 178.751 176.300 0.365 0.000 1.071 458 M CA 1.667 57.131 55.300 0.273 0.000 1.103 458 M CB -0.419 32.279 32.600 0.164 0.000 1.307 458 M HN 0.152 nan 8.290 nan 0.000 0.409 459 F N 0.920 121.016 119.950 0.243 0.000 2.069 459 F HA -0.217 4.311 4.527 0.001 0.000 0.298 459 F C 1.906 177.884 175.800 0.296 0.000 1.113 459 F CA 1.705 59.880 58.000 0.293 0.000 1.214 459 F CB -0.308 38.899 39.000 0.345 0.000 0.978 459 F HN -0.013 nan 8.300 nan 0.000 0.474 460 L N -1.357 120.033 121.223 0.278 0.000 2.093 460 L HA -0.196 4.145 4.340 0.001 0.000 0.208 460 L C 2.394 179.247 176.870 -0.027 0.000 1.085 460 L CA 1.172 56.040 54.840 0.046 0.000 0.755 460 L CB -0.740 41.337 42.059 0.030 0.000 0.904 460 L HN 0.137 nan 8.230 nan 0.000 0.435 461 F N -1.235 118.797 119.950 0.136 0.000 2.128 461 F HA -0.215 4.313 4.527 0.002 0.000 0.295 461 F C 2.359 178.304 175.800 0.243 0.000 1.100 461 F CA 1.202 59.294 58.000 0.154 0.000 1.260 461 F CB -0.322 38.717 39.000 0.066 0.000 1.009 461 F HN -0.075 nan 8.300 nan 0.000 0.476 462 F N 1.445 121.549 119.950 0.257 0.000 2.095 462 F HA -0.268 4.260 4.527 0.001 0.000 0.298 462 F C 2.772 178.622 175.800 0.084 0.000 1.104 462 F CA 2.112 60.211 58.000 0.165 0.000 1.232 462 F CB -1.042 38.025 39.000 0.110 0.000 0.987 462 F HN 0.026 nan 8.300 nan 0.000 0.475 463 T N -1.450 113.068 114.554 -0.060 0.000 2.737 463 T HA -0.056 4.295 4.350 0.001 0.000 0.265 463 T C 2.222 176.873 174.700 -0.081 0.000 1.038 463 T CA 1.079 63.047 62.100 -0.220 0.000 1.144 463 T CB -1.275 67.346 68.868 -0.412 0.000 0.866 463 T HN 0.246 nan 8.240 nan 0.000 0.434 464 A N 1.667 124.490 122.820 0.006 0.000 1.908 464 A HA 0.054 4.374 4.320 0.001 0.000 0.218 464 A C 2.355 180.051 177.584 0.187 0.000 1.181 464 A CA 1.753 53.843 52.037 0.087 0.000 0.627 464 A CB -1.023 18.042 19.000 0.109 0.000 0.818 464 A HN 0.464 nan 8.150 nan 0.000 0.445 465 L N -0.291 121.104 121.223 0.286 0.000 1.994 465 L HA -0.070 4.271 4.340 0.001 0.000 0.208 465 L C 2.268 179.288 176.870 0.250 0.000 1.071 465 L CA 1.719 56.793 54.840 0.391 0.000 0.745 465 L CB -0.432 41.908 42.059 0.469 0.000 0.892 465 L HN 0.392 nan 8.230 nan 0.000 0.431 466 L N -0.742 120.490 121.223 0.015 0.000 2.275 466 L HA -0.185 4.156 4.340 0.001 0.000 0.215 466 L C 2.539 179.401 176.870 -0.014 0.000 1.119 466 L CA 1.212 56.014 54.840 -0.064 0.000 0.790 466 L CB -0.540 41.332 42.059 -0.312 0.000 0.919 466 L HN 0.555 nan 8.230 nan 0.000 0.443 467 Q N 0.421 120.220 119.800 -0.001 0.000 2.119 467 Q HA -0.226 4.114 4.340 0.001 0.000 0.201 467 Q C 2.281 178.283 176.000 0.003 0.000 0.972 467 Q CA 1.453 57.272 55.803 0.026 0.000 0.847 467 Q CB 0.188 28.946 28.738 0.033 0.000 0.903 467 Q HN 0.345 nan 8.270 nan 0.000 0.433 468 R N -1.598 118.866 120.500 -0.060 0.000 2.206 468 R HA 0.151 4.492 4.340 0.001 0.000 0.198 468 R C -0.469 175.489 176.300 -0.570 0.000 0.986 468 R CA 0.132 56.029 56.100 -0.338 0.000 1.029 468 R CB 0.513 30.520 30.300 -0.487 0.000 0.966 468 R HN 0.022 nan 8.270 nan 0.000 0.487 469 F N -1.380 118.583 119.950 0.022 0.000 2.603 469 F HA 0.290 4.818 4.527 0.002 0.000 0.317 469 F C -0.360 175.472 175.800 0.053 0.000 1.066 469 F CA -1.264 56.763 58.000 0.046 0.000 0.941 469 F CB 1.465 40.513 39.000 0.080 0.000 1.291 469 F HN -0.072 nan 8.300 nan 0.000 0.472 470 H N 2.028 121.226 119.070 0.214 0.000 2.467 470 H HA 0.685 5.242 4.556 0.001 0.000 0.326 470 H C -1.546 173.866 175.328 0.141 0.000 1.094 470 H CA -0.461 55.664 56.048 0.129 0.000 1.253 470 H CB 0.917 30.735 29.762 0.093 0.000 1.439 470 H HN 0.529 nan 8.280 nan 0.000 0.479 471 L N 6.571 127.463 121.223 -0.553 0.000 2.305 471 L HA 0.415 4.756 4.340 0.001 0.000 0.284 471 L C -0.658 175.852 176.870 -0.601 0.000 1.013 471 L CA -0.734 53.827 54.840 -0.466 0.000 0.819 471 L CB 1.052 42.897 42.059 -0.355 0.000 1.227 471 L HN 0.891 nan 8.230 nan 0.000 0.417 472 H N 0.749 119.506 119.070 -0.522 0.000 2.990 472 H HA 0.626 5.183 4.556 0.001 0.000 0.343 472 H C -1.363 173.719 175.328 -0.411 0.000 1.270 472 H CA -0.963 54.786 56.048 -0.498 0.000 1.118 472 H CB 1.027 30.681 29.762 -0.181 0.000 1.861 472 H HN 0.159 nan 8.280 nan 0.000 0.544 473 F N 0.340 120.275 119.950 -0.025 0.000 2.370 473 F HA 0.422 4.950 4.527 0.001 0.000 0.324 473 F C -2.054 173.779 175.800 0.055 0.000 1.116 473 F CA -2.671 55.295 58.000 -0.057 0.000 1.123 473 F CB 0.227 39.205 39.000 -0.036 0.000 1.238 473 F HN 0.411 nan 8.300 nan 0.000 0.536 474 P HA 0.051 nan 4.420 nan 0.000 0.271 474 P C -0.506 176.958 177.300 0.273 0.000 1.216 474 P CA 0.154 63.385 63.100 0.219 0.000 0.776 474 P CB 0.152 31.942 31.700 0.150 0.000 0.881 475 H N 2.543 121.705 119.070 0.153 0.000 2.529 475 H HA -0.239 4.318 4.556 0.001 0.000 0.319 475 H C 0.023 175.415 175.328 0.107 0.000 1.072 475 H CA 0.804 56.917 56.048 0.109 0.000 1.126 475 H CB -1.576 28.229 29.762 0.071 0.000 1.474 475 H HN 0.429 nan 8.280 nan 0.000 0.406 476 E N -1.080 119.188 120.200 0.114 0.000 2.113 476 E HA -0.275 4.076 4.350 0.001 0.000 0.203 476 E C 0.480 177.127 176.600 0.078 0.000 1.346 476 E CA 1.053 57.531 56.400 0.130 0.000 0.708 476 E CB -1.403 28.322 29.700 0.040 0.000 1.085 476 E HN 0.644 nan 8.360 nan 0.000 0.338 477 L N 0.052 121.326 121.223 0.085 0.000 2.573 477 L HA -0.097 4.244 4.340 0.001 0.000 0.290 477 L C 0.871 177.630 176.870 -0.186 0.000 1.247 477 L CA 0.226 55.050 54.840 -0.026 0.000 0.876 477 L CB 0.339 42.377 42.059 -0.035 0.000 1.123 477 L HN -0.058 nan 8.230 nan 0.000 0.505 478 V N 4.833 124.652 119.914 -0.159 0.000 2.397 478 V HA 0.133 4.254 4.120 0.001 0.000 0.262 478 V C -1.480 174.430 176.094 -0.307 0.000 1.047 478 V CA -1.138 61.037 62.300 -0.209 0.000 1.003 478 V CB 0.003 31.756 31.823 -0.117 0.000 1.037 478 V HN 0.650 nan 8.190 nan 0.000 0.480 479 P HA 0.383 nan 4.420 nan 0.000 0.284 479 P C -1.022 176.089 177.300 -0.315 0.000 1.258 479 P CA -0.556 62.228 63.100 -0.526 0.000 0.824 479 P CB 1.264 32.374 31.700 -0.984 0.000 1.038 480 D N 1.276 121.545 120.400 -0.218 0.000 2.280 480 D HA 0.156 4.797 4.640 0.001 0.000 0.243 480 D C 0.607 176.861 176.300 -0.076 0.000 1.129 480 D CA -0.267 53.664 54.000 -0.116 0.000 0.848 480 D CB 0.519 41.279 40.800 -0.068 0.000 1.107 480 D HN 0.219 nan 8.370 nan 0.000 0.471 481 L N 2.800 124.020 121.223 -0.006 0.000 2.640 481 L HA 0.180 4.521 4.340 0.001 0.000 0.230 481 L C 0.637 177.660 176.870 0.255 0.000 1.123 481 L CA -0.063 54.867 54.840 0.150 0.000 0.900 481 L CB -0.052 42.074 42.059 0.111 0.000 1.146 481 L HN 0.143 nan 8.230 nan 0.000 0.484 482 K N 2.971 123.459 120.400 0.148 0.000 2.378 482 K HA 0.181 4.502 4.320 0.001 0.000 0.288 482 K C -2.096 174.629 176.600 0.207 0.000 1.057 482 K CA -1.558 54.813 56.287 0.140 0.000 0.971 482 K CB 0.367 32.907 32.500 0.065 0.000 0.975 482 K HN -0.081 nan 8.250 nan 0.000 0.475 483 P HA 0.052 nan 4.420 nan 0.000 0.272 483 P C -0.689 176.720 177.300 0.181 0.000 1.240 483 P CA -0.301 63.008 63.100 0.348 0.000 0.791 483 P CB 0.686 32.598 31.700 0.352 0.000 0.978 484 R N 0.794 121.391 120.500 0.162 0.000 2.254 484 R HA 0.286 4.626 4.340 0.001 0.000 0.318 484 R C -0.087 176.271 176.300 0.098 0.000 1.031 484 R CA -0.986 55.169 56.100 0.092 0.000 0.905 484 R CB 0.114 30.448 30.300 0.058 0.000 1.050 484 R HN 0.369 nan 8.270 nan 0.000 0.456 485 L N 4.010 125.276 121.223 0.071 0.000 2.615 485 L HA 0.224 4.565 4.340 0.001 0.000 0.271 485 L C -0.013 176.900 176.870 0.071 0.000 1.183 485 L CA 1.334 56.218 54.840 0.073 0.000 0.933 485 L CB 0.218 42.306 42.059 0.048 0.000 1.199 485 L HN 0.782 nan 8.230 nan 0.000 0.487 486 G N 4.161 113.011 108.800 0.084 0.000 2.606 486 G HA2 0.267 4.227 3.960 0.001 0.000 0.300 486 G HA3 0.267 4.227 3.960 0.001 0.000 0.300 486 G C 0.157 175.099 174.900 0.069 0.000 1.360 486 G CA -0.544 44.595 45.100 0.065 0.000 0.783 486 G HN 0.304 nan 8.290 nan 0.000 0.484 487 M N 0.572 120.194 119.600 0.036 0.000 2.358 487 M HA 0.064 4.545 4.480 0.001 0.000 0.264 487 M C 1.362 177.674 176.300 0.021 0.000 1.064 487 M CA 1.334 56.645 55.300 0.018 0.000 1.093 487 M CB -1.222 31.356 32.600 -0.037 0.000 1.401 487 M HN 0.722 nan 8.290 nan 0.000 0.440 488 T N -1.563 113.007 114.554 0.026 0.000 2.924 488 T HA 0.672 5.023 4.350 0.001 0.000 0.291 488 T C -0.370 174.379 174.700 0.082 0.000 1.045 488 T CA -0.913 61.210 62.100 0.038 0.000 1.015 488 T CB 2.190 71.074 68.868 0.027 0.000 1.103 488 T HN 0.097 nan 8.240 nan 0.000 0.496 489 L N 2.844 124.143 121.223 0.126 0.000 2.272 489 L HA 0.495 4.836 4.340 0.001 0.000 0.289 489 L C 0.357 177.487 176.870 0.433 0.000 1.032 489 L CA -0.748 54.236 54.840 0.239 0.000 0.810 489 L CB 1.196 43.363 42.059 0.180 0.000 1.205 489 L HN 0.814 nan 8.230 nan 0.000 0.422 490 Q N 5.051 125.029 119.800 0.296 0.000 2.399 490 Q HA 0.679 5.019 4.340 0.001 0.000 0.276 490 Q C -2.864 173.067 176.000 -0.116 0.000 1.098 490 Q CA -2.151 53.697 55.803 0.075 0.000 0.827 490 Q CB 2.852 31.572 28.738 -0.030 0.000 1.386 490 Q HN 0.219 nan 8.270 nan 0.000 0.443 491 P HA 0.075 nan 4.420 nan 0.000 0.278 491 P C -0.680 176.500 177.300 -0.200 0.000 1.258 491 P CA -0.319 62.418 63.100 -0.605 0.000 0.811 491 P CB 0.775 31.876 31.700 -0.999 0.000 1.063 492 Q N 0.334 120.077 119.800 -0.095 0.000 2.454 492 Q HA 0.205 4.546 4.340 0.001 0.000 0.247 492 Q C -1.924 174.071 176.000 -0.009 0.000 1.028 492 Q CA -1.312 54.468 55.803 -0.038 0.000 0.910 492 Q CB -1.176 27.549 28.738 -0.022 0.000 1.276 492 Q HN 0.352 nan 8.270 nan 0.000 0.489 493 P HA -0.015 nan 4.420 nan 0.000 0.264 493 P C -1.223 176.062 177.300 -0.026 0.000 1.193 493 P CA 0.524 63.570 63.100 -0.091 0.000 0.763 493 P CB -0.077 31.573 31.700 -0.084 0.000 0.810 494 Y N 0.933 121.152 120.300 -0.134 0.000 2.492 494 Y HA 0.622 5.172 4.550 0.001 0.000 0.346 494 Y C -1.244 174.588 175.900 -0.113 0.000 0.997 494 Y CA -1.640 56.382 58.100 -0.130 0.000 1.025 494 Y CB 0.823 39.195 38.460 -0.147 0.000 1.263 494 Y HN 0.064 nan 8.280 nan 0.000 0.454 495 L N 4.761 125.985 121.223 0.001 0.000 2.375 495 L HA 0.565 4.906 4.340 0.001 0.000 0.271 495 L C -0.252 176.646 176.870 0.047 0.000 1.107 495 L CA -0.618 54.184 54.840 -0.063 0.000 0.806 495 L CB 1.216 43.271 42.059 -0.007 0.000 1.146 495 L HN 0.729 nan 8.230 nan 0.000 0.447 496 I N 0.469 120.952 120.570 -0.146 0.000 2.802 496 I HA 0.305 4.476 4.170 0.001 0.000 0.298 496 I C -1.163 174.835 176.117 -0.199 0.000 1.176 496 I CA -0.447 60.738 61.300 -0.191 0.000 1.025 496 I CB 2.738 40.503 38.000 -0.391 0.000 1.243 496 I HN 0.596 nan 8.210 nan 0.000 0.424 497 C N 4.744 123.866 119.300 -0.296 0.000 2.303 497 C HA 0.782 5.243 4.460 0.001 0.000 0.326 497 C C 0.406 175.306 174.990 -0.150 0.000 1.285 497 C CA -0.470 58.414 59.018 -0.223 0.000 1.675 497 C CB 0.563 28.013 27.740 -0.483 0.000 2.289 497 C HN 0.731 nan 8.230 nan 0.000 0.512 498 A N 3.640 126.486 122.820 0.044 0.000 2.293 498 A HA 0.689 5.010 4.320 0.001 0.000 0.312 498 A C -0.583 177.169 177.584 0.279 0.000 1.309 498 A CA -0.376 51.696 52.037 0.058 0.000 0.839 498 A CB 0.395 19.250 19.000 -0.241 0.000 1.155 498 A HN 0.888 nan 8.150 nan 0.000 0.501 499 E N 1.546 121.991 120.200 0.408 0.000 2.183 499 E HA 0.447 4.798 4.350 0.001 0.000 0.271 499 E C -0.188 176.642 176.600 0.384 0.000 0.919 499 E CA -0.836 55.800 56.400 0.393 0.000 0.781 499 E CB 1.644 31.530 29.700 0.309 0.000 1.140 499 E HN 0.778 nan 8.360 nan 0.000 0.402 500 R N 1.734 122.367 120.500 0.222 0.000 2.694 500 R HA 0.245 4.586 4.340 0.001 0.000 0.268 500 R C 0.430 176.683 176.300 -0.078 0.000 1.061 500 R CA -0.087 55.971 56.100 -0.070 0.000 1.133 500 R CB 0.850 31.072 30.300 -0.129 0.000 1.020 500 R HN 0.493 nan 8.270 nan 0.000 0.475 501 R N 0.092 120.449 120.500 -0.237 0.000 2.146 501 R HA 0.118 4.458 4.340 0.001 0.000 0.206 501 R C 0.430 176.520 176.300 -0.351 0.000 1.049 501 R CA 0.384 56.285 56.100 -0.332 0.000 1.029 501 R CB 0.098 30.071 30.300 -0.545 0.000 0.949 501 R HN 0.640 nan 8.270 nan 0.000 0.471 502 H N 0.000 119.044 119.070 -0.044 0.000 2.539 502 H HA 0.000 4.557 4.556 0.001 0.000 0.296 502 H CA 0.000 56.027 56.048 -0.036 0.000 1.023 502 H CB 0.000 29.736 29.762 -0.044 0.000 1.292 502 H HN 0.000 nan 8.280 nan 0.000 0.496