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 2exb_1_A DATA FIRST_RESID 24 DATA SEQUENCE DEYITQLPAG ANLALMVQKV GASAPAIDYH SQQMALPAST QKVITALAAL DATA SEQUENCE IQLGPDFRFT TTLETKGNVE NGVLKGDLVA RFGADPTLKR QDIRNMVATL DATA SEQUENCE KKSGVNQIDG NVLIDTSIFA SHDKAPGWPW NDMTQcFSAP PAAAIVDRNc DATA SEQUENCE FSVSLYSAPK PGDMAFIRVA SYYPVTMFSQ VRTLPRGSAE AQYcELDVVP DATA SEQUENCE GDLNRFTLTG cLPQRSEPLP LAFAVQDGAS YAGAILKYEL KQAGITWSGT DATA SEQUENCE LLRQTQVNEP GTVVASKQSA PLHDLLKIML KKSDNMIADT VFRMIGHARF DATA SEQUENCE NVPGTWRAGS DAVRQILRQQ AGVDIGNTII ADGSGLSRHN LIAPATMMQV DATA SEQUENCE LQYIAQHDNE LNFISMLPLA GYDGSLQYRA GLHQAGVDGK VSAKTGSLQG DATA SEQUENCE VYNLAGFITT ASGQRMAFVQ YLSGYAVXXX XXXXXRIPLV RFESRLYKDI DATA SEQUENCE YQNN 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.168 176.300 -0.220 0.000 2.045 24 D CA 0.000 53.860 54.000 -0.234 0.000 0.868 24 D CB 0.000 40.696 40.800 -0.173 0.000 0.688 25 E N 0.284 120.267 120.200 -0.363 0.000 2.107 25 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 25 E C 1.812 178.324 176.600 -0.147 0.000 0.982 25 E CA 0.843 57.072 56.400 -0.284 0.000 0.809 25 E CB 0.075 29.560 29.700 -0.359 0.000 0.756 25 E HN 0.350 nan 8.360 nan 0.000 0.459 26 Y N 0.980 121.276 120.300 -0.006 0.000 2.145 26 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 26 Y C 2.310 178.339 175.900 0.216 0.000 1.145 26 Y CA 0.458 58.602 58.100 0.075 0.000 1.148 26 Y CB -0.900 37.542 38.460 -0.029 0.000 0.981 26 Y HN -0.006 nan 8.280 nan 0.000 0.507 27 I N -0.251 120.469 120.570 0.249 0.000 2.236 27 I HA -0.363 3.807 4.170 -0.000 0.000 0.249 27 I C 2.013 178.165 176.117 0.059 0.000 1.102 27 I CA 1.944 63.294 61.300 0.082 0.000 1.365 27 I CB -0.981 36.966 38.000 -0.088 0.000 1.051 27 I HN 0.188 nan 8.210 nan 0.000 0.420 28 T N 0.180 114.773 114.554 0.065 0.000 2.897 28 T HA -0.167 4.182 4.350 -0.000 0.000 0.271 28 T C 1.765 176.506 174.700 0.069 0.000 1.084 28 T CA 0.913 63.042 62.100 0.049 0.000 1.123 28 T CB -0.211 68.676 68.868 0.032 0.000 0.865 28 T HN 0.385 nan 8.240 nan 0.000 0.496 29 Q N 0.297 120.175 119.800 0.129 0.000 2.364 29 Q HA 0.136 4.475 4.340 -0.000 0.000 0.207 29 Q C 0.712 176.770 176.000 0.097 0.000 0.970 29 Q CA 0.569 56.456 55.803 0.139 0.000 0.888 29 Q CB -0.314 28.566 28.738 0.236 0.000 0.951 29 Q HN 0.523 nan 8.270 nan 0.000 0.469 30 L N 1.941 123.191 121.223 0.045 0.000 2.344 30 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 30 L C -1.975 174.878 176.870 -0.030 0.000 1.035 30 L CA -2.246 52.596 54.840 0.003 0.000 0.807 30 L CB 0.544 42.553 42.059 -0.084 0.000 1.237 30 L HN -0.087 nan 8.230 nan 0.000 0.442 31 P HA -0.070 nan 4.420 nan 0.000 0.266 31 P C 0.010 177.272 177.300 -0.063 0.000 1.186 31 P CA -0.014 63.021 63.100 -0.108 0.000 0.767 31 P CB 0.680 32.247 31.700 -0.222 0.000 0.820 32 A N 2.745 125.538 122.820 -0.045 0.000 2.119 32 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 32 A C 2.163 179.733 177.584 -0.022 0.000 1.152 32 A CA 1.379 53.403 52.037 -0.022 0.000 0.708 32 A CB -1.207 17.785 19.000 -0.012 0.000 0.805 32 A HN 0.641 nan 8.150 nan 0.000 0.460 33 G N -0.575 108.201 108.800 -0.040 0.000 2.625 33 G HA2 0.298 4.258 3.960 -0.000 0.000 0.214 33 G HA3 0.298 4.258 3.960 -0.000 0.000 0.214 33 G C 0.633 175.524 174.900 -0.016 0.000 1.132 33 G CA 0.720 45.800 45.100 -0.033 0.000 0.782 33 G HN 0.785 nan 8.290 nan 0.000 0.538 34 A N 0.102 122.916 122.820 -0.010 0.000 2.306 34 A HA 0.593 4.913 4.320 -0.000 0.000 0.314 34 A C -0.360 177.244 177.584 0.033 0.000 1.164 34 A CA -0.678 51.375 52.037 0.026 0.000 0.822 34 A CB 0.782 19.813 19.000 0.052 0.000 1.130 34 A HN 0.119 nan 8.150 nan 0.000 0.496 35 N N 1.846 120.576 118.700 0.049 0.000 2.501 35 N HA 0.381 5.121 4.740 -0.000 0.000 0.245 35 N C -1.579 173.987 175.510 0.093 0.000 0.974 35 N CA -0.349 52.730 53.050 0.049 0.000 0.941 35 N CB 0.809 39.314 38.487 0.030 0.000 1.122 35 N HN 0.551 nan 8.380 nan 0.000 0.507 36 L N 3.135 124.442 121.223 0.141 0.000 2.295 36 L HA 0.820 5.160 4.340 -0.000 0.000 0.285 36 L C -0.771 176.297 176.870 0.329 0.000 1.035 36 L CA -0.497 54.475 54.840 0.220 0.000 0.806 36 L CB 1.321 43.484 42.059 0.172 0.000 1.214 36 L HN 0.582 nan 8.230 nan 0.000 0.426 37 A N 5.736 128.739 122.820 0.304 0.000 2.335 37 A HA 0.756 5.076 4.320 -0.000 0.000 0.304 37 A C -1.728 176.019 177.584 0.272 0.000 1.118 37 A CA -0.449 51.761 52.037 0.290 0.000 0.757 37 A CB 1.154 20.290 19.000 0.226 0.000 1.188 37 A HN 0.742 nan 8.150 nan 0.000 0.460 38 L N 2.440 123.837 121.223 0.292 0.000 2.455 38 L HA 0.841 5.181 4.340 -0.000 0.000 0.264 38 L C -0.982 175.994 176.870 0.176 0.000 0.968 38 L CA -0.308 54.676 54.840 0.240 0.000 0.827 38 L CB 1.881 44.126 42.059 0.310 0.000 1.317 38 L HN 0.820 nan 8.230 nan 0.000 0.407 39 M N 5.111 124.783 119.600 0.119 0.000 2.326 39 M HA 0.717 5.197 4.480 -0.000 0.000 0.292 39 M C -1.993 174.377 176.300 0.117 0.000 1.081 39 M CA -0.604 54.752 55.300 0.094 0.000 0.919 39 M CB 2.049 34.676 32.600 0.046 0.000 1.634 39 M HN 0.404 nan 8.290 nan 0.000 0.451 40 V N 3.902 123.881 119.914 0.110 0.000 2.577 40 V HA 0.558 4.678 4.120 -0.000 0.000 0.303 40 V C -1.026 175.127 176.094 0.098 0.000 1.042 40 V CA -0.557 61.821 62.300 0.129 0.000 0.872 40 V CB 1.865 33.747 31.823 0.098 0.000 0.998 40 V HN 0.884 nan 8.190 nan 0.000 0.423 41 Q N 2.946 122.812 119.800 0.109 0.000 2.284 41 Q HA 0.413 4.753 4.340 -0.000 0.000 0.269 41 Q C -0.730 175.333 176.000 0.105 0.000 1.026 41 Q CA -0.789 55.066 55.803 0.088 0.000 0.831 41 Q CB 2.342 31.123 28.738 0.072 0.000 1.322 41 Q HN 0.749 nan 8.270 nan 0.000 0.419 42 K N 2.021 122.472 120.400 0.085 0.000 2.527 42 K HA 0.068 4.387 4.320 -0.000 0.000 0.278 42 K C -0.668 175.984 176.600 0.087 0.000 0.981 42 K CA -0.132 56.205 56.287 0.083 0.000 1.009 42 K CB 0.548 33.081 32.500 0.054 0.000 0.895 42 K HN 0.454 nan 8.250 nan 0.000 0.493 43 V N 4.252 124.224 119.914 0.097 0.000 2.540 43 V HA 0.095 4.215 4.120 -0.000 0.000 0.297 43 V C 1.428 177.549 176.094 0.045 0.000 1.024 43 V CA 1.487 63.839 62.300 0.086 0.000 1.105 43 V CB 0.342 32.208 31.823 0.072 0.000 0.938 43 V HN 1.165 nan 8.190 nan 0.000 0.482 44 G N 3.858 112.683 108.800 0.042 0.000 2.199 44 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.254 44 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.254 44 G C 0.457 175.372 174.900 0.026 0.000 0.982 44 G CA 0.227 45.341 45.100 0.023 0.000 0.632 44 G HN 1.477 nan 8.290 nan 0.000 0.529 45 A N 0.362 123.202 122.820 0.034 0.000 2.386 45 A HA 0.709 5.029 4.320 -0.000 0.000 0.248 45 A C 1.599 179.202 177.584 0.032 0.000 1.082 45 A CA 1.112 53.167 52.037 0.030 0.000 0.789 45 A CB 0.501 19.521 19.000 0.034 0.000 1.025 45 A HN 1.363 nan 8.150 nan 0.000 0.490 46 S N 0.160 115.875 115.700 0.026 0.000 2.501 46 S HA 0.432 4.902 4.470 -0.000 0.000 0.220 46 S C 0.646 175.262 174.600 0.027 0.000 0.997 46 S CA 0.455 58.670 58.200 0.026 0.000 0.919 46 S CB -0.145 63.067 63.200 0.020 0.000 0.778 46 S HN 1.516 nan 8.310 nan 0.000 0.523 47 A N 2.210 125.046 122.820 0.027 0.000 2.475 47 A HA 0.766 5.086 4.320 -0.000 0.000 0.301 47 A C -3.062 174.541 177.584 0.032 0.000 1.059 47 A CA -1.935 50.118 52.037 0.026 0.000 0.710 47 A CB 1.028 20.041 19.000 0.020 0.000 1.288 47 A HN 0.138 nan 8.150 nan 0.000 0.408 48 P HA 0.389 nan 4.420 nan 0.000 0.277 48 P C 0.590 177.913 177.300 0.038 0.000 1.240 48 P CA 0.109 63.234 63.100 0.042 0.000 0.798 48 P CB 1.619 33.346 31.700 0.044 0.000 0.979 49 A N 3.195 126.040 122.820 0.042 0.000 1.930 49 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 49 A C 1.105 178.710 177.584 0.036 0.000 1.176 49 A CA 0.961 53.019 52.037 0.034 0.000 0.632 49 A CB -0.409 18.611 19.000 0.034 0.000 0.819 49 A HN 0.563 nan 8.150 nan 0.000 0.445 50 I N -0.122 120.477 120.570 0.050 0.000 2.499 50 I HA 0.339 4.508 4.170 -0.000 0.000 0.288 50 I C -1.709 174.458 176.117 0.083 0.000 1.048 50 I CA -0.658 60.680 61.300 0.063 0.000 1.062 50 I CB 2.271 40.308 38.000 0.061 0.000 1.238 50 I HN 0.026 nan 8.210 nan 0.000 0.426 51 D N 5.969 126.426 120.400 0.095 0.000 2.386 51 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 51 D C -1.920 174.462 176.300 0.137 0.000 1.336 51 D CA -0.236 53.820 54.000 0.094 0.000 0.976 51 D CB 1.132 41.959 40.800 0.047 0.000 1.257 51 D HN 0.373 nan 8.370 nan 0.000 0.570 52 Y N 4.923 125.226 120.300 0.006 0.000 2.402 52 Y HA 0.278 4.828 4.550 -0.000 0.000 0.325 52 Y C -0.141 175.783 175.900 0.040 0.000 1.009 52 Y CA -0.525 57.558 58.100 -0.029 0.000 1.278 52 Y CB 0.205 38.696 38.460 0.052 0.000 1.105 52 Y HN 0.474 nan 8.280 nan 0.000 0.476 53 H N 2.432 121.297 119.070 -0.342 0.000 2.713 53 H HA -0.204 4.352 4.556 -0.000 0.000 0.311 53 H C 1.478 176.766 175.328 -0.066 0.000 1.175 53 H CA 1.109 57.008 56.048 -0.249 0.000 1.143 53 H CB -1.341 28.204 29.762 -0.361 0.000 1.434 53 H HN 0.656 nan 8.280 nan 0.000 0.418 54 S N -1.068 114.656 115.700 0.039 0.000 2.474 54 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 54 S C 1.632 176.264 174.600 0.054 0.000 0.997 54 S CA 1.164 59.398 58.200 0.057 0.000 0.949 54 S CB 0.164 63.389 63.200 0.041 0.000 0.766 54 S HN 0.580 nan 8.310 nan 0.000 0.517 55 Q N 0.494 120.323 119.800 0.050 0.000 2.392 55 Q HA 0.220 4.560 4.340 -0.000 0.000 0.203 55 Q C 0.661 176.698 176.000 0.062 0.000 0.917 55 Q CA -0.061 55.772 55.803 0.049 0.000 0.939 55 Q CB 0.189 28.948 28.738 0.035 0.000 1.063 55 Q HN 0.688 nan 8.270 nan 0.000 0.516 56 Q N 1.098 120.944 119.800 0.077 0.000 2.296 56 Q HA 0.173 4.513 4.340 -0.000 0.000 0.262 56 Q C -0.725 175.331 176.000 0.093 0.000 0.981 56 Q CA -0.082 55.762 55.803 0.069 0.000 0.905 56 Q CB 0.643 29.412 28.738 0.052 0.000 1.186 56 Q HN 0.174 nan 8.270 nan 0.000 0.399 57 M N 2.745 122.390 119.600 0.074 0.000 2.217 57 M HA 0.385 4.864 4.480 -0.000 0.000 0.354 57 M C -0.442 175.903 176.300 0.076 0.000 1.225 57 M CA 0.014 55.366 55.300 0.087 0.000 1.137 57 M CB 1.230 33.864 32.600 0.058 0.000 1.576 57 M HN 0.753 nan 8.290 nan 0.000 0.461 58 A N 3.418 126.289 122.820 0.084 0.000 2.527 58 A HA 0.644 4.964 4.320 -0.000 0.000 0.293 58 A C -1.089 176.417 177.584 -0.130 0.000 1.117 58 A CA -0.826 51.207 52.037 -0.007 0.000 0.723 58 A CB 1.293 20.316 19.000 0.039 0.000 1.313 58 A HN 0.828 nan 8.150 nan 0.000 0.411 59 L N 2.620 123.745 121.223 -0.162 0.000 2.500 59 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 59 L C -1.157 175.479 176.870 -0.390 0.000 1.149 59 L CA -1.186 53.540 54.840 -0.189 0.000 0.897 59 L CB 1.443 43.422 42.059 -0.135 0.000 1.178 59 L HN 0.594 nan 8.230 nan 0.000 0.473 60 P HA -0.033 nan 4.420 nan 0.000 0.230 60 P C 0.779 177.930 177.300 -0.248 0.000 1.168 60 P CA 1.040 63.858 63.100 -0.469 0.000 0.793 60 P CB 0.376 31.982 31.700 -0.158 0.000 0.851 61 A N 0.597 123.317 122.820 -0.166 0.000 5.578 61 A HA -0.280 4.040 4.320 -0.000 0.000 0.312 61 A C 1.859 179.402 177.584 -0.069 0.000 1.861 61 A CA 1.921 53.887 52.037 -0.118 0.000 0.719 61 A CB -2.380 16.537 19.000 -0.139 0.000 1.323 61 A HN 0.211 nan 8.150 nan 0.000 0.387 62 S N 0.235 115.901 115.700 -0.057 0.000 2.507 62 S HA -0.007 4.463 4.470 -0.000 0.000 0.235 62 S C 1.872 176.489 174.600 0.029 0.000 0.988 62 S CA 1.883 60.073 58.200 -0.016 0.000 0.944 62 S CB -0.748 62.438 63.200 -0.025 0.000 0.762 62 S HN 1.604 nan 8.310 nan 0.000 0.526 63 T N -0.362 114.218 114.554 0.044 0.000 3.025 63 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 63 T C 1.608 176.375 174.700 0.111 0.000 1.126 63 T CA 1.099 63.259 62.100 0.100 0.000 1.105 63 T CB -0.320 68.663 68.868 0.192 0.000 0.884 63 T HN 0.226 nan 8.240 nan 0.000 0.522 64 Q N 1.725 121.572 119.800 0.078 0.000 2.197 64 Q HA -0.078 4.262 4.340 -0.000 0.000 0.207 64 Q C 2.137 178.212 176.000 0.125 0.000 0.984 64 Q CA 1.619 57.477 55.803 0.092 0.000 0.869 64 Q CB -0.424 28.346 28.738 0.052 0.000 0.906 64 Q HN 0.633 nan 8.270 nan 0.000 0.426 65 K N -0.874 119.596 120.400 0.117 0.000 2.281 65 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 65 K C 1.863 178.585 176.600 0.203 0.000 1.046 65 K CA 1.201 57.576 56.287 0.146 0.000 0.938 65 K CB -0.069 32.499 32.500 0.112 0.000 0.737 65 K HN 0.106 nan 8.250 nan 0.000 0.458 66 V N 1.730 121.774 119.914 0.218 0.000 2.261 66 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 66 V C 2.176 178.451 176.094 0.302 0.000 1.047 66 V CA 1.701 64.195 62.300 0.324 0.000 1.015 66 V CB -0.368 31.578 31.823 0.205 0.000 0.642 66 V HN 0.274 nan 8.190 nan 0.000 0.446 67 I N -0.047 120.642 120.570 0.198 0.000 2.226 67 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 67 I C 2.564 178.804 176.117 0.205 0.000 1.100 67 I CA 1.833 63.234 61.300 0.167 0.000 1.374 67 I CB -0.601 37.486 38.000 0.146 0.000 1.057 67 I HN 0.336 nan 8.210 nan 0.000 0.413 68 T N 0.787 115.481 114.554 0.234 0.000 2.720 68 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 68 T C 2.047 176.883 174.700 0.227 0.000 1.037 68 T CA 1.512 63.766 62.100 0.256 0.000 1.144 68 T CB -0.340 68.693 68.868 0.275 0.000 0.864 68 T HN 0.485 nan 8.240 nan 0.000 0.444 69 A N 1.221 124.196 122.820 0.259 0.000 1.902 69 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 69 A C 2.254 180.052 177.584 0.356 0.000 1.181 69 A CA 1.357 53.546 52.037 0.253 0.000 0.623 69 A CB -0.801 18.312 19.000 0.189 0.000 0.818 69 A HN 0.410 nan 8.150 nan 0.000 0.443 70 L N -0.267 121.224 121.223 0.448 0.000 2.056 70 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 70 L C 2.627 179.590 176.870 0.155 0.000 1.078 70 L CA 2.240 57.278 54.840 0.330 0.000 0.749 70 L CB -0.804 41.341 42.059 0.144 0.000 0.901 70 L HN 0.323 nan 8.230 nan 0.000 0.433 71 A N -0.493 122.389 122.820 0.105 0.000 1.933 71 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 71 A C 2.440 180.024 177.584 0.001 0.000 1.175 71 A CA 1.707 53.757 52.037 0.021 0.000 0.628 71 A CB -1.112 17.897 19.000 0.016 0.000 0.814 71 A HN 0.585 nan 8.150 nan 0.000 0.444 72 A N -0.171 122.674 122.820 0.041 0.000 1.873 72 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 72 A C 2.169 179.755 177.584 0.004 0.000 1.186 72 A CA 1.452 53.486 52.037 -0.005 0.000 0.616 72 A CB -0.627 18.397 19.000 0.040 0.000 0.823 72 A HN 0.459 nan 8.150 nan 0.000 0.442 73 L N -0.606 120.665 121.223 0.080 0.000 2.046 73 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 73 L C 2.507 179.412 176.870 0.057 0.000 1.077 73 L CA 1.355 56.253 54.840 0.096 0.000 0.747 73 L CB -0.496 41.665 42.059 0.170 0.000 0.896 73 L HN 0.393 nan 8.230 nan 0.000 0.432 74 I N -0.791 119.802 120.570 0.039 0.000 2.202 74 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 74 I C 2.641 178.735 176.117 -0.038 0.000 1.091 74 I CA 1.147 62.448 61.300 0.001 0.000 1.368 74 I CB -0.116 37.866 38.000 -0.030 0.000 1.058 74 I HN 0.288 nan 8.210 nan 0.000 0.410 75 Q N 1.016 120.770 119.800 -0.076 0.000 2.089 75 Q HA -0.032 4.308 4.340 -0.000 0.000 0.195 75 Q C 1.986 177.909 176.000 -0.128 0.000 0.963 75 Q CA 1.627 57.356 55.803 -0.125 0.000 0.834 75 Q CB 0.003 28.631 28.738 -0.183 0.000 0.906 75 Q HN 0.452 nan 8.270 nan 0.000 0.452 76 L N -1.089 120.044 121.223 -0.149 0.000 2.408 76 L HA 0.373 4.713 4.340 -0.000 0.000 0.215 76 L C 0.893 177.758 176.870 -0.008 0.000 1.081 76 L CA 0.136 54.864 54.840 -0.186 0.000 0.840 76 L CB -0.100 41.667 42.059 -0.486 0.000 1.002 76 L HN 0.387 nan 8.230 nan 0.000 0.468 77 G N 0.556 109.367 108.800 0.019 0.000 2.733 77 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 77 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 77 G C -2.168 172.810 174.900 0.129 0.000 1.373 77 G CA -0.334 44.812 45.100 0.077 0.000 0.838 77 G HN 0.024 nan 8.290 nan 0.000 0.588 78 P HA 0.028 nan 4.420 nan 0.000 0.226 78 P C 0.587 178.043 177.300 0.259 0.000 1.153 78 P CA 1.533 64.765 63.100 0.221 0.000 0.777 78 P CB 0.197 32.014 31.700 0.195 0.000 0.794 79 D N -1.289 119.224 120.400 0.188 0.000 2.349 79 D HA 0.047 4.687 4.640 -0.000 0.000 0.214 79 D C 0.583 176.931 176.300 0.081 0.000 1.063 79 D CA -0.397 53.682 54.000 0.132 0.000 0.847 79 D CB -0.433 40.427 40.800 0.100 0.000 0.933 79 D HN 0.151 nan 8.370 nan 0.000 0.513 80 F N 2.604 122.538 119.950 -0.026 0.000 2.635 80 F HA -0.048 4.478 4.527 -0.000 0.000 0.379 80 F C 0.470 176.210 175.800 -0.101 0.000 1.094 80 F CA 0.350 58.298 58.000 -0.087 0.000 1.300 80 F CB 0.426 39.345 39.000 -0.135 0.000 1.035 80 F HN -0.340 nan 8.300 nan 0.000 0.581 81 R N 5.678 125.543 120.500 -1.057 0.000 2.628 81 R HA 0.348 4.688 4.340 -0.000 0.000 0.288 81 R C -1.230 174.395 176.300 -1.125 0.000 0.980 81 R CA -1.020 54.648 56.100 -0.722 0.000 0.891 81 R CB 1.517 31.607 30.300 -0.351 0.000 1.188 81 R HN 0.491 nan 8.270 nan 0.000 0.450 82 F N 0.662 120.330 119.950 -0.471 0.000 2.496 82 F HA 0.152 4.679 4.527 -0.000 0.000 0.344 82 F C 0.959 176.627 175.800 -0.221 0.000 1.155 82 F CA 0.747 58.609 58.000 -0.230 0.000 1.302 82 F CB 0.974 39.981 39.000 0.010 0.000 1.159 82 F HN 0.252 nan 8.300 nan 0.000 0.595 83 T N 1.111 115.676 114.554 0.019 0.000 2.881 83 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 83 T C -0.673 173.997 174.700 -0.050 0.000 1.000 83 T CA -0.799 61.269 62.100 -0.053 0.000 0.978 83 T CB 1.581 70.385 68.868 -0.106 0.000 0.997 83 T HN 0.471 nan 8.240 nan 0.000 0.443 84 T N 2.843 117.340 114.554 -0.094 0.000 2.841 84 T HA 0.786 5.136 4.350 -0.000 0.000 0.283 84 T C -0.133 174.449 174.700 -0.196 0.000 1.000 84 T CA -0.806 61.180 62.100 -0.190 0.000 0.977 84 T CB 1.593 70.321 68.868 -0.233 0.000 0.979 84 T HN 0.803 nan 8.240 nan 0.000 0.446 85 T N 0.526 114.939 114.554 -0.234 0.000 2.903 85 T HA 0.746 5.096 4.350 -0.000 0.000 0.299 85 T C -0.935 173.649 174.700 -0.194 0.000 1.093 85 T CA -0.983 61.012 62.100 -0.175 0.000 1.002 85 T CB 0.964 69.762 68.868 -0.118 0.000 1.127 85 T HN 0.389 nan 8.240 nan 0.000 0.488 86 L N 1.696 122.834 121.223 -0.141 0.000 2.296 86 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 86 L C -0.001 176.821 176.870 -0.081 0.000 1.023 86 L CA -0.679 54.092 54.840 -0.116 0.000 0.812 86 L CB 1.434 43.434 42.059 -0.098 0.000 1.223 86 L HN 0.757 nan 8.230 nan 0.000 0.421 87 E N 1.402 121.560 120.200 -0.070 0.000 2.238 87 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 87 E C -0.813 175.764 176.600 -0.038 0.000 0.887 87 E CA -0.755 55.616 56.400 -0.049 0.000 0.769 87 E CB 2.506 32.179 29.700 -0.044 0.000 1.187 87 E HN 0.549 nan 8.360 nan 0.000 0.416 88 T N -0.376 114.161 114.554 -0.027 0.000 2.794 88 T HA 0.459 4.809 4.350 -0.000 0.000 0.280 88 T C -0.256 174.437 174.700 -0.012 0.000 0.987 88 T CA -1.063 61.026 62.100 -0.018 0.000 0.993 88 T CB 1.008 69.868 68.868 -0.013 0.000 0.939 88 T HN 0.239 nan 8.240 nan 0.000 0.449 89 K N 2.383 122.778 120.400 -0.008 0.000 2.414 89 K HA 0.634 4.954 4.320 -0.000 0.000 0.251 89 K C 0.078 176.679 176.600 0.002 0.000 1.037 89 K CA -0.686 55.600 56.287 -0.003 0.000 0.980 89 K CB 1.179 33.678 32.500 -0.002 0.000 1.280 89 K HN 1.115 nan 8.250 nan 0.000 0.451 90 G N 1.756 110.557 108.800 0.002 0.000 2.359 90 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.314 90 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.314 90 G C -1.580 173.323 174.900 0.005 0.000 1.364 90 G CA -1.093 44.010 45.100 0.006 0.000 0.978 90 G HN 0.509 nan 8.290 nan 0.000 0.615 91 N N -0.760 117.943 118.700 0.006 0.000 2.499 91 N HA 0.423 5.162 4.740 -0.000 0.000 0.281 91 N C -0.138 175.376 175.510 0.007 0.000 1.098 91 N CA -0.394 52.659 53.050 0.005 0.000 0.979 91 N CB 1.843 40.334 38.487 0.006 0.000 1.121 91 N HN 0.301 nan 8.380 nan 0.000 0.466 92 V N 2.492 122.409 119.914 0.005 0.000 2.334 92 V HA 0.129 4.249 4.120 -0.000 0.000 0.267 92 V C 0.249 176.347 176.094 0.006 0.000 1.040 92 V CA -0.285 62.019 62.300 0.007 0.000 0.866 92 V CB 0.570 32.395 31.823 0.004 0.000 1.019 92 V HN 0.667 nan 8.190 nan 0.000 0.468 93 E N 5.150 125.355 120.200 0.008 0.000 2.114 93 E HA 0.318 4.668 4.350 -0.000 0.000 0.266 93 E C 0.325 176.929 176.600 0.007 0.000 0.896 93 E CA -0.531 55.873 56.400 0.007 0.000 0.750 93 E CB 0.376 30.080 29.700 0.007 0.000 1.121 93 E HN 0.694 nan 8.360 nan 0.000 0.413 94 N N 3.748 122.451 118.700 0.005 0.000 2.758 94 N HA -0.210 4.529 4.740 -0.000 0.000 0.248 94 N C 0.475 175.988 175.510 0.006 0.000 1.076 94 N CA 1.615 54.667 53.050 0.004 0.000 0.696 94 N CB -1.223 37.266 38.487 0.004 0.000 0.979 94 N HN 0.949 nan 8.380 nan 0.000 0.550 95 G N -2.528 106.276 108.800 0.007 0.000 2.162 95 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 95 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 95 G C -0.024 174.885 174.900 0.015 0.000 0.976 95 G CA 0.378 45.483 45.100 0.009 0.000 0.655 95 G HN 0.861 nan 8.290 nan 0.000 0.533 96 V N 1.776 121.699 119.914 0.016 0.000 2.357 96 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 96 V C 0.718 176.825 176.094 0.022 0.000 1.018 96 V CA -0.840 61.473 62.300 0.022 0.000 0.841 96 V CB 1.852 33.687 31.823 0.020 0.000 0.991 96 V HN 0.347 nan 8.190 nan 0.000 0.437 97 L N 5.456 126.696 121.223 0.029 0.000 2.369 97 L HA 0.387 4.727 4.340 -0.000 0.000 0.279 97 L C 0.365 177.252 176.870 0.029 0.000 1.108 97 L CA -0.245 54.610 54.840 0.025 0.000 0.852 97 L CB 0.670 42.744 42.059 0.026 0.000 1.169 97 L HN 0.532 nan 8.230 nan 0.000 0.452 98 K N 4.734 125.147 120.400 0.022 0.000 2.244 98 K HA 0.545 4.865 4.320 -0.000 0.000 0.263 98 K C -0.137 176.475 176.600 0.021 0.000 1.103 98 K CA 0.315 56.616 56.287 0.023 0.000 0.966 98 K CB 0.341 32.851 32.500 0.017 0.000 1.429 98 K HN 0.941 nan 8.250 nan 0.000 0.434 99 G N 2.644 111.460 108.800 0.027 0.000 2.302 99 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.264 99 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.264 99 G C -1.762 173.152 174.900 0.024 0.000 1.335 99 G CA -0.835 44.278 45.100 0.022 0.000 0.982 99 G HN 0.398 nan 8.290 nan 0.000 0.473 100 D N 0.084 120.492 120.400 0.013 0.000 2.163 100 D HA 0.560 5.200 4.640 -0.000 0.000 0.248 100 D C -0.267 176.025 176.300 -0.013 0.000 1.035 100 D CA -0.340 53.661 54.000 0.003 0.000 0.872 100 D CB 2.329 43.129 40.800 -0.000 0.000 1.183 100 D HN 0.435 nan 8.370 nan 0.000 0.445 101 L N 2.018 123.221 121.223 -0.033 0.000 2.290 101 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 101 L C -1.023 175.811 176.870 -0.059 0.000 1.078 101 L CA -0.287 54.520 54.840 -0.054 0.000 0.815 101 L CB 1.170 43.177 42.059 -0.086 0.000 1.162 101 L HN 0.094 nan 8.230 nan 0.000 0.435 102 V N 5.564 125.447 119.914 -0.050 0.000 2.357 102 V HA 0.668 4.787 4.120 -0.000 0.000 0.284 102 V C 0.207 176.264 176.094 -0.061 0.000 1.018 102 V CA -0.527 61.748 62.300 -0.041 0.000 0.841 102 V CB 1.208 33.015 31.823 -0.028 0.000 0.991 102 V HN 0.945 nan 8.190 nan 0.000 0.437 103 A N 5.616 128.409 122.820 -0.045 0.000 2.294 103 A HA 0.576 4.896 4.320 -0.000 0.000 0.316 103 A C 0.220 177.738 177.584 -0.110 0.000 1.359 103 A CA -0.479 51.487 52.037 -0.120 0.000 0.956 103 A CB 0.069 19.043 19.000 -0.043 0.000 1.155 103 A HN 0.816 nan 8.150 nan 0.000 0.544 104 R N 3.502 123.886 120.500 -0.193 0.000 2.204 104 R HA 0.437 4.777 4.340 -0.000 0.000 0.341 104 R C -1.449 174.717 176.300 -0.223 0.000 1.035 104 R CA -0.286 55.748 56.100 -0.109 0.000 0.887 104 R CB 0.102 30.354 30.300 -0.081 0.000 1.114 104 R HN 0.542 nan 8.270 nan 0.000 0.473 105 F N 1.318 121.231 119.950 -0.062 0.000 2.382 105 F HA 0.351 4.878 4.527 -0.000 0.000 0.331 105 F C 1.580 177.308 175.800 -0.120 0.000 1.121 105 F CA 0.331 58.288 58.000 -0.072 0.000 1.183 105 F CB 1.877 40.841 39.000 -0.060 0.000 1.207 105 F HN 0.687 nan 8.300 nan 0.000 0.555 106 G N 0.736 109.560 108.800 0.041 0.000 4.238 106 G HA2 0.429 4.389 3.960 -0.000 0.000 0.292 106 G HA3 0.429 4.389 3.960 -0.000 0.000 0.292 106 G C 0.408 175.323 174.900 0.024 0.000 1.036 106 G CA 0.040 45.120 45.100 -0.033 0.000 0.812 106 G HN 1.158 nan 8.290 nan 0.000 0.489 107 A N 0.383 123.164 122.820 -0.064 0.000 2.952 107 A HA -0.202 4.117 4.320 -0.000 0.000 0.252 107 A C 0.544 178.017 177.584 -0.185 0.000 1.323 107 A CA 0.789 52.772 52.037 -0.090 0.000 0.957 107 A CB -2.008 16.854 19.000 -0.231 0.000 1.130 107 A HN 0.567 nan 8.150 nan 0.000 0.799 108 D N 0.136 120.461 120.400 -0.126 0.000 2.389 108 D HA 0.262 4.902 4.640 -0.000 0.000 0.263 108 D C -0.416 175.695 176.300 -0.315 0.000 1.255 108 D CA -0.869 52.916 54.000 -0.358 0.000 0.914 108 D CB 0.786 41.566 40.800 -0.032 0.000 1.116 108 D HN 0.331 nan 8.370 nan 0.000 0.502 109 P HA -0.067 nan 4.420 nan 0.000 0.233 109 P C 0.814 178.063 177.300 -0.086 0.000 1.167 109 P CA 0.866 63.846 63.100 -0.201 0.000 0.770 109 P CB 0.084 31.661 31.700 -0.205 0.000 0.837 110 T N -4.424 110.077 114.554 -0.088 0.000 3.044 110 T HA 0.195 4.545 4.350 -0.000 0.000 0.260 110 T C 0.525 175.230 174.700 0.007 0.000 1.019 110 T CA -0.478 61.609 62.100 -0.022 0.000 0.921 110 T CB -0.643 68.217 68.868 -0.014 0.000 1.053 110 T HN -0.161 nan 8.240 nan 0.000 0.533 111 L N 2.553 123.786 121.223 0.017 0.000 2.540 111 L HA 0.330 4.670 4.340 -0.000 0.000 0.276 111 L C -0.057 176.857 176.870 0.073 0.000 1.212 111 L CA 0.714 55.585 54.840 0.052 0.000 0.893 111 L CB 0.157 42.274 42.059 0.095 0.000 1.138 111 L HN 0.183 nan 8.230 nan 0.000 0.491 112 K N 4.051 124.487 120.400 0.060 0.000 2.281 112 K HA 0.421 4.741 4.320 -0.000 0.000 0.242 112 K C 0.894 177.531 176.600 0.062 0.000 0.971 112 K CA -0.877 55.447 56.287 0.063 0.000 0.834 112 K CB 1.673 34.194 32.500 0.035 0.000 1.181 112 K HN 0.433 nan 8.250 nan 0.000 0.435 113 R N 0.849 121.383 120.500 0.057 0.000 2.134 113 R HA -0.272 4.067 4.340 -0.000 0.000 0.248 113 R C 2.067 178.381 176.300 0.022 0.000 1.143 113 R CA 1.942 58.063 56.100 0.035 0.000 0.957 113 R CB -0.087 30.204 30.300 -0.014 0.000 0.867 113 R HN 0.576 nan 8.270 nan 0.000 0.441 114 Q N 0.130 119.931 119.800 0.002 0.000 2.226 114 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 114 Q C 1.161 177.164 176.000 0.006 0.000 0.975 114 Q CA 1.369 57.171 55.803 -0.002 0.000 0.866 114 Q CB 0.156 28.884 28.738 -0.016 0.000 0.915 114 Q HN 0.336 nan 8.270 nan 0.000 0.440 115 D N 0.149 120.555 120.400 0.011 0.000 2.144 115 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 115 D C 1.767 178.066 176.300 -0.001 0.000 0.984 115 D CA 0.937 54.939 54.000 0.003 0.000 0.834 115 D CB -0.017 40.787 40.800 0.006 0.000 0.955 115 D HN 0.365 nan 8.370 nan 0.000 0.465 116 I N 0.699 121.281 120.570 0.019 0.000 2.202 116 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 116 I C 2.697 178.821 176.117 0.012 0.000 1.091 116 I CA 0.600 61.911 61.300 0.018 0.000 1.368 116 I CB -0.201 37.837 38.000 0.063 0.000 1.058 116 I HN -0.086 nan 8.210 nan 0.000 0.410 117 R N 1.367 121.882 120.500 0.025 0.000 2.103 117 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 117 R C 1.949 178.249 176.300 0.001 0.000 1.142 117 R CA 2.051 58.164 56.100 0.021 0.000 0.960 117 R CB -0.361 29.958 30.300 0.032 0.000 0.858 117 R HN 0.397 nan 8.270 nan 0.000 0.439 118 N N 0.437 119.134 118.700 -0.005 0.000 2.142 118 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 118 N C 1.879 177.376 175.510 -0.022 0.000 1.023 118 N CA 1.563 54.605 53.050 -0.013 0.000 0.852 118 N CB -0.300 38.179 38.487 -0.015 0.000 0.998 118 N HN 0.300 nan 8.380 nan 0.000 0.424 119 M N 0.076 119.658 119.600 -0.030 0.000 2.117 119 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 119 M C 1.961 178.238 176.300 -0.038 0.000 1.065 119 M CA 0.982 56.256 55.300 -0.044 0.000 1.114 119 M CB -0.087 32.471 32.600 -0.069 0.000 1.361 119 M HN -0.089 nan 8.290 nan 0.000 0.408 120 V N 0.206 120.102 119.914 -0.030 0.000 2.427 120 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 120 V C 2.573 178.655 176.094 -0.019 0.000 1.051 120 V CA 1.877 64.162 62.300 -0.025 0.000 1.048 120 V CB -1.101 30.711 31.823 -0.018 0.000 0.666 120 V HN 0.516 nan 8.190 nan 0.000 0.456 121 A N -0.357 122.453 122.820 -0.017 0.000 1.908 121 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 121 A C 2.397 179.972 177.584 -0.016 0.000 1.181 121 A CA 2.558 54.586 52.037 -0.015 0.000 0.627 121 A CB -0.897 18.096 19.000 -0.013 0.000 0.818 121 A HN 0.496 nan 8.150 nan 0.000 0.445 122 T N -0.058 114.485 114.554 -0.020 0.000 2.821 122 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 122 T C 1.828 176.516 174.700 -0.021 0.000 1.046 122 T CA 1.339 63.426 62.100 -0.021 0.000 1.139 122 T CB -0.339 68.513 68.868 -0.027 0.000 0.871 122 T HN 0.352 nan 8.240 nan 0.000 0.454 123 L N 1.667 122.876 121.223 -0.023 0.000 1.989 123 L HA -0.053 4.286 4.340 -0.000 0.000 0.211 123 L C 2.282 179.146 176.870 -0.011 0.000 1.071 123 L CA 1.989 56.817 54.840 -0.020 0.000 0.749 123 L CB -0.652 41.392 42.059 -0.024 0.000 0.890 123 L HN 0.012 nan 8.230 nan 0.000 0.431 124 K N 0.033 120.429 120.400 -0.008 0.000 2.009 124 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 124 K C 2.292 178.889 176.600 -0.005 0.000 1.049 124 K CA 1.763 58.048 56.287 -0.002 0.000 0.929 124 K CB -0.461 32.037 32.500 -0.003 0.000 0.714 124 K HN 0.175 nan 8.250 nan 0.000 0.440 125 K N 0.573 120.968 120.400 -0.008 0.000 2.160 125 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 125 K C 1.820 178.415 176.600 -0.008 0.000 1.047 125 K CA 1.692 57.974 56.287 -0.008 0.000 0.930 125 K CB -0.341 32.153 32.500 -0.010 0.000 0.720 125 K HN 0.431 nan 8.250 nan 0.000 0.450 126 S N -1.191 114.504 115.700 -0.009 0.000 2.603 126 S HA 0.013 4.483 4.470 -0.000 0.000 0.229 126 S C 1.200 175.796 174.600 -0.005 0.000 0.972 126 S CA 1.022 59.217 58.200 -0.009 0.000 0.935 126 S CB 0.035 63.228 63.200 -0.012 0.000 0.769 126 S HN 0.452 nan 8.310 nan 0.000 0.536 127 G N -0.358 108.440 108.800 -0.003 0.000 2.179 127 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 127 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 127 G C -0.097 174.805 174.900 0.004 0.000 0.990 127 G CA -0.179 44.921 45.100 0.000 0.000 0.646 127 G HN 0.681 nan 8.290 nan 0.000 0.517 128 V N 2.118 122.036 119.914 0.005 0.000 2.368 128 V HA 0.340 4.460 4.120 -0.000 0.000 0.266 128 V C 0.842 176.948 176.094 0.021 0.000 1.045 128 V CA -0.208 62.100 62.300 0.013 0.000 0.899 128 V CB 1.293 33.124 31.823 0.012 0.000 1.006 128 V HN 0.330 nan 8.190 nan 0.000 0.470 129 N N 3.473 122.188 118.700 0.025 0.000 2.294 129 N HA 0.090 4.830 4.740 -0.000 0.000 0.186 129 N C 0.340 175.878 175.510 0.047 0.000 1.107 129 N CA 0.171 53.238 53.050 0.028 0.000 0.884 129 N CB 1.176 39.673 38.487 0.016 0.000 1.030 129 N HN 0.747 nan 8.380 nan 0.000 0.482 130 Q N 0.430 120.262 119.800 0.054 0.000 2.353 130 Q HA 0.448 4.788 4.340 -0.000 0.000 0.275 130 Q C -1.889 174.164 176.000 0.089 0.000 1.029 130 Q CA -0.444 55.403 55.803 0.073 0.000 0.848 130 Q CB 1.938 30.702 28.738 0.043 0.000 1.390 130 Q HN -0.004 nan 8.270 nan 0.000 0.401 131 I N 2.808 123.464 120.570 0.143 0.000 2.382 131 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 131 I C -0.675 175.526 176.117 0.140 0.000 1.002 131 I CA -0.518 60.865 61.300 0.138 0.000 1.135 131 I CB 1.580 39.679 38.000 0.166 0.000 1.288 131 I HN 0.528 nan 8.210 nan 0.000 0.448 132 D N 6.161 126.614 120.400 0.088 0.000 2.563 132 D HA 0.539 5.179 4.640 -0.000 0.000 0.222 132 D C 0.178 176.523 176.300 0.076 0.000 1.145 132 D CA 0.336 54.380 54.000 0.072 0.000 1.001 132 D CB 0.125 40.952 40.800 0.045 0.000 1.049 132 D HN 0.762 nan 8.370 nan 0.000 0.515 133 G N 1.606 110.471 108.800 0.108 0.000 2.344 133 G HA2 0.068 4.027 3.960 -0.000 0.000 0.282 133 G HA3 0.068 4.027 3.960 -0.000 0.000 0.282 133 G C -1.146 173.828 174.900 0.124 0.000 1.281 133 G CA -1.064 44.091 45.100 0.092 0.000 0.877 133 G HN 0.365 nan 8.290 nan 0.000 0.494 134 N N -1.473 117.268 118.700 0.069 0.000 2.489 134 N HA 0.586 5.326 4.740 -0.000 0.000 0.284 134 N C -0.721 174.756 175.510 -0.055 0.000 1.158 134 N CA -0.604 52.470 53.050 0.041 0.000 0.965 134 N CB 2.527 41.032 38.487 0.030 0.000 1.195 134 N HN 0.313 nan 8.380 nan 0.000 0.506 135 V N 2.338 122.154 119.914 -0.164 0.000 2.347 135 V HA 0.322 4.442 4.120 -0.000 0.000 0.280 135 V C -0.305 175.712 176.094 -0.129 0.000 1.021 135 V CA -0.598 61.557 62.300 -0.242 0.000 0.847 135 V CB 0.661 32.166 31.823 -0.530 0.000 0.990 135 V HN 0.440 nan 8.190 nan 0.000 0.444 136 L N 5.716 126.895 121.223 -0.073 0.000 2.296 136 L HA 0.559 4.899 4.340 -0.000 0.000 0.286 136 L C -0.589 176.290 176.870 0.016 0.000 1.023 136 L CA -0.631 54.196 54.840 -0.022 0.000 0.812 136 L CB 1.759 43.813 42.059 -0.007 0.000 1.223 136 L HN 0.414 nan 8.230 nan 0.000 0.421 137 I N 2.885 123.480 120.570 0.042 0.000 2.307 137 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 137 I C -0.067 176.116 176.117 0.110 0.000 1.054 137 I CA -0.075 61.293 61.300 0.113 0.000 1.218 137 I CB 0.874 38.905 38.000 0.051 0.000 1.398 137 I HN 0.552 nan 8.210 nan 0.000 0.475 138 D N 5.392 125.888 120.400 0.160 0.000 2.313 138 D HA 0.193 4.833 4.640 -0.000 0.000 0.239 138 D C 0.681 177.060 176.300 0.131 0.000 1.142 138 D CA -0.050 54.014 54.000 0.106 0.000 0.847 138 D CB 1.410 42.248 40.800 0.064 0.000 1.082 138 D HN 0.581 nan 8.370 nan 0.000 0.480 139 T N -0.472 114.126 114.554 0.073 0.000 3.228 139 T HA 0.038 4.388 4.350 -0.000 0.000 0.278 139 T C 1.482 176.200 174.700 0.030 0.000 1.014 139 T CA 0.010 62.138 62.100 0.046 0.000 0.904 139 T CB -0.216 68.673 68.868 0.034 0.000 1.110 139 T HN 0.225 nan 8.240 nan 0.000 0.541 140 S N 1.067 116.785 115.700 0.029 0.000 2.469 140 S HA -0.079 4.391 4.470 -0.000 0.000 0.238 140 S C 1.783 176.401 174.600 0.030 0.000 0.998 140 S CA 0.344 58.567 58.200 0.039 0.000 0.957 140 S CB -0.747 62.476 63.200 0.039 0.000 0.764 140 S HN 0.412 nan 8.310 nan 0.000 0.514 141 I N 0.532 121.067 120.570 -0.058 0.000 2.315 141 I HA 0.089 4.259 4.170 -0.000 0.000 0.251 141 I C 0.486 176.641 176.117 0.063 0.000 1.125 141 I CA 1.014 62.196 61.300 -0.197 0.000 1.392 141 I CB -0.152 37.588 38.000 -0.433 0.000 1.065 141 I HN 0.380 nan 8.210 nan 0.000 0.424 142 F N -0.808 119.100 119.950 -0.070 0.000 2.598 142 F HA 0.657 5.184 4.527 -0.000 0.000 0.327 142 F C 0.239 176.015 175.800 -0.039 0.000 1.057 142 F CA -0.854 57.105 58.000 -0.067 0.000 0.957 142 F CB 1.496 40.452 39.000 -0.073 0.000 1.278 142 F HN -0.124 nan 8.300 nan 0.000 0.484 143 A N 1.116 124.006 122.820 0.118 0.000 2.583 143 A HA 0.695 5.015 4.320 -0.000 0.000 0.289 143 A C -0.293 177.271 177.584 -0.033 0.000 1.151 143 A CA -0.074 51.989 52.037 0.042 0.000 0.695 143 A CB 1.370 20.389 19.000 0.031 0.000 1.290 143 A HN 0.978 nan 8.150 nan 0.000 0.419 144 S N -1.101 114.562 115.700 -0.063 0.000 3.633 144 S HA -0.139 4.331 4.470 -0.000 0.000 0.637 144 S C -0.098 174.437 174.600 -0.109 0.000 2.289 144 S CA 0.366 58.467 58.200 -0.165 0.000 2.476 144 S CB -1.372 61.760 63.200 -0.115 0.000 0.330 144 S HN 1.353 nan 8.310 nan 0.000 1.787 145 H N 1.416 120.551 119.070 0.109 0.000 2.771 145 H HA 0.161 4.717 4.556 -0.000 0.000 0.364 145 H C 0.748 176.215 175.328 0.232 0.000 1.133 145 H CA 0.277 56.401 56.048 0.126 0.000 1.423 145 H CB 0.186 29.994 29.762 0.076 0.000 1.425 145 H HN 0.536 nan 8.280 nan 0.000 0.606 146 D N 1.491 122.087 120.400 0.327 0.000 2.340 146 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 146 D C -0.014 176.475 176.300 0.314 0.000 1.039 146 D CA 0.645 54.846 54.000 0.334 0.000 0.866 146 D CB 0.558 41.505 40.800 0.245 0.000 0.913 146 D HN 0.364 nan 8.370 nan 0.000 0.523 147 K N 0.477 120.909 120.400 0.053 0.000 2.345 147 K HA 0.598 4.918 4.320 -0.000 0.000 0.255 147 K C -0.460 175.316 176.600 -1.374 0.000 0.934 147 K CA -0.633 55.232 56.287 -0.703 0.000 0.801 147 K CB 2.723 35.025 32.500 -0.330 0.000 1.137 147 K HN -0.147 nan 8.250 nan 0.000 0.424 148 A N 3.848 124.949 122.820 -2.865 0.000 2.425 148 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 148 A C -2.247 174.453 177.584 -1.473 0.000 1.077 148 A CA -1.065 49.322 52.037 -2.751 0.000 0.781 148 A CB -0.446 16.937 19.000 -2.695 0.000 1.020 148 A HN 0.397 nan 8.150 nan 0.000 0.494 149 P HA 0.289 nan 4.420 nan 0.000 0.265 149 P C 0.904 177.734 177.300 -0.783 0.000 1.193 149 P CA 1.626 64.385 63.100 -0.569 0.000 0.765 149 P CB 0.637 32.192 31.700 -0.242 0.000 0.823 150 G N 0.527 108.831 108.800 -0.826 0.000 2.175 150 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 150 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 150 G C -0.483 174.321 174.900 -0.160 0.000 0.982 150 G CA -0.663 43.923 45.100 -0.857 0.000 0.641 150 G HN 0.323 nan 8.290 nan 0.000 0.527 151 W N 1.751 122.833 121.300 -0.363 0.000 2.253 151 W HA 0.553 5.213 4.660 -0.000 0.000 0.322 151 W C -1.815 174.615 176.519 -0.147 0.000 1.342 151 W CA -2.471 54.728 57.345 -0.243 0.000 1.218 151 W CB -0.368 28.938 29.460 -0.257 0.000 1.205 151 W HN 0.023 nan 8.180 nan 0.000 0.551 152 P HA -0.106 nan 4.420 nan 0.000 0.267 152 P C 1.270 178.566 177.300 -0.007 0.000 1.205 152 P CA -0.114 62.992 63.100 0.009 0.000 0.765 152 P CB 0.300 31.952 31.700 -0.081 0.000 0.828 153 W N 5.595 126.896 121.300 0.003 0.000 2.342 153 W HA -0.254 4.406 4.660 -0.000 0.000 0.297 153 W C 0.631 177.143 176.519 -0.012 0.000 1.213 153 W CA 1.648 58.989 57.345 -0.006 0.000 1.251 153 W CB -1.577 27.872 29.460 -0.018 0.000 1.136 153 W HN 0.404 nan 8.180 nan 0.000 0.526 154 N N 0.411 118.228 118.700 -1.471 0.000 2.453 154 N HA -0.173 4.567 4.740 -0.000 0.000 0.183 154 N C 0.854 175.963 175.510 -0.668 0.000 1.041 154 N CA 1.607 53.694 53.050 -1.606 0.000 0.900 154 N CB -0.598 37.078 38.487 -1.351 0.000 0.961 154 N HN -0.048 nan 8.380 nan 0.000 0.443 155 D N 0.484 120.617 120.400 -0.445 0.000 2.339 155 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 155 D C 1.824 177.893 176.300 -0.385 0.000 1.050 155 D CA 0.223 53.997 54.000 -0.377 0.000 0.856 155 D CB -0.076 40.517 40.800 -0.345 0.000 0.922 155 D HN 0.602 nan 8.370 nan 0.000 0.518 156 M N -0.159 119.313 119.600 -0.212 0.000 2.296 156 M HA -0.073 4.406 4.480 -0.000 0.000 0.265 156 M C 1.643 177.908 176.300 -0.057 0.000 1.064 156 M CA 1.442 56.694 55.300 -0.079 0.000 1.109 156 M CB -0.781 31.859 32.600 0.067 0.000 1.396 156 M HN -0.158 nan 8.290 nan 0.000 0.430 157 T N -2.316 112.211 114.554 -0.044 0.000 3.129 157 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 157 T C 0.773 175.476 174.700 0.005 0.000 1.117 157 T CA -0.134 62.006 62.100 0.067 0.000 1.034 157 T CB -0.090 68.861 68.868 0.138 0.000 0.968 157 T HN 0.452 nan 8.240 nan 0.000 0.526 158 Q N 0.179 119.859 119.800 -0.201 0.000 2.259 158 Q HA 0.287 4.627 4.340 -0.000 0.000 0.249 158 Q C 0.958 176.747 176.000 -0.352 0.000 0.914 158 Q CA -0.354 55.278 55.803 -0.286 0.000 0.904 158 Q CB 1.391 29.853 28.738 -0.461 0.000 1.213 158 Q HN 0.294 nan 8.270 nan 0.000 0.428 159 c N 1.304 119.773 118.600 -0.218 0.000 2.411 159 c HA -0.188 4.382 4.570 -0.000 0.000 0.279 159 c C 2.321 176.326 174.090 -0.141 0.000 1.288 159 c CA 0.739 56.971 56.329 -0.161 0.000 1.764 159 c CB -1.351 41.086 42.510 -0.123 0.000 1.974 159 c HN 0.936 nan 8.230 nan 0.000 0.498 160 F N 0.891 120.762 119.950 -0.132 0.000 2.451 160 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 160 F C 1.879 177.555 175.800 -0.206 0.000 1.101 160 F CA 1.366 59.276 58.000 -0.150 0.000 1.436 160 F CB -0.654 38.250 39.000 -0.161 0.000 1.074 160 F HN 0.115 nan 8.300 nan 0.000 0.553 161 S N 0.276 115.465 115.700 -0.852 0.000 2.651 161 S HA 0.616 5.086 4.470 -0.000 0.000 0.246 161 S C 0.525 174.916 174.600 -0.348 0.000 1.039 161 S CA -0.254 57.494 58.200 -0.753 0.000 1.013 161 S CB -1.056 61.510 63.200 -1.058 0.000 0.861 161 S HN 0.535 nan 8.310 nan 0.000 0.485 162 A N 2.880 125.589 122.820 -0.186 0.000 2.520 162 A HA 0.445 4.765 4.320 -0.000 0.000 0.245 162 A C -2.486 175.176 177.584 0.129 0.000 1.072 162 A CA -0.853 51.170 52.037 -0.025 0.000 0.761 162 A CB -0.368 18.623 19.000 -0.014 0.000 1.004 162 A HN 0.374 nan 8.150 nan 0.000 0.499 163 P HA 0.078 nan 4.420 nan 0.000 0.260 163 P C -2.313 175.158 177.300 0.284 0.000 1.185 163 P CA -0.420 62.869 63.100 0.315 0.000 0.763 163 P CB 0.119 31.956 31.700 0.228 0.000 0.776 164 P HA 0.142 nan 4.420 nan 0.000 0.225 164 P C -0.240 177.259 177.300 0.333 0.000 1.813 164 P CA 0.001 63.303 63.100 0.336 0.000 1.013 164 P CB -0.076 31.881 31.700 0.428 0.000 1.961 165 A N 2.294 125.269 122.820 0.259 0.000 2.327 165 A HA 0.496 4.816 4.320 -0.000 0.000 0.255 165 A C 1.808 179.530 177.584 0.229 0.000 1.099 165 A CA 0.185 52.375 52.037 0.254 0.000 0.801 165 A CB 0.023 19.108 19.000 0.143 0.000 1.062 165 A HN 0.335 nan 8.150 nan 0.000 0.496 166 A N 0.092 123.012 122.820 0.166 0.000 1.940 166 A HA 0.292 4.612 4.320 -0.000 0.000 0.219 166 A C 1.395 178.964 177.584 -0.024 0.000 1.176 166 A CA 1.777 53.746 52.037 -0.114 0.000 0.631 166 A CB -0.743 18.156 19.000 -0.168 0.000 0.814 166 A HN 1.907 nan 8.150 nan 0.000 0.446 167 A N 0.009 122.773 122.820 -0.094 0.000 2.280 167 A HA 0.638 4.958 4.320 -0.000 0.000 0.320 167 A C -0.428 177.095 177.584 -0.102 0.000 1.366 167 A CA -0.314 51.527 52.037 -0.327 0.000 0.938 167 A CB -0.157 18.438 19.000 -0.675 0.000 1.157 167 A HN 0.328 nan 8.150 nan 0.000 0.536 168 I N 2.751 123.340 120.570 0.031 0.000 2.498 168 I HA 0.485 4.655 4.170 -0.000 0.000 0.290 168 I C -0.957 175.258 176.117 0.163 0.000 1.032 168 I CA -0.867 60.490 61.300 0.095 0.000 1.073 168 I CB 2.389 40.433 38.000 0.074 0.000 1.251 168 I HN 0.275 nan 8.210 nan 0.000 0.426 169 V N 4.249 124.294 119.914 0.218 0.000 2.569 169 V HA 0.293 4.413 4.120 -0.000 0.000 0.301 169 V C -0.548 175.708 176.094 0.270 0.000 1.044 169 V CA -0.736 61.713 62.300 0.248 0.000 0.874 169 V CB 1.677 33.662 31.823 0.270 0.000 1.002 169 V HN 0.832 nan 8.190 nan 0.000 0.424 170 D N 4.291 124.804 120.400 0.188 0.000 2.686 170 D HA -0.208 4.432 4.640 -0.000 0.000 0.235 170 D C 1.120 177.515 176.300 0.159 0.000 1.160 170 D CA 1.144 55.249 54.000 0.175 0.000 0.645 170 D CB -0.479 40.458 40.800 0.229 0.000 1.039 170 D HN 0.888 nan 8.370 nan 0.000 0.423 171 R N -1.497 119.071 120.500 0.114 0.000 3.989 171 R HA -0.272 4.068 4.340 -0.000 0.000 0.377 171 R C 0.110 176.447 176.300 0.061 0.000 1.158 171 R CA 0.879 57.023 56.100 0.073 0.000 1.035 171 R CB -1.616 28.715 30.300 0.053 0.000 1.557 171 R HN 0.320 nan 8.270 nan 0.000 0.551 172 N N -1.470 117.277 118.700 0.078 0.000 2.740 172 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 172 N C -0.825 174.658 175.510 -0.045 0.000 1.062 172 N CA 1.503 54.535 53.050 -0.030 0.000 0.704 172 N CB -1.322 37.154 38.487 -0.017 0.000 0.968 172 N HN 0.514 nan 8.380 nan 0.000 0.547 173 c N 0.994 119.599 118.600 0.007 0.000 2.609 173 c HA 0.865 5.435 4.570 -0.000 0.000 0.313 173 c C -0.737 173.339 174.090 -0.023 0.000 1.175 173 c CA -0.903 55.392 56.329 -0.058 0.000 1.434 173 c CB 0.282 42.752 42.510 -0.067 0.000 2.005 173 c HN 0.331 nan 8.230 nan 0.000 0.471 174 F N 3.384 123.114 119.950 -0.367 0.000 2.650 174 F HA 0.908 5.434 4.527 -0.000 0.000 0.320 174 F C -0.392 175.088 175.800 -0.534 0.000 1.091 174 F CA -0.413 57.130 58.000 -0.762 0.000 0.962 174 F CB 1.267 39.469 39.000 -1.331 0.000 1.363 174 F HN 0.645 nan 8.300 nan 0.000 0.482 175 S N 0.759 116.236 115.700 -0.372 0.000 2.632 175 S HA 0.915 5.385 4.470 -0.000 0.000 0.289 175 S C -1.769 172.815 174.600 -0.026 0.000 1.115 175 S CA -0.703 57.331 58.200 -0.276 0.000 0.889 175 S CB 1.824 64.948 63.200 -0.126 0.000 1.116 175 S HN 0.987 nan 8.310 nan 0.000 0.486 176 V N 0.556 120.410 119.914 -0.099 0.000 3.147 176 V HA 0.718 4.837 4.120 -0.000 0.000 0.306 176 V C -0.890 175.180 176.094 -0.040 0.000 1.209 176 V CA -0.542 61.773 62.300 0.025 0.000 1.023 176 V CB 2.689 34.568 31.823 0.092 0.000 1.059 176 V HN 1.046 nan 8.190 nan 0.000 0.435 177 S N 2.963 118.672 115.700 0.014 0.000 2.478 177 S HA 0.684 5.154 4.470 -0.000 0.000 0.312 177 S C -1.030 173.519 174.600 -0.086 0.000 1.094 177 S CA -0.321 57.824 58.200 -0.092 0.000 1.081 177 S CB 1.344 64.499 63.200 -0.075 0.000 1.007 177 S HN 0.544 nan 8.310 nan 0.000 0.475 178 L N 4.831 125.933 121.223 -0.202 0.000 2.287 178 L HA 0.590 4.930 4.340 -0.000 0.000 0.287 178 L C -1.808 174.848 176.870 -0.357 0.000 1.022 178 L CA -0.276 54.469 54.840 -0.159 0.000 0.814 178 L CB 0.317 42.331 42.059 -0.074 0.000 1.217 178 L HN 0.574 nan 8.230 nan 0.000 0.420 179 Y N 2.687 122.705 120.300 -0.469 0.000 2.341 179 Y HA 0.505 5.055 4.550 -0.000 0.000 0.337 179 Y C 0.754 176.333 175.900 -0.534 0.000 1.014 179 Y CA -0.532 57.192 58.100 -0.627 0.000 1.111 179 Y CB 1.669 39.364 38.460 -1.276 0.000 1.194 179 Y HN 0.712 nan 8.280 nan 0.000 0.462 180 S N 1.623 117.251 115.700 -0.120 0.000 2.585 180 S HA 0.627 5.097 4.470 -0.000 0.000 0.273 180 S C 0.194 174.849 174.600 0.091 0.000 1.339 180 S CA -0.903 57.287 58.200 -0.016 0.000 1.028 180 S CB 0.982 64.186 63.200 0.008 0.000 0.906 180 S HN 0.819 nan 8.310 nan 0.000 0.528 181 A N 2.732 125.655 122.820 0.172 0.000 2.388 181 A HA 0.514 4.834 4.320 -0.000 0.000 0.257 181 A C -1.150 176.539 177.584 0.174 0.000 1.095 181 A CA -1.613 50.583 52.037 0.266 0.000 0.791 181 A CB -0.528 18.604 19.000 0.220 0.000 1.029 181 A HN 0.681 nan 8.150 nan 0.000 0.489 182 P HA -0.136 nan 4.420 nan 0.000 0.216 182 P C -0.048 177.298 177.300 0.077 0.000 1.153 182 P CA 1.384 64.549 63.100 0.108 0.000 0.858 182 P CB 0.122 31.876 31.700 0.090 0.000 0.789 183 K N -0.087 120.357 120.400 0.073 0.000 2.234 183 K HA 0.322 4.642 4.320 -0.000 0.000 0.277 183 K C -2.517 174.118 176.600 0.059 0.000 1.038 183 K CA -2.353 53.968 56.287 0.055 0.000 0.888 183 K CB 0.679 33.205 32.500 0.043 0.000 1.091 183 K HN -0.056 nan 8.250 nan 0.000 0.467 184 P HA -0.110 nan 4.420 nan 0.000 0.265 184 P C 0.788 178.115 177.300 0.044 0.000 1.187 184 P CA 1.003 64.131 63.100 0.045 0.000 0.766 184 P CB 0.535 32.256 31.700 0.035 0.000 0.820 185 G N 1.636 110.464 108.800 0.047 0.000 2.268 185 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.240 185 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.240 185 G C 0.096 175.028 174.900 0.054 0.000 1.010 185 G CA -0.152 44.974 45.100 0.045 0.000 0.618 185 G HN 0.516 nan 8.290 nan 0.000 0.516 186 D N 0.584 121.022 120.400 0.063 0.000 2.339 186 D HA 0.414 5.054 4.640 -0.000 0.000 0.245 186 D C 0.985 177.346 176.300 0.102 0.000 1.115 186 D CA -0.297 53.749 54.000 0.077 0.000 0.917 186 D CB 0.644 41.493 40.800 0.082 0.000 1.192 186 D HN 0.311 nan 8.370 nan 0.000 0.428 187 M N 1.828 121.496 119.600 0.114 0.000 2.268 187 M HA 0.192 4.672 4.480 -0.000 0.000 0.349 187 M C -0.258 176.166 176.300 0.206 0.000 1.485 187 M CA -0.362 55.020 55.300 0.138 0.000 1.094 187 M CB 0.328 33.007 32.600 0.131 0.000 1.843 187 M HN 0.378 nan 8.290 nan 0.000 0.460 188 A N 5.959 128.880 122.820 0.169 0.000 2.483 188 A HA 0.404 4.724 4.320 -0.000 0.000 0.238 188 A C -0.621 177.098 177.584 0.225 0.000 1.070 188 A CA -0.172 51.959 52.037 0.156 0.000 0.770 188 A CB -0.119 18.917 19.000 0.061 0.000 1.008 188 A HN 0.838 nan 8.150 nan 0.000 0.497 189 F N -0.277 119.752 119.950 0.132 0.000 2.561 189 F HA 0.817 5.344 4.527 -0.000 0.000 0.321 189 F C -0.775 175.135 175.800 0.183 0.000 1.065 189 F CA -1.600 56.474 58.000 0.122 0.000 0.934 189 F CB 1.200 40.237 39.000 0.062 0.000 1.215 189 F HN 0.330 nan 8.300 nan 0.000 0.471 190 I N 3.061 123.812 120.570 0.302 0.000 2.378 190 I HA 0.489 4.659 4.170 -0.000 0.000 0.291 190 I C -0.407 175.856 176.117 0.245 0.000 0.992 190 I CA -0.764 60.668 61.300 0.221 0.000 1.154 190 I CB 1.744 39.845 38.000 0.169 0.000 1.315 190 I HN 0.611 nan 8.210 nan 0.000 0.448 191 R N 4.854 125.512 120.500 0.263 0.000 2.460 191 R HA 0.767 5.107 4.340 -0.000 0.000 0.303 191 R C -1.231 175.165 176.300 0.159 0.000 0.968 191 R CA -0.800 55.427 56.100 0.212 0.000 0.889 191 R CB 2.749 33.206 30.300 0.261 0.000 1.123 191 R HN 0.416 nan 8.270 nan 0.000 0.455 192 V N 1.768 121.747 119.914 0.109 0.000 2.888 192 V HA 0.610 4.730 4.120 -0.000 0.000 0.309 192 V C -0.674 175.422 176.094 0.002 0.000 1.114 192 V CA -0.663 61.705 62.300 0.115 0.000 0.940 192 V CB 1.961 33.874 31.823 0.151 0.000 1.021 192 V HN 0.966 nan 8.190 nan 0.000 0.426 193 A N 4.110 126.875 122.820 -0.092 0.000 2.531 193 A HA 0.375 4.695 4.320 -0.000 0.000 0.236 193 A C 1.525 178.778 177.584 -0.552 0.000 1.062 193 A CA 0.654 52.381 52.037 -0.518 0.000 0.760 193 A CB 0.283 18.515 19.000 -1.281 0.000 0.995 193 A HN 1.918 nan 8.150 nan 0.000 0.501 194 S N 1.408 116.842 115.700 -0.442 0.000 2.420 194 S HA -0.271 4.199 4.470 -0.000 0.000 0.237 194 S C 1.251 175.658 174.600 -0.321 0.000 1.023 194 S CA 1.909 59.945 58.200 -0.273 0.000 0.991 194 S CB -0.896 62.214 63.200 -0.150 0.000 0.792 194 S HN 1.035 nan 8.310 nan 0.000 0.488 195 Y N -1.116 119.004 120.300 -0.301 0.000 2.471 195 Y HA 0.515 5.065 4.550 -0.000 0.000 0.286 195 Y C -0.209 175.487 175.900 -0.339 0.000 1.188 195 Y CA -1.313 56.547 58.100 -0.400 0.000 1.286 195 Y CB -0.716 37.494 38.460 -0.416 0.000 1.072 195 Y HN 0.093 nan 8.280 nan 0.000 0.517 196 Y N 3.995 124.197 120.300 -0.162 0.000 2.385 196 Y HA 0.373 4.923 4.550 -0.000 0.000 0.341 196 Y C -2.315 173.498 175.900 -0.144 0.000 0.965 196 Y CA -4.281 53.771 58.100 -0.080 0.000 1.180 196 Y CB 1.012 39.419 38.460 -0.088 0.000 1.139 196 Y HN 0.003 nan 8.280 nan 0.000 0.502 197 P HA 0.103 nan 4.420 nan 0.000 0.237 197 P C -0.642 176.683 177.300 0.043 0.000 1.788 197 P CA 0.193 63.274 63.100 -0.031 0.000 1.061 197 P CB -0.010 31.618 31.700 -0.120 0.000 1.967 198 V N -0.678 119.213 119.914 -0.038 0.000 3.141 198 V HA 0.775 4.895 4.120 -0.000 0.000 0.312 198 V C -0.444 175.626 176.094 -0.040 0.000 1.157 198 V CA -0.799 61.458 62.300 -0.071 0.000 1.041 198 V CB 2.038 33.594 31.823 -0.445 0.000 1.071 198 V HN 0.073 nan 8.190 nan 0.000 0.441 199 T N 4.705 119.269 114.554 0.016 0.000 2.833 199 T HA 0.611 4.961 4.350 -0.000 0.000 0.297 199 T C -0.453 174.169 174.700 -0.130 0.000 1.015 199 T CA -0.366 61.674 62.100 -0.101 0.000 0.963 199 T CB 0.962 69.795 68.868 -0.059 0.000 0.955 199 T HN 0.644 nan 8.240 nan 0.000 0.449 200 M N 3.802 123.259 119.600 -0.238 0.000 2.300 200 M HA 0.550 5.030 4.480 -0.000 0.000 0.348 200 M C -0.954 175.116 176.300 -0.383 0.000 1.151 200 M CA -0.729 54.499 55.300 -0.120 0.000 1.046 200 M CB 0.596 33.208 32.600 0.021 0.000 1.647 200 M HN 0.481 nan 8.290 nan 0.000 0.451 201 F N 0.202 120.226 119.950 0.123 0.000 2.551 201 F HA 0.475 5.002 4.527 -0.000 0.000 0.316 201 F C 0.389 176.249 175.800 0.100 0.000 1.089 201 F CA -0.745 57.313 58.000 0.097 0.000 0.915 201 F CB 2.079 41.122 39.000 0.072 0.000 1.186 201 F HN 0.501 nan 8.300 nan 0.000 0.456 202 S N 1.772 117.642 115.700 0.283 0.000 2.449 202 S HA 0.386 4.856 4.470 -0.000 0.000 0.310 202 S C -0.418 174.286 174.600 0.173 0.000 1.096 202 S CA -0.410 57.913 58.200 0.205 0.000 1.095 202 S CB 1.083 64.394 63.200 0.186 0.000 1.007 202 S HN 0.784 nan 8.310 nan 0.000 0.474 203 Q N 3.117 122.998 119.800 0.135 0.000 2.155 203 Q HA 0.308 4.647 4.340 -0.000 0.000 0.273 203 Q C -0.947 175.104 176.000 0.086 0.000 0.857 203 Q CA -0.208 55.654 55.803 0.098 0.000 1.116 203 Q CB 1.225 30.006 28.738 0.072 0.000 1.209 203 Q HN 0.529 nan 8.270 nan 0.000 0.460 204 V N 1.364 121.336 119.914 0.097 0.000 2.406 204 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 204 V C 0.241 176.382 176.094 0.079 0.000 1.043 204 V CA -0.319 62.031 62.300 0.083 0.000 0.915 204 V CB 1.241 33.114 31.823 0.082 0.000 0.988 204 V HN 0.253 nan 8.190 nan 0.000 0.466 205 R N 2.679 123.218 120.500 0.065 0.000 2.254 205 R HA 0.378 4.718 4.340 -0.000 0.000 0.318 205 R C -0.186 176.147 176.300 0.056 0.000 1.031 205 R CA -0.360 55.776 56.100 0.061 0.000 0.905 205 R CB 1.073 31.404 30.300 0.051 0.000 1.050 205 R HN 0.733 nan 8.270 nan 0.000 0.456 206 T N 5.304 119.895 114.554 0.061 0.000 2.814 206 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 206 T C 0.210 174.936 174.700 0.043 0.000 0.956 206 T CA -0.173 61.959 62.100 0.053 0.000 1.123 206 T CB 0.404 69.314 68.868 0.069 0.000 0.902 206 T HN 0.303 nan 8.240 nan 0.000 0.528 207 L N 6.015 127.258 121.223 0.033 0.000 2.325 207 L HA 0.405 4.745 4.340 -0.000 0.000 0.279 207 L C -2.021 174.863 176.870 0.024 0.000 1.054 207 L CA -2.594 52.262 54.840 0.027 0.000 0.804 207 L CB 1.286 43.357 42.059 0.021 0.000 1.200 207 L HN 0.342 nan 8.230 nan 0.000 0.436 208 P HA 0.064 nan 4.420 nan 0.000 0.268 208 P C -0.650 176.658 177.300 0.014 0.000 1.205 208 P CA -0.199 62.912 63.100 0.020 0.000 0.771 208 P CB 0.370 32.081 31.700 0.019 0.000 0.858 209 R N 1.889 122.396 120.500 0.011 0.000 2.583 209 R HA 0.188 4.528 4.340 -0.000 0.000 0.274 209 R C 1.432 177.735 176.300 0.004 0.000 0.998 209 R CA 1.318 57.421 56.100 0.005 0.000 1.081 209 R CB -0.655 29.648 30.300 0.004 0.000 0.940 209 R HN 0.907 nan 8.270 nan 0.000 0.413 210 G N 1.562 110.361 108.800 -0.000 0.000 2.162 210 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 210 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 210 G C 0.261 175.162 174.900 0.001 0.000 0.976 210 G CA 0.459 45.558 45.100 -0.001 0.000 0.655 210 G HN 0.636 nan 8.290 nan 0.000 0.533 211 S N 0.085 115.788 115.700 0.004 0.000 2.558 211 S HA 0.479 4.949 4.470 -0.000 0.000 0.288 211 S C 1.920 176.525 174.600 0.008 0.000 1.318 211 S CA 0.750 58.955 58.200 0.009 0.000 1.056 211 S CB 0.766 63.974 63.200 0.014 0.000 0.853 211 S HN 1.624 nan 8.310 nan 0.000 0.505 212 A N 4.219 127.047 122.820 0.014 0.000 2.019 212 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 212 A C 1.867 179.467 177.584 0.027 0.000 1.164 212 A CA 1.481 53.530 52.037 0.019 0.000 0.644 212 A CB -0.532 18.484 19.000 0.027 0.000 0.805 212 A HN 0.959 nan 8.150 nan 0.000 0.449 213 E N -0.237 119.981 120.200 0.030 0.000 2.338 213 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 213 E C 2.037 178.652 176.600 0.026 0.000 1.007 213 E CA 0.629 57.053 56.400 0.040 0.000 0.849 213 E CB -0.207 29.516 29.700 0.038 0.000 0.774 213 E HN 0.663 nan 8.360 nan 0.000 0.506 214 A N 1.058 123.879 122.820 0.000 0.000 2.066 214 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 214 A C 2.062 179.610 177.584 -0.060 0.000 1.157 214 A CA 0.895 52.922 52.037 -0.018 0.000 0.670 214 A CB -0.226 18.760 19.000 -0.022 0.000 0.804 214 A HN 0.184 nan 8.150 nan 0.000 0.453 215 Q N -1.527 118.209 119.800 -0.107 0.000 2.046 215 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 215 Q C 0.924 176.694 176.000 -0.383 0.000 0.975 215 Q CA 1.723 57.353 55.803 -0.289 0.000 0.836 215 Q CB -0.102 28.401 28.738 -0.391 0.000 0.896 215 Q HN 0.804 nan 8.270 nan 0.000 0.428 216 Y N -1.556 118.751 120.300 0.012 0.000 2.481 216 Y HA 0.213 4.763 4.550 -0.000 0.000 0.247 216 Y C 0.159 176.070 175.900 0.018 0.000 1.151 216 Y CA -0.952 57.157 58.100 0.015 0.000 1.238 216 Y CB 1.050 39.518 38.460 0.014 0.000 1.179 216 Y HN 0.118 nan 8.280 nan 0.000 0.524 217 c N 3.124 121.797 118.600 0.122 0.000 2.373 217 c HA 0.263 4.833 4.570 -0.000 0.000 0.354 217 c C 0.305 174.438 174.090 0.071 0.000 1.249 217 c CA -0.555 55.828 56.329 0.091 0.000 1.784 217 c CB -0.939 41.610 42.510 0.065 0.000 2.408 217 c HN 0.255 nan 8.230 nan 0.000 0.542 218 E N 3.215 123.462 120.200 0.079 0.000 2.349 218 E HA 0.255 4.605 4.350 -0.000 0.000 0.262 218 E C -0.608 176.028 176.600 0.060 0.000 1.088 218 E CA -0.459 55.983 56.400 0.069 0.000 0.899 218 E CB 1.304 31.053 29.700 0.082 0.000 1.044 218 E HN 0.639 nan 8.360 nan 0.000 0.420 219 L N 2.789 124.044 121.223 0.054 0.000 2.265 219 L HA 0.319 4.659 4.340 -0.000 0.000 0.289 219 L C -0.912 176.003 176.870 0.076 0.000 1.033 219 L CA -0.035 54.841 54.840 0.060 0.000 0.814 219 L CB 0.667 42.755 42.059 0.047 0.000 1.203 219 L HN 0.227 nan 8.230 nan 0.000 0.423 220 D N 3.190 123.640 120.400 0.084 0.000 2.527 220 D HA 0.414 5.054 4.640 -0.000 0.000 0.233 220 D C -1.160 175.189 176.300 0.080 0.000 1.063 220 D CA -0.215 53.839 54.000 0.091 0.000 0.880 220 D CB 2.964 43.823 40.800 0.098 0.000 1.457 220 D HN 0.318 nan 8.370 nan 0.000 0.475 221 V N 1.346 121.297 119.914 0.062 0.000 2.459 221 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 221 V C -1.046 175.072 176.094 0.039 0.000 1.029 221 V CA -0.360 61.926 62.300 -0.023 0.000 0.874 221 V CB 1.564 33.217 31.823 -0.284 0.000 0.985 221 V HN 0.292 nan 8.190 nan 0.000 0.438 222 V N 9.280 129.217 119.914 0.037 0.000 2.357 222 V HA 0.443 4.563 4.120 -0.000 0.000 0.281 222 V C -2.298 173.774 176.094 -0.036 0.000 1.015 222 V CA -1.465 60.856 62.300 0.035 0.000 0.827 222 V CB 1.656 33.498 31.823 0.032 0.000 1.018 222 V HN 0.842 nan 8.190 nan 0.000 0.432 223 P HA 0.366 nan 4.420 nan 0.000 0.275 223 P C 0.088 177.238 177.300 -0.251 0.000 1.227 223 P CA 0.385 63.255 63.100 -0.384 0.000 0.781 223 P CB 1.814 33.295 31.700 -0.365 0.000 0.906 224 G N 1.453 110.078 108.800 -0.291 0.000 3.013 224 G HA2 0.340 4.300 3.960 -0.000 0.000 0.278 224 G HA3 0.340 4.300 3.960 -0.000 0.000 0.278 224 G C -0.939 173.873 174.900 -0.147 0.000 1.353 224 G CA -0.587 44.421 45.100 -0.153 0.000 1.043 224 G HN 0.331 nan 8.290 nan 0.000 0.523 225 D N -0.026 120.328 120.400 -0.076 0.000 2.400 225 D HA 0.181 4.821 4.640 -0.000 0.000 0.238 225 D C 1.135 177.417 176.300 -0.031 0.000 1.157 225 D CA 0.451 54.423 54.000 -0.048 0.000 0.889 225 D CB 0.909 41.697 40.800 -0.020 0.000 1.199 225 D HN 0.390 nan 8.370 nan 0.000 0.436 226 L N 1.665 122.881 121.223 -0.013 0.000 3.608 226 L HA -0.315 4.024 4.340 -0.000 0.000 0.422 226 L C -0.097 176.789 176.870 0.027 0.000 1.260 226 L CA -0.112 54.741 54.840 0.021 0.000 0.889 226 L CB -1.563 40.520 42.059 0.039 0.000 1.821 226 L HN 0.568 nan 8.230 nan 0.000 0.884 227 N N -0.851 117.837 118.700 -0.019 0.000 2.735 227 N HA -0.173 4.566 4.740 -0.000 0.000 0.248 227 N C 0.385 175.912 175.510 0.028 0.000 1.083 227 N CA 1.242 54.298 53.050 0.009 0.000 0.703 227 N CB -0.480 38.098 38.487 0.152 0.000 1.005 227 N HN 0.515 nan 8.380 nan 0.000 0.550 228 R N -0.394 120.057 120.500 -0.081 0.000 2.357 228 R HA 0.542 4.882 4.340 -0.000 0.000 0.296 228 R C -0.248 175.961 176.300 -0.152 0.000 1.052 228 R CA 0.146 56.273 56.100 0.045 0.000 0.988 228 R CB 0.490 30.876 30.300 0.145 0.000 1.025 228 R HN 0.032 nan 8.270 nan 0.000 0.469 229 F N 0.032 120.045 119.950 0.104 0.000 2.556 229 F HA 0.392 4.919 4.527 -0.000 0.000 0.314 229 F C -0.058 175.814 175.800 0.119 0.000 1.106 229 F CA -0.623 57.403 58.000 0.044 0.000 0.911 229 F CB 2.499 41.469 39.000 -0.052 0.000 1.190 229 F HN 0.284 nan 8.300 nan 0.000 0.448 230 T N 4.507 119.199 114.554 0.231 0.000 2.792 230 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 230 T C -0.838 173.941 174.700 0.132 0.000 0.990 230 T CA -0.512 61.717 62.100 0.216 0.000 0.960 230 T CB 1.086 70.040 68.868 0.143 0.000 0.939 230 T HN 0.115 nan 8.240 nan 0.000 0.439 231 L N 4.294 125.601 121.223 0.140 0.000 2.292 231 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 231 L C 0.940 177.871 176.870 0.101 0.000 1.065 231 L CA 0.013 54.916 54.840 0.105 0.000 0.806 231 L CB 0.962 43.095 42.059 0.122 0.000 1.175 231 L HN 0.898 nan 8.230 nan 0.000 0.431 232 T N -0.427 114.177 114.554 0.083 0.000 2.887 232 T HA 0.929 5.279 4.350 -0.000 0.000 0.292 232 T C 0.140 174.881 174.700 0.069 0.000 1.087 232 T CA -0.131 62.013 62.100 0.073 0.000 1.009 232 T CB 1.989 70.894 68.868 0.062 0.000 1.203 232 T HN 1.105 nan 8.240 nan 0.000 0.518 233 G N -0.190 108.647 108.800 0.062 0.000 2.513 233 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.227 233 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.227 233 G C -0.500 174.433 174.900 0.055 0.000 1.176 233 G CA -0.310 44.825 45.100 0.058 0.000 0.967 233 G HN 1.416 nan 8.290 nan 0.000 0.587 234 c N -0.792 117.838 118.600 0.050 0.000 2.712 234 c HA 0.829 5.399 4.570 -0.000 0.000 0.308 234 c C -0.307 173.802 174.090 0.032 0.000 1.201 234 c CA -0.393 55.961 56.329 0.041 0.000 1.554 234 c CB 0.993 43.526 42.510 0.037 0.000 2.117 234 c HN 1.043 nan 8.230 nan 0.000 0.480 235 L N 3.974 125.213 121.223 0.027 0.000 2.406 235 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 235 L C -2.754 174.122 176.870 0.009 0.000 0.980 235 L CA -1.585 53.263 54.840 0.012 0.000 0.831 235 L CB 1.662 43.725 42.059 0.006 0.000 1.253 235 L HN 0.411 nan 8.230 nan 0.000 0.406 236 P HA 0.085 nan 4.420 nan 0.000 0.268 236 P C -1.093 176.207 177.300 -0.001 0.000 1.205 236 P CA -0.139 62.961 63.100 0.000 0.000 0.771 236 P CB 0.431 32.125 31.700 -0.009 0.000 0.858 237 Q N 2.574 122.379 119.800 0.009 0.000 2.304 237 Q HA -0.033 4.307 4.340 -0.000 0.000 0.315 237 Q C 0.296 176.296 176.000 -0.001 0.000 1.075 237 Q CA 0.926 56.736 55.803 0.012 0.000 0.988 237 Q CB 0.223 28.974 28.738 0.021 0.000 1.146 237 Q HN 0.403 nan 8.270 nan 0.000 0.383 238 R N 0.099 120.595 120.500 -0.006 0.000 2.707 238 R HA 0.362 4.702 4.340 -0.000 0.000 0.272 238 R C 0.218 176.512 176.300 -0.011 0.000 1.011 238 R CA -0.297 55.791 56.100 -0.020 0.000 0.893 238 R CB 0.824 31.096 30.300 -0.046 0.000 1.233 238 R HN 0.615 nan 8.270 nan 0.000 0.464 239 S N -0.116 115.577 115.700 -0.012 0.000 2.425 239 S HA 0.037 4.507 4.470 -0.000 0.000 0.225 239 S C 0.238 174.837 174.600 -0.002 0.000 1.024 239 S CA 0.284 58.486 58.200 0.005 0.000 0.951 239 S CB -0.056 63.146 63.200 0.004 0.000 0.796 239 S HN 0.618 nan 8.310 nan 0.000 0.498 240 E N 2.291 122.464 120.200 -0.045 0.000 2.212 240 E HA 0.502 4.851 4.350 -0.000 0.000 0.270 240 E C -2.780 173.697 176.600 -0.205 0.000 0.956 240 E CA -2.809 53.538 56.400 -0.089 0.000 0.825 240 E CB 0.899 30.548 29.700 -0.084 0.000 1.167 240 E HN 0.210 nan 8.360 nan 0.000 0.400 241 P HA 0.007 nan 4.420 nan 0.000 0.268 241 P C -0.222 176.849 177.300 -0.382 0.000 1.208 241 P CA -0.438 62.258 63.100 -0.674 0.000 0.777 241 P CB 0.579 31.540 31.700 -1.232 0.000 0.875 242 L N 4.841 125.866 121.223 -0.329 0.000 2.260 242 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 242 L C -2.309 174.426 176.870 -0.224 0.000 1.057 242 L CA -2.305 52.404 54.840 -0.219 0.000 0.811 242 L CB 0.500 42.464 42.059 -0.158 0.000 1.184 242 L HN 0.219 nan 8.230 nan 0.000 0.429 243 P HA 0.311 nan 4.420 nan 0.000 0.286 243 P C -1.371 175.780 177.300 -0.248 0.000 1.269 243 P CA -0.229 62.751 63.100 -0.201 0.000 0.787 243 P CB 1.217 32.820 31.700 -0.163 0.000 0.920 244 L N 2.261 123.281 121.223 -0.338 0.000 2.422 244 L HA 0.772 5.112 4.340 -0.000 0.000 0.264 244 L C -0.194 176.186 176.870 -0.818 0.000 0.984 244 L CA -0.933 53.553 54.840 -0.589 0.000 0.819 244 L CB 2.375 44.035 42.059 -0.665 0.000 1.330 244 L HN 0.342 nan 8.230 nan 0.000 0.410 245 A N 2.360 124.613 122.820 -0.944 0.000 2.343 245 A HA 0.907 5.227 4.320 -0.000 0.000 0.316 245 A C -1.420 175.475 177.584 -1.148 0.000 1.104 245 A CA -0.272 51.223 52.037 -0.903 0.000 0.768 245 A CB 0.812 19.516 19.000 -0.493 0.000 1.213 245 A HN 0.438 nan 8.150 nan 0.000 0.456 246 F N 0.738 120.136 119.950 -0.919 0.000 2.577 246 F HA 0.711 5.238 4.527 -0.000 0.000 0.318 246 F C 0.651 176.036 175.800 -0.692 0.000 1.065 246 F CA -0.767 56.726 58.000 -0.845 0.000 0.929 246 F CB 2.125 40.460 39.000 -1.108 0.000 1.237 246 F HN 0.703 nan 8.300 nan 0.000 0.468 247 A N 1.339 124.116 122.820 -0.072 0.000 2.331 247 A HA 0.601 4.921 4.320 -0.000 0.000 0.283 247 A C -0.571 177.163 177.584 0.249 0.000 1.142 247 A CA -0.578 51.469 52.037 0.017 0.000 0.812 247 A CB 0.321 19.322 19.000 0.001 0.000 1.074 247 A HN 0.569 nan 8.150 nan 0.000 0.497 248 V N 3.665 123.684 119.914 0.174 0.000 2.529 248 V HA -0.008 4.112 4.120 -0.000 0.000 0.292 248 V C 1.007 177.182 176.094 0.134 0.000 1.028 248 V CA 0.223 62.608 62.300 0.142 0.000 1.074 248 V CB 0.880 32.480 31.823 -0.372 0.000 0.958 248 V HN 1.021 nan 8.190 nan 0.000 0.481 249 Q N 2.146 122.041 119.800 0.158 0.000 2.302 249 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 249 Q C 0.568 176.600 176.000 0.052 0.000 0.936 249 Q CA 0.564 56.412 55.803 0.074 0.000 0.886 249 Q CB 0.148 28.879 28.738 -0.012 0.000 0.986 249 Q HN 0.815 nan 8.270 nan 0.000 0.487 250 D N -0.179 120.248 120.400 0.045 0.000 2.412 250 D HA 0.232 4.872 4.640 -0.000 0.000 0.276 250 D C 0.957 177.294 176.300 0.062 0.000 1.196 250 D CA -0.306 53.724 54.000 0.050 0.000 0.905 250 D CB 0.505 41.330 40.800 0.041 0.000 1.081 250 D HN 0.090 nan 8.370 nan 0.000 0.502 251 G N 1.996 110.824 108.800 0.047 0.000 2.440 251 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 251 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 251 G C 1.448 176.342 174.900 -0.010 0.000 1.154 251 G CA 1.060 46.182 45.100 0.037 0.000 0.767 251 G HN 0.545 nan 8.290 nan 0.000 0.552 252 A N 0.668 123.459 122.820 -0.049 0.000 1.883 252 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 252 A C 2.725 180.280 177.584 -0.048 0.000 1.186 252 A CA 2.384 54.356 52.037 -0.108 0.000 0.624 252 A CB -0.715 18.251 19.000 -0.056 0.000 0.822 252 A HN 0.325 nan 8.150 nan 0.000 0.444 253 S N -1.983 113.732 115.700 0.025 0.000 2.368 253 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 253 S C 1.841 176.495 174.600 0.090 0.000 1.029 253 S CA 1.396 59.628 58.200 0.053 0.000 0.988 253 S CB -0.519 62.722 63.200 0.069 0.000 0.838 253 S HN 0.662 nan 8.310 nan 0.000 0.462 254 Y N 2.340 122.627 120.300 -0.021 0.000 2.114 254 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 254 Y C 2.466 178.360 175.900 -0.010 0.000 1.143 254 Y CA 1.141 59.240 58.100 -0.003 0.000 1.135 254 Y CB -0.871 37.598 38.460 0.015 0.000 0.980 254 Y HN 0.210 nan 8.280 nan 0.000 0.499 255 A N 0.013 122.846 122.820 0.021 0.000 1.902 255 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 255 A C 2.503 180.064 177.584 -0.038 0.000 1.181 255 A CA 1.795 53.777 52.037 -0.092 0.000 0.623 255 A CB -1.745 16.999 19.000 -0.425 0.000 0.818 255 A HN 0.605 nan 8.150 nan 0.000 0.443 256 G N -0.422 108.350 108.800 -0.046 0.000 2.446 256 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.217 256 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.217 256 G C 1.768 176.665 174.900 -0.004 0.000 1.168 256 G CA 1.669 46.763 45.100 -0.010 0.000 0.771 256 G HN 0.849 nan 8.290 nan 0.000 0.551 257 A N 0.524 123.338 122.820 -0.011 0.000 1.902 257 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 257 A C 2.422 180.011 177.584 0.009 0.000 1.181 257 A CA 1.311 53.352 52.037 0.006 0.000 0.623 257 A CB -0.334 18.654 19.000 -0.019 0.000 0.818 257 A HN 0.385 nan 8.150 nan 0.000 0.443 258 I N -0.853 119.678 120.570 -0.065 0.000 2.252 258 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 258 I C 2.407 178.578 176.117 0.090 0.000 1.102 258 I CA 1.159 62.450 61.300 -0.015 0.000 1.385 258 I CB -0.209 37.732 38.000 -0.097 0.000 1.064 258 I HN 0.413 nan 8.210 nan 0.000 0.414 259 L N 1.212 122.471 121.223 0.060 0.000 2.046 259 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 259 L C 2.452 179.324 176.870 0.003 0.000 1.077 259 L CA 1.909 56.773 54.840 0.040 0.000 0.747 259 L CB -0.664 41.414 42.059 0.032 0.000 0.896 259 L HN 0.121 nan 8.230 nan 0.000 0.432 260 K N -1.683 118.721 120.400 0.006 0.000 2.057 260 K HA -0.281 4.038 4.320 -0.000 0.000 0.207 260 K C 2.301 179.027 176.600 0.211 0.000 1.049 260 K CA 1.845 58.162 56.287 0.050 0.000 0.931 260 K CB -0.562 32.014 32.500 0.127 0.000 0.714 260 K HN 0.439 nan 8.250 nan 0.000 0.440 261 Y N 2.044 122.393 120.300 0.081 0.000 2.097 261 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 261 Y C 2.039 177.982 175.900 0.071 0.000 1.152 261 Y CA 2.013 60.159 58.100 0.076 0.000 1.136 261 Y CB -0.061 38.420 38.460 0.035 0.000 0.975 261 Y HN 0.160 nan 8.280 nan 0.000 0.498 262 E N 0.495 120.737 120.200 0.070 0.000 2.077 262 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 262 E C 2.401 178.964 176.600 -0.063 0.000 0.989 262 E CA 1.346 57.722 56.400 -0.041 0.000 0.800 262 E CB -0.620 29.115 29.700 0.058 0.000 0.746 262 E HN 0.566 nan 8.360 nan 0.000 0.452 263 L N 0.833 122.060 121.223 0.006 0.000 2.013 263 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 263 L C 2.503 179.439 176.870 0.111 0.000 1.073 263 L CA 1.557 56.442 54.840 0.075 0.000 0.753 263 L CB -0.395 41.726 42.059 0.103 0.000 0.890 263 L HN 0.092 nan 8.230 nan 0.000 0.432 264 K N -0.726 119.740 120.400 0.110 0.000 2.057 264 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 264 K C 2.201 178.741 176.600 -0.101 0.000 1.049 264 K CA 1.037 57.337 56.287 0.022 0.000 0.931 264 K CB -0.134 32.366 32.500 -0.001 0.000 0.714 264 K HN 0.273 nan 8.250 nan 0.000 0.440 265 Q N 0.074 119.727 119.800 -0.246 0.000 2.170 265 Q HA -0.081 4.259 4.340 -0.000 0.000 0.203 265 Q C 1.845 177.772 176.000 -0.122 0.000 0.976 265 Q CA 1.393 57.043 55.803 -0.254 0.000 0.858 265 Q CB -0.154 28.329 28.738 -0.424 0.000 0.907 265 Q HN 0.313 nan 8.270 nan 0.000 0.433 266 A N -0.377 122.394 122.820 -0.082 0.000 2.259 266 A HA 0.348 4.668 4.320 -0.000 0.000 0.208 266 A C 1.403 178.977 177.584 -0.017 0.000 1.201 266 A CA 0.843 52.857 52.037 -0.038 0.000 0.824 266 A CB -0.325 18.661 19.000 -0.023 0.000 0.838 266 A HN 0.410 nan 8.150 nan 0.000 0.485 267 G N -0.675 108.114 108.800 -0.019 0.000 2.148 267 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 267 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 267 G C 0.121 175.033 174.900 0.019 0.000 0.981 267 G CA 0.354 45.448 45.100 -0.009 0.000 0.670 267 G HN 0.509 nan 8.290 nan 0.000 0.528 268 I N 2.278 122.884 120.570 0.061 0.000 2.416 268 I HA 0.369 4.539 4.170 -0.000 0.000 0.288 268 I C 1.179 177.411 176.117 0.192 0.000 1.051 268 I CA 0.277 61.647 61.300 0.118 0.000 1.375 268 I CB 1.031 39.109 38.000 0.130 0.000 1.407 268 I HN 0.292 nan 8.210 nan 0.000 0.516 269 T N 2.311 116.941 114.554 0.128 0.000 2.952 269 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 269 T C -0.978 173.849 174.700 0.212 0.000 1.024 269 T CA -0.726 61.382 62.100 0.013 0.000 1.029 269 T CB 1.685 70.490 68.868 -0.106 0.000 1.094 269 T HN 0.681 nan 8.240 nan 0.000 0.515 270 W N -0.305 120.993 121.300 -0.003 0.000 3.167 270 W HA 0.605 5.265 4.660 -0.000 0.000 0.324 270 W C 0.430 176.951 176.519 0.003 0.000 1.230 270 W CA -0.572 56.774 57.345 0.001 0.000 1.184 270 W CB 0.838 30.301 29.460 0.005 0.000 1.414 270 W HN 0.669 nan 8.180 nan 0.000 0.551 271 S N 0.459 116.238 115.700 0.132 0.000 2.501 271 S HA 0.347 4.817 4.470 -0.000 0.000 0.220 271 S C 0.813 175.476 174.600 0.105 0.000 0.997 271 S CA 0.469 58.691 58.200 0.037 0.000 0.919 271 S CB -0.096 63.129 63.200 0.042 0.000 0.778 271 S HN 0.828 nan 8.310 nan 0.000 0.523 272 G N 1.530 110.497 108.800 0.279 0.000 2.882 272 G HA2 0.573 4.533 3.960 -0.000 0.000 0.164 272 G HA3 0.573 4.533 3.960 -0.000 0.000 0.164 272 G C -0.156 174.943 174.900 0.333 0.000 1.429 272 G CA 0.155 45.401 45.100 0.244 0.000 1.059 272 G HN 0.552 nan 8.290 nan 0.000 0.581 273 T N -2.730 111.976 114.554 0.253 0.000 2.864 273 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 273 T C -0.607 174.161 174.700 0.114 0.000 1.082 273 T CA -0.859 61.389 62.100 0.247 0.000 1.009 273 T CB 1.471 70.430 68.868 0.152 0.000 1.234 273 T HN 0.205 nan 8.240 nan 0.000 0.526 274 L N 2.009 123.283 121.223 0.086 0.000 2.325 274 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 274 L C -0.532 176.348 176.870 0.016 0.000 1.089 274 L CA -0.080 54.755 54.840 -0.010 0.000 0.836 274 L CB -0.127 41.932 42.059 -0.000 0.000 1.184 274 L HN 0.605 nan 8.230 nan 0.000 0.444 275 L N 3.999 125.222 121.223 0.001 0.000 2.354 275 L HA 0.555 4.895 4.340 -0.000 0.000 0.269 275 L C 0.287 177.164 176.870 0.012 0.000 1.005 275 L CA -0.763 54.086 54.840 0.015 0.000 0.819 275 L CB 2.497 44.568 42.059 0.020 0.000 1.311 275 L HN 0.502 nan 8.230 nan 0.000 0.423 276 R N 1.652 122.163 120.500 0.018 0.000 2.441 276 R HA 0.250 4.590 4.340 -0.000 0.000 0.284 276 R C -0.679 175.635 176.300 0.024 0.000 1.070 276 R CA -0.282 55.830 56.100 0.021 0.000 1.047 276 R CB 0.988 31.299 30.300 0.020 0.000 1.016 276 R HN 0.634 nan 8.270 nan 0.000 0.477 277 Q N 1.972 121.789 119.800 0.029 0.000 2.357 277 Q HA 0.170 4.510 4.340 -0.000 0.000 0.266 277 Q C -0.217 175.804 176.000 0.034 0.000 1.021 277 Q CA -0.436 55.384 55.803 0.029 0.000 0.784 277 Q CB 1.596 30.351 28.738 0.029 0.000 1.243 277 Q HN 0.835 nan 8.270 nan 0.000 0.465 278 T N 0.047 114.619 114.554 0.031 0.000 3.001 278 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 278 T C 0.281 175.002 174.700 0.036 0.000 1.040 278 T CA -0.170 61.951 62.100 0.035 0.000 0.985 278 T CB 0.427 69.313 68.868 0.031 0.000 1.011 278 T HN 0.409 nan 8.240 nan 0.000 0.509 279 Q N 2.797 122.616 119.800 0.032 0.000 2.261 279 Q HA 0.460 4.800 4.340 -0.000 0.000 0.252 279 Q C 0.332 176.353 176.000 0.036 0.000 0.915 279 Q CA -0.557 55.266 55.803 0.032 0.000 0.915 279 Q CB 1.801 30.554 28.738 0.025 0.000 1.204 279 Q HN 0.452 nan 8.270 nan 0.000 0.421 280 V N 1.042 120.981 119.914 0.043 0.000 2.788 280 V HA 0.254 4.374 4.120 -0.000 0.000 0.307 280 V C -0.134 175.981 176.094 0.035 0.000 1.069 280 V CA -0.221 62.107 62.300 0.047 0.000 1.173 280 V CB -0.197 31.662 31.823 0.061 0.000 0.925 280 V HN 0.992 nan 8.190 nan 0.000 0.492 281 N N 1.058 119.778 118.700 0.033 0.000 2.710 281 N HA 0.388 5.128 4.740 -0.000 0.000 0.257 281 N C -1.323 174.200 175.510 0.022 0.000 1.327 281 N CA -0.958 52.107 53.050 0.024 0.000 0.861 281 N CB 1.372 39.870 38.487 0.019 0.000 1.532 281 N HN 0.645 nan 8.380 nan 0.000 0.499 282 E N 1.077 121.287 120.200 0.016 0.000 2.360 282 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 282 E C -2.049 174.555 176.600 0.007 0.000 1.022 282 E CA -1.351 55.057 56.400 0.013 0.000 0.887 282 E CB 0.305 30.011 29.700 0.010 0.000 0.990 282 E HN 0.495 nan 8.360 nan 0.000 0.426 283 P HA 0.018 nan 4.420 nan 0.000 0.269 283 P C 0.302 177.597 177.300 -0.007 0.000 1.209 283 P CA -0.050 63.048 63.100 -0.004 0.000 0.776 283 P CB 0.659 32.355 31.700 -0.007 0.000 0.876 284 G N 1.595 110.387 108.800 -0.012 0.000 2.516 284 G HA2 0.226 4.186 3.960 -0.000 0.000 0.276 284 G HA3 0.226 4.186 3.960 -0.000 0.000 0.276 284 G C -0.528 174.362 174.900 -0.016 0.000 1.390 284 G CA -0.362 44.730 45.100 -0.013 0.000 1.050 284 G HN 0.434 nan 8.290 nan 0.000 0.519 285 T N 0.536 115.080 114.554 -0.016 0.000 2.779 285 T HA 0.280 4.630 4.350 -0.000 0.000 0.296 285 T C 0.356 175.041 174.700 -0.026 0.000 0.938 285 T CA -0.194 61.895 62.100 -0.018 0.000 1.119 285 T CB 0.990 69.850 68.868 -0.015 0.000 0.891 285 T HN 0.248 nan 8.240 nan 0.000 0.526 286 V N 5.769 125.666 119.914 -0.029 0.000 2.415 286 V HA 0.044 4.164 4.120 -0.000 0.000 0.267 286 V C 1.230 177.302 176.094 -0.037 0.000 1.042 286 V CA 0.124 62.401 62.300 -0.039 0.000 1.000 286 V CB 0.788 32.586 31.823 -0.042 0.000 1.015 286 V HN 0.827 nan 8.190 nan 0.000 0.478 287 V N 4.149 124.039 119.914 -0.041 0.000 3.125 287 V HA 0.397 4.517 4.120 -0.000 0.000 0.249 287 V C 0.866 176.935 176.094 -0.041 0.000 1.113 287 V CA 1.281 63.560 62.300 -0.036 0.000 1.106 287 V CB 0.421 32.224 31.823 -0.032 0.000 0.768 287 V HN 0.904 nan 8.190 nan 0.000 0.468 288 A N -0.256 122.532 122.820 -0.053 0.000 2.587 288 A HA 0.851 5.171 4.320 -0.000 0.000 0.293 288 A C -0.576 176.964 177.584 -0.072 0.000 1.087 288 A CA 0.189 52.192 52.037 -0.057 0.000 0.692 288 A CB 1.997 20.963 19.000 -0.057 0.000 1.291 288 A HN 0.421 nan 8.150 nan 0.000 0.407 289 S N 0.155 115.813 115.700 -0.069 0.000 2.547 289 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 289 S C -1.280 173.278 174.600 -0.070 0.000 1.150 289 S CA -0.744 57.409 58.200 -0.079 0.000 0.850 289 S CB 1.894 65.051 63.200 -0.072 0.000 1.118 289 S HN 1.207 nan 8.310 nan 0.000 0.461 290 K N 0.897 121.251 120.400 -0.076 0.000 2.513 290 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 290 K C -1.536 175.031 176.600 -0.054 0.000 0.939 290 K CA -0.167 56.086 56.287 -0.057 0.000 0.793 290 K CB 1.933 34.402 32.500 -0.052 0.000 1.241 290 K HN 0.798 nan 8.250 nan 0.000 0.431 291 Q N 1.680 121.452 119.800 -0.048 0.000 2.342 291 Q HA 0.414 4.754 4.340 -0.000 0.000 0.267 291 Q C -0.535 175.452 176.000 -0.022 0.000 1.038 291 Q CA -1.077 54.695 55.803 -0.052 0.000 0.832 291 Q CB 2.026 30.713 28.738 -0.084 0.000 1.323 291 Q HN 0.879 nan 8.270 nan 0.000 0.448 292 S N 0.691 116.399 115.700 0.014 0.000 2.608 292 S HA 0.531 5.001 4.470 -0.000 0.000 0.261 292 S C 0.370 174.977 174.600 0.011 0.000 1.314 292 S CA -0.577 57.653 58.200 0.049 0.000 0.992 292 S CB 0.813 64.120 63.200 0.178 0.000 0.935 292 S HN 0.711 nan 8.310 nan 0.000 0.564 293 A N 1.942 124.769 122.820 0.011 0.000 2.583 293 A HA 0.400 4.720 4.320 -0.000 0.000 0.231 293 A C -2.050 175.508 177.584 -0.042 0.000 1.065 293 A CA -0.796 51.226 52.037 -0.024 0.000 0.760 293 A CB -1.157 17.830 19.000 -0.022 0.000 1.001 293 A HN 0.760 nan 8.150 nan 0.000 0.509 294 P HA 0.034 nan 4.420 nan 0.000 0.269 294 P C 0.974 178.193 177.300 -0.135 0.000 1.215 294 P CA -0.428 62.577 63.100 -0.159 0.000 0.780 294 P CB 0.423 31.954 31.700 -0.282 0.000 0.898 295 L N 2.880 124.116 121.223 0.022 0.000 2.081 295 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 295 L C 2.658 179.570 176.870 0.071 0.000 1.080 295 L CA 1.912 56.831 54.840 0.132 0.000 0.754 295 L CB -1.569 40.621 42.059 0.219 0.000 0.893 295 L HN 0.546 nan 8.230 nan 0.000 0.433 296 H N -2.339 116.782 119.070 0.085 0.000 2.352 296 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 296 H C 1.418 176.768 175.328 0.036 0.000 1.097 296 H CA 1.466 57.541 56.048 0.045 0.000 1.311 296 H CB -0.554 29.229 29.762 0.034 0.000 1.377 296 H HN 0.348 nan 8.280 nan 0.000 0.504 297 D N 1.275 121.527 120.400 -0.248 0.000 2.117 297 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 297 D C 2.664 178.965 176.300 0.001 0.000 0.987 297 D CA 0.810 54.760 54.000 -0.083 0.000 0.829 297 D CB -0.127 40.581 40.800 -0.154 0.000 0.961 297 D HN 0.394 nan 8.370 nan 0.000 0.460 298 L N 0.194 121.431 121.223 0.023 0.000 2.093 298 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 298 L C 2.525 179.443 176.870 0.080 0.000 1.085 298 L CA 0.551 55.439 54.840 0.080 0.000 0.755 298 L CB -0.352 41.808 42.059 0.168 0.000 0.904 298 L HN 0.033 nan 8.230 nan 0.000 0.435 299 L N -0.085 121.183 121.223 0.076 0.000 2.141 299 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 299 L C 2.664 179.530 176.870 -0.007 0.000 1.094 299 L CA 1.134 55.998 54.840 0.041 0.000 0.763 299 L CB -0.419 41.650 42.059 0.017 0.000 0.908 299 L HN 0.252 nan 8.230 nan 0.000 0.437 300 K N 0.923 121.325 120.400 0.002 0.000 2.026 300 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 300 K C 2.082 178.688 176.600 0.011 0.000 1.048 300 K CA 1.363 57.647 56.287 -0.004 0.000 0.929 300 K CB -0.071 32.443 32.500 0.023 0.000 0.713 300 K HN 0.169 nan 8.250 nan 0.000 0.439 301 I N 0.998 121.583 120.570 0.025 0.000 2.163 301 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 301 I C 2.681 178.816 176.117 0.030 0.000 1.085 301 I CA 1.458 62.775 61.300 0.029 0.000 1.347 301 I CB -0.266 37.753 38.000 0.033 0.000 1.044 301 I HN 0.363 nan 8.210 nan 0.000 0.408 302 M N 0.570 120.194 119.600 0.039 0.000 2.108 302 M HA -0.248 4.232 4.480 -0.000 0.000 0.261 302 M C 2.228 178.549 176.300 0.036 0.000 1.066 302 M CA 2.016 57.345 55.300 0.048 0.000 1.107 302 M CB -0.014 32.628 32.600 0.071 0.000 1.356 302 M HN 0.218 nan 8.290 nan 0.000 0.406 303 L N -0.452 120.781 121.223 0.017 0.000 2.162 303 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 303 L C 2.468 179.351 176.870 0.023 0.000 1.086 303 L CA 0.602 55.450 54.840 0.015 0.000 0.778 303 L CB -0.539 41.502 42.059 -0.030 0.000 0.928 303 L HN 0.183 nan 8.230 nan 0.000 0.446 304 K N 0.224 120.636 120.400 0.019 0.000 2.217 304 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 304 K C 1.526 178.141 176.600 0.024 0.000 1.051 304 K CA 0.944 57.247 56.287 0.026 0.000 0.952 304 K CB 0.126 32.642 32.500 0.026 0.000 0.736 304 K HN 0.215 nan 8.250 nan 0.000 0.453 305 K N -0.273 120.139 120.400 0.021 0.000 2.402 305 K HA 0.091 4.410 4.320 -0.000 0.000 0.203 305 K C 0.110 176.715 176.600 0.008 0.000 1.077 305 K CA -0.065 56.230 56.287 0.014 0.000 1.051 305 K CB 0.877 33.386 32.500 0.015 0.000 0.907 305 K HN -0.111 nan 8.250 nan 0.000 0.554 306 S N 2.758 118.467 115.700 0.015 0.000 3.697 306 S HA -0.146 4.323 4.470 -0.000 0.000 0.388 306 S C -0.408 174.202 174.600 0.016 0.000 0.941 306 S CA 0.386 58.594 58.200 0.013 0.000 1.247 306 S CB -1.201 61.993 63.200 -0.010 0.000 0.904 306 S HN 0.387 nan 8.310 nan 0.000 0.518 307 D N 1.315 121.734 120.400 0.033 0.000 2.374 307 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 307 D C 1.324 177.660 176.300 0.059 0.000 1.229 307 D CA -0.395 53.630 54.000 0.041 0.000 0.895 307 D CB 0.264 41.090 40.800 0.045 0.000 1.046 307 D HN 0.398 nan 8.370 nan 0.000 0.498 308 N N 3.544 122.274 118.700 0.050 0.000 2.223 308 N HA -0.178 4.561 4.740 -0.000 0.000 0.185 308 N C 1.554 177.132 175.510 0.114 0.000 1.016 308 N CA 0.772 53.858 53.050 0.060 0.000 0.863 308 N CB -0.173 38.318 38.487 0.006 0.000 0.983 308 N HN 0.565 nan 8.380 nan 0.000 0.429 309 M N 0.208 119.867 119.600 0.098 0.000 2.200 309 M HA 0.041 4.520 4.480 -0.000 0.000 0.265 309 M C 1.721 178.098 176.300 0.128 0.000 1.066 309 M CA 1.066 56.440 55.300 0.124 0.000 1.127 309 M CB 0.111 32.758 32.600 0.078 0.000 1.379 309 M HN -0.020 nan 8.290 nan 0.000 0.420 310 I N 0.299 120.929 120.570 0.100 0.000 2.315 310 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 310 I C 2.598 178.833 176.117 0.197 0.000 1.117 310 I CA 1.108 62.477 61.300 0.115 0.000 1.404 310 I CB -0.667 37.395 38.000 0.103 0.000 1.071 310 I HN 0.373 nan 8.210 nan 0.000 0.419 311 A N 0.527 123.460 122.820 0.188 0.000 1.877 311 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 311 A C 1.967 179.738 177.584 0.311 0.000 1.186 311 A CA 2.065 54.237 52.037 0.225 0.000 0.620 311 A CB -0.481 18.626 19.000 0.178 0.000 0.822 311 A HN 0.339 nan 8.150 nan 0.000 0.443 312 D N -0.819 119.781 120.400 0.333 0.000 2.213 312 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 312 D C 2.318 178.841 176.300 0.372 0.000 0.961 312 D CA 1.794 56.068 54.000 0.455 0.000 0.853 312 D CB -0.486 40.697 40.800 0.637 0.000 0.967 312 D HN 0.618 nan 8.370 nan 0.000 0.496 313 T N -0.854 113.903 114.554 0.338 0.000 2.777 313 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 313 T C 2.253 177.261 174.700 0.513 0.000 1.040 313 T CA 0.810 63.152 62.100 0.404 0.000 1.141 313 T CB -0.796 68.199 68.868 0.211 0.000 0.868 313 T HN -0.074 nan 8.240 nan 0.000 0.444 314 V N 1.029 121.235 119.914 0.487 0.000 2.332 314 V HA -0.093 4.027 4.120 -0.000 0.000 0.248 314 V C 2.186 178.421 176.094 0.236 0.000 1.055 314 V CA 2.022 64.551 62.300 0.381 0.000 1.038 314 V CB -0.968 31.042 31.823 0.312 0.000 0.651 314 V HN 0.502 nan 8.190 nan 0.000 0.450 315 F N 0.998 121.020 119.950 0.121 0.000 2.102 315 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 315 F C 2.607 178.355 175.800 -0.086 0.000 1.105 315 F CA 1.769 59.801 58.000 0.053 0.000 1.239 315 F CB -0.202 38.892 39.000 0.157 0.000 0.991 315 F HN -0.063 nan 8.300 nan 0.000 0.474 316 R N -0.681 119.752 120.500 -0.113 0.000 2.148 316 R HA -0.128 4.212 4.340 -0.000 0.000 0.223 316 R C 2.063 178.248 176.300 -0.191 0.000 1.088 316 R CA 1.261 57.066 56.100 -0.492 0.000 0.985 316 R CB -0.421 29.139 30.300 -1.233 0.000 0.880 316 R HN 0.332 nan 8.270 nan 0.000 0.451 317 M N 0.976 120.636 119.600 0.100 0.000 2.159 317 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 317 M C 1.812 178.065 176.300 -0.078 0.000 1.063 317 M CA 1.577 56.959 55.300 0.137 0.000 1.110 317 M CB -0.141 32.479 32.600 0.033 0.000 1.374 317 M HN 0.037 nan 8.290 nan 0.000 0.411 318 I N -0.715 119.733 120.570 -0.202 0.000 2.151 318 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 318 I C 2.359 178.286 176.117 -0.317 0.000 1.080 318 I CA 1.546 62.674 61.300 -0.287 0.000 1.339 318 I CB -1.225 36.587 38.000 -0.313 0.000 1.039 318 I HN 0.476 nan 8.210 nan 0.000 0.409 319 G N -0.472 108.142 108.800 -0.310 0.000 2.421 319 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.216 319 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.216 319 G C 1.465 176.302 174.900 -0.105 0.000 1.171 319 G CA 1.278 46.237 45.100 -0.235 0.000 0.775 319 G HN 0.440 nan 8.290 nan 0.000 0.543 320 H N 1.316 120.327 119.070 -0.098 0.000 2.265 320 H HA -0.020 4.536 4.556 -0.000 0.000 0.295 320 H C 2.690 177.983 175.328 -0.059 0.000 1.084 320 H CA 2.518 58.561 56.048 -0.009 0.000 1.261 320 H CB -0.448 29.366 29.762 0.087 0.000 1.360 320 H HN 0.279 nan 8.280 nan 0.000 0.487 321 A N 0.430 123.144 122.820 -0.178 0.000 1.908 321 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 321 A C 2.501 179.901 177.584 -0.307 0.000 1.181 321 A CA 1.867 53.751 52.037 -0.255 0.000 0.627 321 A CB -0.713 18.169 19.000 -0.196 0.000 0.818 321 A HN 0.533 nan 8.150 nan 0.000 0.445 322 R N -2.188 118.055 120.500 -0.429 0.000 2.090 322 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 322 R C 0.826 176.817 176.300 -0.516 0.000 1.110 322 R CA 1.451 57.193 56.100 -0.597 0.000 0.973 322 R CB -0.119 29.566 30.300 -1.026 0.000 0.869 322 R HN 0.494 nan 8.270 nan 0.000 0.440 323 F N 0.298 120.171 119.950 -0.129 0.000 2.682 323 F HA 0.305 4.832 4.527 -0.000 0.000 0.308 323 F C 0.077 175.805 175.800 -0.121 0.000 1.093 323 F CA -0.705 57.233 58.000 -0.105 0.000 1.244 323 F CB 0.174 39.127 39.000 -0.080 0.000 1.052 323 F HN -0.067 nan 8.300 nan 0.000 0.573 324 N N 1.395 120.048 118.700 -0.079 0.000 2.714 324 N HA -0.140 4.600 4.740 -0.000 0.000 0.253 324 N C -0.713 174.771 175.510 -0.043 0.000 1.024 324 N CA 1.018 53.975 53.050 -0.154 0.000 0.726 324 N CB -1.534 36.903 38.487 -0.084 0.000 0.908 324 N HN 0.288 nan 8.380 nan 0.000 0.542 325 V N -4.327 115.590 119.914 0.005 0.000 3.130 325 V HA 0.754 4.874 4.120 -0.000 0.000 0.310 325 V C -2.584 173.654 176.094 0.239 0.000 1.158 325 V CA -2.318 60.043 62.300 0.102 0.000 1.029 325 V CB 2.370 34.249 31.823 0.094 0.000 1.057 325 V HN -0.205 nan 8.190 nan 0.000 0.436 326 P HA 0.230 nan 4.420 nan 0.000 0.264 326 P C 0.355 177.778 177.300 0.205 0.000 1.193 326 P CA 0.838 64.091 63.100 0.255 0.000 0.763 326 P CB 0.310 32.098 31.700 0.146 0.000 0.810 327 G N 2.600 111.553 108.800 0.255 0.000 2.365 327 G HA2 0.439 4.399 3.960 -0.000 0.000 0.249 327 G HA3 0.439 4.399 3.960 -0.000 0.000 0.249 327 G C -0.028 174.697 174.900 -0.292 0.000 1.288 327 G CA -0.026 45.073 45.100 -0.001 0.000 0.887 327 G HN 0.536 nan 8.290 nan 0.000 0.524 328 T N -0.827 113.566 114.554 -0.269 0.000 2.907 328 T HA 0.348 4.698 4.350 -0.000 0.000 0.290 328 T C 0.736 175.258 174.700 -0.297 0.000 1.066 328 T CA -0.968 60.942 62.100 -0.316 0.000 1.012 328 T CB 1.230 70.044 68.868 -0.090 0.000 1.184 328 T HN 0.507 nan 8.240 nan 0.000 0.522 329 W N 0.149 121.443 121.300 -0.009 0.000 2.358 329 W HA 0.093 4.753 4.660 -0.000 0.000 0.303 329 W C 2.978 179.597 176.519 0.166 0.000 1.208 329 W CA 0.705 58.124 57.345 0.123 0.000 1.274 329 W CB -0.140 29.326 29.460 0.009 0.000 1.138 329 W HN 0.680 nan 8.180 nan 0.000 0.515 330 R N 0.623 121.284 120.500 0.268 0.000 2.075 330 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 330 R C 2.287 178.671 176.300 0.141 0.000 1.126 330 R CA 1.681 57.895 56.100 0.189 0.000 0.963 330 R CB -0.588 29.780 30.300 0.114 0.000 0.858 330 R HN 0.106 nan 8.270 nan 0.000 0.435 331 A N 0.204 123.080 122.820 0.093 0.000 1.902 331 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 331 A C 2.337 179.967 177.584 0.078 0.000 1.181 331 A CA 1.744 53.868 52.037 0.144 0.000 0.623 331 A CB -1.343 17.739 19.000 0.137 0.000 0.818 331 A HN 0.578 nan 8.150 nan 0.000 0.443 332 G N -0.575 108.138 108.800 -0.144 0.000 2.459 332 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 332 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 332 G C 1.854 176.492 174.900 -0.437 0.000 1.183 332 G CA 1.424 46.126 45.100 -0.663 0.000 0.776 332 G HN 0.499 nan 8.290 nan 0.000 0.552 333 S N 0.927 116.709 115.700 0.137 0.000 2.356 333 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 333 S C 2.043 176.742 174.600 0.165 0.000 1.032 333 S CA 1.465 59.852 58.200 0.312 0.000 1.005 333 S CB -0.339 63.070 63.200 0.349 0.000 0.867 333 S HN 0.360 nan 8.310 nan 0.000 0.449 334 D N 1.749 122.248 120.400 0.166 0.000 2.123 334 D HA -0.027 4.613 4.640 -0.000 0.000 0.196 334 D C 2.155 178.600 176.300 0.241 0.000 0.992 334 D CA 1.327 55.445 54.000 0.196 0.000 0.833 334 D CB -0.541 40.374 40.800 0.191 0.000 0.954 334 D HN 0.384 nan 8.370 nan 0.000 0.455 335 A N 0.473 123.408 122.820 0.191 0.000 1.877 335 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 335 A C 2.534 180.050 177.584 -0.112 0.000 1.186 335 A CA 1.297 53.260 52.037 -0.123 0.000 0.620 335 A CB -0.757 17.971 19.000 -0.452 0.000 0.822 335 A HN 0.147 nan 8.150 nan 0.000 0.443 336 V N 0.199 120.059 119.914 -0.091 0.000 2.295 336 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 336 V C 2.651 178.753 176.094 0.013 0.000 1.049 336 V CA 2.285 64.565 62.300 -0.033 0.000 1.024 336 V CB -0.860 30.998 31.823 0.059 0.000 0.648 336 V HN 0.708 nan 8.190 nan 0.000 0.447 337 R N -0.131 120.401 120.500 0.053 0.000 2.096 337 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 337 R C 2.353 178.669 176.300 0.027 0.000 1.139 337 R CA 2.110 58.242 56.100 0.053 0.000 0.952 337 R CB -0.257 30.090 30.300 0.078 0.000 0.854 337 R HN 0.586 nan 8.270 nan 0.000 0.436 338 Q N -0.009 119.813 119.800 0.036 0.000 2.079 338 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 338 Q C 2.266 178.247 176.000 -0.031 0.000 0.974 338 Q CA 1.661 57.478 55.803 0.024 0.000 0.840 338 Q CB -0.028 28.754 28.738 0.073 0.000 0.898 338 Q HN 0.450 nan 8.270 nan 0.000 0.430 339 I N 0.572 121.102 120.570 -0.066 0.000 2.179 339 I HA -0.297 3.872 4.170 -0.000 0.000 0.242 339 I C 2.153 178.200 176.117 -0.117 0.000 1.088 339 I CA 1.062 62.301 61.300 -0.102 0.000 1.357 339 I CB -0.190 37.740 38.000 -0.116 0.000 1.051 339 I HN 0.201 nan 8.210 nan 0.000 0.409 340 L N 0.131 121.297 121.223 -0.096 0.000 2.083 340 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 340 L C 2.734 179.531 176.870 -0.122 0.000 1.083 340 L CA 1.133 55.897 54.840 -0.127 0.000 0.752 340 L CB -0.512 41.507 42.059 -0.068 0.000 0.899 340 L HN 0.218 nan 8.230 nan 0.000 0.433 341 R N 0.283 120.742 120.500 -0.068 0.000 2.062 341 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 341 R C 2.175 178.442 176.300 -0.056 0.000 1.128 341 R CA 1.642 57.713 56.100 -0.047 0.000 0.960 341 R CB -0.211 30.080 30.300 -0.015 0.000 0.855 341 R HN 0.373 nan 8.270 nan 0.000 0.432 342 Q N -1.113 118.653 119.800 -0.057 0.000 2.204 342 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 342 Q C 1.902 177.863 176.000 -0.065 0.000 0.946 342 Q CA 1.007 56.784 55.803 -0.044 0.000 0.859 342 Q CB 0.285 29.006 28.738 -0.028 0.000 0.946 342 Q HN 0.237 nan 8.270 nan 0.000 0.474 343 Q N -0.439 119.294 119.800 -0.111 0.000 2.339 343 Q HA 0.177 4.517 4.340 -0.000 0.000 0.205 343 Q C 1.061 176.897 176.000 -0.273 0.000 0.925 343 Q CA 1.075 56.795 55.803 -0.139 0.000 0.898 343 Q CB 0.604 29.260 28.738 -0.136 0.000 1.013 343 Q HN 0.305 nan 8.270 nan 0.000 0.504 344 A N -0.924 121.649 122.820 -0.412 0.000 2.431 344 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 344 A C 1.244 178.616 177.584 -0.353 0.000 1.230 344 A CA 0.343 51.874 52.037 -0.843 0.000 0.928 344 A CB -0.123 18.248 19.000 -1.048 0.000 1.006 344 A HN 0.272 nan 8.150 nan 0.000 0.520 345 G N -0.387 108.323 108.800 -0.150 0.000 2.283 345 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 345 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 345 G C 0.049 174.933 174.900 -0.027 0.000 1.029 345 G CA 0.555 45.633 45.100 -0.037 0.000 0.840 345 G HN 0.904 nan 8.290 nan 0.000 0.505 346 V N 0.682 120.556 119.914 -0.066 0.000 2.334 346 V HA 0.385 4.505 4.120 -0.000 0.000 0.281 346 V C -0.070 176.011 176.094 -0.021 0.000 1.016 346 V CA -1.000 61.281 62.300 -0.032 0.000 0.832 346 V CB 1.804 33.599 31.823 -0.047 0.000 0.999 346 V HN 0.344 nan 8.190 nan 0.000 0.439 347 D N 4.712 125.112 120.400 -0.000 0.000 2.339 347 D HA 0.221 4.861 4.640 -0.000 0.000 0.241 347 D C 1.105 177.416 176.300 0.018 0.000 1.183 347 D CA -0.400 53.605 54.000 0.009 0.000 0.859 347 D CB 1.317 42.124 40.800 0.013 0.000 1.067 347 D HN 0.606 nan 8.370 nan 0.000 0.484 348 I N 1.292 121.876 120.570 0.023 0.000 3.564 348 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 348 I C 1.360 177.499 176.117 0.038 0.000 1.289 348 I CA -0.018 61.303 61.300 0.035 0.000 1.325 348 I CB -0.391 37.636 38.000 0.045 0.000 1.039 348 I HN 0.451 nan 8.210 nan 0.000 0.474 349 G N 3.020 111.839 108.800 0.032 0.000 2.622 349 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.307 349 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.307 349 G C 0.425 175.345 174.900 0.033 0.000 1.226 349 G CA 0.919 46.036 45.100 0.030 0.000 0.997 349 G HN 0.594 nan 8.290 nan 0.000 0.551 350 N N 1.165 119.884 118.700 0.032 0.000 2.521 350 N HA 0.201 4.941 4.740 -0.000 0.000 0.188 350 N C 0.571 176.105 175.510 0.039 0.000 1.146 350 N CA 0.528 53.596 53.050 0.031 0.000 0.893 350 N CB 0.039 38.542 38.487 0.025 0.000 0.975 350 N HN 0.517 nan 8.380 nan 0.000 0.451 351 T N 1.519 116.103 114.554 0.049 0.000 2.939 351 T HA -0.003 4.347 4.350 -0.000 0.000 0.319 351 T C 0.236 174.974 174.700 0.064 0.000 1.082 351 T CA 0.385 62.522 62.100 0.061 0.000 1.133 351 T CB 0.732 69.642 68.868 0.070 0.000 1.019 351 T HN 0.030 nan 8.240 nan 0.000 0.548 352 I N 3.680 124.291 120.570 0.067 0.000 2.389 352 I HA 0.401 4.571 4.170 -0.000 0.000 0.288 352 I C 0.011 176.186 176.117 0.098 0.000 0.999 352 I CA -0.547 60.799 61.300 0.077 0.000 1.129 352 I CB 1.344 39.379 38.000 0.059 0.000 1.288 352 I HN 0.560 nan 8.210 nan 0.000 0.444 353 I N 5.080 125.728 120.570 0.129 0.000 2.362 353 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 353 I C 0.836 177.054 176.117 0.169 0.000 0.994 353 I CA -0.096 61.299 61.300 0.158 0.000 1.158 353 I CB 1.964 40.106 38.000 0.236 0.000 1.315 353 I HN 0.713 nan 8.210 nan 0.000 0.451 354 A N 4.359 127.222 122.820 0.071 0.000 2.127 354 A HA 0.230 4.550 4.320 -0.000 0.000 0.204 354 A C 0.189 177.656 177.584 -0.195 0.000 1.243 354 A CA 0.476 52.522 52.037 0.014 0.000 0.887 354 A CB 0.109 19.108 19.000 -0.002 0.000 0.933 354 A HN 0.752 nan 8.150 nan 0.000 0.479 355 D N -4.147 116.010 120.400 -0.404 0.000 2.825 355 D HA 0.433 5.073 4.640 -0.000 0.000 0.327 355 D C 0.877 176.572 176.300 -1.007 0.000 1.277 355 D CA 0.255 53.759 54.000 -0.825 0.000 0.950 355 D CB 0.354 40.969 40.800 -0.309 0.000 1.438 355 D HN -0.049 nan 8.370 nan 0.000 0.526 356 G N -1.126 107.288 108.800 -0.644 0.000 2.545 356 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 356 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 356 G C 1.147 176.093 174.900 0.076 0.000 1.144 356 G CA 0.805 45.883 45.100 -0.037 0.000 0.813 356 G HN 0.558 nan 8.290 nan 0.000 0.531 357 S N -0.593 115.152 115.700 0.075 0.000 2.470 357 S HA 0.333 4.803 4.470 -0.000 0.000 0.225 357 S C 1.947 176.555 174.600 0.013 0.000 1.006 357 S CA 1.125 59.365 58.200 0.067 0.000 0.934 357 S CB -0.019 63.218 63.200 0.062 0.000 0.778 357 S HN 1.453 nan 8.310 nan 0.000 0.517 358 G N 1.153 109.950 108.800 -0.004 0.000 2.159 358 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 358 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 358 G C 0.563 175.421 174.900 -0.070 0.000 0.977 358 G CA 0.414 45.496 45.100 -0.030 0.000 0.652 358 G HN 0.487 nan 8.290 nan 0.000 0.531 359 L N 0.680 121.835 121.223 -0.112 0.000 2.083 359 L HA 0.053 4.393 4.340 -0.000 0.000 0.209 359 L C 2.163 178.933 176.870 -0.166 0.000 1.083 359 L CA 1.361 56.035 54.840 -0.275 0.000 0.752 359 L CB -0.381 41.212 42.059 -0.776 0.000 0.899 359 L HN 0.411 nan 8.230 nan 0.000 0.433 360 S N -0.273 115.459 115.700 0.053 0.000 2.549 360 S HA 0.020 4.490 4.470 -0.000 0.000 0.286 360 S C 1.225 175.840 174.600 0.024 0.000 1.314 360 S CA -0.603 57.676 58.200 0.131 0.000 1.062 360 S CB 0.568 63.798 63.200 0.050 0.000 0.865 360 S HN 0.141 nan 8.310 nan 0.000 0.498 361 R N 2.962 123.475 120.500 0.021 0.000 2.323 361 R HA 0.062 4.401 4.340 -0.000 0.000 0.198 361 R C 1.267 177.667 176.300 0.168 0.000 0.988 361 R CA 0.835 56.970 56.100 0.059 0.000 1.041 361 R CB -0.827 29.510 30.300 0.062 0.000 0.926 361 R HN 0.779 nan 8.270 nan 0.000 0.476 362 H N -0.387 118.683 119.070 -0.000 0.000 2.535 362 H HA 0.102 4.658 4.556 -0.000 0.000 0.273 362 H C -0.008 175.317 175.328 -0.005 0.000 0.983 362 H CA -0.346 55.698 56.048 -0.006 0.000 1.238 362 H CB 0.225 29.979 29.762 -0.015 0.000 1.412 362 H HN 0.216 nan 8.280 nan 0.000 0.562 363 N N 1.724 120.488 118.700 0.107 0.000 2.483 363 N HA 0.158 4.898 4.740 -0.000 0.000 0.264 363 N C -1.054 174.476 175.510 0.033 0.000 1.197 363 N CA 0.179 53.262 53.050 0.056 0.000 0.927 363 N CB 1.039 39.536 38.487 0.017 0.000 1.065 363 N HN 0.147 nan 8.380 nan 0.000 0.461 364 L N 3.889 125.136 121.223 0.040 0.000 2.562 364 L HA 0.563 4.903 4.340 -0.000 0.000 0.266 364 L C -1.554 175.351 176.870 0.057 0.000 0.949 364 L CA -0.455 54.403 54.840 0.030 0.000 0.879 364 L CB 1.366 43.442 42.059 0.028 0.000 1.278 364 L HN 0.593 nan 8.230 nan 0.000 0.404 365 I N 2.972 123.589 120.570 0.079 0.000 2.775 365 I HA 0.600 4.770 4.170 -0.000 0.000 0.295 365 I C -0.671 175.582 176.117 0.227 0.000 1.287 365 I CA -0.369 61.016 61.300 0.142 0.000 1.029 365 I CB 2.238 40.337 38.000 0.165 0.000 1.282 365 I HN 0.677 nan 8.210 nan 0.000 0.426 366 A N 7.360 130.285 122.820 0.176 0.000 2.316 366 A HA 0.612 4.932 4.320 -0.000 0.000 0.284 366 A C -2.169 175.484 177.584 0.115 0.000 1.115 366 A CA -1.428 50.707 52.037 0.164 0.000 0.812 366 A CB 0.351 19.408 19.000 0.095 0.000 1.064 366 A HN 0.608 nan 8.150 nan 0.000 0.489 367 P HA -0.257 nan 4.420 nan 0.000 0.217 367 P C 1.644 178.905 177.300 -0.064 0.000 1.151 367 P CA 2.588 65.596 63.100 -0.153 0.000 0.849 367 P CB 0.164 31.793 31.700 -0.118 0.000 0.787 368 A N -1.270 121.550 122.820 -0.001 0.000 1.933 368 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 368 A C 2.212 179.805 177.584 0.014 0.000 1.175 368 A CA 2.438 54.482 52.037 0.011 0.000 0.628 368 A CB -1.774 17.241 19.000 0.025 0.000 0.814 368 A HN 0.178 nan 8.150 nan 0.000 0.444 369 T N -0.581 113.990 114.554 0.028 0.000 2.737 369 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 369 T C 1.927 176.641 174.700 0.023 0.000 1.038 369 T CA 1.805 63.926 62.100 0.034 0.000 1.144 369 T CB -0.280 68.621 68.868 0.055 0.000 0.866 369 T HN 0.403 nan 8.240 nan 0.000 0.434 370 M N 1.104 120.712 119.600 0.013 0.000 2.213 370 M HA 0.054 4.533 4.480 -0.000 0.000 0.263 370 M C 2.075 178.342 176.300 -0.056 0.000 1.062 370 M CA 1.327 56.618 55.300 -0.015 0.000 1.105 370 M CB -0.597 31.977 32.600 -0.044 0.000 1.385 370 M HN 0.162 nan 8.290 nan 0.000 0.417 371 M N 0.124 119.689 119.600 -0.059 0.000 2.149 371 M HA -0.223 4.256 4.480 -0.000 0.000 0.261 371 M C 1.885 178.187 176.300 0.004 0.000 1.064 371 M CA 1.967 57.240 55.300 -0.045 0.000 1.102 371 M CB -0.558 32.030 32.600 -0.020 0.000 1.369 371 M HN 0.457 nan 8.290 nan 0.000 0.408 372 Q N -1.206 118.607 119.800 0.021 0.000 2.119 372 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 372 Q C 2.032 178.074 176.000 0.070 0.000 0.972 372 Q CA 1.739 57.573 55.803 0.051 0.000 0.847 372 Q CB -0.278 28.485 28.738 0.042 0.000 0.903 372 Q HN 0.440 nan 8.270 nan 0.000 0.433 373 V N 1.211 121.146 119.914 0.034 0.000 2.261 373 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 373 V C 2.201 178.326 176.094 0.052 0.000 1.047 373 V CA 1.659 63.977 62.300 0.029 0.000 1.015 373 V CB -0.580 31.244 31.823 0.002 0.000 0.642 373 V HN 0.356 nan 8.190 nan 0.000 0.446 374 L N -0.498 120.726 121.223 0.002 0.000 2.042 374 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 374 L C 2.802 179.810 176.870 0.229 0.000 1.076 374 L CA 1.399 56.256 54.840 0.028 0.000 0.749 374 L CB -0.762 41.138 42.059 -0.265 0.000 0.893 374 L HN 0.351 nan 8.230 nan 0.000 0.432 375 Q N -0.653 119.244 119.800 0.161 0.000 2.050 375 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 375 Q C 2.124 178.227 176.000 0.170 0.000 0.980 375 Q CA 1.911 57.815 55.803 0.168 0.000 0.840 375 Q CB -0.568 28.244 28.738 0.124 0.000 0.898 375 Q HN 0.527 nan 8.270 nan 0.000 0.424 376 Y N 1.082 121.430 120.300 0.081 0.000 2.145 376 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 376 Y C 2.168 178.141 175.900 0.122 0.000 1.145 376 Y CA 1.398 59.567 58.100 0.115 0.000 1.148 376 Y CB -0.297 38.181 38.460 0.030 0.000 0.981 376 Y HN 0.001 nan 8.280 nan 0.000 0.507 377 I N -0.023 120.641 120.570 0.157 0.000 2.127 377 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 377 I C 2.685 178.742 176.117 -0.101 0.000 1.075 377 I CA 1.397 62.675 61.300 -0.037 0.000 1.334 377 I CB -0.809 37.064 38.000 -0.211 0.000 1.040 377 I HN 0.352 nan 8.210 nan 0.000 0.405 378 A N 0.011 122.790 122.820 -0.068 0.000 1.877 378 A HA -0.308 4.011 4.320 -0.000 0.000 0.216 378 A C 2.301 179.774 177.584 -0.184 0.000 1.186 378 A CA 2.009 53.901 52.037 -0.242 0.000 0.620 378 A CB -0.822 18.090 19.000 -0.147 0.000 0.822 378 A HN 0.532 nan 8.150 nan 0.000 0.443 379 Q N -1.251 118.457 119.800 -0.153 0.000 2.181 379 Q HA -0.227 4.113 4.340 -0.000 0.000 0.205 379 Q C 0.740 176.470 176.000 -0.450 0.000 0.980 379 Q CA 1.899 57.539 55.803 -0.271 0.000 0.862 379 Q CB -0.113 28.469 28.738 -0.261 0.000 0.905 379 Q HN 0.841 nan 8.270 nan 0.000 0.429 380 H N -0.939 117.925 119.070 -0.343 0.000 2.486 380 H HA 0.123 4.679 4.556 -0.000 0.000 0.284 380 H C 0.146 175.378 175.328 -0.160 0.000 1.103 380 H CA 0.138 56.008 56.048 -0.296 0.000 1.089 380 H CB 0.555 30.034 29.762 -0.471 0.000 1.603 380 H HN 0.310 nan 8.280 nan 0.000 0.557 381 D N 0.340 120.690 120.400 -0.084 0.000 2.219 381 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 381 D C 1.317 177.606 176.300 -0.018 0.000 0.970 381 D CA 1.064 55.038 54.000 -0.042 0.000 0.851 381 D CB 0.076 40.805 40.800 -0.118 0.000 0.943 381 D HN 0.414 nan 8.370 nan 0.000 0.488 382 N N -0.375 118.296 118.700 -0.048 0.000 2.364 382 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 382 N C 1.314 176.821 175.510 -0.005 0.000 1.022 382 N CA 0.759 53.789 53.050 -0.033 0.000 0.883 382 N CB 0.088 38.545 38.487 -0.049 0.000 0.965 382 N HN 0.367 nan 8.380 nan 0.000 0.438 383 E N 0.517 120.728 120.200 0.018 0.000 2.102 383 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 383 E C 1.690 178.332 176.600 0.070 0.000 0.971 383 E CA 0.600 57.029 56.400 0.048 0.000 0.821 383 E CB 0.126 29.876 29.700 0.085 0.000 0.777 383 E HN 0.288 nan 8.360 nan 0.000 0.460 384 L N 0.608 121.893 121.223 0.104 0.000 2.270 384 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 384 L C 0.745 177.698 176.870 0.137 0.000 1.104 384 L CA 0.112 55.049 54.840 0.163 0.000 0.804 384 L CB -0.427 41.795 42.059 0.271 0.000 0.937 384 L HN 0.230 nan 8.230 nan 0.000 0.450 385 N N -0.662 118.095 118.700 0.096 0.000 2.688 385 N HA -0.297 4.443 4.740 -0.000 0.000 0.258 385 N C 0.538 176.112 175.510 0.107 0.000 1.016 385 N CA 0.013 53.099 53.050 0.060 0.000 0.747 385 N CB -0.625 37.860 38.487 -0.005 0.000 0.895 385 N HN 0.336 nan 8.380 nan 0.000 0.543 386 F N 0.757 120.714 119.950 0.011 0.000 2.315 386 F HA 0.278 4.805 4.527 -0.000 0.000 0.284 386 F C 2.036 177.863 175.800 0.044 0.000 1.049 386 F CA 0.412 58.442 58.000 0.049 0.000 1.323 386 F CB 0.037 39.083 39.000 0.076 0.000 1.113 386 F HN 0.210 nan 8.300 nan 0.000 0.544 387 I N 0.388 121.151 120.570 0.322 0.000 2.361 387 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 387 I C 2.452 178.644 176.117 0.125 0.000 1.133 387 I CA 1.478 62.911 61.300 0.222 0.000 1.413 387 I CB -0.685 37.286 38.000 -0.048 0.000 1.073 387 I HN 0.266 nan 8.210 nan 0.000 0.424 388 S N 0.730 116.464 115.700 0.057 0.000 2.442 388 S HA -0.126 4.344 4.470 -0.000 0.000 0.236 388 S C 1.891 176.495 174.600 0.007 0.000 1.007 388 S CA 0.878 59.087 58.200 0.015 0.000 0.965 388 S CB -0.377 62.820 63.200 -0.006 0.000 0.773 388 S HN 0.432 nan 8.310 nan 0.000 0.504 389 M N 0.626 120.217 119.600 -0.015 0.000 2.447 389 M HA 0.262 4.742 4.480 -0.000 0.000 0.264 389 M C 0.263 176.549 176.300 -0.022 0.000 1.095 389 M CA 0.418 55.682 55.300 -0.059 0.000 1.125 389 M CB -0.344 32.137 32.600 -0.198 0.000 1.389 389 M HN 0.279 nan 8.290 nan 0.000 0.459 390 L N 1.041 122.292 121.223 0.045 0.000 2.436 390 L HA 0.203 4.543 4.340 -0.000 0.000 0.265 390 L C -2.053 174.863 176.870 0.077 0.000 1.168 390 L CA -2.034 52.862 54.840 0.094 0.000 0.815 390 L CB -0.152 42.025 42.059 0.195 0.000 1.109 390 L HN -0.235 nan 8.230 nan 0.000 0.462 391 P HA -0.037 nan 4.420 nan 0.000 0.262 391 P C -0.826 176.528 177.300 0.090 0.000 1.182 391 P CA -0.044 63.100 63.100 0.074 0.000 0.761 391 P CB 0.418 32.158 31.700 0.067 0.000 0.795 392 L N 4.136 125.416 121.223 0.095 0.000 2.272 392 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 392 L C -0.054 176.937 176.870 0.202 0.000 1.032 392 L CA -0.851 54.051 54.840 0.104 0.000 0.810 392 L CB 0.504 42.553 42.059 -0.016 0.000 1.205 392 L HN 0.383 nan 8.230 nan 0.000 0.422 393 A N 3.961 126.884 122.820 0.172 0.000 2.546 393 A HA 0.452 4.772 4.320 -0.000 0.000 0.243 393 A C 1.356 179.086 177.584 0.244 0.000 1.063 393 A CA 0.604 52.734 52.037 0.154 0.000 0.757 393 A CB -0.697 18.349 19.000 0.076 0.000 0.991 393 A HN 1.924 nan 8.150 nan 0.000 0.503 394 G N 0.680 109.563 108.800 0.139 0.000 2.176 394 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 394 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 394 G C -0.091 174.664 174.900 -0.242 0.000 0.979 394 G CA 0.786 45.877 45.100 -0.016 0.000 0.641 394 G HN 0.902 nan 8.290 nan 0.000 0.530 395 Y N 0.070 120.390 120.300 0.033 0.000 2.598 395 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 395 Y C 0.426 176.340 175.900 0.023 0.000 1.038 395 Y CA -1.390 56.725 58.100 0.025 0.000 1.100 395 Y CB 0.927 39.403 38.460 0.027 0.000 1.281 395 Y HN -0.012 nan 8.280 nan 0.000 0.488 396 D N 1.126 121.623 120.400 0.162 0.000 2.662 396 D HA 0.317 4.957 4.640 -0.000 0.000 0.233 396 D C 0.349 176.707 176.300 0.096 0.000 1.129 396 D CA 2.040 56.098 54.000 0.095 0.000 0.851 396 D CB 0.255 41.104 40.800 0.082 0.000 1.152 396 D HN 0.835 nan 8.370 nan 0.000 0.507 397 G N 1.429 110.270 108.800 0.068 0.000 2.340 397 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.282 397 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.282 397 G C 0.658 175.586 174.900 0.046 0.000 1.312 397 G CA 0.039 45.173 45.100 0.057 0.000 0.942 397 G HN 0.233 nan 8.290 nan 0.000 0.495 398 S N -0.471 115.252 115.700 0.038 0.000 2.500 398 S HA 0.028 4.498 4.470 -0.000 0.000 0.239 398 S C 1.671 176.287 174.600 0.028 0.000 0.989 398 S CA 1.248 59.464 58.200 0.026 0.000 0.951 398 S CB -0.217 62.994 63.200 0.019 0.000 0.759 398 S HN 0.428 nan 8.310 nan 0.000 0.523 399 L N 0.777 122.026 121.223 0.045 0.000 3.066 399 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 399 L C 1.836 178.741 176.870 0.059 0.000 1.232 399 L CA -0.064 54.799 54.840 0.038 0.000 1.031 399 L CB -0.088 41.999 42.059 0.047 0.000 1.379 399 L HN 0.197 nan 8.230 nan 0.000 0.563 400 Q N 1.247 121.087 119.800 0.066 0.000 2.096 400 Q HA -0.235 4.105 4.340 -0.000 0.000 0.208 400 Q C -0.015 176.046 176.000 0.101 0.000 0.993 400 Q CA 1.939 57.782 55.803 0.068 0.000 0.862 400 Q CB 0.144 28.913 28.738 0.051 0.000 0.915 400 Q HN 0.411 nan 8.270 nan 0.000 0.416 401 Y N -0.139 120.131 120.300 -0.050 0.000 2.317 401 Y HA 0.412 4.962 4.550 -0.000 0.000 0.329 401 Y C -1.666 174.213 175.900 -0.035 0.000 1.101 401 Y CA -1.153 56.902 58.100 -0.075 0.000 1.228 401 Y CB 0.870 39.256 38.460 -0.122 0.000 1.123 401 Y HN -0.041 nan 8.280 nan 0.000 0.457 402 R N 4.505 124.765 120.500 -0.400 0.000 2.337 402 R HA 0.675 5.015 4.340 -0.000 0.000 0.319 402 R C 0.392 176.367 176.300 -0.541 0.000 0.954 402 R CA 0.396 56.238 56.100 -0.430 0.000 0.840 402 R CB 1.343 31.530 30.300 -0.188 0.000 1.164 402 R HN 0.846 nan 8.270 nan 0.000 0.472 403 A N 3.881 126.263 122.820 -0.731 0.000 1.917 403 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 403 A C 1.887 179.370 177.584 -0.169 0.000 1.182 403 A CA 1.954 53.680 52.037 -0.519 0.000 0.633 403 A CB -0.866 17.952 19.000 -0.303 0.000 0.819 403 A HN 0.926 nan 8.150 nan 0.000 0.448 404 G N -0.152 108.557 108.800 -0.152 0.000 2.446 404 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 404 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 404 G C 1.551 176.406 174.900 -0.075 0.000 1.168 404 G CA 1.146 46.197 45.100 -0.080 0.000 0.771 404 G HN 0.459 nan 8.290 nan 0.000 0.551 405 L N -0.617 120.538 121.223 -0.113 0.000 2.072 405 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 405 L C 2.629 179.466 176.870 -0.055 0.000 1.079 405 L CA 1.380 56.147 54.840 -0.121 0.000 0.752 405 L CB -0.677 41.286 42.059 -0.160 0.000 0.906 405 L HN 0.277 nan 8.230 nan 0.000 0.436 406 H N 0.713 119.724 119.070 -0.099 0.000 2.290 406 H HA -0.198 4.358 4.556 -0.000 0.000 0.298 406 H C 2.284 177.602 175.328 -0.017 0.000 1.087 406 H CA 1.973 58.012 56.048 -0.014 0.000 1.291 406 H CB 0.004 29.844 29.762 0.131 0.000 1.369 406 H HN 0.295 nan 8.280 nan 0.000 0.492 407 Q N -0.551 119.192 119.800 -0.095 0.000 2.224 407 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 407 Q C 2.293 178.204 176.000 -0.148 0.000 0.970 407 Q CA 0.840 56.555 55.803 -0.147 0.000 0.865 407 Q CB 0.045 28.760 28.738 -0.039 0.000 0.922 407 Q HN 0.598 nan 8.270 nan 0.000 0.445 408 A N 0.438 123.182 122.820 -0.126 0.000 2.168 408 A HA 0.177 4.497 4.320 -0.000 0.000 0.215 408 A C 1.581 179.069 177.584 -0.160 0.000 1.152 408 A CA 0.898 52.865 52.037 -0.117 0.000 0.716 408 A CB -0.452 18.503 19.000 -0.075 0.000 0.794 408 A HN 0.469 nan 8.150 nan 0.000 0.465 409 G N -1.445 107.226 108.800 -0.216 0.000 2.137 409 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.237 409 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.237 409 G C 0.693 175.378 174.900 -0.359 0.000 1.002 409 G CA 0.791 45.736 45.100 -0.258 0.000 0.702 409 G HN 1.641 nan 8.290 nan 0.000 0.515 410 V N -2.656 117.083 119.914 -0.292 0.000 3.271 410 V HA 0.371 4.491 4.120 -0.000 0.000 0.327 410 V C 0.398 176.414 176.094 -0.131 0.000 1.389 410 V CA -0.314 61.795 62.300 -0.319 0.000 1.156 410 V CB 0.211 31.877 31.823 -0.261 0.000 1.103 410 V HN 0.111 nan 8.190 nan 0.000 0.453 411 D N 2.357 122.727 120.400 -0.049 0.000 2.488 411 D HA 0.401 5.041 4.640 -0.000 0.000 0.238 411 D C 1.519 177.887 176.300 0.113 0.000 1.138 411 D CA 2.010 56.052 54.000 0.070 0.000 0.873 411 D CB 1.056 41.921 40.800 0.109 0.000 1.183 411 D HN 0.583 nan 8.370 nan 0.000 0.458 412 G N 2.137 111.082 108.800 0.242 0.000 2.205 412 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 412 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 412 G C 1.128 176.086 174.900 0.096 0.000 0.980 412 G CA 0.247 45.489 45.100 0.237 0.000 0.632 412 G HN 0.461 nan 8.290 nan 0.000 0.533 413 K N -0.510 119.928 120.400 0.063 0.000 2.380 413 K HA 0.437 4.757 4.320 -0.000 0.000 0.198 413 K C 0.554 177.221 176.600 0.112 0.000 1.070 413 K CA 0.371 56.700 56.287 0.070 0.000 1.040 413 K CB 1.422 33.920 32.500 -0.003 0.000 0.903 413 K HN 0.364 nan 8.250 nan 0.000 0.549 414 V N 1.700 121.674 119.914 0.100 0.000 2.448 414 V HA 0.299 4.419 4.120 -0.000 0.000 0.295 414 V C -0.473 175.722 176.094 0.167 0.000 1.025 414 V CA -0.676 61.718 62.300 0.157 0.000 0.859 414 V CB 1.892 33.755 31.823 0.066 0.000 0.988 414 V HN -0.031 nan 8.190 nan 0.000 0.431 415 S N 3.718 119.557 115.700 0.231 0.000 2.566 415 S HA 0.868 5.338 4.470 -0.000 0.000 0.324 415 S C -0.176 174.548 174.600 0.206 0.000 1.081 415 S CA -0.348 57.979 58.200 0.212 0.000 1.105 415 S CB 1.394 64.741 63.200 0.245 0.000 0.981 415 S HN 1.106 nan 8.310 nan 0.000 0.464 416 A N 2.885 125.781 122.820 0.126 0.000 2.604 416 A HA 0.785 5.105 4.320 -0.000 0.000 0.295 416 A C -1.308 176.298 177.584 0.037 0.000 1.067 416 A CA -0.887 51.163 52.037 0.021 0.000 0.683 416 A CB 1.328 20.341 19.000 0.021 0.000 1.281 416 A HN 0.467 nan 8.150 nan 0.000 0.407 417 K N 1.153 121.555 120.400 0.004 0.000 2.183 417 K HA 0.598 4.918 4.320 -0.000 0.000 0.274 417 K C 0.370 176.992 176.600 0.037 0.000 1.009 417 K CA 0.322 56.633 56.287 0.040 0.000 0.888 417 K CB 0.821 33.360 32.500 0.065 0.000 1.078 417 K HN 0.896 nan 8.250 nan 0.000 0.459 418 T N 0.025 114.603 114.554 0.040 0.000 2.899 418 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 418 T C 0.356 175.071 174.700 0.026 0.000 1.004 418 T CA -0.770 61.355 62.100 0.041 0.000 1.043 418 T CB 1.463 70.345 68.868 0.022 0.000 1.013 418 T HN 0.528 nan 8.240 nan 0.000 0.518 419 G N 0.804 109.613 108.800 0.016 0.000 2.845 419 G HA2 0.526 4.485 3.960 -0.000 0.000 0.282 419 G HA3 0.526 4.485 3.960 -0.000 0.000 0.282 419 G C -0.956 173.886 174.900 -0.096 0.000 1.546 419 G CA -0.672 44.406 45.100 -0.037 0.000 1.089 419 G HN 0.760 nan 8.290 nan 0.000 0.558 420 S N 0.937 116.546 115.700 -0.150 0.000 2.500 420 S HA 0.845 5.315 4.470 -0.000 0.000 0.301 420 S C -0.543 173.893 174.600 -0.273 0.000 1.092 420 S CA -0.488 57.558 58.200 -0.257 0.000 1.030 420 S CB 1.853 64.911 63.200 -0.237 0.000 1.031 420 S HN 0.544 nan 8.310 nan 0.000 0.483 421 L N 1.292 122.315 121.223 -0.334 0.000 2.600 421 L HA 0.454 4.794 4.340 -0.000 0.000 0.257 421 L C -0.488 176.210 176.870 -0.287 0.000 1.048 421 L CA -0.709 53.969 54.840 -0.269 0.000 0.869 421 L CB 1.939 43.874 42.059 -0.207 0.000 1.482 421 L HN 0.618 nan 8.230 nan 0.000 0.408 422 Q N 0.617 120.301 119.800 -0.194 0.000 2.262 422 Q HA 0.298 4.638 4.340 -0.000 0.000 0.298 422 Q C 0.954 176.896 176.000 -0.096 0.000 1.083 422 Q CA 1.479 57.206 55.803 -0.126 0.000 0.962 422 Q CB 0.229 28.924 28.738 -0.071 0.000 1.104 422 Q HN 0.821 nan 8.270 nan 0.000 0.376 423 G N 2.340 111.118 108.800 -0.036 0.000 2.159 423 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.256 423 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.256 423 G C -0.311 174.612 174.900 0.038 0.000 0.977 423 G CA 0.087 45.251 45.100 0.107 0.000 0.652 423 G HN 0.600 nan 8.290 nan 0.000 0.531 424 V N -0.082 119.684 119.914 -0.248 0.000 2.531 424 V HA 0.660 4.780 4.120 -0.000 0.000 0.301 424 V C -0.696 175.091 176.094 -0.513 0.000 1.034 424 V CA -0.828 61.340 62.300 -0.220 0.000 0.865 424 V CB 1.718 33.433 31.823 -0.179 0.000 0.995 424 V HN 0.246 nan 8.190 nan 0.000 0.424 425 Y N 2.873 123.160 120.300 -0.023 0.000 2.535 425 Y HA 0.402 4.952 4.550 -0.000 0.000 0.351 425 Y C 0.500 176.439 175.900 0.064 0.000 1.050 425 Y CA -0.428 57.656 58.100 -0.027 0.000 1.168 425 Y CB 0.838 39.228 38.460 -0.117 0.000 1.116 425 Y HN 0.613 nan 8.280 nan 0.000 0.654 426 N N 2.270 121.063 118.700 0.155 0.000 2.509 426 N HA 0.665 5.405 4.740 -0.000 0.000 0.287 426 N C -1.276 174.378 175.510 0.240 0.000 1.121 426 N CA -0.551 52.653 53.050 0.256 0.000 0.977 426 N CB 1.477 40.080 38.487 0.193 0.000 1.167 426 N HN 0.285 nan 8.380 nan 0.000 0.476 427 L N 1.460 122.858 121.223 0.291 0.000 2.436 427 L HA 0.673 5.012 4.340 -0.000 0.000 0.268 427 L C -1.236 175.665 176.870 0.052 0.000 0.974 427 L CA -0.639 54.327 54.840 0.210 0.000 0.826 427 L CB 1.866 44.143 42.059 0.363 0.000 1.291 427 L HN 0.596 nan 8.230 nan 0.000 0.406 428 A N 2.486 125.210 122.820 -0.160 0.000 2.381 428 A HA 0.955 5.275 4.320 -0.000 0.000 0.299 428 A C -0.221 176.963 177.584 -0.668 0.000 1.049 428 A CA 0.281 52.049 52.037 -0.448 0.000 0.715 428 A CB 1.784 20.656 19.000 -0.213 0.000 1.222 428 A HN 0.899 nan 8.150 nan 0.000 0.428 429 G N 0.485 108.543 108.800 -1.237 0.000 2.566 429 G HA2 0.504 4.464 3.960 -0.000 0.000 0.138 429 G HA3 0.504 4.464 3.960 -0.000 0.000 0.138 429 G C -1.552 172.575 174.900 -1.287 0.000 1.133 429 G CA -0.392 44.039 45.100 -1.115 0.000 1.037 429 G HN 0.797 nan 8.290 nan 0.000 0.491 430 F N 0.051 119.961 119.950 -0.067 0.000 2.588 430 F HA 0.816 5.343 4.527 -0.000 0.000 0.310 430 F C -0.148 175.887 175.800 0.393 0.000 1.082 430 F CA -0.792 57.326 58.000 0.196 0.000 0.929 430 F CB 2.541 41.604 39.000 0.105 0.000 1.254 430 F HN 0.474 nan 8.300 nan 0.000 0.455 431 I N 0.808 121.706 120.570 0.547 0.000 2.582 431 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 431 I C -1.035 175.249 176.117 0.279 0.000 1.066 431 I CA -0.136 61.377 61.300 0.356 0.000 1.053 431 I CB 1.985 40.135 38.000 0.250 0.000 1.241 431 I HN 0.547 nan 8.210 nan 0.000 0.421 432 T N 5.336 120.033 114.554 0.237 0.000 2.767 432 T HA 0.354 4.704 4.350 -0.000 0.000 0.288 432 T C 0.129 174.989 174.700 0.266 0.000 0.963 432 T CA -0.374 61.846 62.100 0.199 0.000 1.019 432 T CB 0.907 69.868 68.868 0.156 0.000 0.923 432 T HN 0.747 nan 8.240 nan 0.000 0.468 433 T N 0.471 115.110 114.554 0.141 0.000 2.824 433 T HA 0.572 4.921 4.350 -0.000 0.000 0.277 433 T C 1.892 176.411 174.700 -0.302 0.000 0.975 433 T CA -0.376 61.706 62.100 -0.029 0.000 0.966 433 T CB 0.791 69.607 68.868 -0.086 0.000 1.054 433 T HN 0.465 nan 8.240 nan 0.000 0.533 434 A N 1.121 123.373 122.820 -0.948 0.000 1.958 434 A HA -0.103 4.217 4.320 -0.000 0.000 0.221 434 A C 2.384 179.805 177.584 -0.272 0.000 1.178 434 A CA 2.304 53.884 52.037 -0.761 0.000 0.642 434 A CB -1.474 17.069 19.000 -0.762 0.000 0.816 434 A HN 1.223 nan 8.150 nan 0.000 0.453 435 S N -2.146 113.433 115.700 -0.201 0.000 2.631 435 S HA 0.409 4.879 4.470 -0.000 0.000 0.217 435 S C 1.288 175.856 174.600 -0.053 0.000 0.958 435 S CA 0.902 59.043 58.200 -0.099 0.000 0.920 435 S CB -0.225 62.926 63.200 -0.081 0.000 0.776 435 S HN 1.961 nan 8.310 nan 0.000 0.517 436 G N 1.585 110.361 108.800 -0.040 0.000 2.143 436 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.249 436 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.249 436 G C -0.153 174.755 174.900 0.013 0.000 0.981 436 G CA 0.192 45.295 45.100 0.005 0.000 0.665 436 G HN 0.916 nan 8.290 nan 0.000 0.528 437 Q N -0.539 119.267 119.800 0.009 0.000 2.259 437 Q HA 0.675 5.015 4.340 -0.000 0.000 0.246 437 Q C 0.230 176.265 176.000 0.059 0.000 0.920 437 Q CA -0.887 54.930 55.803 0.024 0.000 0.895 437 Q CB 1.228 29.975 28.738 0.015 0.000 1.220 437 Q HN 0.388 nan 8.270 nan 0.000 0.439 438 R N 3.184 123.725 120.500 0.068 0.000 2.312 438 R HA 0.438 4.778 4.340 -0.000 0.000 0.311 438 R C -0.951 175.444 176.300 0.158 0.000 1.004 438 R CA -0.286 55.884 56.100 0.117 0.000 0.902 438 R CB 0.888 31.236 30.300 0.079 0.000 1.073 438 R HN 0.789 nan 8.270 nan 0.000 0.457 439 M N 3.038 122.774 119.600 0.226 0.000 2.456 439 M HA 0.447 4.927 4.480 -0.000 0.000 0.324 439 M C -0.561 175.954 176.300 0.359 0.000 1.124 439 M CA -0.924 54.521 55.300 0.243 0.000 0.959 439 M CB 2.298 35.011 32.600 0.189 0.000 1.692 439 M HN 0.684 nan 8.290 nan 0.000 0.444 440 A N 2.845 125.837 122.820 0.286 0.000 2.303 440 A HA 0.913 5.233 4.320 -0.000 0.000 0.317 440 A C -1.069 176.613 177.584 0.162 0.000 1.149 440 A CA -0.429 51.689 52.037 0.134 0.000 0.822 440 A CB 0.424 19.465 19.000 0.070 0.000 1.131 440 A HN 0.793 nan 8.150 nan 0.000 0.493 441 F N -0.242 119.641 119.950 -0.111 0.000 2.601 441 F HA 0.735 5.262 4.527 -0.000 0.000 0.309 441 F C -1.314 174.425 175.800 -0.102 0.000 1.089 441 F CA -1.173 56.803 58.000 -0.041 0.000 0.940 441 F CB 1.555 40.603 39.000 0.081 0.000 1.273 441 F HN 0.287 nan 8.300 nan 0.000 0.450 442 V N 2.894 122.817 119.914 0.016 0.000 2.482 442 V HA 0.392 4.512 4.120 -0.000 0.000 0.295 442 V C -1.007 175.088 176.094 0.001 0.000 1.026 442 V CA -0.517 61.674 62.300 -0.181 0.000 0.856 442 V CB 1.502 33.084 31.823 -0.400 0.000 1.001 442 V HN 0.920 nan 8.190 nan 0.000 0.424 443 Q N 5.007 124.887 119.800 0.132 0.000 2.425 443 Q HA 0.436 4.776 4.340 -0.000 0.000 0.254 443 Q C -1.793 174.409 176.000 0.337 0.000 1.032 443 Q CA -0.472 55.505 55.803 0.290 0.000 0.798 443 Q CB 1.023 30.051 28.738 0.484 0.000 1.210 443 Q HN 0.801 nan 8.270 nan 0.000 0.491 444 Y N 4.580 124.990 120.300 0.183 0.000 2.369 444 Y HA 0.411 4.961 4.550 -0.000 0.000 0.337 444 Y C -0.483 175.496 175.900 0.131 0.000 0.961 444 Y CA -1.007 57.173 58.100 0.133 0.000 1.186 444 Y CB 1.380 39.899 38.460 0.099 0.000 1.139 444 Y HN 0.505 nan 8.280 nan 0.000 0.494 445 L N 5.057 126.446 121.223 0.277 0.000 2.404 445 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 445 L C -0.759 176.212 176.870 0.167 0.000 0.980 445 L CA -0.129 54.824 54.840 0.189 0.000 0.836 445 L CB 1.309 43.465 42.059 0.161 0.000 1.238 445 L HN 0.659 nan 8.230 nan 0.000 0.408 446 S N 1.716 117.498 115.700 0.136 0.000 2.806 446 S HA 0.767 5.237 4.470 -0.000 0.000 0.306 446 S C 0.664 175.341 174.600 0.129 0.000 1.167 446 S CA -0.058 58.209 58.200 0.113 0.000 0.847 446 S CB 1.612 64.838 63.200 0.043 0.000 1.216 446 S HN 1.256 nan 8.310 nan 0.000 0.532 447 G N -0.225 108.634 108.800 0.098 0.000 2.212 447 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 447 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 447 G C -0.033 174.938 174.900 0.119 0.000 1.002 447 G CA 0.792 45.939 45.100 0.079 0.000 0.729 447 G HN 1.166 nan 8.290 nan 0.000 0.517 448 Y N 0.845 121.194 120.300 0.083 0.000 3.096 448 Y HA 0.410 4.960 4.550 -0.000 0.000 0.377 448 Y C 1.667 177.638 175.900 0.118 0.000 1.107 448 Y CA -0.059 58.109 58.100 0.114 0.000 2.045 448 Y CB -0.453 38.143 38.460 0.226 0.000 2.203 448 Y HN 0.405 nan 8.280 nan 0.000 0.408 449 A N 2.189 125.055 122.820 0.075 0.000 2.543 449 A HA 0.457 4.777 4.320 -0.000 0.000 0.258 449 A C 0.686 178.210 177.584 -0.099 0.000 1.391 449 A CA 0.351 52.408 52.037 0.033 0.000 1.066 449 A CB -1.091 17.918 19.000 0.014 0.000 0.972 449 A HN 0.533 nan 8.150 nan 0.000 0.560 460 I N -0.568 120.049 120.570 0.079 0.000 3.746 460 I HA 0.161 4.331 4.170 -0.000 0.000 0.262 460 I C -1.165 175.001 176.117 0.082 0.000 1.153 460 I CA -0.546 60.790 61.300 0.060 0.000 1.395 460 I CB 0.098 38.129 38.000 0.051 0.000 1.589 460 I HN -0.004 nan 8.210 nan 0.000 0.441 461 P HA -0.175 nan 4.420 nan 0.000 0.215 461 P C 1.852 179.259 177.300 0.179 0.000 1.153 461 P CA 1.268 64.467 63.100 0.165 0.000 0.853 461 P CB 0.135 31.939 31.700 0.175 0.000 0.788 462 L N -0.452 120.835 121.223 0.107 0.000 2.012 462 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 462 L C 2.182 179.031 176.870 -0.034 0.000 1.073 462 L CA 1.895 56.637 54.840 -0.164 0.000 0.748 462 L CB -1.176 40.409 42.059 -0.790 0.000 0.891 462 L HN -0.197 nan 8.230 nan 0.000 0.431 463 V N -0.431 119.450 119.914 -0.055 0.000 2.287 463 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 463 V C 2.780 178.877 176.094 0.004 0.000 1.053 463 V CA 2.003 64.282 62.300 -0.036 0.000 1.027 463 V CB -0.744 31.058 31.823 -0.035 0.000 0.646 463 V HN 0.392 nan 8.190 nan 0.000 0.447 464 R N -0.610 119.914 120.500 0.040 0.000 2.096 464 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 464 R C 2.018 178.349 176.300 0.051 0.000 1.127 464 R CA 1.600 57.726 56.100 0.043 0.000 0.968 464 R CB -0.899 29.440 30.300 0.064 0.000 0.861 464 R HN 0.608 nan 8.270 nan 0.000 0.440 465 F N 1.198 121.123 119.950 -0.042 0.000 2.084 465 F HA -0.140 4.387 4.527 -0.000 0.000 0.296 465 F C 1.791 177.504 175.800 -0.145 0.000 1.111 465 F CA 1.555 59.515 58.000 -0.066 0.000 1.224 465 F CB 0.010 38.996 39.000 -0.023 0.000 0.991 465 F HN 0.025 nan 8.300 nan 0.000 0.471 466 E N -0.210 119.926 120.200 -0.107 0.000 2.106 466 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 466 E C 2.311 178.822 176.600 -0.149 0.000 0.984 466 E CA 1.206 57.528 56.400 -0.130 0.000 0.806 466 E CB -0.178 29.607 29.700 0.141 0.000 0.750 466 E HN 0.357 nan 8.360 nan 0.000 0.458 467 S N 0.764 116.383 115.700 -0.134 0.000 2.353 467 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 467 S C 1.878 176.339 174.600 -0.233 0.000 1.035 467 S CA 1.127 59.247 58.200 -0.132 0.000 1.025 467 S CB -0.161 62.986 63.200 -0.088 0.000 0.902 467 S HN 0.226 nan 8.310 nan 0.000 0.440 468 R N 0.191 120.488 120.500 -0.339 0.000 2.066 468 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 468 R C 2.410 178.182 176.300 -0.880 0.000 1.131 468 R CA 1.203 57.009 56.100 -0.490 0.000 0.955 468 R CB -0.628 29.415 30.300 -0.428 0.000 0.851 468 R HN 0.289 nan 8.270 nan 0.000 0.432 469 L N 0.041 120.552 121.223 -1.187 0.000 1.994 469 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 469 L C 1.855 178.129 176.870 -0.993 0.000 1.071 469 L CA 1.770 55.770 54.840 -1.399 0.000 0.745 469 L CB -0.703 40.373 42.059 -1.639 0.000 0.892 469 L HN 0.107 nan 8.230 nan 0.000 0.431 470 Y N -0.109 119.897 120.300 -0.491 0.000 2.242 470 Y HA -0.206 4.344 4.550 -0.000 0.000 0.291 470 Y C 2.684 178.459 175.900 -0.209 0.000 1.137 470 Y CA 1.686 59.579 58.100 -0.344 0.000 1.181 470 Y CB -0.409 37.851 38.460 -0.334 0.000 0.989 470 Y HN 0.233 nan 8.280 nan 0.000 0.527 471 K N 0.553 120.877 120.400 -0.127 0.000 2.009 471 K HA -0.263 4.056 4.320 -0.000 0.000 0.210 471 K C 1.871 178.456 176.600 -0.024 0.000 1.049 471 K CA 2.053 58.311 56.287 -0.048 0.000 0.929 471 K CB -0.341 32.111 32.500 -0.080 0.000 0.714 471 K HN 0.217 nan 8.250 nan 0.000 0.440 472 D N 0.553 120.871 120.400 -0.136 0.000 2.106 472 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 472 D C 1.825 178.095 176.300 -0.051 0.000 0.997 472 D CA 1.726 55.681 54.000 -0.076 0.000 0.834 472 D CB -0.142 40.617 40.800 -0.069 0.000 0.956 472 D HN 0.336 nan 8.370 nan 0.000 0.448 473 I N -0.631 119.879 120.570 -0.101 0.000 2.226 473 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 473 I C 2.216 178.350 176.117 0.029 0.000 1.100 473 I CA 1.127 62.399 61.300 -0.047 0.000 1.374 473 I CB -0.418 37.527 38.000 -0.093 0.000 1.057 473 I HN 0.135 nan 8.210 nan 0.000 0.413 474 Y N 2.032 122.302 120.300 -0.050 0.000 2.163 474 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 474 Y C 2.659 178.550 175.900 -0.015 0.000 1.136 474 Y CA 1.953 60.042 58.100 -0.017 0.000 1.147 474 Y CB -0.326 38.125 38.460 -0.015 0.000 0.987 474 Y HN 0.302 nan 8.280 nan 0.000 0.509 475 Q N -1.276 118.472 119.800 -0.086 0.000 2.398 475 Q HA 0.017 4.357 4.340 -0.000 0.000 0.204 475 Q C 0.714 176.641 176.000 -0.122 0.000 0.932 475 Q CA 1.003 56.703 55.803 -0.171 0.000 0.916 475 Q CB -0.105 28.625 28.738 -0.013 0.000 1.024 475 Q HN 0.294 nan 8.270 nan 0.000 0.504 476 N N 0.639 119.295 118.700 -0.073 0.000 2.268 476 N HA 0.176 4.916 4.740 -0.000 0.000 0.204 476 N C -0.686 174.793 175.510 -0.052 0.000 1.124 476 N CA 0.098 53.118 53.050 -0.050 0.000 0.838 476 N CB 0.342 38.817 38.487 -0.020 0.000 0.994 476 N HN 0.282 nan 8.380 nan 0.000 0.489 477 N N 0.000 118.654 118.700 -0.077 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.015 53.050 -0.058 0.000 0.885 477 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667