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 2r9y_1_A DATA FIRST_RESID 46 DATA SEQUENCE VPTAEETRRL AQAMMAFTTD LFSLVAQTST SSNLVLSPLS VALALSHLAL DATA SEQUENCE GAQNQTLHSL HRVLHMNTGS CLPHLLSHFY QNLGPGTIRL AARIYLQKGF DATA SEQUENCE PIKDDFLEQS ERLFGAKPVK LTGKQEEDLA NINQWVKEAT EGKIEDFLSE DATA SEQUENCE LPDSTVLLLL NAIHFHGFWR TKFDPSLTQK DFFHLDERFT VSVDMMHAVS DATA SEQUENCE YPLRWFLLEQ PEIQVAHFPF KNNMSFVVVM PTYFEWNVSE VLANLTWDTL DATA SEQUENCE YHPSLQERPT KVWLPKLHLQ QQLDLVATLS QLGLQELFQG PDLRGISEQN DATA SEQUENCE LVVSSVQHQS TMELSEAGVE AAXXXXXXXX XMSLSSFTVN RPFLFFIMED DATA SEQUENCE TIGVPLFVGS VRNPNPSALP QLQE 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 46 V HA 0.000 nan 4.120 nan 0.000 0.244 46 V C 0.000 175.974 176.094 -0.200 0.000 1.182 46 V CA 0.000 62.137 62.300 -0.272 0.000 1.235 46 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 47 P HA 0.759 nan 4.420 nan 0.000 0.281 47 P C 0.125 177.410 177.300 -0.025 0.000 1.264 47 P CA -0.188 62.861 63.100 -0.086 0.000 0.824 47 P CB 1.166 32.832 31.700 -0.055 0.000 1.092 48 T N -0.189 114.356 114.554 -0.014 0.000 2.748 48 T HA 0.274 4.624 4.350 -0.001 0.000 0.304 48 T C 1.552 176.261 174.700 0.015 0.000 1.041 48 T CA 0.106 62.206 62.100 0.000 0.000 1.033 48 T CB 0.308 69.173 68.868 -0.005 0.000 0.995 48 T HN 0.486 nan 8.240 nan 0.000 0.536 49 A N 0.658 123.488 122.820 0.017 0.000 1.933 49 A HA 0.047 4.367 4.320 -0.001 0.000 0.218 49 A C 2.493 180.081 177.584 0.006 0.000 1.175 49 A CA 1.842 53.892 52.037 0.022 0.000 0.628 49 A CB -1.472 17.541 19.000 0.021 0.000 0.814 49 A HN 0.987 nan 8.150 nan 0.000 0.444 50 E N -0.194 120.004 120.200 -0.002 0.000 2.208 50 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 50 E C 1.781 178.374 176.600 -0.011 0.000 0.988 50 E CA 1.341 57.733 56.400 -0.012 0.000 0.828 50 E CB -0.597 29.096 29.700 -0.012 0.000 0.763 50 E HN 0.846 nan 8.360 nan 0.000 0.478 51 E N -0.026 120.172 120.200 -0.003 0.000 2.072 51 E HA -0.137 4.213 4.350 -0.001 0.000 0.190 51 E C 2.500 179.105 176.600 0.007 0.000 0.982 51 E CA 1.702 58.103 56.400 0.002 0.000 0.803 51 E CB 0.041 29.741 29.700 0.001 0.000 0.755 51 E HN 0.683 nan 8.360 nan 0.000 0.453 52 T N -1.262 113.304 114.554 0.019 0.000 2.857 52 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 52 T C 1.942 176.628 174.700 -0.024 0.000 1.048 52 T CA 0.866 62.981 62.100 0.025 0.000 1.139 52 T CB -0.242 68.674 68.868 0.081 0.000 0.874 52 T HN 0.039 nan 8.240 nan 0.000 0.455 53 R N 0.797 121.275 120.500 -0.037 0.000 2.091 53 R HA -0.106 4.233 4.340 -0.001 0.000 0.238 53 R C 2.945 179.192 176.300 -0.089 0.000 1.136 53 R CA 1.355 57.402 56.100 -0.089 0.000 0.959 53 R CB -0.143 30.108 30.300 -0.081 0.000 0.856 53 R HN 0.266 nan 8.270 nan 0.000 0.437 54 R N -0.009 120.463 120.500 -0.046 0.000 2.092 54 R HA -0.070 4.269 4.340 -0.001 0.000 0.231 54 R C 2.175 178.467 176.300 -0.013 0.000 1.119 54 R CA 1.259 57.345 56.100 -0.023 0.000 0.970 54 R CB -1.178 29.120 30.300 -0.004 0.000 0.864 54 R HN 0.335 nan 8.270 nan 0.000 0.440 55 L N 0.598 121.804 121.223 -0.029 0.000 2.027 55 L HA 0.086 4.425 4.340 -0.001 0.000 0.206 55 L C 2.431 179.263 176.870 -0.065 0.000 1.074 55 L CA 2.202 57.011 54.840 -0.051 0.000 0.745 55 L CB -0.977 41.031 42.059 -0.086 0.000 0.898 55 L HN 0.252 nan 8.230 nan 0.000 0.433 56 A N -0.895 121.879 122.820 -0.076 0.000 1.873 56 A HA -0.325 3.994 4.320 -0.001 0.000 0.218 56 A C 2.248 179.921 177.584 0.149 0.000 1.193 56 A CA 2.176 54.210 52.037 -0.006 0.000 0.629 56 A CB -0.807 18.138 19.000 -0.091 0.000 0.826 56 A HN 0.651 nan 8.150 nan 0.000 0.447 57 Q N -0.941 118.905 119.800 0.077 0.000 2.077 57 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 57 Q C 2.448 178.536 176.000 0.146 0.000 0.989 57 Q CA 1.764 57.666 55.803 0.164 0.000 0.853 57 Q CB -0.399 28.366 28.738 0.045 0.000 0.907 57 Q HN 0.711 nan 8.270 nan 0.000 0.418 58 A N 0.237 123.111 122.820 0.091 0.000 1.873 58 A HA -0.177 4.143 4.320 -0.001 0.000 0.215 58 A C 1.978 179.625 177.584 0.105 0.000 1.186 58 A CA 1.334 53.432 52.037 0.101 0.000 0.616 58 A CB -0.364 18.690 19.000 0.089 0.000 0.823 58 A HN 0.272 nan 8.150 nan 0.000 0.442 59 M N -1.713 117.939 119.600 0.086 0.000 2.296 59 M HA -0.048 4.432 4.480 -0.001 0.000 0.265 59 M C 2.164 178.534 176.300 0.116 0.000 1.064 59 M CA 1.428 56.796 55.300 0.114 0.000 1.109 59 M CB -1.041 31.574 32.600 0.025 0.000 1.396 59 M HN 0.541 nan 8.290 nan 0.000 0.430 60 M N 0.532 120.189 119.600 0.095 0.000 2.156 60 M HA 0.008 4.488 4.480 -0.001 0.000 0.264 60 M C 2.158 178.443 176.300 -0.026 0.000 1.067 60 M CA 1.855 57.162 55.300 0.012 0.000 1.131 60 M CB -0.670 31.890 32.600 -0.067 0.000 1.368 60 M HN 0.177 nan 8.290 nan 0.000 0.416 61 A N -0.533 122.244 122.820 -0.071 0.000 1.902 61 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 61 A C 2.118 179.579 177.584 -0.205 0.000 1.181 61 A CA 1.785 53.643 52.037 -0.299 0.000 0.623 61 A CB -1.331 17.213 19.000 -0.759 0.000 0.818 61 A HN 0.625 nan 8.150 nan 0.000 0.443 62 F N 1.333 121.191 119.950 -0.152 0.000 2.146 62 F HA -0.099 4.428 4.527 -0.001 0.000 0.298 62 F C 2.435 178.246 175.800 0.019 0.000 1.096 62 F CA 2.096 60.115 58.000 0.031 0.000 1.275 62 F CB -0.834 38.213 39.000 0.078 0.000 1.008 62 F HN 0.197 nan 8.300 nan 0.000 0.480 63 T N -0.416 114.067 114.554 -0.118 0.000 2.652 63 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 63 T C 1.946 176.584 174.700 -0.103 0.000 1.039 63 T CA 2.238 64.227 62.100 -0.185 0.000 1.153 63 T CB -0.751 68.097 68.868 -0.033 0.000 0.863 63 T HN 0.284 nan 8.240 nan 0.000 0.428 64 T N 1.932 116.478 114.554 -0.014 0.000 2.665 64 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 64 T C 1.751 176.446 174.700 -0.009 0.000 1.035 64 T CA 1.617 63.735 62.100 0.029 0.000 1.151 64 T CB -0.592 68.276 68.868 0.001 0.000 0.862 64 T HN 0.334 nan 8.240 nan 0.000 0.438 65 D N 0.530 120.906 120.400 -0.039 0.000 2.084 65 D HA -0.048 4.591 4.640 -0.001 0.000 0.194 65 D C 2.034 178.292 176.300 -0.068 0.000 0.990 65 D CA 0.719 54.715 54.000 -0.007 0.000 0.826 65 D CB -0.558 40.304 40.800 0.104 0.000 0.971 65 D HN 0.159 nan 8.370 nan 0.000 0.453 66 L N 0.098 121.181 121.223 -0.233 0.000 2.027 66 L HA -0.112 4.228 4.340 -0.001 0.000 0.206 66 L C 2.108 178.946 176.870 -0.053 0.000 1.074 66 L CA 1.359 56.050 54.840 -0.248 0.000 0.745 66 L CB -0.750 40.954 42.059 -0.591 0.000 0.898 66 L HN -0.056 nan 8.230 nan 0.000 0.433 67 F N 0.051 119.859 119.950 -0.236 0.000 2.095 67 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 67 F C 2.597 178.329 175.800 -0.114 0.000 1.104 67 F CA 1.692 59.581 58.000 -0.184 0.000 1.232 67 F CB -0.997 37.870 39.000 -0.223 0.000 0.987 67 F HN 0.144 nan 8.300 nan 0.000 0.475 68 S N 0.843 116.498 115.700 -0.075 0.000 2.359 68 S HA -0.191 4.279 4.470 -0.001 0.000 0.224 68 S C 2.312 176.863 174.600 -0.081 0.000 1.035 68 S CA 1.311 59.418 58.200 -0.155 0.000 1.018 68 S CB -0.703 62.443 63.200 -0.090 0.000 0.876 68 S HN 0.430 nan 8.310 nan 0.000 0.448 69 L N 1.299 122.504 121.223 -0.030 0.000 2.046 69 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 69 L C 2.178 179.045 176.870 -0.005 0.000 1.077 69 L CA 1.149 55.982 54.840 -0.012 0.000 0.747 69 L CB -0.320 41.740 42.059 0.002 0.000 0.896 69 L HN 0.218 nan 8.230 nan 0.000 0.432 70 V N -0.295 119.629 119.914 0.017 0.000 2.358 70 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 70 V C 2.725 178.835 176.094 0.028 0.000 1.047 70 V CA 1.489 63.812 62.300 0.038 0.000 1.035 70 V CB -0.892 30.978 31.823 0.078 0.000 0.658 70 V HN 0.521 nan 8.190 nan 0.000 0.452 71 A N 0.919 123.740 122.820 0.001 0.000 1.917 71 A HA -0.305 4.015 4.320 -0.001 0.000 0.219 71 A C 2.250 179.803 177.584 -0.051 0.000 1.182 71 A CA 2.227 54.230 52.037 -0.057 0.000 0.633 71 A CB -0.470 18.393 19.000 -0.230 0.000 0.819 71 A HN 0.769 nan 8.150 nan 0.000 0.448 72 Q N -2.082 117.689 119.800 -0.048 0.000 2.354 72 Q HA -0.011 4.328 4.340 -0.001 0.000 0.203 72 Q C 1.561 177.547 176.000 -0.024 0.000 0.933 72 Q CA 1.403 57.184 55.803 -0.036 0.000 0.901 72 Q CB -0.557 28.162 28.738 -0.032 0.000 1.007 72 Q HN 0.438 nan 8.270 nan 0.000 0.495 73 T N 1.436 115.980 114.554 -0.017 0.000 2.942 73 T HA -0.039 4.311 4.350 -0.001 0.000 0.265 73 T C 1.091 175.783 174.700 -0.013 0.000 1.062 73 T CA 0.939 63.032 62.100 -0.013 0.000 1.139 73 T CB 0.056 68.920 68.868 -0.007 0.000 0.883 73 T HN 0.505 nan 8.240 nan 0.000 0.468 74 S N 1.286 116.980 115.700 -0.009 0.000 2.654 74 S HA 0.376 4.846 4.470 -0.001 0.000 0.283 74 S C 1.052 175.642 174.600 -0.017 0.000 1.180 74 S CA -0.356 57.839 58.200 -0.008 0.000 1.021 74 S CB 1.664 64.869 63.200 0.007 0.000 1.018 74 S HN 0.299 nan 8.310 nan 0.000 0.532 75 T N -1.645 112.897 114.554 -0.020 0.000 2.985 75 T HA 0.218 4.568 4.350 -0.001 0.000 0.254 75 T C 0.908 175.591 174.700 -0.029 0.000 1.021 75 T CA 0.243 62.326 62.100 -0.028 0.000 0.957 75 T CB -0.657 68.193 68.868 -0.030 0.000 1.047 75 T HN 0.890 nan 8.240 nan 0.000 0.511 76 S N 1.257 116.945 115.700 -0.020 0.000 2.568 76 S HA 0.247 4.717 4.470 -0.001 0.000 0.282 76 S C 1.446 176.032 174.600 -0.023 0.000 1.338 76 S CA -0.103 58.086 58.200 -0.019 0.000 1.045 76 S CB 1.292 64.487 63.200 -0.007 0.000 0.873 76 S HN 0.170 nan 8.310 nan 0.000 0.516 77 S N 2.425 118.108 115.700 -0.028 0.000 2.359 77 S HA -0.072 4.398 4.470 -0.001 0.000 0.224 77 S C 0.727 175.313 174.600 -0.024 0.000 1.035 77 S CA 0.938 59.117 58.200 -0.034 0.000 1.018 77 S CB -0.670 62.507 63.200 -0.038 0.000 0.876 77 S HN 0.833 nan 8.310 nan 0.000 0.448 78 N N 0.113 118.808 118.700 -0.008 0.000 2.471 78 N HA 0.516 5.256 4.740 -0.001 0.000 0.288 78 N C -1.150 174.385 175.510 0.042 0.000 1.220 78 N CA -0.408 52.651 53.050 0.014 0.000 0.893 78 N CB 1.298 39.792 38.487 0.011 0.000 1.256 78 N HN 0.196 nan 8.380 nan 0.000 0.534 79 L N 0.627 121.894 121.223 0.073 0.000 2.401 79 L HA 0.617 4.957 4.340 -0.001 0.000 0.266 79 L C -0.868 176.027 176.870 0.043 0.000 0.991 79 L CA -0.982 53.902 54.840 0.074 0.000 0.818 79 L CB 2.416 44.565 42.059 0.150 0.000 1.321 79 L HN 0.128 nan 8.230 nan 0.000 0.413 80 V N 4.923 124.861 119.914 0.040 0.000 2.655 80 V HA 0.585 4.705 4.120 -0.001 0.000 0.301 80 V C -1.289 174.841 176.094 0.061 0.000 1.082 80 V CA -0.115 62.224 62.300 0.064 0.000 0.899 80 V CB 2.095 34.048 31.823 0.216 0.000 1.014 80 V HN 0.589 nan 8.190 nan 0.000 0.429 81 L N 4.590 125.786 121.223 -0.044 0.000 2.409 81 L HA 0.656 4.995 4.340 -0.001 0.000 0.262 81 L C -0.255 176.541 176.870 -0.123 0.000 0.992 81 L CA -0.560 54.272 54.840 -0.014 0.000 0.817 81 L CB 2.508 44.449 42.059 -0.197 0.000 1.350 81 L HN 0.598 nan 8.230 nan 0.000 0.411 82 S N 2.076 117.697 115.700 -0.131 0.000 2.426 82 S HA 0.400 4.869 4.470 -0.001 0.000 0.236 82 S C -2.049 172.364 174.600 -0.312 0.000 1.368 82 S CA -1.461 56.455 58.200 -0.474 0.000 1.154 82 S CB 0.784 63.491 63.200 -0.821 0.000 1.037 82 S HN 0.322 nan 8.310 nan 0.000 0.481 83 P HA -0.072 nan 4.420 nan 0.000 0.219 83 P C 1.501 178.859 177.300 0.097 0.000 1.146 83 P CA 0.357 63.361 63.100 -0.161 0.000 0.808 83 P CB 0.140 31.652 31.700 -0.312 0.000 0.779 84 L N -0.339 120.893 121.223 0.015 0.000 1.989 84 L HA -0.184 4.155 4.340 -0.001 0.000 0.211 84 L C 2.476 179.372 176.870 0.044 0.000 1.071 84 L CA 2.280 57.166 54.840 0.077 0.000 0.749 84 L CB -1.367 40.753 42.059 0.103 0.000 0.890 84 L HN -0.055 nan 8.230 nan 0.000 0.431 85 S N -1.230 114.443 115.700 -0.044 0.000 2.370 85 S HA -0.173 4.296 4.470 -0.001 0.000 0.226 85 S C 1.939 176.510 174.600 -0.048 0.000 1.033 85 S CA 1.630 59.801 58.200 -0.048 0.000 1.011 85 S CB -0.570 62.613 63.200 -0.028 0.000 0.852 85 S HN 0.334 nan 8.310 nan 0.000 0.457 86 V N 2.251 122.101 119.914 -0.106 0.000 2.343 86 V HA -0.118 4.001 4.120 -0.001 0.000 0.247 86 V C 2.999 179.107 176.094 0.022 0.000 1.051 86 V CA 1.738 64.007 62.300 -0.051 0.000 1.036 86 V CB -1.538 30.263 31.823 -0.037 0.000 0.654 86 V HN 0.649 nan 8.190 nan 0.000 0.451 87 A N -0.362 122.490 122.820 0.052 0.000 1.877 87 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 87 A C 2.272 179.817 177.584 -0.065 0.000 1.186 87 A CA 2.056 54.023 52.037 -0.117 0.000 0.620 87 A CB -0.607 18.327 19.000 -0.109 0.000 0.822 87 A HN 0.481 nan 8.150 nan 0.000 0.443 88 L N -0.713 120.507 121.223 -0.006 0.000 2.042 88 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 88 L C 2.904 179.749 176.870 -0.042 0.000 1.076 88 L CA 1.471 56.314 54.840 0.006 0.000 0.749 88 L CB -0.327 41.732 42.059 0.000 0.000 0.893 88 L HN 0.428 nan 8.230 nan 0.000 0.432 89 A N -0.275 122.531 122.820 -0.024 0.000 1.877 89 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 89 A C 2.117 179.699 177.584 -0.004 0.000 1.186 89 A CA 1.627 53.660 52.037 -0.006 0.000 0.620 89 A CB -0.847 18.147 19.000 -0.011 0.000 0.822 89 A HN 0.465 nan 8.150 nan 0.000 0.443 90 L N 0.779 121.984 121.223 -0.030 0.000 2.187 90 L HA -0.183 4.157 4.340 -0.001 0.000 0.213 90 L C 2.865 179.713 176.870 -0.037 0.000 1.100 90 L CA 1.415 56.228 54.840 -0.046 0.000 0.765 90 L CB -0.496 41.498 42.059 -0.109 0.000 0.904 90 L HN 0.632 nan 8.230 nan 0.000 0.437 91 S N -1.966 113.713 115.700 -0.035 0.000 2.428 91 S HA -0.180 4.290 4.470 -0.001 0.000 0.230 91 S C 1.907 176.556 174.600 0.082 0.000 1.014 91 S CA 0.484 58.696 58.200 0.019 0.000 0.957 91 S CB -0.505 62.741 63.200 0.077 0.000 0.784 91 S HN 0.462 nan 8.310 nan 0.000 0.499 92 H N 1.572 120.558 119.070 -0.140 0.000 2.319 92 H HA 0.017 4.572 4.556 -0.001 0.000 0.299 92 H C 2.107 177.515 175.328 0.133 0.000 1.092 92 H CA 1.947 57.928 56.048 -0.112 0.000 1.302 92 H CB -0.273 29.317 29.762 -0.286 0.000 1.373 92 H HN 0.400 nan 8.280 nan 0.000 0.497 93 L N 0.001 121.329 121.223 0.176 0.000 2.056 93 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 93 L C 2.988 179.912 176.870 0.090 0.000 1.078 93 L CA 0.849 55.747 54.840 0.097 0.000 0.749 93 L CB -0.511 41.549 42.059 0.002 0.000 0.901 93 L HN 0.204 nan 8.230 nan 0.000 0.433 94 A N 0.149 123.012 122.820 0.072 0.000 1.940 94 A HA -0.255 4.064 4.320 -0.001 0.000 0.219 94 A C 2.222 179.891 177.584 0.141 0.000 1.176 94 A CA 1.804 53.879 52.037 0.064 0.000 0.631 94 A CB -0.738 18.256 19.000 -0.010 0.000 0.814 94 A HN 0.362 nan 8.150 nan 0.000 0.446 95 L N -0.479 120.881 121.223 0.229 0.000 2.191 95 L HA -0.016 4.324 4.340 -0.001 0.000 0.212 95 L C 1.929 179.000 176.870 0.335 0.000 1.103 95 L CA 2.166 57.187 54.840 0.302 0.000 0.769 95 L CB -0.384 41.899 42.059 0.374 0.000 0.908 95 L HN 0.272 nan 8.230 nan 0.000 0.438 96 G N -1.705 107.251 108.800 0.260 0.000 3.192 96 G HA2 0.452 4.412 3.960 -0.001 0.000 0.239 96 G HA3 0.452 4.412 3.960 -0.001 0.000 0.239 96 G C 0.412 175.284 174.900 -0.046 0.000 1.084 96 G CA 0.297 45.393 45.100 -0.005 0.000 0.784 96 G HN 0.552 nan 8.290 nan 0.000 0.540 97 A N -0.074 122.758 122.820 0.020 0.000 2.322 97 A HA 0.792 5.111 4.320 -0.001 0.000 0.269 97 A C -0.040 177.560 177.584 0.027 0.000 1.094 97 A CA -0.147 51.893 52.037 0.005 0.000 0.807 97 A CB 0.804 19.815 19.000 0.019 0.000 1.047 97 A HN 0.328 nan 8.150 nan 0.000 0.487 98 Q N 0.041 119.850 119.800 0.015 0.000 2.544 98 Q HA 0.374 4.714 4.340 -0.001 0.000 0.291 98 Q C -0.013 176.003 176.000 0.028 0.000 1.068 98 Q CA -0.839 54.979 55.803 0.025 0.000 0.785 98 Q CB 1.932 30.677 28.738 0.011 0.000 1.481 98 Q HN 1.046 nan 8.270 nan 0.000 0.430 99 N N 0.216 118.935 118.700 0.031 0.000 1.149 99 N HA -0.360 4.380 4.740 -0.001 0.000 0.118 99 N C 0.983 176.523 175.510 0.049 0.000 0.756 99 N CA 1.465 54.532 53.050 0.028 0.000 0.861 99 N CB -0.762 37.730 38.487 0.007 0.000 1.099 99 N HN 0.798 nan 8.380 nan 0.000 0.597 100 Q N 1.222 121.036 119.800 0.023 0.000 2.167 100 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 100 Q C 1.545 177.582 176.000 0.061 0.000 0.970 100 Q CA 2.604 58.423 55.803 0.027 0.000 0.855 100 Q CB -0.845 27.878 28.738 -0.025 0.000 0.911 100 Q HN 0.658 nan 8.270 nan 0.000 0.438 101 T N 2.370 116.942 114.554 0.030 0.000 2.674 101 T HA -0.120 4.230 4.350 -0.001 0.000 0.265 101 T C 1.893 176.623 174.700 0.050 0.000 1.039 101 T CA 1.478 63.586 62.100 0.014 0.000 1.150 101 T CB -0.392 68.462 68.868 -0.023 0.000 0.864 101 T HN 0.258 nan 8.240 nan 0.000 0.427 102 L N 1.065 122.334 121.223 0.076 0.000 1.989 102 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 102 L C 2.361 179.352 176.870 0.200 0.000 1.071 102 L CA 1.986 56.904 54.840 0.131 0.000 0.749 102 L CB -0.933 41.203 42.059 0.128 0.000 0.890 102 L HN 0.383 nan 8.230 nan 0.000 0.431 103 H N -0.547 118.565 119.070 0.070 0.000 2.319 103 H HA -0.173 4.382 4.556 -0.000 0.000 0.297 103 H C 2.337 177.703 175.328 0.064 0.000 1.097 103 H CA 2.139 58.218 56.048 0.050 0.000 1.285 103 H CB -0.141 29.622 29.762 0.002 0.000 1.368 103 H HN 0.643 nan 8.280 nan 0.000 0.495 104 S N 0.171 115.998 115.700 0.211 0.000 2.382 104 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 104 S C 2.572 177.190 174.600 0.030 0.000 1.027 104 S CA 1.161 59.435 58.200 0.124 0.000 0.991 104 S CB -0.785 62.461 63.200 0.075 0.000 0.823 104 S HN 0.391 nan 8.310 nan 0.000 0.469 105 L N 0.812 122.040 121.223 0.009 0.000 2.046 105 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 105 L C 3.081 179.870 176.870 -0.134 0.000 1.077 105 L CA 1.714 56.509 54.840 -0.075 0.000 0.747 105 L CB -0.727 41.279 42.059 -0.089 0.000 0.896 105 L HN 0.436 nan 8.230 nan 0.000 0.432 106 H N -0.596 118.402 119.070 -0.121 0.000 2.321 106 H HA -0.174 4.382 4.556 -0.001 0.000 0.300 106 H C 2.412 177.636 175.328 -0.172 0.000 1.087 106 H CA 1.734 57.692 56.048 -0.151 0.000 1.319 106 H CB 0.039 29.685 29.762 -0.194 0.000 1.379 106 H HN 0.262 nan 8.280 nan 0.000 0.501 107 R N 0.773 121.230 120.500 -0.072 0.000 2.073 107 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 107 R C 2.310 178.506 176.300 -0.174 0.000 1.134 107 R CA 1.333 57.363 56.100 -0.118 0.000 0.952 107 R CB -0.213 30.063 30.300 -0.041 0.000 0.850 107 R HN 0.029 nan 8.270 nan 0.000 0.433 108 V N 1.118 120.967 119.914 -0.110 0.000 2.427 108 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 108 V C 1.901 177.968 176.094 -0.045 0.000 1.051 108 V CA 1.384 63.643 62.300 -0.070 0.000 1.048 108 V CB -0.156 31.671 31.823 0.006 0.000 0.666 108 V HN 0.340 nan 8.190 nan 0.000 0.456 109 L N -0.436 120.695 121.223 -0.154 0.000 2.627 109 L HA 0.218 4.557 4.340 -0.001 0.000 0.232 109 L C 0.838 177.770 176.870 0.104 0.000 1.150 109 L CA 0.158 54.889 54.840 -0.180 0.000 0.917 109 L CB -0.745 41.088 42.059 -0.377 0.000 1.104 109 L HN 0.467 nan 8.230 nan 0.000 0.445 110 H N -1.459 117.613 119.070 0.004 0.000 2.776 110 H HA -0.212 4.344 4.556 -0.001 0.000 0.300 110 H C 0.437 175.780 175.328 0.026 0.000 1.161 110 H CA 0.428 56.500 56.048 0.040 0.000 1.147 110 H CB -0.953 28.859 29.762 0.084 0.000 1.366 110 H HN 0.340 nan 8.280 nan 0.000 0.397 111 M N 1.734 121.384 119.600 0.083 0.000 2.209 111 M HA 0.217 4.697 4.480 -0.001 0.000 0.355 111 M C 0.381 176.758 176.300 0.128 0.000 1.171 111 M CA -0.410 54.944 55.300 0.092 0.000 1.069 111 M CB 0.893 33.514 32.600 0.035 0.000 1.622 111 M HN 0.212 nan 8.290 nan 0.000 0.459 112 N N 1.533 120.287 118.700 0.089 0.000 2.357 112 N HA -0.052 4.688 4.740 -0.001 0.000 0.257 112 N C 0.715 176.237 175.510 0.020 0.000 1.250 112 N CA 0.942 54.016 53.050 0.039 0.000 0.862 112 N CB 0.729 39.230 38.487 0.023 0.000 1.066 112 N HN 0.780 nan 8.380 nan 0.000 0.468 113 T N -0.113 114.358 114.554 -0.139 0.000 3.163 113 T HA 0.061 4.411 4.350 -0.001 0.000 0.260 113 T C 1.615 176.167 174.700 -0.247 0.000 1.156 113 T CA 0.574 62.425 62.100 -0.415 0.000 1.072 113 T CB -0.363 68.237 68.868 -0.447 0.000 0.937 113 T HN 0.487 nan 8.240 nan 0.000 0.528 114 G N 0.605 109.343 108.800 -0.104 0.000 2.623 114 G HA2 0.189 4.149 3.960 -0.001 0.000 0.214 114 G HA3 0.189 4.149 3.960 -0.001 0.000 0.214 114 G C 0.624 175.508 174.900 -0.026 0.000 1.138 114 G CA -0.219 44.845 45.100 -0.061 0.000 0.794 114 G HN 0.524 nan 8.290 nan 0.000 0.535 115 S N -1.266 114.444 115.700 0.017 0.000 2.687 115 S HA 0.395 4.865 4.470 -0.001 0.000 0.283 115 S C -0.419 174.258 174.600 0.127 0.000 1.170 115 S CA -0.514 57.717 58.200 0.053 0.000 1.008 115 S CB 1.722 64.957 63.200 0.059 0.000 1.026 115 S HN 0.184 nan 8.310 nan 0.000 0.541 116 C N 4.333 123.685 119.300 0.087 0.000 2.223 116 C HA 0.444 4.904 4.460 -0.001 0.000 0.324 116 C C 1.764 176.840 174.990 0.143 0.000 1.196 116 C CA -0.667 58.425 59.018 0.123 0.000 1.628 116 C CB -2.163 25.590 27.740 0.021 0.000 2.229 116 C HN 0.959 nan 8.230 nan 0.000 0.486 117 L N 6.197 127.478 121.223 0.097 0.000 1.990 117 L HA -0.086 4.254 4.340 -0.001 0.000 0.213 117 L C -0.378 176.550 176.870 0.097 0.000 1.072 117 L CA 2.037 56.883 54.840 0.010 0.000 0.755 117 L CB -1.401 40.553 42.059 -0.174 0.000 0.889 117 L HN 0.495 nan 8.230 nan 0.000 0.432 118 P HA -0.158 nan 4.420 nan 0.000 0.214 118 P C 1.180 178.507 177.300 0.043 0.000 1.163 118 P CA 1.592 64.780 63.100 0.148 0.000 0.883 118 P CB -0.062 31.693 31.700 0.091 0.000 0.788 119 H N -1.000 118.070 119.070 0.002 0.000 2.267 119 H HA -0.082 4.474 4.556 -0.001 0.000 0.297 119 H C 2.045 177.421 175.328 0.079 0.000 1.080 119 H CA 1.283 57.333 56.048 0.003 0.000 1.278 119 H CB -1.253 28.503 29.762 -0.011 0.000 1.365 119 H HN -0.029 nan 8.280 nan 0.000 0.489 120 L N -0.200 121.150 121.223 0.211 0.000 1.971 120 L HA -0.251 4.089 4.340 -0.001 0.000 0.215 120 L C 2.408 179.425 176.870 0.246 0.000 1.072 120 L CA 1.476 56.426 54.840 0.182 0.000 0.758 120 L CB -0.672 41.455 42.059 0.113 0.000 0.889 120 L HN 0.255 nan 8.230 nan 0.000 0.433 121 L N -0.989 120.359 121.223 0.209 0.000 2.056 121 L HA -0.211 4.129 4.340 -0.001 0.000 0.207 121 L C 2.899 179.979 176.870 0.351 0.000 1.078 121 L CA 1.373 56.371 54.840 0.263 0.000 0.749 121 L CB -0.471 41.699 42.059 0.186 0.000 0.901 121 L HN 0.282 nan 8.230 nan 0.000 0.433 122 S N -1.045 114.819 115.700 0.273 0.000 2.348 122 S HA -0.298 4.172 4.470 -0.001 0.000 0.221 122 S C 2.217 176.958 174.600 0.234 0.000 1.033 122 S CA 1.414 59.751 58.200 0.228 0.000 1.010 122 S CB -0.456 62.706 63.200 -0.064 0.000 0.891 122 S HN 0.527 nan 8.310 nan 0.000 0.442 123 H N -0.387 118.762 119.070 0.132 0.000 2.352 123 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 123 H C 2.060 177.486 175.328 0.164 0.000 1.097 123 H CA 2.001 58.121 56.048 0.120 0.000 1.311 123 H CB -0.650 29.182 29.762 0.117 0.000 1.377 123 H HN 0.589 nan 8.280 nan 0.000 0.504 124 F N 0.787 120.858 119.950 0.201 0.000 2.102 124 F HA -0.259 4.268 4.527 0.000 0.000 0.298 124 F C 2.504 178.369 175.800 0.108 0.000 1.105 124 F CA 1.842 59.935 58.000 0.155 0.000 1.239 124 F CB -1.031 38.083 39.000 0.190 0.000 0.991 124 F HN 0.140 nan 8.300 nan 0.000 0.474 125 Y N 1.310 121.609 120.300 -0.002 0.000 2.145 125 Y HA -0.222 4.327 4.550 -0.001 0.000 0.286 125 Y C 2.535 178.350 175.900 -0.141 0.000 1.145 125 Y CA 2.218 60.261 58.100 -0.095 0.000 1.148 125 Y CB -0.811 37.716 38.460 0.111 0.000 0.981 125 Y HN 0.226 nan 8.280 nan 0.000 0.507 126 Q N -0.346 119.363 119.800 -0.152 0.000 2.226 126 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 126 Q C 1.137 176.939 176.000 -0.331 0.000 0.975 126 Q CA 1.643 57.309 55.803 -0.227 0.000 0.866 126 Q CB -0.249 28.426 28.738 -0.106 0.000 0.915 126 Q HN 0.573 nan 8.270 nan 0.000 0.440 127 N N -0.346 118.125 118.700 -0.382 0.000 2.322 127 N HA 0.094 4.833 4.740 -0.001 0.000 0.194 127 N C 0.914 176.234 175.510 -0.316 0.000 1.126 127 N CA -0.044 52.807 53.050 -0.332 0.000 0.845 127 N CB 0.328 38.610 38.487 -0.341 0.000 0.976 127 N HN 0.127 nan 8.380 nan 0.000 0.475 128 L N -0.057 120.913 121.223 -0.422 0.000 2.362 128 L HA 0.073 4.412 4.340 -0.001 0.000 0.219 128 L C 0.658 177.405 176.870 -0.205 0.000 1.134 128 L CA 0.199 54.829 54.840 -0.350 0.000 0.807 128 L CB -0.714 41.092 42.059 -0.423 0.000 0.927 128 L HN 0.242 nan 8.230 nan 0.000 0.447 129 G N 0.732 109.408 108.800 -0.206 0.000 2.999 129 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.686 129 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.686 129 G C -2.554 172.262 174.900 -0.139 0.000 1.057 129 G CA -0.773 44.243 45.100 -0.139 0.000 0.784 129 G HN 0.066 nan 8.290 nan 0.000 0.575 130 P HA 0.607 nan 4.420 nan 0.000 0.277 130 P C 1.122 178.365 177.300 -0.095 0.000 1.271 130 P CA 1.123 64.156 63.100 -0.111 0.000 0.795 130 P CB 0.862 32.506 31.700 -0.094 0.000 1.101 131 G N -1.444 107.312 108.800 -0.073 0.000 2.176 131 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.253 131 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.253 131 G C 0.666 175.533 174.900 -0.056 0.000 0.979 131 G CA 0.670 45.733 45.100 -0.060 0.000 0.641 131 G HN 0.604 nan 8.290 nan 0.000 0.530 132 T N -0.523 113.966 114.554 -0.109 0.000 3.115 132 T HA 0.410 4.760 4.350 -0.001 0.000 0.256 132 T C 0.836 175.367 174.700 -0.282 0.000 0.970 132 T CA 0.507 62.436 62.100 -0.285 0.000 1.010 132 T CB 0.557 69.215 68.868 -0.350 0.000 1.151 132 T HN 0.251 nan 8.240 nan 0.000 0.479 133 I N 3.192 123.750 120.570 -0.020 0.000 2.339 133 I HA 0.413 4.582 4.170 -0.001 0.000 0.290 133 I C -0.619 175.632 176.117 0.223 0.000 0.994 133 I CA -0.921 60.506 61.300 0.212 0.000 1.191 133 I CB 1.083 39.334 38.000 0.418 0.000 1.343 133 I HN -0.090 nan 8.210 nan 0.000 0.458 134 R N 7.221 127.863 120.500 0.235 0.000 2.338 134 R HA 0.639 4.978 4.340 -0.001 0.000 0.317 134 R C -1.001 175.415 176.300 0.192 0.000 0.968 134 R CA -0.773 55.435 56.100 0.181 0.000 0.849 134 R CB 1.929 32.281 30.300 0.088 0.000 1.128 134 R HN 0.586 nan 8.270 nan 0.000 0.448 135 L N 0.789 122.100 121.223 0.147 0.000 2.408 135 L HA 0.773 5.112 4.340 -0.001 0.000 0.268 135 L C -1.196 175.656 176.870 -0.030 0.000 0.986 135 L CA -0.569 54.296 54.840 0.042 0.000 0.820 135 L CB 2.124 44.112 42.059 -0.118 0.000 1.303 135 L HN 0.753 nan 8.230 nan 0.000 0.411 136 A N 4.293 127.086 122.820 -0.044 0.000 2.332 136 A HA 0.893 5.212 4.320 -0.001 0.000 0.300 136 A C -0.892 176.744 177.584 0.087 0.000 1.153 136 A CA -0.071 51.958 52.037 -0.014 0.000 0.764 136 A CB 1.321 20.235 19.000 -0.144 0.000 1.174 136 A HN 0.961 nan 8.150 nan 0.000 0.467 137 A N 2.801 125.735 122.820 0.189 0.000 2.357 137 A HA 0.850 5.170 4.320 -0.001 0.000 0.295 137 A C -0.406 177.135 177.584 -0.072 0.000 1.121 137 A CA -0.536 51.523 52.037 0.038 0.000 0.742 137 A CB 1.061 20.048 19.000 -0.021 0.000 1.181 137 A HN 0.851 nan 8.150 nan 0.000 0.454 138 R N 1.590 121.958 120.500 -0.220 0.000 2.698 138 R HA 0.687 5.027 4.340 -0.001 0.000 0.275 138 R C -1.673 174.413 176.300 -0.356 0.000 1.001 138 R CA -0.485 55.363 56.100 -0.419 0.000 0.896 138 R CB 1.412 31.366 30.300 -0.577 0.000 1.218 138 R HN 0.663 nan 8.270 nan 0.000 0.462 139 I N 4.159 124.479 120.570 -0.417 0.000 2.315 139 I HA 0.301 4.471 4.170 -0.001 0.000 0.291 139 I C -0.748 175.220 176.117 -0.248 0.000 1.006 139 I CA -0.552 60.622 61.300 -0.210 0.000 1.265 139 I CB 0.893 38.838 38.000 -0.091 0.000 1.387 139 I HN 0.518 nan 8.210 nan 0.000 0.475 140 Y N 6.505 126.741 120.300 -0.108 0.000 2.341 140 Y HA 0.585 5.135 4.550 -0.000 0.000 0.337 140 Y C -0.185 175.678 175.900 -0.061 0.000 1.014 140 Y CA -0.478 57.574 58.100 -0.082 0.000 1.111 140 Y CB 1.548 39.968 38.460 -0.066 0.000 1.194 140 Y HN 0.336 nan 8.280 nan 0.000 0.462 141 L N 2.822 124.088 121.223 0.072 0.000 2.354 141 L HA 0.419 4.759 4.340 -0.001 0.000 0.269 141 L C -0.129 176.791 176.870 0.082 0.000 1.005 141 L CA -1.068 53.783 54.840 0.020 0.000 0.819 141 L CB 2.084 44.141 42.059 -0.003 0.000 1.311 141 L HN 0.581 nan 8.230 nan 0.000 0.423 142 Q N 0.961 120.808 119.800 0.078 0.000 2.479 142 Q HA -0.022 4.317 4.340 -0.001 0.000 0.267 142 Q C 1.213 177.368 176.000 0.258 0.000 1.071 142 Q CA 0.951 56.868 55.803 0.190 0.000 0.935 142 Q CB 1.203 30.104 28.738 0.271 0.000 1.295 142 Q HN 0.702 nan 8.270 nan 0.000 0.476 143 K N 1.998 122.506 120.400 0.179 0.000 2.074 143 K HA -0.129 4.191 4.320 -0.001 0.000 0.209 143 K C 1.609 178.269 176.600 0.101 0.000 1.048 143 K CA 1.820 58.179 56.287 0.120 0.000 0.926 143 K CB -1.243 31.302 32.500 0.075 0.000 0.713 143 K HN 0.836 nan 8.250 nan 0.000 0.444 144 G N -0.839 108.007 108.800 0.076 0.000 3.124 144 G HA2 0.364 4.324 3.960 -0.001 0.000 0.212 144 G HA3 0.364 4.324 3.960 -0.001 0.000 0.212 144 G C -0.130 174.613 174.900 -0.262 0.000 1.181 144 G CA -0.407 44.628 45.100 -0.108 0.000 0.803 144 G HN 0.356 nan 8.290 nan 0.000 0.529 145 F N 2.068 122.022 119.950 0.007 0.000 2.332 145 F HA 0.355 4.882 4.527 -0.001 0.000 0.368 145 F C -1.859 173.943 175.800 0.003 0.000 1.110 145 F CA -2.755 55.246 58.000 0.001 0.000 1.087 145 F CB 2.071 41.070 39.000 -0.002 0.000 1.235 145 F HN -0.105 nan 8.300 nan 0.000 0.470 146 P HA 0.249 nan 4.420 nan 0.000 0.275 146 P C -0.476 176.884 177.300 0.101 0.000 1.227 146 P CA 0.046 63.195 63.100 0.081 0.000 0.781 146 P CB 1.386 33.108 31.700 0.037 0.000 0.906 147 I N 2.397 123.023 120.570 0.092 0.000 2.412 147 I HA 0.290 4.459 4.170 -0.001 0.000 0.296 147 I C 0.897 177.076 176.117 0.103 0.000 0.987 147 I CA -1.064 60.299 61.300 0.104 0.000 1.180 147 I CB 1.445 39.531 38.000 0.144 0.000 1.340 147 I HN 0.092 nan 8.210 nan 0.000 0.455 148 K N 3.116 123.582 120.400 0.109 0.000 2.412 148 K HA 0.112 4.432 4.320 -0.001 0.000 0.281 148 K C 0.978 177.665 176.600 0.145 0.000 1.027 148 K CA 0.528 56.881 56.287 0.110 0.000 0.989 148 K CB 0.709 33.266 32.500 0.094 0.000 0.935 148 K HN 0.817 nan 8.250 nan 0.000 0.475 149 D N 2.944 123.401 120.400 0.096 0.000 2.149 149 D HA -0.237 4.402 4.640 -0.001 0.000 0.198 149 D C 1.472 177.821 176.300 0.083 0.000 0.990 149 D CA 1.519 55.566 54.000 0.077 0.000 0.839 149 D CB -0.219 40.611 40.800 0.050 0.000 0.948 149 D HN 0.678 nan 8.370 nan 0.000 0.460 150 D N -1.501 118.957 120.400 0.098 0.000 2.149 150 D HA -0.107 4.533 4.640 -0.001 0.000 0.198 150 D C 1.737 178.115 176.300 0.131 0.000 0.990 150 D CA 0.867 54.925 54.000 0.097 0.000 0.839 150 D CB -0.256 40.604 40.800 0.101 0.000 0.948 150 D HN 0.480 nan 8.370 nan 0.000 0.460 151 F N 1.056 121.023 119.950 0.029 0.000 2.259 151 F HA -0.016 4.511 4.527 0.000 0.000 0.298 151 F C 2.187 178.011 175.800 0.040 0.000 1.088 151 F CA 0.650 58.673 58.000 0.039 0.000 1.358 151 F CB -0.210 38.815 39.000 0.043 0.000 1.040 151 F HN -0.105 nan 8.300 nan 0.000 0.505 152 L N -0.082 121.155 121.223 0.024 0.000 1.994 152 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 152 L C 2.392 179.202 176.870 -0.100 0.000 1.071 152 L CA 1.748 56.552 54.840 -0.061 0.000 0.745 152 L CB -0.847 41.222 42.059 0.017 0.000 0.892 152 L HN 0.085 nan 8.230 nan 0.000 0.431 153 E N -0.532 119.636 120.200 -0.053 0.000 2.077 153 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 153 E C 2.365 178.903 176.600 -0.104 0.000 0.989 153 E CA 0.993 57.359 56.400 -0.056 0.000 0.800 153 E CB 0.040 29.727 29.700 -0.022 0.000 0.746 153 E HN 0.400 nan 8.360 nan 0.000 0.452 154 Q N 0.082 119.805 119.800 -0.129 0.000 2.079 154 Q HA -0.066 4.274 4.340 -0.001 0.000 0.200 154 Q C 2.369 178.193 176.000 -0.294 0.000 0.974 154 Q CA 1.024 56.716 55.803 -0.185 0.000 0.840 154 Q CB -0.311 28.355 28.738 -0.121 0.000 0.898 154 Q HN 0.119 nan 8.270 nan 0.000 0.430 155 S N 1.139 116.635 115.700 -0.340 0.000 2.383 155 S HA -0.140 4.329 4.470 -0.001 0.000 0.229 155 S C 1.736 176.273 174.600 -0.105 0.000 1.030 155 S CA 0.890 58.963 58.200 -0.213 0.000 1.002 155 S CB -0.043 62.965 63.200 -0.319 0.000 0.829 155 S HN 0.322 nan 8.310 nan 0.000 0.467 156 E N 1.130 121.259 120.200 -0.118 0.000 2.038 156 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 156 E C 2.307 178.849 176.600 -0.097 0.000 1.000 156 E CA 0.925 57.285 56.400 -0.067 0.000 0.803 156 E CB -0.274 29.392 29.700 -0.056 0.000 0.750 156 E HN 0.424 nan 8.360 nan 0.000 0.448 157 R N 0.430 120.838 120.500 -0.153 0.000 2.081 157 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 157 R C 2.349 178.497 176.300 -0.254 0.000 1.131 157 R CA 1.164 57.163 56.100 -0.167 0.000 0.960 157 R CB -0.076 30.127 30.300 -0.162 0.000 0.856 157 R HN 0.132 nan 8.270 nan 0.000 0.436 158 L N -1.198 119.746 121.223 -0.464 0.000 2.463 158 L HA 0.147 4.487 4.340 -0.001 0.000 0.219 158 L C 0.750 177.181 176.870 -0.732 0.000 1.088 158 L CA 0.132 54.521 54.840 -0.753 0.000 0.849 158 L CB 0.318 41.606 42.059 -1.285 0.000 1.012 158 L HN 0.106 nan 8.230 nan 0.000 0.468 159 F N -0.887 118.997 119.950 -0.110 0.000 2.746 159 F HA 0.426 4.953 4.527 -0.000 0.000 0.320 159 F C 1.650 177.484 175.800 0.056 0.000 1.097 159 F CA -0.054 57.920 58.000 -0.043 0.000 1.195 159 F CB 0.171 39.097 39.000 -0.124 0.000 1.056 159 F HN 0.023 nan 8.300 nan 0.000 0.562 160 G N 0.771 109.657 108.800 0.143 0.000 2.212 160 G HA2 0.003 3.963 3.960 -0.001 0.000 0.266 160 G HA3 0.003 3.963 3.960 -0.001 0.000 0.266 160 G C 0.221 175.213 174.900 0.153 0.000 0.978 160 G CA 0.184 45.366 45.100 0.136 0.000 0.632 160 G HN 0.931 nan 8.290 nan 0.000 0.537 161 A N -2.002 120.914 122.820 0.160 0.000 2.605 161 A HA 0.978 5.298 4.320 -0.001 0.000 0.294 161 A C -0.285 177.313 177.584 0.023 0.000 1.062 161 A CA 0.837 52.939 52.037 0.108 0.000 0.682 161 A CB 0.549 19.661 19.000 0.188 0.000 1.278 161 A HN 1.761 nan 8.150 nan 0.000 0.410 162 K N 2.034 122.402 120.400 -0.054 0.000 2.118 162 K HA 0.815 5.135 4.320 -0.001 0.000 0.264 162 K C -2.693 173.793 176.600 -0.191 0.000 1.000 162 K CA -1.709 54.517 56.287 -0.100 0.000 0.929 162 K CB -0.259 32.195 32.500 -0.077 0.000 1.021 162 K HN 0.674 nan 8.250 nan 0.000 0.463 163 P HA 0.229 nan 4.420 nan 0.000 0.271 163 P C -0.666 176.461 177.300 -0.288 0.000 1.218 163 P CA -0.336 62.618 63.100 -0.244 0.000 0.780 163 P CB 0.747 32.431 31.700 -0.026 0.000 0.901 164 V N 3.289 122.901 119.914 -0.504 0.000 2.612 164 V HA 0.285 4.405 4.120 -0.001 0.000 0.301 164 V C 0.675 176.674 176.094 -0.158 0.000 1.046 164 V CA -0.644 61.422 62.300 -0.390 0.000 0.946 164 V CB 1.338 32.787 31.823 -0.622 0.000 1.003 164 V HN 0.418 nan 8.190 nan 0.000 0.459 165 K N 3.968 124.348 120.400 -0.034 0.000 2.227 165 K HA 0.535 4.855 4.320 -0.001 0.000 0.280 165 K C -0.815 175.843 176.600 0.096 0.000 1.041 165 K CA -0.414 55.902 56.287 0.050 0.000 0.905 165 K CB 1.181 33.714 32.500 0.055 0.000 1.068 165 K HN 0.476 nan 8.250 nan 0.000 0.470 166 L N 2.500 123.802 121.223 0.132 0.000 2.453 166 L HA -0.014 4.325 4.340 -0.001 0.000 0.272 166 L C 2.009 178.933 176.870 0.089 0.000 1.182 166 L CA -0.044 54.872 54.840 0.128 0.000 0.858 166 L CB 0.582 42.710 42.059 0.115 0.000 1.120 166 L HN 0.839 nan 8.230 nan 0.000 0.474 167 T N -1.716 112.882 114.554 0.073 0.000 2.867 167 T HA 0.001 4.351 4.350 -0.001 0.000 0.268 167 T C 1.233 175.961 174.700 0.048 0.000 1.057 167 T CA 0.601 62.734 62.100 0.055 0.000 1.136 167 T CB -0.121 68.775 68.868 0.047 0.000 0.874 167 T HN 1.018 nan 8.240 nan 0.000 0.466 168 G N 0.035 108.864 108.800 0.048 0.000 2.141 168 G HA2 0.250 4.210 3.960 -0.001 0.000 0.195 168 G HA3 0.250 4.210 3.960 -0.001 0.000 0.195 168 G C -0.030 174.888 174.900 0.030 0.000 1.012 168 G CA 0.164 45.289 45.100 0.042 0.000 0.696 168 G HN 1.126 nan 8.290 nan 0.000 0.508 169 K N -0.347 120.068 120.400 0.026 0.000 2.613 169 K HA 0.761 5.081 4.320 -0.001 0.000 0.248 169 K C 0.946 177.553 176.600 0.012 0.000 0.959 169 K CA 0.557 56.854 56.287 0.018 0.000 0.855 169 K CB 0.937 33.448 32.500 0.018 0.000 1.143 169 K HN 0.586 nan 8.250 nan 0.000 0.437 170 Q N 0.189 119.992 119.800 0.006 0.000 2.173 170 Q HA -0.247 4.093 4.340 -0.001 0.000 0.208 170 Q C 2.730 178.728 176.000 -0.004 0.000 0.989 170 Q CA 2.796 58.598 55.803 -0.002 0.000 0.872 170 Q CB -0.578 28.157 28.738 -0.004 0.000 0.909 170 Q HN 1.067 nan 8.270 nan 0.000 0.420 171 E N 0.520 120.721 120.200 0.002 0.000 2.028 171 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 171 E C 2.087 178.691 176.600 0.007 0.000 0.988 171 E CA 1.894 58.295 56.400 0.003 0.000 0.799 171 E CB -1.163 28.540 29.700 0.005 0.000 0.755 171 E HN 0.837 nan 8.360 nan 0.000 0.447 172 E N 1.370 121.578 120.200 0.012 0.000 2.106 172 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 172 E C 1.999 178.611 176.600 0.021 0.000 0.984 172 E CA 1.331 57.743 56.400 0.020 0.000 0.806 172 E CB -0.652 29.063 29.700 0.025 0.000 0.750 172 E HN 0.567 nan 8.360 nan 0.000 0.458 173 D N 0.100 120.507 120.400 0.011 0.000 2.117 173 D HA -0.037 4.603 4.640 -0.001 0.000 0.198 173 D C 2.132 178.410 176.300 -0.036 0.000 0.982 173 D CA 0.726 54.724 54.000 -0.004 0.000 0.828 173 D CB -0.147 40.647 40.800 -0.010 0.000 0.967 173 D HN 0.377 nan 8.370 nan 0.000 0.464 174 L N 0.725 121.931 121.223 -0.028 0.000 2.042 174 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 174 L C 2.497 179.367 176.870 0.001 0.000 1.076 174 L CA 1.280 56.103 54.840 -0.028 0.000 0.749 174 L CB -0.286 41.761 42.059 -0.021 0.000 0.893 174 L HN -0.019 nan 8.230 nan 0.000 0.432 175 A N -0.186 122.643 122.820 0.016 0.000 1.898 175 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 175 A C 2.020 179.639 177.584 0.059 0.000 1.181 175 A CA 1.697 53.755 52.037 0.036 0.000 0.620 175 A CB -0.522 18.497 19.000 0.032 0.000 0.819 175 A HN 0.433 nan 8.150 nan 0.000 0.442 176 N N 0.260 118.997 118.700 0.060 0.000 2.120 176 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 176 N C 1.645 177.241 175.510 0.144 0.000 1.024 176 N CA 1.574 54.686 53.050 0.104 0.000 0.852 176 N CB -0.480 38.070 38.487 0.104 0.000 1.003 176 N HN 0.564 nan 8.380 nan 0.000 0.424 177 I N 1.545 122.142 120.570 0.045 0.000 2.113 177 I HA -0.274 3.896 4.170 -0.001 0.000 0.238 177 I C 1.840 178.064 176.117 0.178 0.000 1.070 177 I CA 1.004 62.314 61.300 0.017 0.000 1.332 177 I CB -0.276 37.590 38.000 -0.223 0.000 1.044 177 I HN 0.117 nan 8.210 nan 0.000 0.402 178 N N 0.706 119.488 118.700 0.136 0.000 2.104 178 N HA -0.253 4.487 4.740 -0.001 0.000 0.190 178 N C 2.085 177.673 175.510 0.129 0.000 1.024 178 N CA 1.976 55.117 53.050 0.150 0.000 0.853 178 N CB -0.766 37.787 38.487 0.110 0.000 1.008 178 N HN 0.532 nan 8.380 nan 0.000 0.424 179 Q N 0.667 120.544 119.800 0.128 0.000 2.061 179 Q HA -0.176 4.163 4.340 -0.001 0.000 0.204 179 Q C 1.929 178.013 176.000 0.140 0.000 0.984 179 Q CA 1.983 57.854 55.803 0.114 0.000 0.846 179 Q CB -1.755 27.053 28.738 0.116 0.000 0.902 179 Q HN 0.679 nan 8.270 nan 0.000 0.421 180 W N 0.238 121.569 121.300 0.052 0.000 2.388 180 W HA -0.087 4.572 4.660 -0.001 0.000 0.294 180 W C 2.022 178.554 176.519 0.022 0.000 1.212 180 W CA 1.832 59.211 57.345 0.056 0.000 1.271 180 W CB 0.143 29.670 29.460 0.113 0.000 1.126 180 W HN 0.196 nan 8.180 nan 0.000 0.535 181 V N 1.036 121.027 119.914 0.128 0.000 2.427 181 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 181 V C 2.355 178.339 176.094 -0.183 0.000 1.051 181 V CA 2.220 64.449 62.300 -0.118 0.000 1.048 181 V CB -1.012 30.765 31.823 -0.076 0.000 0.666 181 V HN 0.178 nan 8.190 nan 0.000 0.456 182 K N 0.277 120.626 120.400 -0.086 0.000 2.063 182 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 182 K C 2.134 178.642 176.600 -0.154 0.000 1.048 182 K CA 1.906 58.140 56.287 -0.088 0.000 0.928 182 K CB -0.085 32.397 32.500 -0.030 0.000 0.713 182 K HN 0.564 nan 8.250 nan 0.000 0.442 183 E N -0.514 119.561 120.200 -0.208 0.000 2.107 183 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 183 E C 1.759 178.153 176.600 -0.343 0.000 0.982 183 E CA 0.961 57.214 56.400 -0.244 0.000 0.809 183 E CB 0.011 29.574 29.700 -0.229 0.000 0.756 183 E HN 0.409 nan 8.360 nan 0.000 0.459 184 A N 0.871 123.350 122.820 -0.568 0.000 2.123 184 A HA -0.052 4.268 4.320 -0.001 0.000 0.214 184 A C 2.099 179.496 177.584 -0.313 0.000 1.152 184 A CA 1.248 52.940 52.037 -0.576 0.000 0.728 184 A CB -0.260 18.073 19.000 -1.111 0.000 0.814 184 A HN 0.298 nan 8.150 nan 0.000 0.464 185 T N -3.239 111.163 114.554 -0.253 0.000 3.069 185 T HA 0.271 4.620 4.350 -0.001 0.000 0.252 185 T C 0.145 174.761 174.700 -0.140 0.000 1.053 185 T CA 0.407 62.419 62.100 -0.146 0.000 0.964 185 T CB -0.341 68.456 68.868 -0.119 0.000 1.005 185 T HN 0.510 nan 8.240 nan 0.000 0.532 186 E N 0.672 120.782 120.200 -0.149 0.000 2.271 186 E HA -0.187 4.163 4.350 -0.001 0.000 0.223 186 E C 1.089 177.618 176.600 -0.117 0.000 1.223 186 E CA 0.334 56.662 56.400 -0.120 0.000 0.704 186 E CB -1.711 27.933 29.700 -0.093 0.000 1.194 186 E HN 0.852 nan 8.360 nan 0.000 0.375 187 G N -1.308 107.422 108.800 -0.117 0.000 2.317 187 G HA2 -0.490 3.469 3.960 -0.001 0.000 0.227 187 G HA3 -0.490 3.469 3.960 -0.001 0.000 0.227 187 G C 1.073 175.899 174.900 -0.123 0.000 1.042 187 G CA 0.923 45.963 45.100 -0.101 0.000 0.623 187 G HN 0.708 nan 8.290 nan 0.000 0.509 188 K N 0.104 120.386 120.400 -0.196 0.000 2.063 188 K HA 0.449 4.768 4.320 -0.001 0.000 0.208 188 K C 1.283 177.784 176.600 -0.165 0.000 1.048 188 K CA 1.692 57.788 56.287 -0.318 0.000 0.928 188 K CB -0.265 31.804 32.500 -0.720 0.000 0.713 188 K HN 0.852 nan 8.250 nan 0.000 0.442 189 I N 1.490 122.006 120.570 -0.089 0.000 2.354 189 I HA 0.227 4.396 4.170 -0.001 0.000 0.286 189 I C -0.757 175.373 176.117 0.022 0.000 1.007 189 I CA -0.613 60.691 61.300 0.007 0.000 1.167 189 I CB 1.858 39.883 38.000 0.041 0.000 1.320 189 I HN 0.361 nan 8.210 nan 0.000 0.458 190 E N 5.526 125.756 120.200 0.049 0.000 2.227 190 E HA 0.297 4.647 4.350 -0.001 0.000 0.268 190 E C -1.032 175.619 176.600 0.085 0.000 0.907 190 E CA -0.820 55.611 56.400 0.051 0.000 0.786 190 E CB 1.381 31.095 29.700 0.023 0.000 1.191 190 E HN 0.444 nan 8.360 nan 0.000 0.411 191 D N 1.748 122.201 120.400 0.088 0.000 2.705 191 D HA -0.213 4.427 4.640 -0.001 0.000 0.240 191 D C 0.224 176.593 176.300 0.115 0.000 1.137 191 D CA 0.449 54.498 54.000 0.081 0.000 0.677 191 D CB -0.976 39.845 40.800 0.036 0.000 1.049 191 D HN 0.452 nan 8.370 nan 0.000 0.427 192 F N 0.730 120.684 119.950 0.007 0.000 2.043 192 F HA -0.069 4.458 4.527 0.000 0.000 0.297 192 F C 1.413 177.210 175.800 -0.004 0.000 1.121 192 F CA 2.184 60.189 58.000 0.008 0.000 1.199 192 F CB -0.026 38.990 39.000 0.027 0.000 0.968 192 F HN 0.235 nan 8.300 nan 0.000 0.478 193 L N -1.396 119.735 121.223 -0.154 0.000 2.346 193 L HA 0.810 5.149 4.340 -0.001 0.000 0.276 193 L C 0.754 177.570 176.870 -0.090 0.000 1.006 193 L CA 0.221 54.926 54.840 -0.225 0.000 0.817 193 L CB 0.246 42.181 42.059 -0.206 0.000 1.272 193 L HN 1.021 nan 8.230 nan 0.000 0.421 194 S N 1.004 116.651 115.700 -0.088 0.000 1.196 194 S HA 0.029 4.499 4.470 -0.001 0.000 0.254 194 S C 0.329 174.878 174.600 -0.085 0.000 0.554 194 S CA 1.462 59.594 58.200 -0.113 0.000 0.946 194 S CB -1.484 61.601 63.200 -0.192 0.000 0.813 194 S HN 2.675 nan 8.310 nan 0.000 0.489 195 E N -1.063 119.086 120.200 -0.086 0.000 2.357 195 E HA 0.598 4.948 4.350 -0.001 0.000 0.275 195 E C -1.558 175.004 176.600 -0.063 0.000 1.208 195 E CA -0.509 55.854 56.400 -0.062 0.000 0.929 195 E CB 0.186 29.853 29.700 -0.055 0.000 1.283 195 E HN 1.670 nan 8.360 nan 0.000 0.411 196 L N 1.137 122.333 121.223 -0.046 0.000 2.614 196 L HA 0.595 4.935 4.340 -0.001 0.000 0.264 196 L C -2.915 173.940 176.870 -0.024 0.000 0.940 196 L CA -0.906 53.910 54.840 -0.040 0.000 0.903 196 L CB 1.634 43.666 42.059 -0.045 0.000 1.306 196 L HN 0.656 nan 8.230 nan 0.000 0.410 197 P HA 0.712 nan 4.420 nan 0.000 0.302 197 P C -1.218 176.083 177.300 0.003 0.000 1.307 197 P CA 0.213 63.308 63.100 -0.007 0.000 0.754 197 P CB 0.727 32.423 31.700 -0.007 0.000 1.298 198 D N -2.081 118.326 120.400 0.012 0.000 3.361 198 D HA 0.373 5.013 4.640 -0.001 0.000 0.246 198 D C 0.140 176.460 176.300 0.033 0.000 1.395 198 D CA 0.294 54.308 54.000 0.024 0.000 0.839 198 D CB -0.499 40.316 40.800 0.025 0.000 1.469 198 D HN 0.353 nan 8.370 nan 0.000 0.636 199 S N -0.865 114.856 115.700 0.036 0.000 3.261 199 S HA -0.150 4.319 4.470 -0.001 0.000 0.287 199 S C 0.359 174.974 174.600 0.026 0.000 1.281 199 S CA 1.659 59.876 58.200 0.028 0.000 1.053 199 S CB -1.189 62.021 63.200 0.016 0.000 1.251 199 S HN 1.295 nan 8.310 nan 0.000 0.659 200 T N 0.233 114.807 114.554 0.033 0.000 2.928 200 T HA 0.588 4.938 4.350 -0.001 0.000 0.296 200 T C 0.638 175.347 174.700 0.014 0.000 1.000 200 T CA -0.126 61.986 62.100 0.021 0.000 0.989 200 T CB 2.053 70.932 68.868 0.019 0.000 1.005 200 T HN 0.033 nan 8.240 nan 0.000 0.442 201 V N 2.496 122.386 119.914 -0.039 0.000 3.050 201 V HA 0.486 4.606 4.120 -0.001 0.000 0.223 201 V C 0.193 176.155 176.094 -0.221 0.000 1.162 201 V CA -0.135 62.063 62.300 -0.171 0.000 1.247 201 V CB 0.064 31.759 31.823 -0.213 0.000 1.125 201 V HN 0.641 nan 8.190 nan 0.000 0.508 202 L N 1.731 122.858 121.223 -0.160 0.000 2.325 202 L HA 0.656 4.995 4.340 -0.001 0.000 0.281 202 L C -1.334 175.528 176.870 -0.014 0.000 1.004 202 L CA -0.633 54.143 54.840 -0.108 0.000 0.823 202 L CB 1.706 43.681 42.059 -0.142 0.000 1.236 202 L HN 0.303 nan 8.230 nan 0.000 0.415 203 L N 5.864 127.105 121.223 0.030 0.000 2.305 203 L HA 0.536 4.876 4.340 -0.001 0.000 0.284 203 L C -1.402 175.521 176.870 0.088 0.000 1.013 203 L CA -0.266 54.616 54.840 0.070 0.000 0.819 203 L CB 1.654 43.758 42.059 0.075 0.000 1.227 203 L HN 0.616 nan 8.230 nan 0.000 0.417 204 L N 6.240 127.511 121.223 0.081 0.000 2.276 204 L HA 0.565 4.904 4.340 -0.001 0.000 0.286 204 L C -1.263 175.674 176.870 0.111 0.000 1.024 204 L CA -0.020 54.852 54.840 0.053 0.000 0.826 204 L CB 0.893 42.971 42.059 0.030 0.000 1.211 204 L HN 0.610 nan 8.230 nan 0.000 0.422 205 L N 5.274 126.569 121.223 0.120 0.000 2.322 205 L HA 0.554 4.893 4.340 -0.001 0.000 0.279 205 L C -0.115 176.814 176.870 0.098 0.000 1.036 205 L CA -0.448 54.513 54.840 0.202 0.000 0.807 205 L CB 1.498 43.700 42.059 0.238 0.000 1.226 205 L HN 0.670 nan 8.230 nan 0.000 0.433 206 N N 2.122 120.906 118.700 0.140 0.000 2.572 206 N HA 0.568 5.307 4.740 -0.001 0.000 0.287 206 N C -1.817 173.728 175.510 0.059 0.000 1.136 206 N CA -0.223 52.892 53.050 0.108 0.000 0.900 206 N CB 1.942 40.558 38.487 0.216 0.000 1.484 206 N HN 0.719 nan 8.380 nan 0.000 0.526 207 A N 3.945 126.682 122.820 -0.140 0.000 2.371 207 A HA 0.753 5.073 4.320 -0.001 0.000 0.311 207 A C -1.154 176.429 177.584 -0.002 0.000 1.068 207 A CA -0.652 51.302 52.037 -0.137 0.000 0.744 207 A CB 1.265 20.022 19.000 -0.405 0.000 1.239 207 A HN 0.666 nan 8.150 nan 0.000 0.435 208 I N 1.853 122.477 120.570 0.090 0.000 2.619 208 I HA 0.424 4.594 4.170 -0.001 0.000 0.292 208 I C -1.387 174.931 176.117 0.334 0.000 1.100 208 I CA -0.411 61.016 61.300 0.211 0.000 1.043 208 I CB 1.755 39.888 38.000 0.221 0.000 1.239 208 I HN 0.859 nan 8.210 nan 0.000 0.420 209 H N 7.375 126.587 119.070 0.235 0.000 2.529 209 H HA 0.397 4.953 4.556 -0.001 0.000 0.348 209 H C -2.188 173.265 175.328 0.208 0.000 1.079 209 H CA -0.477 55.678 56.048 0.178 0.000 1.198 209 H CB 1.988 31.784 29.762 0.057 0.000 1.521 209 H HN 0.569 nan 8.280 nan 0.000 0.514 210 F N 5.604 125.197 119.950 -0.596 0.000 2.493 210 F HA 0.336 4.863 4.527 -0.000 0.000 0.329 210 F C -1.329 174.107 175.800 -0.607 0.000 1.126 210 F CA -0.445 57.244 58.000 -0.518 0.000 0.937 210 F CB 0.899 39.401 39.000 -0.829 0.000 1.146 210 F HN 0.672 nan 8.300 nan 0.000 0.442 211 H N 4.335 122.806 119.070 -0.998 0.000 3.096 211 H HA 0.525 5.081 4.556 -0.000 0.000 0.335 211 H C -0.708 173.940 175.328 -1.133 0.000 0.990 211 H CA -0.784 54.748 56.048 -0.861 0.000 1.393 211 H CB 1.265 30.771 29.762 -0.426 0.000 1.742 211 H HN 0.896 nan 8.280 nan 0.000 0.501 212 G N 2.748 110.843 108.800 -1.176 0.000 2.667 212 G HA2 0.469 4.429 3.960 -0.001 0.000 0.310 212 G HA3 0.469 4.429 3.960 -0.001 0.000 0.310 212 G C -1.475 172.897 174.900 -0.879 0.000 1.259 212 G CA -0.652 43.737 45.100 -1.186 0.000 1.019 212 G HN 0.402 nan 8.290 nan 0.000 0.496 213 F N -0.241 119.484 119.950 -0.375 0.000 2.427 213 F HA 0.368 4.896 4.527 0.000 0.000 0.348 213 F C -0.184 175.710 175.800 0.157 0.000 1.125 213 F CA -0.761 57.152 58.000 -0.145 0.000 0.989 213 F CB 1.390 40.331 39.000 -0.098 0.000 1.165 213 F HN 0.416 nan 8.300 nan 0.000 0.442 214 W N 4.111 125.701 121.300 0.483 0.000 2.231 214 W HA 0.132 4.792 4.660 -0.000 0.000 0.341 214 W C 1.898 178.584 176.519 0.277 0.000 1.298 214 W CA -0.402 57.166 57.345 0.372 0.000 1.266 214 W CB 0.450 30.092 29.460 0.303 0.000 1.172 214 W HN 0.579 nan 8.180 nan 0.000 0.568 215 R N 0.513 121.314 120.500 0.502 0.000 2.091 215 R HA -0.112 4.228 4.340 -0.001 0.000 0.238 215 R C 0.080 176.484 176.300 0.173 0.000 1.136 215 R CA 1.304 57.570 56.100 0.277 0.000 0.959 215 R CB -0.230 30.195 30.300 0.208 0.000 0.856 215 R HN 0.383 nan 8.270 nan 0.000 0.437 216 T N 2.425 117.064 114.554 0.141 0.000 2.809 216 T HA 0.199 4.549 4.350 -0.001 0.000 0.296 216 T C -0.938 173.797 174.700 0.057 0.000 1.015 216 T CA -0.770 61.291 62.100 -0.065 0.000 0.954 216 T CB 1.660 70.215 68.868 -0.520 0.000 0.950 216 T HN 0.251 nan 8.240 nan 0.000 0.450 217 K N 2.370 122.842 120.400 0.121 0.000 2.180 217 K HA 0.429 4.749 4.320 -0.001 0.000 0.251 217 K C -0.946 175.660 176.600 0.009 0.000 1.014 217 K CA -0.372 56.055 56.287 0.233 0.000 0.913 217 K CB 0.466 33.112 32.500 0.243 0.000 1.008 217 K HN 0.275 nan 8.250 nan 0.000 0.490 218 F N 0.577 120.626 119.950 0.165 0.000 2.399 218 F HA 0.100 4.627 4.527 -0.001 0.000 0.334 218 F C 0.608 176.441 175.800 0.055 0.000 1.097 218 F CA -0.491 57.539 58.000 0.051 0.000 1.076 218 F CB 1.196 40.174 39.000 -0.037 0.000 1.162 218 F HN 0.612 nan 8.300 nan 0.000 0.495 219 D N 5.281 125.794 120.400 0.187 0.000 2.344 219 D HA 0.103 4.742 4.640 -0.001 0.000 0.253 219 D C -1.585 174.790 176.300 0.125 0.000 1.255 219 D CA -2.021 52.050 54.000 0.119 0.000 0.894 219 D CB 1.213 42.051 40.800 0.063 0.000 1.067 219 D HN 0.173 nan 8.370 nan 0.000 0.492 220 P HA -0.077 nan 4.420 nan 0.000 0.225 220 P C 1.027 178.364 177.300 0.062 0.000 1.148 220 P CA 0.448 63.599 63.100 0.085 0.000 0.779 220 P CB 0.351 32.097 31.700 0.075 0.000 0.780 221 S N -0.438 115.298 115.700 0.061 0.000 2.515 221 S HA 0.061 4.531 4.470 -0.001 0.000 0.231 221 S C 1.657 176.292 174.600 0.059 0.000 0.987 221 S CA 0.620 58.850 58.200 0.050 0.000 0.936 221 S CB -0.578 62.648 63.200 0.045 0.000 0.766 221 S HN 0.212 nan 8.310 nan 0.000 0.528 222 L N 0.774 122.044 121.223 0.077 0.000 2.585 222 L HA 0.127 4.466 4.340 -0.001 0.000 0.226 222 L C 0.377 177.309 176.870 0.102 0.000 1.113 222 L CA 0.153 55.057 54.840 0.106 0.000 0.876 222 L CB -0.443 41.700 42.059 0.139 0.000 1.072 222 L HN 0.097 nan 8.230 nan 0.000 0.468 223 T N 1.666 116.260 114.554 0.066 0.000 2.916 223 T HA 0.223 4.572 4.350 -0.001 0.000 0.303 223 T C 0.007 174.723 174.700 0.026 0.000 1.025 223 T CA 0.294 62.415 62.100 0.035 0.000 1.142 223 T CB 0.940 69.809 68.868 0.002 0.000 0.947 223 T HN 0.193 nan 8.240 nan 0.000 0.544 224 Q N 1.204 121.017 119.800 0.021 0.000 2.421 224 Q HA 0.340 4.680 4.340 -0.001 0.000 0.280 224 Q C -0.750 175.229 176.000 -0.035 0.000 1.085 224 Q CA -1.241 54.559 55.803 -0.004 0.000 0.807 224 Q CB 1.893 30.633 28.738 0.003 0.000 1.405 224 Q HN 0.333 nan 8.270 nan 0.000 0.419 225 K N 1.862 122.221 120.400 -0.069 0.000 2.416 225 K HA 0.169 4.489 4.320 -0.001 0.000 0.283 225 K C -0.772 175.718 176.600 -0.183 0.000 1.037 225 K CA 0.583 56.802 56.287 -0.113 0.000 0.995 225 K CB 0.336 32.759 32.500 -0.127 0.000 0.938 225 K HN 0.536 nan 8.250 nan 0.000 0.475 226 D N 1.239 121.522 120.400 -0.194 0.000 2.596 226 D HA 0.336 4.976 4.640 -0.001 0.000 0.262 226 D C -0.971 175.179 176.300 -0.251 0.000 1.210 226 D CA -0.680 53.154 54.000 -0.276 0.000 0.873 226 D CB 0.960 41.686 40.800 -0.123 0.000 1.408 226 D HN 0.169 nan 8.370 nan 0.000 0.441 227 F N 1.220 121.133 119.950 -0.062 0.000 2.456 227 F HA 0.314 4.841 4.527 -0.000 0.000 0.358 227 F C 0.326 176.094 175.800 -0.053 0.000 1.095 227 F CA -0.510 57.424 58.000 -0.109 0.000 1.216 227 F CB 0.676 39.531 39.000 -0.242 0.000 1.125 227 F HN 0.073 nan 8.300 nan 0.000 0.549 228 F N 4.039 124.026 119.950 0.062 0.000 2.467 228 F HA 0.357 4.884 4.527 -0.000 0.000 0.336 228 F C -0.257 175.563 175.800 0.034 0.000 1.123 228 F CA -0.817 57.228 58.000 0.075 0.000 0.964 228 F CB 0.555 39.618 39.000 0.103 0.000 1.136 228 F HN 0.353 nan 8.300 nan 0.000 0.447 229 H N 8.468 127.422 119.070 -0.193 0.000 2.846 229 H HA 0.197 4.753 4.556 -0.001 0.000 0.278 229 H C 1.100 176.485 175.328 0.095 0.000 1.117 229 H CA 0.052 56.104 56.048 0.006 0.000 1.406 229 H CB 1.345 31.166 29.762 0.099 0.000 1.445 229 H HN 0.779 nan 8.280 nan 0.000 0.469 230 L N 1.998 123.361 121.223 0.234 0.000 2.093 230 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 230 L C 0.646 177.492 176.870 -0.040 0.000 1.085 230 L CA 1.369 56.332 54.840 0.206 0.000 0.755 230 L CB -0.029 42.120 42.059 0.151 0.000 0.904 230 L HN 0.651 nan 8.230 nan 0.000 0.435 231 D N -3.646 116.557 120.400 -0.327 0.000 3.309 231 D HA 0.045 4.685 4.640 -0.001 0.000 0.335 231 D C 0.509 176.149 176.300 -1.099 0.000 1.393 231 D CA -0.605 52.713 54.000 -1.137 0.000 0.963 231 D CB 0.255 40.733 40.800 -0.537 0.000 1.431 231 D HN -0.245 nan 8.370 nan 0.000 0.583 232 E N -1.055 118.653 120.200 -0.819 0.000 2.153 232 E HA -0.000 4.349 4.350 -0.001 0.000 0.194 232 E C 1.597 178.097 176.600 -0.166 0.000 0.988 232 E CA 1.179 57.401 56.400 -0.295 0.000 0.811 232 E CB 0.104 29.742 29.700 -0.104 0.000 0.746 232 E HN 0.189 nan 8.360 nan 0.000 0.466 233 R N -0.936 119.451 120.500 -0.189 0.000 2.279 233 R HA 0.220 4.560 4.340 -0.001 0.000 0.195 233 R C -0.207 175.784 176.300 -0.514 0.000 0.905 233 R CA 0.198 56.093 56.100 -0.341 0.000 1.044 233 R CB 0.426 30.454 30.300 -0.452 0.000 1.056 233 R HN 0.105 nan 8.270 nan 0.000 0.535 234 F N 0.769 120.652 119.950 -0.112 0.000 2.495 234 F HA 0.343 4.870 4.527 -0.001 0.000 0.327 234 F C 0.708 176.464 175.800 -0.072 0.000 1.103 234 F CA -0.750 57.199 58.000 -0.086 0.000 0.949 234 F CB 1.937 40.894 39.000 -0.071 0.000 1.142 234 F HN -0.198 nan 8.300 nan 0.000 0.457 235 T N -0.226 114.382 114.554 0.091 0.000 2.930 235 T HA 0.836 5.185 4.350 -0.001 0.000 0.290 235 T C -1.278 173.526 174.700 0.174 0.000 1.052 235 T CA -0.898 61.235 62.100 0.055 0.000 1.017 235 T CB 1.902 70.695 68.868 -0.124 0.000 1.137 235 T HN 0.481 nan 8.240 nan 0.000 0.511 236 V N 1.281 121.327 119.914 0.220 0.000 3.001 236 V HA 0.758 4.878 4.120 -0.001 0.000 0.314 236 V C -0.215 175.988 176.094 0.182 0.000 1.099 236 V CA -0.676 61.732 62.300 0.180 0.000 0.989 236 V CB 2.555 34.461 31.823 0.138 0.000 1.040 236 V HN 1.342 nan 8.190 nan 0.000 0.434 237 S N 4.280 120.032 115.700 0.087 0.000 2.499 237 S HA 0.784 5.254 4.470 -0.001 0.000 0.279 237 S C -0.599 173.995 174.600 -0.010 0.000 1.219 237 S CA -0.308 57.894 58.200 0.004 0.000 1.062 237 S CB 1.242 64.406 63.200 -0.059 0.000 0.978 237 S HN 1.489 nan 8.310 nan 0.000 0.489 238 V N -0.781 119.125 119.914 -0.014 0.000 3.040 238 V HA 0.580 4.699 4.120 -0.001 0.000 0.312 238 V C -0.971 175.099 176.094 -0.040 0.000 1.115 238 V CA -1.176 61.106 62.300 -0.030 0.000 0.998 238 V CB 1.781 33.590 31.823 -0.022 0.000 1.042 238 V HN 0.804 nan 8.190 nan 0.000 0.433 239 D N 3.376 123.746 120.400 -0.050 0.000 2.342 239 D HA 0.282 4.922 4.640 -0.001 0.000 0.260 239 D C -0.355 175.918 176.300 -0.046 0.000 1.278 239 D CA 0.425 54.396 54.000 -0.048 0.000 0.910 239 D CB 1.300 42.067 40.800 -0.054 0.000 1.079 239 D HN 0.604 nan 8.370 nan 0.000 0.496 240 M N 3.791 123.382 119.600 -0.015 0.000 2.063 240 M HA 0.203 4.683 4.480 -0.001 0.000 0.348 240 M C -0.303 175.988 176.300 -0.015 0.000 1.180 240 M CA -0.221 55.090 55.300 0.017 0.000 1.059 240 M CB 0.578 33.251 32.600 0.122 0.000 1.544 240 M HN 0.204 nan 8.290 nan 0.000 0.447 241 M N 3.096 122.590 119.600 -0.177 0.000 2.248 241 M HA 0.159 4.639 4.480 -0.001 0.000 0.337 241 M C -0.442 175.739 176.300 -0.198 0.000 1.121 241 M CA 0.363 55.477 55.300 -0.309 0.000 1.155 241 M CB 0.311 32.409 32.600 -0.837 0.000 1.514 241 M HN 0.617 nan 8.290 nan 0.000 0.452 242 H N 0.746 119.720 119.070 -0.161 0.000 2.865 242 H HA 0.716 5.272 4.556 -0.000 0.000 0.362 242 H C -1.939 173.387 175.328 -0.004 0.000 1.114 242 H CA -0.673 55.236 56.048 -0.230 0.000 1.208 242 H CB 1.440 31.004 29.762 -0.331 0.000 1.727 242 H HN 0.749 nan 8.280 nan 0.000 0.534 243 A N 3.752 126.140 122.820 -0.721 0.000 2.371 243 A HA 0.493 4.813 4.320 -0.001 0.000 0.311 243 A C 0.860 177.907 177.584 -0.895 0.000 1.068 243 A CA -0.159 51.519 52.037 -0.599 0.000 0.744 243 A CB 0.763 19.613 19.000 -0.249 0.000 1.239 243 A HN 0.885 nan 8.150 nan 0.000 0.435 244 V N -0.233 119.331 119.914 -0.585 0.000 2.591 244 V HA 0.168 4.287 4.120 -0.001 0.000 0.249 244 V C 0.896 176.883 176.094 -0.178 0.000 1.053 244 V CA 1.964 64.055 62.300 -0.348 0.000 1.068 244 V CB 0.259 32.000 31.823 -0.137 0.000 0.689 244 V HN 1.162 nan 8.190 nan 0.000 0.462 245 S N -0.624 114.993 115.700 -0.139 0.000 2.486 245 S HA 0.385 4.855 4.470 -0.001 0.000 0.144 245 S C -0.967 173.602 174.600 -0.050 0.000 1.542 245 S CA -0.625 57.538 58.200 -0.063 0.000 1.262 245 S CB -0.105 63.063 63.200 -0.053 0.000 1.462 245 S HN 0.563 nan 8.310 nan 0.000 0.381 246 Y N 3.574 123.763 120.300 -0.186 0.000 2.299 246 Y HA 0.543 5.093 4.550 -0.001 0.000 0.326 246 Y C -2.352 173.463 175.900 -0.142 0.000 1.164 246 Y CA -1.795 56.179 58.100 -0.210 0.000 1.234 246 Y CB 1.167 39.474 38.460 -0.255 0.000 1.219 246 Y HN 0.332 nan 8.280 nan 0.000 0.497 247 P HA 0.198 nan 4.420 nan 0.000 0.287 247 P C -1.457 175.818 177.300 -0.042 0.000 1.307 247 P CA -0.053 62.947 63.100 -0.165 0.000 0.777 247 P CB 1.034 32.590 31.700 -0.240 0.000 0.883 248 L N 4.369 125.620 121.223 0.046 0.000 2.436 248 L HA 0.458 4.798 4.340 -0.001 0.000 0.268 248 L C -0.208 176.744 176.870 0.137 0.000 0.974 248 L CA -0.659 54.195 54.840 0.022 0.000 0.826 248 L CB 2.105 44.091 42.059 -0.122 0.000 1.291 248 L HN 0.175 nan 8.230 nan 0.000 0.406 249 R N 5.569 126.112 120.500 0.073 0.000 2.204 249 R HA 0.468 4.808 4.340 -0.001 0.000 0.341 249 R C -1.502 174.946 176.300 0.246 0.000 1.035 249 R CA -0.304 55.882 56.100 0.144 0.000 0.887 249 R CB 0.699 31.035 30.300 0.060 0.000 1.114 249 R HN 0.628 nan 8.270 nan 0.000 0.473 250 W N 4.181 125.453 121.300 -0.046 0.000 3.256 250 W HA 0.509 5.168 4.660 -0.001 0.000 0.324 250 W C -1.953 174.570 176.519 0.006 0.000 1.196 250 W CA -1.890 55.333 57.345 -0.202 0.000 1.206 250 W CB 0.237 29.363 29.460 -0.557 0.000 1.385 250 W HN 0.408 nan 8.180 nan 0.000 0.522 251 F N 1.200 121.080 119.950 -0.117 0.000 2.831 251 F HA 0.837 5.364 4.527 -0.001 0.000 0.318 251 F C -2.293 173.454 175.800 -0.088 0.000 1.174 251 F CA -1.666 56.218 58.000 -0.194 0.000 0.918 251 F CB 0.996 39.919 39.000 -0.128 0.000 1.364 251 F HN 0.299 nan 8.300 nan 0.000 0.475 252 L N 2.029 123.334 121.223 0.136 0.000 2.365 252 L HA 0.671 5.010 4.340 -0.001 0.000 0.273 252 L C -1.407 175.557 176.870 0.158 0.000 1.000 252 L CA -0.784 54.097 54.840 0.069 0.000 0.819 252 L CB 1.945 44.016 42.059 0.020 0.000 1.284 252 L HN 0.686 nan 8.230 nan 0.000 0.418 253 L N 4.991 126.280 121.223 0.109 0.000 2.270 253 L HA 0.350 4.690 4.340 -0.001 0.000 0.286 253 L C 1.277 178.185 176.870 0.063 0.000 1.059 253 L CA -0.361 54.540 54.840 0.101 0.000 0.839 253 L CB 0.840 42.953 42.059 0.091 0.000 1.221 253 L HN 0.762 nan 8.230 nan 0.000 0.431 254 E N 2.737 122.967 120.200 0.050 0.000 2.007 254 E HA -0.314 4.035 4.350 -0.001 0.000 0.203 254 E C 2.095 178.711 176.600 0.027 0.000 1.020 254 E CA 2.498 58.917 56.400 0.032 0.000 0.845 254 E CB 0.254 29.966 29.700 0.020 0.000 0.779 254 E HN 0.769 nan 8.360 nan 0.000 0.466 255 Q N 0.439 120.252 119.800 0.021 0.000 2.061 255 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 255 Q C -0.224 175.781 176.000 0.008 0.000 0.984 255 Q CA 2.357 58.166 55.803 0.009 0.000 0.846 255 Q CB -2.177 26.566 28.738 0.008 0.000 0.902 255 Q HN 0.401 nan 8.270 nan 0.000 0.421 256 P HA 0.109 nan 4.420 nan 0.000 0.233 256 P C -0.921 176.445 177.300 0.110 0.000 1.167 256 P CA 0.646 63.777 63.100 0.053 0.000 0.770 256 P CB 0.107 31.845 31.700 0.063 0.000 0.837 257 E N -0.828 119.424 120.200 0.087 0.000 2.257 257 E HA -0.162 4.188 4.350 -0.001 0.000 0.217 257 E C -0.536 176.152 176.600 0.147 0.000 1.248 257 E CA 0.133 56.609 56.400 0.127 0.000 0.691 257 E CB -2.143 27.646 29.700 0.148 0.000 1.185 257 E HN 0.391 nan 8.360 nan 0.000 0.377 258 I N 1.000 121.612 120.570 0.070 0.000 2.466 258 I HA 0.218 4.388 4.170 -0.001 0.000 0.289 258 I C 0.467 176.584 176.117 -0.000 0.000 1.026 258 I CA -0.792 60.510 61.300 0.004 0.000 1.078 258 I CB 1.655 39.630 38.000 -0.043 0.000 1.249 258 I HN 0.045 nan 8.210 nan 0.000 0.429 259 Q N 4.466 124.276 119.800 0.018 0.000 2.235 259 Q HA 0.639 4.979 4.340 -0.001 0.000 0.250 259 Q C -1.089 174.864 176.000 -0.078 0.000 0.909 259 Q CA -0.672 55.147 55.803 0.027 0.000 0.910 259 Q CB 2.838 31.722 28.738 0.243 0.000 1.223 259 Q HN 0.411 nan 8.270 nan 0.000 0.432 260 V N 0.977 120.690 119.914 -0.336 0.000 2.638 260 V HA 0.784 4.903 4.120 -0.001 0.000 0.306 260 V C -0.890 174.878 176.094 -0.544 0.000 1.052 260 V CA -0.744 61.266 62.300 -0.483 0.000 0.885 260 V CB 1.709 33.072 31.823 -0.767 0.000 0.999 260 V HN 0.850 nan 8.190 nan 0.000 0.424 261 A N 2.926 125.545 122.820 -0.335 0.000 2.414 261 A HA 0.864 5.184 4.320 -0.001 0.000 0.306 261 A C -1.366 176.092 177.584 -0.210 0.000 1.054 261 A CA -0.557 51.260 52.037 -0.366 0.000 0.724 261 A CB 1.220 19.750 19.000 -0.784 0.000 1.267 261 A HN 0.936 nan 8.150 nan 0.000 0.418 262 H N 0.305 119.213 119.070 -0.270 0.000 2.511 262 H HA 0.548 5.103 4.556 -0.001 0.000 0.328 262 H C -1.537 173.661 175.328 -0.217 0.000 1.044 262 H CA -0.088 55.917 56.048 -0.070 0.000 1.212 262 H CB 0.929 30.729 29.762 0.063 0.000 1.428 262 H HN 0.475 nan 8.280 nan 0.000 0.483 263 F N 5.084 125.185 119.950 0.251 0.000 2.311 263 F HA 0.316 4.842 4.527 -0.001 0.000 0.371 263 F C -2.197 173.774 175.800 0.284 0.000 1.083 263 F CA -2.530 55.599 58.000 0.216 0.000 1.113 263 F CB 1.169 40.198 39.000 0.048 0.000 1.349 263 F HN 0.390 nan 8.300 nan 0.000 0.470 264 P HA 0.085 nan 4.420 nan 0.000 0.271 264 P C -0.497 177.048 177.300 0.408 0.000 1.220 264 P CA 0.201 63.517 63.100 0.361 0.000 0.768 264 P CB 0.478 32.347 31.700 0.281 0.000 0.848 265 F N 1.702 121.965 119.950 0.522 0.000 2.375 265 F HA 0.295 4.822 4.527 -0.000 0.000 0.317 265 F C 2.002 177.973 175.800 0.285 0.000 1.124 265 F CA -0.534 57.691 58.000 0.376 0.000 1.050 265 F CB 0.637 39.810 39.000 0.289 0.000 1.314 265 F HN 0.177 nan 8.300 nan 0.000 0.511 266 K N 0.782 121.458 120.400 0.459 0.000 2.002 266 K HA -0.116 4.204 4.320 -0.001 0.000 0.209 266 K C 0.512 177.240 176.600 0.213 0.000 1.048 266 K CA 1.582 58.029 56.287 0.267 0.000 0.930 266 K CB -0.349 32.253 32.500 0.170 0.000 0.714 266 K HN 0.358 nan 8.250 nan 0.000 0.438 267 N N 2.021 120.845 118.700 0.206 0.000 3.250 267 N HA 0.108 4.847 4.740 -0.001 0.000 0.307 267 N C -1.135 174.489 175.510 0.191 0.000 1.355 267 N CA 0.081 53.215 53.050 0.141 0.000 1.192 267 N CB -0.381 38.144 38.487 0.063 0.000 1.478 267 N HN 0.201 nan 8.380 nan 0.000 0.543 268 N N -0.040 118.799 118.700 0.230 0.000 2.740 268 N HA -0.222 4.518 4.740 -0.001 0.000 0.248 268 N C -0.727 174.994 175.510 0.351 0.000 1.062 268 N CA 0.908 54.119 53.050 0.267 0.000 0.704 268 N CB -0.859 37.758 38.487 0.216 0.000 0.968 268 N HN 0.489 nan 8.380 nan 0.000 0.547 269 M N -0.420 119.445 119.600 0.442 0.000 2.644 269 M HA 0.432 4.912 4.480 -0.001 0.000 0.304 269 M C -0.344 176.365 176.300 0.682 0.000 1.215 269 M CA -0.423 55.220 55.300 0.572 0.000 0.871 269 M CB 2.523 35.492 32.600 0.614 0.000 1.740 269 M HN -0.107 nan 8.290 nan 0.000 0.464 270 S N 0.664 116.774 115.700 0.683 0.000 2.540 270 S HA 0.578 5.048 4.470 -0.001 0.000 0.275 270 S C -1.750 173.204 174.600 0.590 0.000 1.123 270 S CA -0.636 57.895 58.200 0.552 0.000 0.907 270 S CB 1.551 65.046 63.200 0.492 0.000 1.081 270 S HN 0.515 nan 8.310 nan 0.000 0.476 271 F N 3.699 123.823 119.950 0.291 0.000 2.371 271 F HA 0.586 5.112 4.527 -0.001 0.000 0.363 271 F C -0.658 175.360 175.800 0.365 0.000 1.122 271 F CA -0.536 57.698 58.000 0.390 0.000 1.129 271 F CB 0.516 39.753 39.000 0.396 0.000 1.173 271 F HN 0.255 nan 8.300 nan 0.000 0.489 272 V N 7.478 127.311 119.914 -0.134 0.000 2.328 272 V HA 0.296 4.416 4.120 -0.001 0.000 0.278 272 V C -0.302 175.664 176.094 -0.214 0.000 1.021 272 V CA -0.864 61.299 62.300 -0.228 0.000 0.838 272 V CB 1.147 32.810 31.823 -0.266 0.000 0.999 272 V HN 0.510 nan 8.190 nan 0.000 0.447 273 V N 6.071 125.934 119.914 -0.085 0.000 2.461 273 V HA 0.335 4.454 4.120 -0.001 0.000 0.275 273 V C 0.044 176.194 176.094 0.093 0.000 1.047 273 V CA -0.238 62.097 62.300 0.060 0.000 0.955 273 V CB 1.741 33.686 31.823 0.203 0.000 0.988 273 V HN 0.621 nan 8.190 nan 0.000 0.471 274 V N 6.753 126.779 119.914 0.187 0.000 2.340 274 V HA 0.425 4.545 4.120 -0.001 0.000 0.277 274 V C -0.204 175.934 176.094 0.073 0.000 1.017 274 V CA -0.250 62.103 62.300 0.088 0.000 0.820 274 V CB 1.241 33.115 31.823 0.086 0.000 1.028 274 V HN 0.896 nan 8.190 nan 0.000 0.436 275 M N 7.540 127.167 119.600 0.045 0.000 2.018 275 M HA 0.528 5.007 4.480 -0.001 0.000 0.311 275 M C -2.845 173.383 176.300 -0.120 0.000 0.928 275 M CA -1.809 53.511 55.300 0.034 0.000 0.911 275 M CB 2.308 34.986 32.600 0.131 0.000 1.447 275 M HN 0.292 nan 8.290 nan 0.000 0.407 276 P HA 0.151 nan 4.420 nan 0.000 0.271 276 P C 0.109 177.250 177.300 -0.266 0.000 1.218 276 P CA -0.054 62.775 63.100 -0.452 0.000 0.780 276 P CB 0.579 31.580 31.700 -1.165 0.000 0.901 277 T N -1.346 113.168 114.554 -0.066 0.000 3.235 277 T HA 0.186 4.536 4.350 -0.001 0.000 0.251 277 T C 0.124 174.826 174.700 0.003 0.000 1.060 277 T CA -0.028 62.057 62.100 -0.024 0.000 0.949 277 T CB -1.218 67.684 68.868 0.056 0.000 1.020 277 T HN 0.460 nan 8.240 nan 0.000 0.564 278 Y N -3.024 117.218 120.300 -0.097 0.000 2.581 278 Y HA 0.708 5.257 4.550 -0.000 0.000 0.345 278 Y C 0.010 175.938 175.900 0.047 0.000 1.036 278 Y CA -2.203 55.864 58.100 -0.054 0.000 1.042 278 Y CB 0.696 39.196 38.460 0.067 0.000 1.289 278 Y HN -0.151 nan 8.280 nan 0.000 0.471 279 F N -0.120 119.974 119.950 0.240 0.000 2.219 279 F HA 0.044 4.570 4.527 -0.001 0.000 0.294 279 F C 1.144 176.943 175.800 -0.000 0.000 1.086 279 F CA 0.718 58.784 58.000 0.110 0.000 1.330 279 F CB 0.267 39.306 39.000 0.064 0.000 1.047 279 F HN 0.436 nan 8.300 nan 0.000 0.495 280 E N 2.759 123.170 120.200 0.351 0.000 1.814 280 E HA 0.040 4.389 4.350 -0.001 0.000 0.264 280 E C -0.642 176.158 176.600 0.334 0.000 1.179 280 E CA -0.315 56.214 56.400 0.215 0.000 0.972 280 E CB -0.973 28.857 29.700 0.215 0.000 1.077 280 E HN 0.298 nan 8.360 nan 0.000 0.417 281 W N 0.824 122.185 121.300 0.102 0.000 3.029 281 W HA 0.626 5.286 4.660 -0.001 0.000 0.339 281 W C -0.670 175.868 176.519 0.031 0.000 1.198 281 W CA -1.302 56.092 57.345 0.083 0.000 1.148 281 W CB 0.694 30.117 29.460 -0.062 0.000 1.451 281 W HN 0.384 nan 8.180 nan 0.000 0.564 282 N N -1.276 117.654 118.700 0.383 0.000 2.380 282 N HA 0.417 5.157 4.740 -0.001 0.000 0.290 282 N C -0.008 175.698 175.510 0.327 0.000 1.236 282 N CA -0.918 52.264 53.050 0.220 0.000 0.780 282 N CB 2.047 40.574 38.487 0.066 0.000 1.438 282 N HN 0.093 nan 8.380 nan 0.000 0.491 283 V N 0.342 120.340 119.914 0.141 0.000 2.332 283 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 283 V C 2.003 178.034 176.094 -0.105 0.000 1.055 283 V CA 2.284 64.557 62.300 -0.045 0.000 1.038 283 V CB -0.878 30.675 31.823 -0.449 0.000 0.651 283 V HN 0.798 nan 8.190 nan 0.000 0.450 284 S N -0.052 115.601 115.700 -0.078 0.000 2.368 284 S HA -0.219 4.251 4.470 -0.001 0.000 0.224 284 S C 1.941 176.543 174.600 0.004 0.000 1.029 284 S CA 1.713 59.880 58.200 -0.055 0.000 0.988 284 S CB -0.317 62.860 63.200 -0.039 0.000 0.838 284 S HN 0.917 nan 8.310 nan 0.000 0.462 285 E N 0.959 121.192 120.200 0.055 0.000 2.150 285 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 285 E C 1.833 178.473 176.600 0.066 0.000 0.985 285 E CA 1.092 57.538 56.400 0.078 0.000 0.814 285 E CB -0.342 29.435 29.700 0.127 0.000 0.752 285 E HN 0.306 nan 8.360 nan 0.000 0.466 286 V N 1.884 121.828 119.914 0.050 0.000 2.270 286 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 286 V C 2.566 178.651 176.094 -0.014 0.000 1.043 286 V CA 1.498 63.779 62.300 -0.031 0.000 1.014 286 V CB -0.523 31.188 31.823 -0.187 0.000 0.645 286 V HN 0.282 nan 8.190 nan 0.000 0.447 287 L N 0.421 121.642 121.223 -0.003 0.000 2.051 287 L HA -0.259 4.080 4.340 -0.001 0.000 0.214 287 L C 2.682 179.555 176.870 0.005 0.000 1.076 287 L CA 1.808 56.661 54.840 0.021 0.000 0.758 287 L CB -0.877 41.190 42.059 0.013 0.000 0.890 287 L HN 0.399 nan 8.230 nan 0.000 0.433 288 A N -0.350 122.475 122.820 0.008 0.000 2.076 288 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 288 A C 1.894 179.487 177.584 0.015 0.000 1.160 288 A CA 1.676 53.721 52.037 0.014 0.000 0.653 288 A CB -0.476 18.538 19.000 0.023 0.000 0.801 288 A HN 0.519 nan 8.150 nan 0.000 0.455 289 N N -0.612 118.096 118.700 0.014 0.000 2.336 289 N HA 0.171 4.910 4.740 -0.001 0.000 0.189 289 N C -0.057 175.460 175.510 0.011 0.000 1.113 289 N CA 0.127 53.188 53.050 0.018 0.000 0.858 289 N CB 0.249 38.751 38.487 0.025 0.000 0.970 289 N HN 0.410 nan 8.380 nan 0.000 0.471 290 L N 1.128 122.344 121.223 -0.011 0.000 2.357 290 L HA 0.259 4.599 4.340 -0.001 0.000 0.273 290 L C 0.943 177.785 176.870 -0.046 0.000 1.080 290 L CA -0.265 54.551 54.840 -0.039 0.000 0.803 290 L CB 1.386 43.383 42.059 -0.104 0.000 1.174 290 L HN 0.032 nan 8.230 nan 0.000 0.443 291 T N -3.124 111.417 114.554 -0.021 0.000 2.905 291 T HA 0.255 4.605 4.350 -0.001 0.000 0.283 291 T C 0.519 175.216 174.700 -0.005 0.000 1.031 291 T CA -0.611 61.500 62.100 0.019 0.000 1.002 291 T CB 1.065 69.986 68.868 0.088 0.000 1.200 291 T HN 0.562 nan 8.240 nan 0.000 0.560 292 W N 0.991 122.303 121.300 0.020 0.000 2.381 292 W HA -0.002 4.657 4.660 -0.001 0.000 0.301 292 W C 2.042 178.622 176.519 0.101 0.000 1.205 292 W CA 1.406 58.776 57.345 0.042 0.000 1.285 292 W CB 0.044 29.533 29.460 0.049 0.000 1.133 292 W HN 0.875 nan 8.180 nan 0.000 0.521 293 D N -1.771 118.822 120.400 0.321 0.000 2.349 293 D HA -0.054 4.586 4.640 -0.001 0.000 0.224 293 D C 1.525 177.929 176.300 0.174 0.000 1.029 293 D CA 1.013 55.139 54.000 0.211 0.000 0.879 293 D CB -1.037 39.821 40.800 0.096 0.000 0.906 293 D HN 0.040 nan 8.370 nan 0.000 0.528 294 T N 0.616 115.292 114.554 0.204 0.000 2.812 294 T HA -0.031 4.319 4.350 -0.001 0.000 0.264 294 T C 1.550 176.473 174.700 0.371 0.000 1.042 294 T CA 0.558 62.851 62.100 0.321 0.000 1.140 294 T CB 0.108 69.079 68.868 0.170 0.000 0.870 294 T HN 0.072 nan 8.240 nan 0.000 0.445 295 L N -1.223 120.113 121.223 0.189 0.000 2.408 295 L HA 0.350 4.689 4.340 -0.001 0.000 0.215 295 L C -0.085 177.065 176.870 0.467 0.000 1.081 295 L CA 0.478 55.416 54.840 0.163 0.000 0.840 295 L CB -0.258 41.645 42.059 -0.260 0.000 1.002 295 L HN 0.290 nan 8.230 nan 0.000 0.468 296 Y N -0.308 120.162 120.300 0.283 0.000 2.329 296 Y HA 0.349 4.899 4.550 -0.001 0.000 0.328 296 Y C -0.139 175.888 175.900 0.212 0.000 0.992 296 Y CA -1.509 56.744 58.100 0.254 0.000 1.151 296 Y CB 0.114 38.769 38.460 0.324 0.000 1.150 296 Y HN 0.306 nan 8.280 nan 0.000 0.450 297 H N 5.237 124.129 119.070 -0.297 0.000 2.591 297 H HA -0.126 4.430 4.556 -0.001 0.000 0.325 297 H C -2.303 172.881 175.328 -0.240 0.000 1.096 297 H CA -0.109 55.725 56.048 -0.356 0.000 1.108 297 H CB -0.676 28.752 29.762 -0.557 0.000 1.590 297 H HN 0.449 nan 8.280 nan 0.000 0.399 298 P HA -0.034 nan 4.420 nan 0.000 0.267 298 P C 0.836 178.010 177.300 -0.211 0.000 1.209 298 P CA 0.362 63.317 63.100 -0.242 0.000 0.763 298 P CB 1.244 32.741 31.700 -0.338 0.000 0.816 299 S N 3.131 118.714 115.700 -0.196 0.000 2.447 299 S HA -0.094 4.376 4.470 -0.001 0.000 0.233 299 S C 1.050 175.559 174.600 -0.152 0.000 1.006 299 S CA -0.103 58.002 58.200 -0.157 0.000 0.957 299 S CB -0.702 62.419 63.200 -0.131 0.000 0.773 299 S HN 0.366 nan 8.310 nan 0.000 0.507 300 L N 3.077 124.189 121.223 -0.185 0.000 2.678 300 L HA -0.000 4.339 4.340 -0.001 0.000 0.285 300 L C 0.386 177.198 176.870 -0.097 0.000 1.233 300 L CA 0.651 55.403 54.840 -0.147 0.000 0.920 300 L CB -0.398 41.561 42.059 -0.168 0.000 1.176 300 L HN 0.369 nan 8.230 nan 0.000 0.495 301 Q N 3.661 123.415 119.800 -0.077 0.000 2.361 301 Q HA 0.047 4.386 4.340 -0.001 0.000 0.276 301 Q C -0.059 175.924 176.000 -0.028 0.000 1.022 301 Q CA 0.037 55.807 55.803 -0.054 0.000 0.898 301 Q CB 0.494 29.204 28.738 -0.048 0.000 1.246 301 Q HN 0.608 nan 8.270 nan 0.000 0.410 302 E N 1.436 121.623 120.200 -0.021 0.000 2.418 302 E HA 0.072 4.422 4.350 -0.001 0.000 0.261 302 E C -0.233 176.380 176.600 0.021 0.000 1.070 302 E CA 0.404 56.807 56.400 0.006 0.000 0.931 302 E CB 0.639 30.326 29.700 -0.021 0.000 0.954 302 E HN 0.284 nan 8.360 nan 0.000 0.439 303 R N 2.419 122.959 120.500 0.067 0.000 2.548 303 R HA 0.287 4.627 4.340 -0.001 0.000 0.280 303 R C -2.848 173.520 176.300 0.112 0.000 1.061 303 R CA -1.995 54.155 56.100 0.083 0.000 0.915 303 R CB 1.411 31.772 30.300 0.101 0.000 1.210 303 R HN 0.209 nan 8.270 nan 0.000 0.442 304 P HA 0.067 nan 4.420 nan 0.000 0.260 304 P C -1.240 176.136 177.300 0.127 0.000 1.185 304 P CA 0.343 63.481 63.100 0.064 0.000 0.763 304 P CB 0.927 32.648 31.700 0.035 0.000 0.776 305 T N 3.537 118.158 114.554 0.111 0.000 2.971 305 T HA 0.247 4.597 4.350 -0.001 0.000 0.304 305 T C -0.390 174.328 174.700 0.029 0.000 1.038 305 T CA -0.909 61.265 62.100 0.122 0.000 1.007 305 T CB 1.342 70.240 68.868 0.050 0.000 1.055 305 T HN 0.157 nan 8.240 nan 0.000 0.451 306 K N 2.224 122.649 120.400 0.043 0.000 2.416 306 K HA 0.440 4.760 4.320 -0.001 0.000 0.283 306 K C -0.697 175.843 176.600 -0.102 0.000 1.037 306 K CA -0.164 56.079 56.287 -0.072 0.000 0.995 306 K CB 0.478 33.020 32.500 0.071 0.000 0.938 306 K HN 0.280 nan 8.250 nan 0.000 0.475 307 V N 4.508 124.240 119.914 -0.303 0.000 2.656 307 V HA 0.392 4.511 4.120 -0.001 0.000 0.307 307 V C -0.796 175.166 176.094 -0.220 0.000 1.051 307 V CA -0.977 61.246 62.300 -0.129 0.000 0.893 307 V CB 1.666 33.442 31.823 -0.078 0.000 0.999 307 V HN 0.751 nan 8.190 nan 0.000 0.426 308 W N 5.469 126.772 121.300 0.006 0.000 2.619 308 W HA 0.676 5.335 4.660 -0.000 0.000 0.327 308 W C -1.265 175.110 176.519 -0.239 0.000 1.027 308 W CA -0.701 56.607 57.345 -0.062 0.000 1.233 308 W CB 2.172 31.592 29.460 -0.067 0.000 1.370 308 W HN 0.389 nan 8.180 nan 0.000 0.453 309 L N 7.052 128.164 121.223 -0.186 0.000 2.439 309 L HA 0.558 4.898 4.340 -0.001 0.000 0.270 309 L C -2.377 174.301 176.870 -0.321 0.000 0.972 309 L CA -2.139 52.481 54.840 -0.366 0.000 0.836 309 L CB 2.037 43.665 42.059 -0.718 0.000 1.255 309 L HN 0.015 nan 8.230 nan 0.000 0.404 310 P HA 0.088 nan 4.420 nan 0.000 0.268 310 P C -0.973 176.223 177.300 -0.173 0.000 1.205 310 P CA -0.125 62.916 63.100 -0.099 0.000 0.771 310 P CB 0.544 32.253 31.700 0.015 0.000 0.858 311 K N 2.268 122.573 120.400 -0.159 0.000 2.414 311 K HA 0.290 4.609 4.320 -0.001 0.000 0.272 311 K C -0.003 176.519 176.600 -0.131 0.000 0.993 311 K CA 0.003 56.199 56.287 -0.152 0.000 0.964 311 K CB 0.121 32.552 32.500 -0.115 0.000 0.925 311 K HN 0.458 nan 8.250 nan 0.000 0.487 312 L N 2.037 123.167 121.223 -0.156 0.000 2.431 312 L HA 0.288 4.628 4.340 -0.001 0.000 0.266 312 L C -0.673 176.121 176.870 -0.127 0.000 0.978 312 L CA -0.816 53.942 54.840 -0.137 0.000 0.822 312 L CB 1.859 43.813 42.059 -0.175 0.000 1.310 312 L HN 0.624 nan 8.230 nan 0.000 0.409 313 H N 4.683 123.660 119.070 -0.154 0.000 3.036 313 H HA 0.493 5.049 4.556 -0.001 0.000 0.295 313 H C -1.681 173.588 175.328 -0.098 0.000 1.124 313 H CA -0.321 55.642 56.048 -0.141 0.000 1.507 313 H CB 0.905 30.595 29.762 -0.121 0.000 1.591 313 H HN 0.415 nan 8.280 nan 0.000 0.510 314 L N 3.680 124.929 121.223 0.044 0.000 2.329 314 L HA 0.488 4.828 4.340 -0.001 0.000 0.279 314 L C -0.142 176.787 176.870 0.099 0.000 1.014 314 L CA -0.637 54.248 54.840 0.075 0.000 0.814 314 L CB 2.235 44.327 42.059 0.055 0.000 1.257 314 L HN 0.465 nan 8.230 nan 0.000 0.424 315 Q N 2.961 122.826 119.800 0.108 0.000 2.280 315 Q HA 0.358 4.698 4.340 -0.001 0.000 0.259 315 Q C -1.763 174.277 176.000 0.066 0.000 0.964 315 Q CA -0.546 55.318 55.803 0.102 0.000 0.844 315 Q CB 2.220 31.038 28.738 0.133 0.000 1.334 315 Q HN 0.590 nan 8.270 nan 0.000 0.423 316 Q N 2.607 122.441 119.800 0.057 0.000 2.321 316 Q HA 0.324 4.663 4.340 -0.001 0.000 0.270 316 Q C -1.682 174.320 176.000 0.004 0.000 1.032 316 Q CA -0.539 55.283 55.803 0.033 0.000 0.784 316 Q CB 2.707 31.472 28.738 0.046 0.000 1.264 316 Q HN 0.682 nan 8.270 nan 0.000 0.448 317 Q N 2.823 122.618 119.800 -0.008 0.000 2.309 317 Q HA 0.706 5.046 4.340 -0.001 0.000 0.264 317 Q C -1.903 174.086 176.000 -0.019 0.000 1.008 317 Q CA -0.684 55.099 55.803 -0.033 0.000 0.853 317 Q CB 1.373 30.063 28.738 -0.081 0.000 1.314 317 Q HN 0.464 nan 8.270 nan 0.000 0.448 318 L N 2.884 124.109 121.223 0.004 0.000 2.565 318 L HA 0.412 4.751 4.340 -0.001 0.000 0.261 318 L C -1.994 174.901 176.870 0.042 0.000 0.932 318 L CA -0.413 54.447 54.840 0.033 0.000 0.878 318 L CB 2.263 44.376 42.059 0.089 0.000 1.333 318 L HN 0.789 nan 8.230 nan 0.000 0.409 319 D N 4.274 124.675 120.400 0.003 0.000 2.316 319 D HA 0.279 4.919 4.640 -0.001 0.000 0.245 319 D C 0.589 176.885 176.300 -0.007 0.000 1.171 319 D CA 0.002 53.998 54.000 -0.006 0.000 0.856 319 D CB 1.147 41.919 40.800 -0.046 0.000 1.090 319 D HN 0.685 nan 8.370 nan 0.000 0.476 320 L N 3.629 124.865 121.223 0.021 0.000 2.611 320 L HA 0.032 4.372 4.340 -0.001 0.000 0.229 320 L C 2.158 178.988 176.870 -0.067 0.000 1.137 320 L CA -0.235 54.616 54.840 0.019 0.000 0.901 320 L CB 0.360 42.469 42.059 0.084 0.000 1.098 320 L HN 0.288 nan 8.230 nan 0.000 0.456 321 V N 0.750 120.531 119.914 -0.221 0.000 2.231 321 V HA -0.380 3.740 4.120 -0.001 0.000 0.248 321 V C 2.788 178.565 176.094 -0.528 0.000 1.054 321 V CA 2.270 64.157 62.300 -0.689 0.000 1.015 321 V CB -0.762 30.621 31.823 -0.733 0.000 0.638 321 V HN 0.577 nan 8.190 nan 0.000 0.444 322 A N -0.590 122.064 122.820 -0.277 0.000 1.883 322 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 322 A C 2.391 179.930 177.584 -0.074 0.000 1.186 322 A CA 2.698 54.642 52.037 -0.156 0.000 0.624 322 A CB -1.090 17.850 19.000 -0.100 0.000 0.822 322 A HN 0.527 nan 8.150 nan 0.000 0.444 323 T N 0.457 114.985 114.554 -0.043 0.000 2.708 323 T HA -0.078 4.272 4.350 -0.001 0.000 0.266 323 T C 1.808 176.545 174.700 0.062 0.000 1.037 323 T CA 1.539 63.646 62.100 0.011 0.000 1.146 323 T CB -0.391 68.488 68.868 0.017 0.000 0.865 323 T HN 0.362 nan 8.240 nan 0.000 0.435 324 L N 0.771 122.053 121.223 0.097 0.000 2.141 324 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 324 L C 2.845 179.864 176.870 0.248 0.000 1.094 324 L CA 0.749 55.717 54.840 0.213 0.000 0.763 324 L CB -0.556 41.704 42.059 0.335 0.000 0.908 324 L HN 0.216 nan 8.230 nan 0.000 0.437 325 S N -0.347 115.473 115.700 0.200 0.000 2.368 325 S HA -0.285 4.185 4.470 -0.001 0.000 0.225 325 S C 1.929 176.604 174.600 0.126 0.000 1.030 325 S CA 1.635 59.958 58.200 0.204 0.000 0.999 325 S CB -0.207 63.043 63.200 0.083 0.000 0.844 325 S HN 0.421 nan 8.310 nan 0.000 0.459 326 Q N 0.896 120.744 119.800 0.081 0.000 2.167 326 Q HA 0.086 4.426 4.340 -0.001 0.000 0.202 326 Q C 1.727 177.776 176.000 0.080 0.000 0.970 326 Q CA 1.162 57.004 55.803 0.065 0.000 0.855 326 Q CB -0.286 28.477 28.738 0.041 0.000 0.911 326 Q HN 0.485 nan 8.270 nan 0.000 0.438 327 L N -1.402 119.885 121.223 0.106 0.000 2.478 327 L HA 0.160 4.500 4.340 -0.001 0.000 0.223 327 L C 1.084 178.021 176.870 0.111 0.000 1.140 327 L CA 0.719 55.633 54.840 0.122 0.000 0.842 327 L CB 0.080 42.242 42.059 0.171 0.000 0.953 327 L HN 0.596 nan 8.230 nan 0.000 0.452 328 G N -0.752 108.113 108.800 0.108 0.000 2.234 328 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.153 328 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.153 328 G C 0.344 175.298 174.900 0.089 0.000 1.013 328 G CA -0.501 44.651 45.100 0.087 0.000 0.712 328 G HN 0.166 nan 8.290 nan 0.000 0.491 329 L N 2.036 123.336 121.223 0.128 0.000 2.928 329 L HA 0.186 4.525 4.340 -0.001 0.000 0.246 329 L C 2.557 179.509 176.870 0.137 0.000 1.239 329 L CA 0.250 55.147 54.840 0.096 0.000 1.035 329 L CB 0.391 42.502 42.059 0.087 0.000 1.360 329 L HN 0.382 nan 8.230 nan 0.000 0.529 330 Q N -0.504 119.413 119.800 0.195 0.000 2.181 330 Q HA -0.228 4.112 4.340 -0.001 0.000 0.205 330 Q C 1.383 177.483 176.000 0.166 0.000 0.980 330 Q CA 1.708 57.682 55.803 0.286 0.000 0.862 330 Q CB -0.501 28.344 28.738 0.179 0.000 0.905 330 Q HN 0.383 nan 8.270 nan 0.000 0.429 331 E N 0.940 121.155 120.200 0.024 0.000 2.268 331 E HA 0.008 4.358 4.350 -0.001 0.000 0.195 331 E C 2.204 178.716 176.600 -0.147 0.000 0.995 331 E CA 0.677 57.057 56.400 -0.033 0.000 0.836 331 E CB -0.425 29.257 29.700 -0.030 0.000 0.763 331 E HN 0.547 nan 8.360 nan 0.000 0.491 332 L N -0.949 120.057 121.223 -0.362 0.000 2.187 332 L HA -0.104 4.235 4.340 -0.001 0.000 0.213 332 L C 1.576 178.073 176.870 -0.622 0.000 1.100 332 L CA 1.301 55.762 54.840 -0.632 0.000 0.765 332 L CB -0.258 41.137 42.059 -1.107 0.000 0.904 332 L HN 0.362 nan 8.230 nan 0.000 0.437 333 F N -1.223 118.726 119.950 -0.002 0.000 2.653 333 F HA 0.070 4.596 4.527 -0.001 0.000 0.304 333 F C 2.018 177.816 175.800 -0.003 0.000 1.092 333 F CA -0.199 57.798 58.000 -0.004 0.000 1.279 333 F CB -0.053 38.948 39.000 0.002 0.000 1.044 333 F HN 0.132 nan 8.300 nan 0.000 0.564 334 Q N -0.581 119.273 119.800 0.090 0.000 2.527 334 Q HA 0.415 4.755 4.340 -0.001 0.000 0.252 334 Q C 0.812 176.825 176.000 0.022 0.000 0.827 334 Q CA 0.707 56.547 55.803 0.063 0.000 0.979 334 Q CB 1.170 29.948 28.738 0.068 0.000 1.248 334 Q HN 0.129 nan 8.270 nan 0.000 0.578 335 G N 3.109 111.904 108.800 -0.008 0.000 4.377 335 G HA2 0.299 4.258 3.960 -0.001 0.000 0.251 335 G HA3 0.299 4.258 3.960 -0.001 0.000 0.251 335 G C -2.905 171.972 174.900 -0.038 0.000 2.912 335 G CA -0.538 44.552 45.100 -0.016 0.000 0.606 335 G HN 0.045 nan 8.290 nan 0.000 0.282 336 P HA 0.331 nan 4.420 nan 0.000 0.274 336 P C -1.133 176.132 177.300 -0.058 0.000 1.256 336 P CA -0.233 62.819 63.100 -0.081 0.000 0.795 336 P CB 1.628 33.249 31.700 -0.130 0.000 1.038 337 D N 1.055 121.425 120.400 -0.051 0.000 2.467 337 D HA 0.223 4.863 4.640 -0.001 0.000 0.220 337 D C -0.251 176.017 176.300 -0.054 0.000 1.103 337 D CA -0.211 53.765 54.000 -0.039 0.000 0.886 337 D CB -0.478 40.309 40.800 -0.022 0.000 1.025 337 D HN 0.209 nan 8.370 nan 0.000 0.514 338 L N 3.996 125.174 121.223 -0.074 0.000 3.168 338 L HA 0.339 4.679 4.340 -0.001 0.000 0.277 338 L C 1.869 178.665 176.870 -0.124 0.000 1.308 338 L CA -0.326 54.446 54.840 -0.113 0.000 0.976 338 L CB 0.385 42.352 42.059 -0.153 0.000 1.383 338 L HN 0.097 nan 8.230 nan 0.000 0.572 339 R N 0.407 120.862 120.500 -0.074 0.000 2.293 339 R HA -0.074 4.265 4.340 -0.001 0.000 0.219 339 R C 2.174 178.431 176.300 -0.071 0.000 1.091 339 R CA 1.087 57.153 56.100 -0.056 0.000 1.004 339 R CB -0.072 30.214 30.300 -0.024 0.000 0.865 339 R HN 0.535 nan 8.270 nan 0.000 0.469 340 G N 0.680 109.423 108.800 -0.096 0.000 2.443 340 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.219 340 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.219 340 G C 1.321 176.069 174.900 -0.254 0.000 1.131 340 G CA 0.459 45.504 45.100 -0.092 0.000 0.775 340 G HN 0.200 nan 8.290 nan 0.000 0.547 341 I N -0.890 119.399 120.570 -0.468 0.000 2.512 341 I HA 0.169 4.339 4.170 -0.001 0.000 0.247 341 I C 1.011 176.976 176.117 -0.253 0.000 1.094 341 I CA 0.434 61.298 61.300 -0.725 0.000 1.427 341 I CB 0.236 37.728 38.000 -0.846 0.000 1.149 341 I HN 0.125 nan 8.210 nan 0.000 0.438 342 S N -0.489 115.125 115.700 -0.143 0.000 2.541 342 S HA 0.228 4.697 4.470 -0.001 0.000 0.271 342 S C 0.203 174.804 174.600 0.002 0.000 1.133 342 S CA -0.524 57.667 58.200 -0.015 0.000 0.876 342 S CB 1.764 65.009 63.200 0.075 0.000 1.105 342 S HN 0.120 nan 8.310 nan 0.000 0.470 343 E N 2.122 122.336 120.200 0.022 0.000 2.268 343 E HA 0.168 4.517 4.350 -0.001 0.000 0.195 343 E C 0.434 177.051 176.600 0.027 0.000 0.995 343 E CA 1.776 58.185 56.400 0.016 0.000 0.836 343 E CB 0.082 29.790 29.700 0.013 0.000 0.763 343 E HN 0.807 nan 8.360 nan 0.000 0.491 344 Q N -0.299 119.537 119.800 0.059 0.000 2.507 344 Q HA 0.584 4.924 4.340 -0.001 0.000 0.248 344 Q C -1.605 174.508 176.000 0.188 0.000 0.941 344 Q CA -0.434 55.417 55.803 0.081 0.000 1.003 344 Q CB 0.358 29.118 28.738 0.037 0.000 1.517 344 Q HN 0.085 nan 8.270 nan 0.000 0.443 345 N N 1.318 120.222 118.700 0.340 0.000 3.049 345 N HA 0.452 5.192 4.740 -0.001 0.000 0.241 345 N C -1.439 174.173 175.510 0.170 0.000 1.323 345 N CA -0.147 53.012 53.050 0.183 0.000 0.824 345 N CB 0.836 39.402 38.487 0.132 0.000 1.557 345 N HN 0.722 nan 8.380 nan 0.000 0.612 346 L N 0.820 122.050 121.223 0.011 0.000 2.399 346 L HA 0.769 5.108 4.340 -0.001 0.000 0.265 346 L C 0.053 176.855 176.870 -0.115 0.000 1.089 346 L CA -1.024 53.724 54.840 -0.154 0.000 0.802 346 L CB 1.503 43.429 42.059 -0.221 0.000 1.180 346 L HN 0.176 nan 8.230 nan 0.000 0.454 347 V N 1.507 121.332 119.914 -0.148 0.000 2.888 347 V HA 0.406 4.526 4.120 -0.001 0.000 0.309 347 V C -0.723 175.318 176.094 -0.088 0.000 1.114 347 V CA -0.640 61.606 62.300 -0.091 0.000 0.940 347 V CB 2.640 34.447 31.823 -0.026 0.000 1.021 347 V HN 0.363 nan 8.190 nan 0.000 0.426 348 V N 6.126 125.997 119.914 -0.073 0.000 2.427 348 V HA 0.269 4.389 4.120 -0.001 0.000 0.268 348 V C 1.145 177.352 176.094 0.187 0.000 1.046 348 V CA 0.537 62.842 62.300 0.007 0.000 0.970 348 V CB 0.788 32.555 31.823 -0.093 0.000 1.001 348 V HN 1.028 nan 8.190 nan 0.000 0.476 349 S N 2.726 118.496 115.700 0.117 0.000 2.421 349 S HA 0.072 4.541 4.470 -0.001 0.000 0.224 349 S C 0.773 175.439 174.600 0.110 0.000 1.035 349 S CA 0.557 58.819 58.200 0.104 0.000 0.953 349 S CB 0.291 63.514 63.200 0.039 0.000 0.810 349 S HN 0.723 nan 8.310 nan 0.000 0.497 350 S N 0.424 116.197 115.700 0.122 0.000 2.543 350 S HA 0.516 4.986 4.470 -0.001 0.000 0.273 350 S C -1.674 173.005 174.600 0.132 0.000 1.152 350 S CA -0.608 57.644 58.200 0.086 0.000 0.910 350 S CB 1.509 64.731 63.200 0.037 0.000 1.105 350 S HN -0.045 nan 8.310 nan 0.000 0.465 351 V N 4.548 124.539 119.914 0.129 0.000 2.304 351 V HA 0.493 4.613 4.120 -0.001 0.000 0.278 351 V C -0.405 175.771 176.094 0.137 0.000 1.018 351 V CA -0.561 61.830 62.300 0.153 0.000 0.814 351 V CB 1.044 32.987 31.823 0.201 0.000 1.021 351 V HN 0.819 nan 8.190 nan 0.000 0.440 352 Q N 3.161 123.064 119.800 0.171 0.000 2.340 352 Q HA 0.467 4.806 4.340 -0.001 0.000 0.259 352 Q C -0.825 175.395 176.000 0.366 0.000 0.964 352 Q CA -0.118 55.797 55.803 0.186 0.000 0.900 352 Q CB 0.901 29.711 28.738 0.120 0.000 1.228 352 Q HN 0.838 nan 8.270 nan 0.000 0.449 353 H N 1.877 121.063 119.070 0.193 0.000 2.538 353 H HA 0.553 5.108 4.556 -0.001 0.000 0.353 353 H C -1.546 173.923 175.328 0.235 0.000 1.109 353 H CA -0.505 55.675 56.048 0.220 0.000 1.192 353 H CB 1.247 31.082 29.762 0.122 0.000 1.555 353 H HN 0.542 nan 8.280 nan 0.000 0.518 354 Q N 3.561 123.153 119.800 -0.346 0.000 2.323 354 Q HA 0.458 4.798 4.340 -0.001 0.000 0.271 354 Q C -1.333 174.419 176.000 -0.413 0.000 1.048 354 Q CA -0.847 54.803 55.803 -0.255 0.000 0.792 354 Q CB 1.813 30.693 28.738 0.236 0.000 1.280 354 Q HN 0.748 nan 8.270 nan 0.000 0.441 355 S N 1.584 117.151 115.700 -0.222 0.000 2.473 355 S HA 0.573 5.042 4.470 -0.001 0.000 0.307 355 S C -0.976 173.713 174.600 0.148 0.000 1.094 355 S CA -0.388 57.864 58.200 0.087 0.000 1.070 355 S CB 1.835 65.181 63.200 0.244 0.000 1.019 355 S HN 0.525 nan 8.310 nan 0.000 0.480 356 T N 4.095 118.749 114.554 0.167 0.000 2.812 356 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 356 T C -0.785 173.792 174.700 -0.205 0.000 0.990 356 T CA -0.426 61.696 62.100 0.037 0.000 0.960 356 T CB 0.992 69.944 68.868 0.141 0.000 0.948 356 T HN 0.501 nan 8.240 nan 0.000 0.438 357 M N 3.241 122.677 119.600 -0.273 0.000 2.327 357 M HA 0.499 4.978 4.480 -0.001 0.000 0.298 357 M C -1.425 174.582 176.300 -0.488 0.000 1.065 357 M CA -0.613 54.431 55.300 -0.427 0.000 0.916 357 M CB 2.217 34.589 32.600 -0.379 0.000 1.630 357 M HN 0.660 nan 8.290 nan 0.000 0.442 358 E N 4.392 124.251 120.200 -0.568 0.000 2.187 358 E HA 0.549 4.899 4.350 -0.001 0.000 0.268 358 E C -1.911 174.386 176.600 -0.505 0.000 0.896 358 E CA -0.611 55.398 56.400 -0.651 0.000 0.766 358 E CB 1.956 31.089 29.700 -0.946 0.000 1.142 358 E HN 0.719 nan 8.360 nan 0.000 0.408 359 L N 3.803 124.786 121.223 -0.400 0.000 2.313 359 L HA 0.513 4.852 4.340 -0.001 0.000 0.283 359 L C -0.302 176.456 176.870 -0.187 0.000 1.013 359 L CA -0.323 54.350 54.840 -0.278 0.000 0.816 359 L CB 1.517 43.381 42.059 -0.326 0.000 1.236 359 L HN 0.732 nan 8.230 nan 0.000 0.419 360 S N 1.371 117.055 115.700 -0.027 0.000 2.819 360 S HA 0.372 4.842 4.470 -0.001 0.000 0.299 360 S C 0.254 175.009 174.600 0.257 0.000 1.192 360 S CA -0.726 57.505 58.200 0.052 0.000 0.847 360 S CB 1.616 64.844 63.200 0.047 0.000 1.224 360 S HN 0.540 nan 8.310 nan 0.000 0.537 361 E N 0.967 121.298 120.200 0.218 0.000 2.274 361 E HA 0.303 4.653 4.350 -0.001 0.000 0.194 361 E C 0.879 177.748 176.600 0.450 0.000 0.996 361 E CA 0.817 57.443 56.400 0.378 0.000 0.840 361 E CB -0.484 29.362 29.700 0.243 0.000 0.772 361 E HN 0.783 nan 8.360 nan 0.000 0.491 362 A N 1.040 123.984 122.820 0.205 0.000 2.566 362 A HA 0.461 4.781 4.320 -0.001 0.000 0.245 362 A C 0.688 178.397 177.584 0.208 0.000 1.056 362 A CA 1.020 53.105 52.037 0.080 0.000 0.757 362 A CB -0.091 18.736 19.000 -0.289 0.000 0.979 362 A HN 0.222 nan 8.150 nan 0.000 0.508 363 G N -0.085 108.923 108.800 0.347 0.000 2.559 363 G HA2 0.507 4.466 3.960 -0.001 0.000 0.291 363 G HA3 0.507 4.466 3.960 -0.001 0.000 0.291 363 G C 0.215 175.298 174.900 0.305 0.000 1.424 363 G CA 0.233 45.587 45.100 0.423 0.000 0.786 363 G HN 1.366 nan 8.290 nan 0.000 0.485 364 V N -0.566 119.493 119.914 0.241 0.000 2.391 364 V HA 0.336 4.456 4.120 -0.001 0.000 0.237 364 V C 0.950 177.093 176.094 0.082 0.000 1.046 364 V CA 1.448 63.824 62.300 0.126 0.000 1.053 364 V CB -0.426 31.443 31.823 0.077 0.000 0.704 364 V HN 0.698 nan 8.190 nan 0.000 0.475 365 E N -0.232 120.007 120.200 0.066 0.000 2.354 365 E HA 0.446 4.796 4.350 -0.001 0.000 0.269 365 E C 0.730 177.331 176.600 0.000 0.000 1.036 365 E CA 0.290 56.700 56.400 0.016 0.000 0.876 365 E CB 1.620 31.312 29.700 -0.013 0.000 1.009 365 E HN 0.537 nan 8.360 nan 0.000 0.416 366 A N 2.898 125.709 122.820 -0.015 0.000 1.859 366 A HA 0.331 4.651 4.320 -0.001 0.000 0.212 366 A C 0.835 178.376 177.584 -0.072 0.000 1.238 366 A CA 1.146 53.165 52.037 -0.030 0.000 0.613 366 A CB -0.037 18.955 19.000 -0.014 0.000 0.904 366 A HN 0.607 nan 8.150 nan 0.000 0.457 378 S N 1.317 117.052 115.700 0.059 0.000 2.562 378 S HA 0.609 5.078 4.470 -0.001 0.000 0.281 378 S C -0.337 174.319 174.600 0.093 0.000 1.333 378 S CA -0.512 57.735 58.200 0.078 0.000 1.052 378 S CB 0.165 63.416 63.200 0.086 0.000 0.884 378 S HN 0.456 nan 8.310 nan 0.000 0.506 379 L N 2.442 123.731 121.223 0.110 0.000 2.421 379 L HA 0.391 4.731 4.340 -0.001 0.000 0.263 379 L C 0.907 177.889 176.870 0.188 0.000 1.122 379 L CA 0.245 55.167 54.840 0.137 0.000 0.804 379 L CB 0.699 42.833 42.059 0.124 0.000 1.150 379 L HN 0.566 nan 8.230 nan 0.000 0.457 380 S N -0.177 115.672 115.700 0.249 0.000 2.614 380 S HA 0.486 4.956 4.470 -0.001 0.000 0.265 380 S C -0.165 174.662 174.600 0.379 0.000 1.303 380 S CA -0.605 57.799 58.200 0.341 0.000 1.000 380 S CB 0.894 64.358 63.200 0.440 0.000 0.935 380 S HN 0.578 nan 8.310 nan 0.000 0.551 381 S N 1.275 117.215 115.700 0.400 0.000 2.473 381 S HA 0.555 5.024 4.470 -0.001 0.000 0.307 381 S C -1.188 173.558 174.600 0.244 0.000 1.094 381 S CA -0.521 57.897 58.200 0.363 0.000 1.070 381 S CB 0.574 64.029 63.200 0.425 0.000 1.019 381 S HN 0.527 nan 8.310 nan 0.000 0.480 382 F N 3.175 123.006 119.950 -0.199 0.000 2.402 382 F HA 0.509 5.036 4.527 -0.001 0.000 0.355 382 F C -0.361 175.441 175.800 0.004 0.000 1.123 382 F CA -0.534 57.221 58.000 -0.408 0.000 1.021 382 F CB 0.998 39.368 39.000 -1.050 0.000 1.160 382 F HN 0.403 nan 8.300 nan 0.000 0.451 383 T N 6.015 120.314 114.554 -0.425 0.000 2.864 383 T HA 0.296 4.646 4.350 -0.001 0.000 0.310 383 T C -0.540 173.851 174.700 -0.515 0.000 1.040 383 T CA -0.538 61.396 62.100 -0.278 0.000 0.977 383 T CB 1.056 69.813 68.868 -0.186 0.000 0.976 383 T HN 0.277 nan 8.240 nan 0.000 0.459 384 V N 5.468 125.065 119.914 -0.528 0.000 2.229 384 V HA 0.180 4.300 4.120 -0.001 0.000 0.245 384 V C 0.862 176.904 176.094 -0.086 0.000 1.243 384 V CA -0.359 61.689 62.300 -0.421 0.000 1.176 384 V CB -1.028 30.500 31.823 -0.492 0.000 1.323 384 V HN 0.920 nan 8.190 nan 0.000 0.499 385 N N 3.430 122.035 118.700 -0.159 0.000 2.305 385 N HA 0.169 4.908 4.740 -0.001 0.000 0.248 385 N C 0.084 175.213 175.510 -0.635 0.000 1.290 385 N CA -0.421 52.481 53.050 -0.247 0.000 0.873 385 N CB 0.685 39.140 38.487 -0.053 0.000 1.261 385 N HN 0.467 nan 8.380 nan 0.000 0.504 386 R N 0.068 120.269 120.500 -0.499 0.000 2.854 386 R HA 0.552 4.892 4.340 -0.001 0.000 0.271 386 R C -2.805 173.548 176.300 0.089 0.000 0.994 386 R CA -1.830 54.096 56.100 -0.289 0.000 0.945 386 R CB 1.547 31.740 30.300 -0.177 0.000 1.194 386 R HN -0.002 nan 8.270 nan 0.000 0.476 387 P HA -0.002 nan 4.420 nan 0.000 0.267 387 P C -1.098 176.690 177.300 0.813 0.000 1.201 387 P CA 0.375 63.873 63.100 0.664 0.000 0.775 387 P CB 0.324 32.304 31.700 0.466 0.000 0.854 388 F N -0.344 119.989 119.950 0.638 0.000 2.773 388 F HA 0.662 5.189 4.527 -0.001 0.000 0.314 388 F C -2.353 173.725 175.800 0.462 0.000 1.160 388 F CA -1.404 56.862 58.000 0.443 0.000 0.920 388 F CB 0.782 39.970 39.000 0.313 0.000 1.323 388 F HN 0.162 nan 8.300 nan 0.000 0.457 389 L N 2.778 124.271 121.223 0.450 0.000 2.346 389 L HA 0.805 5.145 4.340 -0.001 0.000 0.274 389 L C -1.382 175.771 176.870 0.471 0.000 1.007 389 L CA -0.905 54.127 54.840 0.320 0.000 0.818 389 L CB 1.809 43.965 42.059 0.161 0.000 1.284 389 L HN 0.749 nan 8.230 nan 0.000 0.424 390 F N 1.835 121.890 119.950 0.174 0.000 2.588 390 F HA 0.728 5.254 4.527 -0.001 0.000 0.314 390 F C -1.736 174.000 175.800 -0.106 0.000 1.069 390 F CA -1.185 56.840 58.000 0.041 0.000 0.931 390 F CB 1.174 40.127 39.000 -0.078 0.000 1.260 390 F HN 0.149 nan 8.300 nan 0.000 0.465 391 F N 2.651 122.601 119.950 0.001 0.000 2.520 391 F HA 0.614 5.141 4.527 -0.001 0.000 0.322 391 F C -0.400 175.496 175.800 0.160 0.000 1.103 391 F CA -0.981 57.024 58.000 0.009 0.000 0.926 391 F CB 2.064 41.052 39.000 -0.020 0.000 1.154 391 F HN 0.383 nan 8.300 nan 0.000 0.453 392 I N 5.354 126.166 120.570 0.403 0.000 2.307 392 I HA 0.296 4.466 4.170 -0.001 0.000 0.289 392 I C -0.496 175.858 176.117 0.395 0.000 1.021 392 I CA -0.323 61.226 61.300 0.414 0.000 1.224 392 I CB 0.690 38.815 38.000 0.208 0.000 1.376 392 I HN 0.360 nan 8.210 nan 0.000 0.470 393 M N 4.882 124.737 119.600 0.425 0.000 2.478 393 M HA 0.342 4.822 4.480 -0.001 0.000 0.327 393 M C -0.194 176.368 176.300 0.437 0.000 1.187 393 M CA -0.851 54.690 55.300 0.401 0.000 1.022 393 M CB 1.595 34.428 32.600 0.388 0.000 1.629 393 M HN 0.432 nan 8.290 nan 0.000 0.461 394 E N 0.928 121.380 120.200 0.420 0.000 2.200 394 E HA 0.219 4.569 4.350 -0.001 0.000 0.283 394 E C -0.590 176.269 176.600 0.431 0.000 1.015 394 E CA -0.176 56.480 56.400 0.428 0.000 0.819 394 E CB 0.812 30.784 29.700 0.454 0.000 1.081 394 E HN 0.446 nan 8.360 nan 0.000 0.397 395 D N 2.848 123.520 120.400 0.454 0.000 2.333 395 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 395 D C 0.865 177.517 176.300 0.587 0.000 0.984 395 D CA 0.702 55.030 54.000 0.546 0.000 0.873 395 D CB 0.157 41.252 40.800 0.491 0.000 0.935 395 D HN 0.541 nan 8.370 nan 0.000 0.521 396 T N 0.970 115.785 114.554 0.436 0.000 2.777 396 T HA -0.052 4.298 4.350 -0.001 0.000 0.266 396 T C 2.039 176.958 174.700 0.365 0.000 1.040 396 T CA 1.019 63.344 62.100 0.375 0.000 1.141 396 T CB 0.095 69.127 68.868 0.273 0.000 0.868 396 T HN 0.376 nan 8.240 nan 0.000 0.444 397 I N -3.943 116.796 120.570 0.282 0.000 4.592 397 I HA 0.580 4.750 4.170 -0.001 0.000 0.329 397 I C 1.264 177.224 176.117 -0.263 0.000 1.309 397 I CA 0.158 61.515 61.300 0.095 0.000 1.243 397 I CB 0.723 38.809 38.000 0.144 0.000 1.241 397 I HN 0.266 nan 8.210 nan 0.000 0.434 398 G N 2.094 110.746 108.800 -0.246 0.000 2.138 398 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.193 398 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.193 398 G C -0.069 174.855 174.900 0.040 0.000 0.998 398 G CA -0.061 44.761 45.100 -0.463 0.000 0.668 398 G HN 0.219 nan 8.290 nan 0.000 0.516 399 V N 2.561 122.532 119.914 0.096 0.000 2.488 399 V HA 0.436 4.555 4.120 -0.001 0.000 0.277 399 V C -1.376 174.832 176.094 0.191 0.000 1.046 399 V CA -1.296 61.053 62.300 0.083 0.000 0.986 399 V CB 1.344 33.074 31.823 -0.155 0.000 0.989 399 V HN 0.243 nan 8.190 nan 0.000 0.475 400 P HA 0.255 nan 4.420 nan 0.000 0.282 400 P C 0.314 177.725 177.300 0.185 0.000 1.262 400 P CA -0.081 63.148 63.100 0.215 0.000 0.773 400 P CB 1.240 33.075 31.700 0.226 0.000 0.879 401 L N 2.005 123.369 121.223 0.235 0.000 2.316 401 L HA 0.262 4.601 4.340 -0.001 0.000 0.207 401 L C 0.571 177.412 176.870 -0.049 0.000 1.070 401 L CA 0.890 55.848 54.840 0.196 0.000 0.820 401 L CB -0.085 42.200 42.059 0.376 0.000 0.992 401 L HN 0.247 nan 8.230 nan 0.000 0.466 402 F N -0.512 119.431 119.950 -0.012 0.000 2.588 402 F HA 0.544 5.070 4.527 -0.001 0.000 0.310 402 F C -0.405 175.193 175.800 -0.337 0.000 1.082 402 F CA -1.136 56.794 58.000 -0.117 0.000 0.929 402 F CB 2.158 41.129 39.000 -0.048 0.000 1.254 402 F HN -0.395 nan 8.300 nan 0.000 0.455 403 V N -0.022 119.601 119.914 -0.486 0.000 2.962 403 V HA 1.105 5.224 4.120 -0.001 0.000 0.313 403 V C -0.537 174.705 176.094 -1.421 0.000 1.099 403 V CA -0.608 60.982 62.300 -1.183 0.000 0.971 403 V CB 1.292 32.169 31.823 -1.578 0.000 1.028 403 V HN 1.066 nan 8.190 nan 0.000 0.430 404 G N 0.421 108.102 108.800 -1.864 0.000 2.550 404 G HA2 0.640 4.599 3.960 -0.001 0.000 0.293 404 G HA3 0.640 4.599 3.960 -0.001 0.000 0.293 404 G C -1.471 173.087 174.900 -0.568 0.000 1.402 404 G CA -0.039 44.304 45.100 -1.260 0.000 0.784 404 G HN 1.367 nan 8.290 nan 0.000 0.482 405 S N -1.108 114.574 115.700 -0.030 0.000 2.619 405 S HA 0.611 5.081 4.470 -0.001 0.000 0.280 405 S C -1.175 173.460 174.600 0.058 0.000 1.150 405 S CA -0.476 57.812 58.200 0.148 0.000 0.978 405 S CB 1.533 64.886 63.200 0.255 0.000 1.041 405 S HN 0.977 nan 8.310 nan 0.000 0.485 406 V N 6.726 126.560 119.914 -0.134 0.000 2.350 406 V HA 0.518 4.637 4.120 -0.001 0.000 0.285 406 V C 0.881 176.929 176.094 -0.077 0.000 1.014 406 V CA -0.525 61.625 62.300 -0.249 0.000 0.831 406 V CB 1.289 32.705 31.823 -0.678 0.000 1.000 406 V HN 0.953 nan 8.190 nan 0.000 0.433 407 R N 2.917 123.416 120.500 -0.002 0.000 2.279 407 R HA 0.272 4.611 4.340 -0.001 0.000 0.195 407 R C 0.427 176.814 176.300 0.146 0.000 0.905 407 R CA 0.238 56.394 56.100 0.094 0.000 1.044 407 R CB 0.456 30.747 30.300 -0.014 0.000 1.056 407 R HN 0.686 nan 8.270 nan 0.000 0.535 408 N N -0.336 118.341 118.700 -0.038 0.000 2.699 408 N HA 0.144 4.883 4.740 -0.001 0.000 0.271 408 N C -2.680 172.673 175.510 -0.262 0.000 1.216 408 N CA -1.618 51.352 53.050 -0.135 0.000 0.844 408 N CB 1.977 40.441 38.487 -0.040 0.000 1.462 408 N HN -0.213 nan 8.380 nan 0.000 0.555 409 P HA 0.170 nan 4.420 nan 0.000 0.245 409 P C -0.381 176.794 177.300 -0.208 0.000 1.212 409 P CA 0.568 63.456 63.100 -0.353 0.000 0.774 409 P CB 0.160 31.566 31.700 -0.491 0.000 0.999 410 N N -0.612 117.985 118.700 -0.173 0.000 2.697 410 N HA 0.189 4.929 4.740 -0.001 0.000 0.253 410 N C -2.180 173.286 175.510 -0.074 0.000 1.604 410 N CA -1.938 51.050 53.050 -0.104 0.000 0.772 410 N CB 0.237 38.673 38.487 -0.086 0.000 1.267 410 N HN -0.207 nan 8.380 nan 0.000 0.510 411 P HA -0.067 nan 4.420 nan 0.000 0.220 411 P C 0.888 178.159 177.300 -0.048 0.000 1.144 411 P CA 1.114 64.181 63.100 -0.056 0.000 0.800 411 P CB 0.438 32.106 31.700 -0.053 0.000 0.772 412 S N -1.163 114.508 115.700 -0.049 0.000 2.461 412 S HA 0.131 4.601 4.470 -0.001 0.000 0.228 412 S C 1.139 175.719 174.600 -0.034 0.000 1.005 412 S CA 0.275 58.449 58.200 -0.043 0.000 0.942 412 S CB -0.547 62.624 63.200 -0.048 0.000 0.776 412 S HN 0.168 nan 8.310 nan 0.000 0.514 413 A N 1.393 124.195 122.820 -0.029 0.000 2.462 413 A HA 0.399 4.718 4.320 -0.001 0.000 0.243 413 A C 0.016 177.598 177.584 -0.003 0.000 1.076 413 A CA -0.229 51.800 52.037 -0.014 0.000 0.773 413 A CB 0.026 19.022 19.000 -0.006 0.000 1.010 413 A HN 0.470 nan 8.150 nan 0.000 0.493 414 L N 3.833 125.060 121.223 0.006 0.000 2.433 414 L HA 0.201 4.540 4.340 -0.001 0.000 0.275 414 L C -1.799 175.098 176.870 0.045 0.000 1.128 414 L CA -1.619 53.230 54.840 0.015 0.000 0.875 414 L CB 0.780 42.850 42.059 0.018 0.000 1.171 414 L HN 0.525 nan 8.230 nan 0.000 0.463 415 P HA 0.083 nan 4.420 nan 0.000 0.269 415 P C -1.236 176.167 177.300 0.170 0.000 1.215 415 P CA -0.142 63.025 63.100 0.111 0.000 0.780 415 P CB 0.528 32.269 31.700 0.069 0.000 0.898 416 Q N 0.669 120.588 119.800 0.199 0.000 2.342 416 Q HA 0.477 4.816 4.340 -0.001 0.000 0.267 416 Q C -0.982 175.068 176.000 0.082 0.000 1.038 416 Q CA -1.152 54.736 55.803 0.142 0.000 0.832 416 Q CB 2.000 30.800 28.738 0.102 0.000 1.323 416 Q HN 0.265 nan 8.270 nan 0.000 0.448 417 L N 3.496 124.693 121.223 -0.044 0.000 2.283 417 L HA 0.141 4.481 4.340 -0.001 0.000 0.287 417 L C -0.281 176.420 176.870 -0.282 0.000 1.073 417 L CA 0.261 54.877 54.840 -0.374 0.000 0.822 417 L CB 0.583 42.441 42.059 -0.336 0.000 1.186 417 L HN 0.535 nan 8.230 nan 0.000 0.436 418 Q N 2.461 122.061 119.800 -0.333 0.000 2.312 418 Q HA 0.406 4.746 4.340 -0.001 0.000 0.236 418 Q C -0.228 175.638 176.000 -0.224 0.000 0.965 418 Q CA -0.593 55.040 55.803 -0.284 0.000 0.894 418 Q CB 0.995 29.524 28.738 -0.349 0.000 1.225 418 Q HN 0.573 nan 8.270 nan 0.000 0.478 419 E N 0.000 120.096 120.200 -0.174 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 419 E CA 0.000 56.324 56.400 -0.126 0.000 0.976 419 E CB 0.000 29.645 29.700 -0.092 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440