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 1yzy_1_A DATA FIRST_RESID 1 DATA SEQUENCE LGVIADDFTG ASDIASFLVE NGLSTVQMNG VPTQSLNSKV DAIVISLKSR DATA SEQUENCE SNPVNEAIEQ SLRAYQWLKE NGCTQFYFKY CSTFDSTAKG NIGPVTDALL DATA SEQUENCE DELNEDFTVI TPALPVNGRT IFNGYLFVGD VLLSESGMKN HPITPMVDAN DATA SEQUENCE LMRLMDAQAK GKTGLVAYAD VIKGASRVQE CFAELKAQGY RYAVVDAVDN DATA SEQUENCE SQLEVLAEAV ADFKLVTGGS GLGAYMAARL SGGKKGTNAF TPTKGKTVVL DATA SEQUENCE SGSCSVMTNK QVEKYREKAP HFQLDVEQAI HNENYIEQLY QWVIANLDSE DATA SEQUENCE FAPMVYATVP PDALKAIQHQ FGVDQASHAI ENTFAKLAAK LKQYGVTNFI DATA SEQUENCE TAGGETSSIV VQELGFTGFH IGKQIAPGVP WLKAVEEDIF LALKSGNFGK DATA SEQUENCE EDFFEYAQGM FL 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.822 176.870 -0.080 0.000 1.165 1 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 1 L CB 0.000 42.034 42.059 -0.042 0.000 0.961 2 G N 3.970 112.690 108.800 -0.133 0.000 2.384 2 G HA2 0.605 4.565 3.960 -0.000 0.000 0.316 2 G HA3 0.605 4.565 3.960 -0.000 0.000 0.316 2 G C -1.168 173.863 174.900 0.219 0.000 1.160 2 G CA -0.509 44.630 45.100 0.065 0.000 0.936 2 G HN 0.485 nan 8.290 nan 0.000 0.455 3 V N 3.814 123.850 119.914 0.205 0.000 2.472 3 V HA 0.434 4.554 4.120 -0.000 0.000 0.290 3 V C 0.056 176.313 176.094 0.273 0.000 1.037 3 V CA -0.574 61.871 62.300 0.241 0.000 0.908 3 V CB 1.601 33.480 31.823 0.094 0.000 0.985 3 V HN 0.628 nan 8.190 nan 0.000 0.454 4 I N 4.333 125.108 120.570 0.341 0.000 2.405 4 I HA 0.573 4.743 4.170 -0.000 0.000 0.280 4 I C 0.375 176.702 176.117 0.351 0.000 1.027 4 I CA -0.313 61.172 61.300 0.309 0.000 1.161 4 I CB 1.361 39.534 38.000 0.289 0.000 1.300 4 I HN 0.684 nan 8.210 nan 0.000 0.463 5 A N 4.410 127.378 122.820 0.247 0.000 2.310 5 A HA 0.340 4.660 4.320 -0.000 0.000 0.299 5 A C 0.767 178.487 177.584 0.227 0.000 1.147 5 A CA -0.583 51.585 52.037 0.217 0.000 0.818 5 A CB 0.458 19.532 19.000 0.124 0.000 1.096 5 A HN 0.773 nan 8.150 nan 0.000 0.495 6 D N 1.183 121.729 120.400 0.243 0.000 2.328 6 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 6 D C -0.249 176.145 176.300 0.156 0.000 1.066 6 D CA 0.537 54.672 54.000 0.226 0.000 0.861 6 D CB 0.126 41.092 40.800 0.276 0.000 0.912 6 D HN 0.562 nan 8.370 nan 0.000 0.521 7 D N -1.796 118.691 120.400 0.145 0.000 2.694 7 D HA -0.007 4.633 4.640 -0.000 0.000 0.260 7 D C -0.270 176.131 176.300 0.168 0.000 1.250 7 D CA -0.820 53.272 54.000 0.152 0.000 0.763 7 D CB -0.088 40.790 40.800 0.130 0.000 1.311 7 D HN -0.155 nan 8.370 nan 0.000 0.420 8 F N 1.238 121.227 119.950 0.064 0.000 2.084 8 F HA -0.075 4.452 4.527 0.000 0.000 0.296 8 F C 2.253 178.090 175.800 0.062 0.000 1.111 8 F CA 2.401 60.438 58.000 0.062 0.000 1.224 8 F CB -0.511 38.521 39.000 0.054 0.000 0.991 8 F HN 0.467 nan 8.300 nan 0.000 0.471 9 T N -0.249 114.327 114.554 0.036 0.000 2.699 9 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 9 T C 2.169 176.817 174.700 -0.087 0.000 1.036 9 T CA 1.493 63.570 62.100 -0.037 0.000 1.147 9 T CB -1.314 67.606 68.868 0.087 0.000 0.862 9 T HN 0.454 nan 8.240 nan 0.000 0.446 10 G N 0.999 109.784 108.800 -0.025 0.000 2.402 10 G HA2 0.019 3.979 3.960 -0.000 0.000 0.216 10 G HA3 0.019 3.979 3.960 -0.000 0.000 0.216 10 G C 1.847 176.716 174.900 -0.052 0.000 1.162 10 G CA 0.814 45.907 45.100 -0.011 0.000 0.777 10 G HN 0.597 nan 8.290 nan 0.000 0.539 11 A N 0.790 123.556 122.820 -0.089 0.000 1.902 11 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 11 A C 2.704 180.183 177.584 -0.174 0.000 1.181 11 A CA 2.263 54.240 52.037 -0.100 0.000 0.623 11 A CB -0.623 18.330 19.000 -0.078 0.000 0.818 11 A HN 0.303 nan 8.150 nan 0.000 0.443 12 S N -0.473 115.029 115.700 -0.331 0.000 2.368 12 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 12 S C 1.764 176.254 174.600 -0.185 0.000 1.029 12 S CA 1.502 59.516 58.200 -0.310 0.000 0.988 12 S CB -0.423 62.512 63.200 -0.441 0.000 0.838 12 S HN 0.745 nan 8.310 nan 0.000 0.462 13 D N 1.154 121.468 120.400 -0.143 0.000 2.087 13 D HA -0.091 4.549 4.640 -0.000 0.000 0.192 13 D C 1.816 178.125 176.300 0.015 0.000 0.993 13 D CA 1.119 55.069 54.000 -0.082 0.000 0.828 13 D CB -0.213 40.586 40.800 -0.001 0.000 0.968 13 D HN 0.317 nan 8.370 nan 0.000 0.448 14 I N -0.242 120.357 120.570 0.048 0.000 2.286 14 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 14 I C 2.047 178.177 176.117 0.022 0.000 1.115 14 I CA 1.155 62.499 61.300 0.073 0.000 1.392 14 I CB -0.103 37.860 38.000 -0.063 0.000 1.065 14 I HN 0.107 nan 8.210 nan 0.000 0.418 15 A N -0.508 122.291 122.820 -0.035 0.000 1.933 15 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 15 A C 2.412 179.966 177.584 -0.049 0.000 1.175 15 A CA 2.110 54.125 52.037 -0.037 0.000 0.628 15 A CB -0.827 18.148 19.000 -0.040 0.000 0.814 15 A HN 0.463 nan 8.150 nan 0.000 0.444 16 S N -1.290 114.346 115.700 -0.108 0.000 2.383 16 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 16 S C 1.595 176.089 174.600 -0.177 0.000 1.026 16 S CA 1.153 59.244 58.200 -0.181 0.000 0.981 16 S CB -0.457 62.561 63.200 -0.302 0.000 0.818 16 S HN 0.516 nan 8.310 nan 0.000 0.472 17 F N 1.874 121.756 119.950 -0.114 0.000 2.134 17 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 17 F C 1.942 177.667 175.800 -0.125 0.000 1.097 17 F CA 0.811 58.736 58.000 -0.125 0.000 1.264 17 F CB -0.607 38.311 39.000 -0.136 0.000 1.001 17 F HN 0.154 nan 8.300 nan 0.000 0.479 18 L N -1.252 120.016 121.223 0.074 0.000 2.083 18 L HA -0.201 4.138 4.340 -0.000 0.000 0.209 18 L C 2.277 179.149 176.870 0.003 0.000 1.083 18 L CA 0.690 55.534 54.840 0.007 0.000 0.752 18 L CB -0.839 41.207 42.059 -0.022 0.000 0.899 18 L HN -0.039 nan 8.230 nan 0.000 0.433 19 V N -0.802 119.108 119.914 -0.006 0.000 2.379 19 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 19 V C 2.246 178.325 176.094 -0.025 0.000 1.044 19 V CA 1.272 63.564 62.300 -0.013 0.000 1.036 19 V CB -0.368 31.437 31.823 -0.031 0.000 0.664 19 V HN 0.366 nan 8.190 nan 0.000 0.453 20 E N 0.532 120.707 120.200 -0.042 0.000 2.515 20 E HA -0.061 4.289 4.350 -0.000 0.000 0.201 20 E C 0.829 177.419 176.600 -0.018 0.000 1.071 20 E CA 0.411 56.784 56.400 -0.044 0.000 0.880 20 E CB -0.250 29.398 29.700 -0.087 0.000 0.828 20 E HN 0.574 nan 8.360 nan 0.000 0.540 21 N N -0.403 118.290 118.700 -0.010 0.000 2.416 21 N HA 0.106 4.846 4.740 -0.000 0.000 0.267 21 N C 0.529 176.030 175.510 -0.014 0.000 1.294 21 N CA 0.477 53.513 53.050 -0.024 0.000 0.891 21 N CB 1.507 39.963 38.487 -0.051 0.000 1.238 21 N HN 0.149 nan 8.380 nan 0.000 0.508 22 G N 0.750 109.548 108.800 -0.003 0.000 2.162 22 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 22 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 22 G C -0.243 174.669 174.900 0.019 0.000 0.976 22 G CA -0.023 45.082 45.100 0.009 0.000 0.655 22 G HN 0.232 nan 8.290 nan 0.000 0.533 23 L N 2.149 123.383 121.223 0.017 0.000 2.282 23 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 23 L C 1.136 178.036 176.870 0.050 0.000 1.033 23 L CA -0.353 54.503 54.840 0.027 0.000 0.807 23 L CB 1.604 43.670 42.059 0.012 0.000 1.209 23 L HN 0.455 nan 8.230 nan 0.000 0.423 24 S N 1.723 117.466 115.700 0.072 0.000 2.498 24 S HA 0.473 4.943 4.470 -0.000 0.000 0.281 24 S C 0.109 174.773 174.600 0.107 0.000 1.265 24 S CA -0.572 57.699 58.200 0.120 0.000 1.071 24 S CB 0.051 63.335 63.200 0.140 0.000 0.894 24 S HN 0.628 nan 8.310 nan 0.000 0.491 25 T N 2.826 117.457 114.554 0.128 0.000 2.876 25 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 25 T C -0.774 173.977 174.700 0.085 0.000 1.014 25 T CA -0.655 61.498 62.100 0.088 0.000 0.986 25 T CB 1.594 70.497 68.868 0.058 0.000 1.021 25 T HN 0.569 nan 8.240 nan 0.000 0.458 26 V N 2.867 122.797 119.914 0.027 0.000 2.483 26 V HA 0.443 4.563 4.120 -0.000 0.000 0.297 26 V C -0.337 175.777 176.094 0.032 0.000 1.027 26 V CA -0.749 61.528 62.300 -0.038 0.000 0.855 26 V CB 1.709 33.442 31.823 -0.150 0.000 0.995 26 V HN 0.851 nan 8.190 nan 0.000 0.424 27 Q N 5.311 125.153 119.800 0.070 0.000 2.400 27 Q HA 0.477 4.817 4.340 -0.000 0.000 0.255 27 Q C -1.015 175.037 176.000 0.087 0.000 1.008 27 Q CA -0.757 55.100 55.803 0.089 0.000 0.841 27 Q CB 1.103 29.906 28.738 0.109 0.000 1.220 27 Q HN 0.572 nan 8.270 nan 0.000 0.474 28 M N 2.974 122.585 119.600 0.019 0.000 2.188 28 M HA 0.302 4.782 4.480 -0.000 0.000 0.357 28 M C -0.591 175.715 176.300 0.010 0.000 1.204 28 M CA -0.435 54.829 55.300 -0.061 0.000 1.095 28 M CB 0.901 33.357 32.600 -0.240 0.000 1.604 28 M HN 0.456 nan 8.290 nan 0.000 0.464 29 N N 2.775 121.499 118.700 0.039 0.000 2.500 29 N HA 0.537 5.277 4.740 -0.000 0.000 0.236 29 N C 0.493 176.008 175.510 0.007 0.000 1.022 29 N CA 0.266 53.380 53.050 0.107 0.000 0.935 29 N CB 0.920 39.515 38.487 0.180 0.000 1.147 29 N HN 0.933 nan 8.380 nan 0.000 0.512 30 G N -0.061 108.738 108.800 -0.002 0.000 2.699 30 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 30 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 30 G C -0.644 174.174 174.900 -0.137 0.000 1.301 30 G CA -0.993 44.080 45.100 -0.044 0.000 0.816 30 G HN 0.300 nan 8.290 nan 0.000 0.595 31 V N 2.795 122.627 119.914 -0.137 0.000 2.485 31 V HA 0.310 4.430 4.120 -0.000 0.000 0.287 31 V C -1.091 174.793 176.094 -0.350 0.000 1.022 31 V CA -0.348 61.808 62.300 -0.240 0.000 1.067 31 V CB 0.790 32.547 31.823 -0.111 0.000 0.967 31 V HN 0.682 nan 8.190 nan 0.000 0.479 32 P HA 0.190 nan 4.420 nan 0.000 0.271 32 P C 0.845 177.953 177.300 -0.320 0.000 1.218 32 P CA -0.175 62.565 63.100 -0.600 0.000 0.780 32 P CB 0.588 31.663 31.700 -1.042 0.000 0.901 33 T N -2.239 112.247 114.554 -0.112 0.000 3.060 33 T HA 0.121 4.471 4.350 -0.000 0.000 0.249 33 T C 0.504 175.260 174.700 0.094 0.000 1.079 33 T CA 0.150 62.256 62.100 0.009 0.000 1.013 33 T CB 0.022 68.887 68.868 -0.004 0.000 0.975 33 T HN 0.229 nan 8.240 nan 0.000 0.518 34 Q N 1.394 121.267 119.800 0.122 0.000 2.377 34 Q HA 0.555 4.895 4.340 -0.000 0.000 0.271 34 Q C -0.600 175.604 176.000 0.340 0.000 1.077 34 Q CA -0.428 55.477 55.803 0.171 0.000 0.820 34 Q CB 2.427 31.221 28.738 0.093 0.000 1.347 34 Q HN 0.247 nan 8.270 nan 0.000 0.444 35 S N 1.045 116.900 115.700 0.258 0.000 2.576 35 S HA 0.106 4.576 4.470 -0.000 0.000 0.272 35 S C 0.101 174.840 174.600 0.232 0.000 1.352 35 S CA -0.448 57.877 58.200 0.208 0.000 1.021 35 S CB 0.222 63.442 63.200 0.034 0.000 0.887 35 S HN 0.401 nan 8.310 nan 0.000 0.542 36 L N 2.766 124.097 121.223 0.180 0.000 2.268 36 L HA 0.357 4.697 4.340 -0.000 0.000 0.289 36 L C 0.728 177.630 176.870 0.054 0.000 1.064 36 L CA -0.093 54.850 54.840 0.170 0.000 0.824 36 L CB 0.126 42.310 42.059 0.209 0.000 1.202 36 L HN 0.587 nan 8.230 nan 0.000 0.433 37 N N 1.575 120.310 118.700 0.059 0.000 2.515 37 N HA -0.009 4.731 4.740 -0.000 0.000 0.191 37 N C -0.121 175.411 175.510 0.037 0.000 1.182 37 N CA 0.323 53.393 53.050 0.032 0.000 0.879 37 N CB 0.256 38.761 38.487 0.030 0.000 0.984 37 N HN 0.564 nan 8.380 nan 0.000 0.453 38 S N -0.154 115.581 115.700 0.058 0.000 2.537 38 S HA 0.388 4.858 4.470 -0.000 0.000 0.301 38 S C -0.994 173.641 174.600 0.058 0.000 1.092 38 S CA -0.789 57.461 58.200 0.084 0.000 1.048 38 S CB 0.529 63.841 63.200 0.186 0.000 1.053 38 S HN -0.008 nan 8.310 nan 0.000 0.501 39 K N 3.536 123.971 120.400 0.057 0.000 2.292 39 K HA 0.406 4.726 4.320 -0.000 0.000 0.270 39 K C -0.197 176.439 176.600 0.060 0.000 1.062 39 K CA -0.421 55.887 56.287 0.036 0.000 0.916 39 K CB 0.637 33.150 32.500 0.021 0.000 1.166 39 K HN 0.489 nan 8.250 nan 0.000 0.458 40 V N -1.415 118.530 119.914 0.051 0.000 3.158 40 V HA 0.431 4.551 4.120 -0.000 0.000 0.315 40 V C 0.446 176.563 176.094 0.037 0.000 1.148 40 V CA -0.793 61.547 62.300 0.066 0.000 1.042 40 V CB 1.860 33.729 31.823 0.076 0.000 1.101 40 V HN 0.409 nan 8.190 nan 0.000 0.448 41 D N 0.959 121.384 120.400 0.042 0.000 2.213 41 D HA 0.358 4.998 4.640 -0.000 0.000 0.205 41 D C 0.683 176.989 176.300 0.010 0.000 0.961 41 D CA 1.812 55.825 54.000 0.022 0.000 0.853 41 D CB 0.645 41.461 40.800 0.027 0.000 0.967 41 D HN 0.967 nan 8.370 nan 0.000 0.496 42 A N 0.247 123.080 122.820 0.022 0.000 2.486 42 A HA 0.667 4.987 4.320 -0.000 0.000 0.300 42 A C -1.205 176.405 177.584 0.042 0.000 1.048 42 A CA -0.575 51.473 52.037 0.017 0.000 0.696 42 A CB 1.478 20.480 19.000 0.003 0.000 1.278 42 A HN 0.013 nan 8.150 nan 0.000 0.405 43 I N 2.068 122.677 120.570 0.065 0.000 2.447 43 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 43 I C -0.892 175.301 176.117 0.127 0.000 1.023 43 I CA -0.937 60.434 61.300 0.117 0.000 1.083 43 I CB 2.104 40.232 38.000 0.214 0.000 1.245 43 I HN 0.321 nan 8.210 nan 0.000 0.434 44 V N 7.164 127.137 119.914 0.099 0.000 2.398 44 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 44 V C 0.091 176.242 176.094 0.095 0.000 1.026 44 V CA -0.445 61.911 62.300 0.093 0.000 0.868 44 V CB 1.822 33.673 31.823 0.046 0.000 0.982 44 V HN 0.488 nan 8.190 nan 0.000 0.443 45 I N 4.031 124.672 120.570 0.118 0.000 2.330 45 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 45 I C 0.505 176.682 176.117 0.100 0.000 1.001 45 I CA -0.032 61.315 61.300 0.080 0.000 1.193 45 I CB 1.762 39.807 38.000 0.076 0.000 1.345 45 I HN 0.665 nan 8.210 nan 0.000 0.461 46 S N 7.901 123.661 115.700 0.101 0.000 2.465 46 S HA 0.608 5.078 4.470 -0.000 0.000 0.279 46 S C -0.477 174.206 174.600 0.138 0.000 1.201 46 S CA -0.404 57.882 58.200 0.144 0.000 1.053 46 S CB 0.318 63.657 63.200 0.231 0.000 0.953 46 S HN 0.486 nan 8.310 nan 0.000 0.488 47 L N 3.593 124.900 121.223 0.140 0.000 2.267 47 L HA 0.620 4.960 4.340 -0.000 0.000 0.264 47 L C 0.296 177.239 176.870 0.122 0.000 1.021 47 L CA -1.029 53.878 54.840 0.113 0.000 0.861 47 L CB 1.399 43.519 42.059 0.102 0.000 1.443 47 L HN 0.570 nan 8.230 nan 0.000 0.475 48 K N -0.052 120.403 120.400 0.092 0.000 3.202 48 K HA 0.172 4.492 4.320 -0.000 0.000 0.206 48 K C -0.178 176.466 176.600 0.074 0.000 1.142 48 K CA -0.013 56.324 56.287 0.084 0.000 0.979 48 K CB 0.672 33.208 32.500 0.059 0.000 0.863 48 K HN 0.538 nan 8.250 nan 0.000 0.479 49 S N -0.285 115.468 115.700 0.090 0.000 2.506 49 S HA 0.147 4.617 4.470 -0.000 0.000 0.245 49 S C 1.154 175.810 174.600 0.093 0.000 1.088 49 S CA -0.612 57.637 58.200 0.081 0.000 1.099 49 S CB 0.285 63.534 63.200 0.081 0.000 0.805 49 S HN 0.309 nan 8.310 nan 0.000 0.461 50 R N 1.810 122.359 120.500 0.083 0.000 2.100 50 R HA 0.042 4.382 4.340 -0.000 0.000 0.220 50 R C 0.809 177.129 176.300 0.034 0.000 1.091 50 R CA 1.545 57.683 56.100 0.063 0.000 0.986 50 R CB 0.057 30.394 30.300 0.060 0.000 0.888 50 R HN 0.561 nan 8.270 nan 0.000 0.444 51 S N 0.280 116.004 115.700 0.039 0.000 3.082 51 S HA 0.109 4.579 4.470 -0.000 0.000 0.253 51 S C -0.466 174.149 174.600 0.026 0.000 0.961 51 S CA -0.985 57.231 58.200 0.028 0.000 1.129 51 S CB -0.312 62.911 63.200 0.037 0.000 1.083 51 S HN 0.326 nan 8.310 nan 0.000 0.605 52 N N 1.566 120.282 118.700 0.027 0.000 2.379 52 N HA 0.439 5.179 4.740 -0.000 0.000 0.260 52 N C -3.203 172.315 175.510 0.013 0.000 1.254 52 N CA -1.621 51.442 53.050 0.021 0.000 0.958 52 N CB -1.064 37.437 38.487 0.023 0.000 1.208 52 N HN -0.061 nan 8.380 nan 0.000 0.532 53 P HA -0.065 nan 4.420 nan 0.000 0.262 53 P C 1.150 178.450 177.300 0.000 0.000 1.182 53 P CA -0.160 62.942 63.100 0.004 0.000 0.761 53 P CB 0.564 32.266 31.700 0.003 0.000 0.795 54 V N 4.037 123.949 119.914 -0.004 0.000 2.453 54 V HA -0.276 3.844 4.120 -0.000 0.000 0.252 54 V C 1.671 177.756 176.094 -0.015 0.000 1.068 54 V CA 2.059 64.353 62.300 -0.010 0.000 1.070 54 V CB -0.681 31.134 31.823 -0.013 0.000 0.664 54 V HN 0.551 nan 8.190 nan 0.000 0.461 55 N N -0.578 118.115 118.700 -0.011 0.000 2.409 55 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 55 N C 1.695 177.197 175.510 -0.012 0.000 1.032 55 N CA 1.188 54.230 53.050 -0.013 0.000 0.898 55 N CB 0.100 38.581 38.487 -0.010 0.000 0.971 55 N HN 0.674 nan 8.380 nan 0.000 0.441 56 E N 0.957 121.152 120.200 -0.007 0.000 2.033 56 E HA -0.016 4.334 4.350 -0.000 0.000 0.189 56 E C 2.038 178.635 176.600 -0.007 0.000 0.979 56 E CA 0.722 57.120 56.400 -0.003 0.000 0.802 56 E CB -0.020 29.681 29.700 0.003 0.000 0.763 56 E HN 0.244 nan 8.360 nan 0.000 0.449 57 A N 1.371 124.187 122.820 -0.007 0.000 1.917 57 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 57 A C 2.170 179.727 177.584 -0.045 0.000 1.182 57 A CA 1.355 53.384 52.037 -0.013 0.000 0.633 57 A CB -0.751 18.246 19.000 -0.006 0.000 0.819 57 A HN 0.172 nan 8.150 nan 0.000 0.448 58 I N -1.030 119.509 120.570 -0.051 0.000 2.179 58 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 58 I C 2.598 178.683 176.117 -0.053 0.000 1.088 58 I CA 1.809 63.066 61.300 -0.071 0.000 1.357 58 I CB -0.333 37.631 38.000 -0.059 0.000 1.051 58 I HN 0.388 nan 8.210 nan 0.000 0.409 59 E N 1.169 121.352 120.200 -0.029 0.000 2.077 59 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 59 E C 2.150 178.749 176.600 -0.002 0.000 0.989 59 E CA 1.600 57.993 56.400 -0.012 0.000 0.800 59 E CB -0.102 29.595 29.700 -0.005 0.000 0.746 59 E HN 0.436 nan 8.360 nan 0.000 0.452 60 Q N -0.417 119.381 119.800 -0.003 0.000 2.084 60 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 60 Q C 2.396 178.405 176.000 0.015 0.000 0.978 60 Q CA 1.692 57.500 55.803 0.009 0.000 0.844 60 Q CB -0.115 28.630 28.738 0.011 0.000 0.898 60 Q HN 0.163 nan 8.270 nan 0.000 0.426 61 S N 0.930 116.620 115.700 -0.017 0.000 2.382 61 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 61 S C 1.902 176.506 174.600 0.006 0.000 1.027 61 S CA 0.928 59.105 58.200 -0.039 0.000 0.991 61 S CB -0.163 62.934 63.200 -0.172 0.000 0.823 61 S HN 0.262 nan 8.310 nan 0.000 0.469 62 L N 0.544 121.767 121.223 -0.001 0.000 2.217 62 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 62 L C 2.627 179.579 176.870 0.136 0.000 1.107 62 L CA 0.952 55.823 54.840 0.051 0.000 0.783 62 L CB -0.272 41.789 42.059 0.004 0.000 0.919 62 L HN 0.189 nan 8.230 nan 0.000 0.442 63 R N -0.365 120.191 120.500 0.093 0.000 2.093 63 R HA -0.033 4.307 4.340 -0.000 0.000 0.224 63 R C 2.465 178.852 176.300 0.144 0.000 1.101 63 R CA 1.103 57.265 56.100 0.102 0.000 0.979 63 R CB -0.334 30.003 30.300 0.062 0.000 0.877 63 R HN 0.304 nan 8.270 nan 0.000 0.441 64 A N 0.469 123.372 122.820 0.138 0.000 1.902 64 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 64 A C 1.979 179.719 177.584 0.260 0.000 1.181 64 A CA 1.301 53.448 52.037 0.183 0.000 0.623 64 A CB -0.723 18.367 19.000 0.151 0.000 0.818 64 A HN 0.502 nan 8.150 nan 0.000 0.443 65 Y N 0.339 120.695 120.300 0.093 0.000 2.145 65 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 65 Y C 2.457 178.384 175.900 0.044 0.000 1.145 65 Y CA 2.405 60.512 58.100 0.012 0.000 1.148 65 Y CB -0.510 37.833 38.460 -0.195 0.000 0.981 65 Y HN 0.365 nan 8.280 nan 0.000 0.507 66 Q N -0.260 119.443 119.800 -0.163 0.000 2.124 66 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 66 Q C 2.044 177.978 176.000 -0.110 0.000 0.977 66 Q CA 2.322 57.990 55.803 -0.225 0.000 0.850 66 Q CB -0.909 27.837 28.738 0.014 0.000 0.901 66 Q HN 0.704 nan 8.270 nan 0.000 0.429 67 W N -0.055 121.184 121.300 -0.101 0.000 2.378 67 W HA -0.100 4.560 4.660 -0.000 0.000 0.313 67 W C 1.586 178.082 176.519 -0.038 0.000 1.197 67 W CA 1.527 58.843 57.345 -0.049 0.000 1.304 67 W CB -0.392 29.063 29.460 -0.010 0.000 1.148 67 W HN 0.188 nan 8.180 nan 0.000 0.494 68 L N 0.967 122.339 121.223 0.248 0.000 2.043 68 L HA -0.312 4.028 4.340 -0.000 0.000 0.212 68 L C 2.670 179.513 176.870 -0.045 0.000 1.075 68 L CA 2.071 56.998 54.840 0.145 0.000 0.752 68 L CB -1.010 41.289 42.059 0.400 0.000 0.891 68 L HN 0.028 nan 8.230 nan 0.000 0.432 69 K N 0.448 120.786 120.400 -0.103 0.000 2.002 69 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 69 K C 1.929 178.416 176.600 -0.190 0.000 1.048 69 K CA 1.671 57.878 56.287 -0.134 0.000 0.930 69 K CB -0.050 32.179 32.500 -0.451 0.000 0.714 69 K HN 0.343 nan 8.250 nan 0.000 0.438 70 E N 0.183 120.219 120.200 -0.273 0.000 2.204 70 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 70 E C 0.802 177.187 176.600 -0.359 0.000 0.990 70 E CA 0.627 56.858 56.400 -0.280 0.000 0.821 70 E CB 0.022 29.550 29.700 -0.286 0.000 0.750 70 E HN 0.322 nan 8.360 nan 0.000 0.477 71 N N -0.387 118.001 118.700 -0.520 0.000 2.327 71 N HA 0.044 4.784 4.740 -0.000 0.000 0.231 71 N C 0.531 175.864 175.510 -0.295 0.000 1.130 71 N CA 0.624 53.358 53.050 -0.527 0.000 0.845 71 N CB 1.390 39.270 38.487 -1.011 0.000 1.073 71 N HN 0.252 nan 8.380 nan 0.000 0.496 72 G N 0.185 108.867 108.800 -0.196 0.000 2.217 72 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 72 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 72 G C 0.380 175.217 174.900 -0.104 0.000 0.990 72 G CA -0.181 44.846 45.100 -0.121 0.000 0.627 72 G HN 0.424 nan 8.290 nan 0.000 0.522 73 C N 1.966 121.197 119.300 -0.117 0.000 2.648 73 C HA 0.526 4.986 4.460 -0.000 0.000 0.419 73 C C 2.058 176.909 174.990 -0.232 0.000 1.352 73 C CA 0.993 59.898 59.018 -0.187 0.000 1.816 73 C CB 0.434 28.049 27.740 -0.208 0.000 2.598 73 C HN 0.770 nan 8.230 nan 0.000 0.598 74 T N -0.750 113.633 114.554 -0.285 0.000 2.985 74 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 74 T C 0.104 174.640 174.700 -0.273 0.000 1.021 74 T CA 0.109 62.109 62.100 -0.166 0.000 0.957 74 T CB 0.153 68.998 68.868 -0.038 0.000 1.047 74 T HN 0.768 nan 8.240 nan 0.000 0.511 75 Q N 0.001 119.483 119.800 -0.529 0.000 2.356 75 Q HA 0.623 4.963 4.340 -0.000 0.000 0.270 75 Q C -1.896 173.726 176.000 -0.630 0.000 1.058 75 Q CA -1.032 54.563 55.803 -0.345 0.000 0.802 75 Q CB 1.468 30.159 28.738 -0.078 0.000 1.303 75 Q HN 0.342 nan 8.270 nan 0.000 0.444 76 F N 2.067 122.137 119.950 0.199 0.000 2.522 76 F HA 0.479 5.006 4.527 -0.000 0.000 0.324 76 F C -0.940 175.014 175.800 0.257 0.000 1.077 76 F CA -0.820 57.320 58.000 0.233 0.000 0.944 76 F CB 1.437 40.585 39.000 0.247 0.000 1.175 76 F HN 0.483 nan 8.300 nan 0.000 0.468 77 Y N 3.203 123.677 120.300 0.291 0.000 2.322 77 Y HA 0.420 4.970 4.550 -0.000 0.000 0.324 77 Y C -1.450 174.605 175.900 0.258 0.000 1.027 77 Y CA -1.290 56.931 58.100 0.201 0.000 1.179 77 Y CB 0.935 39.453 38.460 0.097 0.000 1.136 77 Y HN 0.522 nan 8.280 nan 0.000 0.449 78 F N 7.542 127.506 119.950 0.023 0.000 2.404 78 F HA 0.410 4.937 4.527 0.000 0.000 0.359 78 F C -0.666 175.100 175.800 -0.056 0.000 1.134 78 F CA -1.161 56.872 58.000 0.056 0.000 1.160 78 F CB 0.326 39.350 39.000 0.040 0.000 1.186 78 F HN 0.450 nan 8.300 nan 0.000 0.526 79 K N 7.479 127.958 120.400 0.132 0.000 2.234 79 K HA 0.423 4.743 4.320 -0.000 0.000 0.277 79 K C -1.551 174.873 176.600 -0.293 0.000 1.038 79 K CA -0.218 55.998 56.287 -0.119 0.000 0.888 79 K CB 0.413 32.996 32.500 0.138 0.000 1.091 79 K HN 0.546 nan 8.250 nan 0.000 0.467 80 Y N 0.581 120.710 120.300 -0.286 0.000 2.833 80 Y HA 0.572 5.122 4.550 -0.000 0.000 0.319 80 Y C -0.157 175.666 175.900 -0.128 0.000 1.254 80 Y CA -1.979 55.951 58.100 -0.283 0.000 1.138 80 Y CB -0.094 38.045 38.460 -0.534 0.000 1.352 80 Y HN 0.489 nan 8.280 nan 0.000 0.546 81 C N 1.767 121.174 119.300 0.178 0.000 2.657 81 C HA 0.277 4.737 4.460 -0.000 0.000 0.404 81 C C 2.055 177.161 174.990 0.194 0.000 1.291 81 C CA 0.626 59.717 59.018 0.122 0.000 2.218 81 C CB -0.103 27.665 27.740 0.047 0.000 2.687 81 C HN 0.971 nan 8.230 nan 0.000 0.634 82 S N 1.551 117.332 115.700 0.134 0.000 2.507 82 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 82 S C 0.995 175.685 174.600 0.149 0.000 0.988 82 S CA 1.332 59.619 58.200 0.145 0.000 0.944 82 S CB -0.589 62.670 63.200 0.098 0.000 0.762 82 S HN 0.977 nan 8.310 nan 0.000 0.526 83 T N -2.484 112.141 114.554 0.118 0.000 3.145 83 T HA 0.346 4.696 4.350 -0.000 0.000 0.255 83 T C 0.394 175.182 174.700 0.146 0.000 1.039 83 T CA -0.539 61.616 62.100 0.093 0.000 0.928 83 T CB -0.893 67.990 68.868 0.026 0.000 1.029 83 T HN 0.262 nan 8.240 nan 0.000 0.554 84 F N 2.234 122.155 119.950 -0.050 0.000 3.084 84 F HA -0.198 4.329 4.527 0.000 0.000 0.286 84 F C -0.595 175.098 175.800 -0.179 0.000 0.855 84 F CA -0.360 57.546 58.000 -0.156 0.000 1.091 84 F CB -2.265 36.633 39.000 -0.170 0.000 1.177 84 F HN 0.240 nan 8.300 nan 0.000 0.542 85 D N 1.429 121.747 120.400 -0.137 0.000 2.819 85 D HA 0.342 4.982 4.640 -0.000 0.000 0.236 85 D C 0.484 176.649 176.300 -0.226 0.000 1.181 85 D CA 1.528 55.422 54.000 -0.178 0.000 0.855 85 D CB 0.322 41.021 40.800 -0.168 0.000 1.146 85 D HN 0.565 nan 8.370 nan 0.000 0.540 86 S N 0.297 115.898 115.700 -0.164 0.000 2.636 86 S HA 0.705 5.175 4.470 -0.000 0.000 0.266 86 S C -0.550 174.008 174.600 -0.069 0.000 1.116 86 S CA -0.741 57.369 58.200 -0.150 0.000 0.893 86 S CB 1.421 64.452 63.200 -0.283 0.000 1.171 86 S HN 0.519 nan 8.310 nan 0.000 0.482 87 T N -3.087 111.435 114.554 -0.055 0.000 2.696 87 T HA 0.810 5.160 4.350 -0.000 0.000 0.291 87 T C 1.242 175.930 174.700 -0.021 0.000 1.095 87 T CA -0.281 61.807 62.100 -0.021 0.000 1.026 87 T CB 0.837 69.701 68.868 -0.007 0.000 1.390 87 T HN 1.738 nan 8.240 nan 0.000 0.513 88 A N 0.164 122.980 122.820 -0.007 0.000 2.076 88 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 88 A C 1.875 179.453 177.584 -0.011 0.000 1.160 88 A CA 1.471 53.505 52.037 -0.004 0.000 0.653 88 A CB -0.812 18.189 19.000 0.002 0.000 0.801 88 A HN 0.778 nan 8.150 nan 0.000 0.455 89 K N -0.700 119.691 120.400 -0.015 0.000 2.358 89 K HA 0.179 4.499 4.320 -0.000 0.000 0.200 89 K C 0.852 177.434 176.600 -0.030 0.000 1.030 89 K CA 0.228 56.505 56.287 -0.017 0.000 1.097 89 K CB 0.489 32.984 32.500 -0.010 0.000 0.862 89 K HN 0.358 nan 8.250 nan 0.000 0.534 90 G N 2.011 110.783 108.800 -0.046 0.000 2.138 90 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.256 90 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.256 90 G C 0.359 175.206 174.900 -0.089 0.000 1.141 90 G CA -0.202 44.851 45.100 -0.078 0.000 0.967 90 G HN 0.230 nan 8.290 nan 0.000 0.435 91 N N 2.297 120.964 118.700 -0.055 0.000 2.493 91 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 91 N C 2.059 177.576 175.510 0.013 0.000 1.041 91 N CA 0.549 53.587 53.050 -0.020 0.000 0.904 91 N CB 0.007 38.503 38.487 0.015 0.000 0.948 91 N HN 0.698 nan 8.380 nan 0.000 0.446 92 I N 0.555 121.078 120.570 -0.078 0.000 2.127 92 I HA -0.210 3.960 4.170 -0.000 0.000 0.241 92 I C 2.491 178.608 176.117 -0.000 0.000 1.075 92 I CA 1.503 62.759 61.300 -0.073 0.000 1.334 92 I CB -0.652 36.910 38.000 -0.730 0.000 1.040 92 I HN 0.168 nan 8.210 nan 0.000 0.405 93 G N 1.107 109.831 108.800 -0.127 0.000 2.414 93 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 93 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 93 G C -0.626 174.236 174.900 -0.063 0.000 1.188 93 G CA 0.672 45.692 45.100 -0.133 0.000 0.783 93 G HN 0.290 nan 8.290 nan 0.000 0.537 94 P HA -0.065 nan 4.420 nan 0.000 0.215 94 P C 2.157 179.414 177.300 -0.072 0.000 1.157 94 P CA 0.984 64.061 63.100 -0.040 0.000 0.874 94 P CB -0.099 31.578 31.700 -0.038 0.000 0.790 95 V N -0.734 119.113 119.914 -0.112 0.000 2.358 95 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 95 V C 2.289 178.218 176.094 -0.274 0.000 1.047 95 V CA 2.484 64.621 62.300 -0.272 0.000 1.035 95 V CB -1.789 29.708 31.823 -0.544 0.000 0.658 95 V HN 0.195 nan 8.190 nan 0.000 0.452 96 T N -0.408 114.086 114.554 -0.099 0.000 2.746 96 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 96 T C 1.690 176.399 174.700 0.014 0.000 1.039 96 T CA 1.708 63.821 62.100 0.021 0.000 1.142 96 T CB -0.367 68.557 68.868 0.093 0.000 0.866 96 T HN 0.466 nan 8.240 nan 0.000 0.444 97 D N 1.175 121.592 120.400 0.028 0.000 2.117 97 D HA -0.007 4.633 4.640 -0.000 0.000 0.197 97 D C 2.390 178.674 176.300 -0.026 0.000 0.987 97 D CA 1.227 55.261 54.000 0.056 0.000 0.829 97 D CB -0.406 40.438 40.800 0.074 0.000 0.961 97 D HN 0.393 nan 8.370 nan 0.000 0.460 98 A N 0.826 123.601 122.820 -0.075 0.000 1.902 98 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 98 A C 2.436 179.916 177.584 -0.173 0.000 1.181 98 A CA 0.911 52.881 52.037 -0.112 0.000 0.623 98 A CB -0.750 18.175 19.000 -0.124 0.000 0.818 98 A HN 0.196 nan 8.150 nan 0.000 0.443 99 L N -0.832 120.266 121.223 -0.208 0.000 2.056 99 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 99 L C 2.604 179.324 176.870 -0.251 0.000 1.078 99 L CA 1.027 55.688 54.840 -0.297 0.000 0.749 99 L CB -0.587 41.318 42.059 -0.256 0.000 0.901 99 L HN 0.366 nan 8.230 nan 0.000 0.433 100 L N -0.426 120.724 121.223 -0.121 0.000 2.046 100 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 100 L C 2.354 179.167 176.870 -0.095 0.000 1.077 100 L CA 1.195 55.991 54.840 -0.073 0.000 0.747 100 L CB -0.578 41.486 42.059 0.009 0.000 0.896 100 L HN 0.304 nan 8.230 nan 0.000 0.432 101 D N -0.305 120.040 120.400 -0.092 0.000 2.092 101 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 101 D C 2.017 178.247 176.300 -0.118 0.000 0.994 101 D CA 1.358 55.307 54.000 -0.084 0.000 0.828 101 D CB -0.114 40.645 40.800 -0.068 0.000 0.963 101 D HN 0.228 nan 8.370 nan 0.000 0.450 102 E N 0.719 120.807 120.200 -0.187 0.000 2.118 102 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 102 E C 2.042 178.503 176.600 -0.231 0.000 0.992 102 E CA 0.811 57.072 56.400 -0.232 0.000 0.804 102 E CB -0.421 29.039 29.700 -0.399 0.000 0.741 102 E HN 0.270 nan 8.360 nan 0.000 0.458 103 L N 0.002 121.063 121.223 -0.271 0.000 2.492 103 L HA 0.043 4.383 4.340 -0.000 0.000 0.223 103 L C 0.414 177.245 176.870 -0.064 0.000 1.132 103 L CA 0.321 55.059 54.840 -0.169 0.000 0.850 103 L CB -0.182 41.770 42.059 -0.178 0.000 0.966 103 L HN 0.164 nan 8.230 nan 0.000 0.454 104 N N 0.447 119.108 118.700 -0.064 0.000 2.776 104 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 104 N C -0.344 175.148 175.510 -0.030 0.000 1.111 104 N CA 0.782 53.811 53.050 -0.036 0.000 0.711 104 N CB -0.635 37.843 38.487 -0.017 0.000 1.065 104 N HN 0.379 nan 8.380 nan 0.000 0.556 105 E N -0.082 120.095 120.200 -0.039 0.000 2.235 105 E HA 0.400 4.750 4.350 -0.000 0.000 0.265 105 E C 0.409 176.993 176.600 -0.027 0.000 0.940 105 E CA -0.356 56.022 56.400 -0.035 0.000 0.819 105 E CB 0.951 30.629 29.700 -0.037 0.000 1.206 105 E HN 0.313 nan 8.360 nan 0.000 0.409 106 D N -0.708 119.683 120.400 -0.014 0.000 2.556 106 D HA 0.202 4.842 4.640 -0.000 0.000 0.237 106 D C -0.431 175.919 176.300 0.084 0.000 1.296 106 D CA -0.246 53.758 54.000 0.006 0.000 0.807 106 D CB 0.148 40.941 40.800 -0.013 0.000 1.084 106 D HN 0.109 nan 8.370 nan 0.000 0.510 107 F N 0.367 120.234 119.950 -0.138 0.000 2.628 107 F HA 0.657 5.184 4.527 -0.000 0.000 0.309 107 F C -1.291 174.453 175.800 -0.093 0.000 1.108 107 F CA -0.425 57.492 58.000 -0.138 0.000 0.971 107 F CB 2.240 41.126 39.000 -0.191 0.000 1.279 107 F HN -0.137 nan 8.300 nan 0.000 0.441 108 T N 3.348 117.474 114.554 -0.714 0.000 2.739 108 T HA 0.666 5.016 4.350 -0.000 0.000 0.303 108 T C -1.783 172.618 174.700 -0.499 0.000 1.389 108 T CA -0.157 61.756 62.100 -0.312 0.000 1.001 108 T CB 1.101 69.960 68.868 -0.016 0.000 1.436 108 T HN 1.054 nan 8.240 nan 0.000 0.500 109 V N 0.545 120.316 119.914 -0.238 0.000 2.850 109 V HA 0.854 4.974 4.120 -0.000 0.000 0.315 109 V C -0.736 175.315 176.094 -0.072 0.000 1.064 109 V CA -0.773 61.397 62.300 -0.218 0.000 0.979 109 V CB 1.447 33.129 31.823 -0.235 0.000 1.039 109 V HN 0.860 nan 8.190 nan 0.000 0.452 110 I N 2.240 122.804 120.570 -0.008 0.000 2.478 110 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 110 I C -0.502 175.661 176.117 0.078 0.000 1.042 110 I CA -0.127 61.229 61.300 0.094 0.000 1.067 110 I CB 2.103 40.163 38.000 0.099 0.000 1.233 110 I HN 0.919 nan 8.210 nan 0.000 0.431 111 T N 7.023 121.648 114.554 0.118 0.000 3.755 111 T HA 0.318 4.668 4.350 -0.000 0.000 0.327 111 T C -2.637 172.132 174.700 0.115 0.000 0.801 111 T CA -0.779 61.373 62.100 0.086 0.000 1.026 111 T CB 1.146 70.036 68.868 0.036 0.000 1.040 111 T HN 0.367 nan 8.240 nan 0.000 0.470 112 P HA 0.390 nan 4.420 nan 0.000 0.249 112 P C 0.070 177.441 177.300 0.117 0.000 1.544 112 P CA -0.195 63.032 63.100 0.211 0.000 0.932 112 P CB -0.117 31.780 31.700 0.328 0.000 1.524 113 A N 0.790 123.659 122.820 0.081 0.000 2.303 113 A HA 0.612 4.932 4.320 -0.000 0.000 0.317 113 A C -0.505 177.100 177.584 0.037 0.000 1.149 113 A CA -0.376 51.699 52.037 0.064 0.000 0.822 113 A CB 0.479 19.519 19.000 0.066 0.000 1.131 113 A HN 0.205 nan 8.150 nan 0.000 0.493 114 L N 3.689 124.934 121.223 0.038 0.000 2.408 114 L HA 0.356 4.696 4.340 -0.000 0.000 0.260 114 L C -2.456 174.439 176.870 0.042 0.000 1.305 114 L CA -0.817 54.038 54.840 0.024 0.000 0.850 114 L CB 1.275 43.327 42.059 -0.011 0.000 1.004 114 L HN 0.400 nan 8.230 nan 0.000 0.506 115 P HA -0.198 nan 4.420 nan 0.000 0.217 115 P C 1.721 179.040 177.300 0.032 0.000 1.151 115 P CA 1.429 64.548 63.100 0.031 0.000 0.849 115 P CB 0.375 32.084 31.700 0.015 0.000 0.787 116 V N -0.502 119.439 119.914 0.045 0.000 2.626 116 V HA -0.127 3.993 4.120 -0.000 0.000 0.252 116 V C 1.013 177.137 176.094 0.051 0.000 1.067 116 V CA 1.813 64.142 62.300 0.049 0.000 1.081 116 V CB -0.830 31.036 31.823 0.072 0.000 0.686 116 V HN 0.112 nan 8.190 nan 0.000 0.468 117 N N 0.436 119.172 118.700 0.059 0.000 2.376 117 N HA 0.242 4.982 4.740 -0.000 0.000 0.249 117 N C 1.110 176.654 175.510 0.057 0.000 1.140 117 N CA 0.796 53.883 53.050 0.063 0.000 0.870 117 N CB 0.355 38.894 38.487 0.087 0.000 1.124 117 N HN 0.547 nan 8.380 nan 0.000 0.505 118 G N 1.221 110.051 108.800 0.049 0.000 2.179 118 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 118 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 118 G C -0.061 174.884 174.900 0.076 0.000 1.010 118 G CA -0.082 45.051 45.100 0.054 0.000 0.736 118 G HN 0.192 nan 8.290 nan 0.000 0.513 119 R N 1.059 121.605 120.500 0.077 0.000 2.312 119 R HA 0.472 4.812 4.340 -0.000 0.000 0.310 119 R C 0.276 176.637 176.300 0.102 0.000 1.064 119 R CA 0.357 56.515 56.100 0.097 0.000 0.983 119 R CB 0.662 31.012 30.300 0.085 0.000 1.139 119 R HN 0.520 nan 8.270 nan 0.000 0.536 120 T N -0.546 114.094 114.554 0.144 0.000 2.885 120 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 120 T C 0.419 175.273 174.700 0.256 0.000 1.019 120 T CA -0.725 61.464 62.100 0.148 0.000 1.010 120 T CB 1.851 70.757 68.868 0.063 0.000 1.022 120 T HN 0.318 nan 8.240 nan 0.000 0.466 121 I N 2.560 123.266 120.570 0.226 0.000 2.420 121 I HA 0.450 4.620 4.170 -0.000 0.000 0.282 121 I C -1.338 174.977 176.117 0.330 0.000 1.019 121 I CA -0.753 60.705 61.300 0.264 0.000 1.130 121 I CB 1.240 39.321 38.000 0.135 0.000 1.262 121 I HN 0.604 nan 8.210 nan 0.000 0.454 122 F N 6.880 126.999 119.950 0.282 0.000 2.477 122 F HA 0.458 4.985 4.527 -0.000 0.000 0.335 122 F C 0.796 176.777 175.800 0.301 0.000 1.130 122 F CA -0.480 57.633 58.000 0.190 0.000 0.948 122 F CB 0.844 39.855 39.000 0.020 0.000 1.154 122 F HN 0.486 nan 8.300 nan 0.000 0.439 123 N N 3.948 122.337 118.700 -0.518 0.000 2.741 123 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 123 N C 0.959 176.479 175.510 0.017 0.000 1.115 123 N CA 1.434 54.309 53.050 -0.292 0.000 0.724 123 N CB -1.206 37.132 38.487 -0.248 0.000 1.090 123 N HN 1.384 nan 8.380 nan 0.000 0.558 124 G N -2.034 106.755 108.800 -0.018 0.000 2.179 124 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 124 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 124 G C -0.039 174.768 174.900 -0.156 0.000 0.977 124 G CA 0.600 45.635 45.100 -0.108 0.000 0.641 124 G HN 0.498 nan 8.290 nan 0.000 0.533 125 Y N -0.529 119.745 120.300 -0.043 0.000 2.316 125 Y HA 0.587 5.137 4.550 0.000 0.000 0.331 125 Y C 0.621 176.484 175.900 -0.061 0.000 1.083 125 Y CA -0.961 57.081 58.100 -0.097 0.000 1.206 125 Y CB 1.359 39.753 38.460 -0.110 0.000 1.195 125 Y HN 0.204 nan 8.280 nan 0.000 0.497 126 L N 4.709 125.902 121.223 -0.050 0.000 2.292 126 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 126 L C -1.449 175.345 176.870 -0.127 0.000 1.065 126 L CA -0.222 54.614 54.840 -0.006 0.000 0.806 126 L CB -0.116 41.911 42.059 -0.054 0.000 1.175 126 L HN 0.402 nan 8.230 nan 0.000 0.431 127 F N 4.050 124.040 119.950 0.067 0.000 2.480 127 F HA 0.575 5.102 4.527 0.000 0.000 0.329 127 F C -0.113 175.713 175.800 0.042 0.000 1.091 127 F CA -0.715 57.317 58.000 0.054 0.000 0.972 127 F CB 2.002 41.029 39.000 0.045 0.000 1.150 127 F HN 0.036 nan 8.300 nan 0.000 0.467 128 V N 3.427 123.453 119.914 0.187 0.000 2.289 128 V HA 0.599 4.719 4.120 -0.000 0.000 0.272 128 V C 0.432 176.598 176.094 0.121 0.000 1.026 128 V CA 0.080 62.455 62.300 0.125 0.000 0.807 128 V CB 0.245 32.114 31.823 0.078 0.000 1.044 128 V HN 1.119 nan 8.190 nan 0.000 0.443 129 G N 4.804 113.673 108.800 0.116 0.000 2.523 129 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.271 129 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.271 129 G C 0.392 175.349 174.900 0.095 0.000 1.146 129 G CA 0.489 45.639 45.100 0.082 0.000 0.961 129 G HN 0.529 nan 8.290 nan 0.000 0.549 130 D N 0.983 121.430 120.400 0.078 0.000 2.340 130 D HA 0.294 4.934 4.640 -0.000 0.000 0.220 130 D C 1.273 177.668 176.300 0.158 0.000 1.039 130 D CA 1.237 55.279 54.000 0.070 0.000 0.866 130 D CB 0.376 41.194 40.800 0.030 0.000 0.913 130 D HN 0.911 nan 8.370 nan 0.000 0.523 131 V N -2.197 117.838 119.914 0.202 0.000 3.046 131 V HA 0.477 4.597 4.120 -0.000 0.000 0.316 131 V C 0.213 176.418 176.094 0.185 0.000 1.104 131 V CA -1.246 61.178 62.300 0.206 0.000 1.006 131 V CB 1.838 33.717 31.823 0.095 0.000 1.058 131 V HN -0.202 nan 8.190 nan 0.000 0.440 132 L N 1.495 122.708 121.223 -0.018 0.000 2.483 132 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 132 L C 1.571 178.346 176.870 -0.158 0.000 1.220 132 L CA -0.023 54.601 54.840 -0.360 0.000 0.833 132 L CB 0.543 42.418 42.059 -0.306 0.000 1.102 132 L HN 0.845 nan 8.230 nan 0.000 0.490 133 L N 2.119 123.235 121.223 -0.177 0.000 2.013 133 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 133 L C 2.514 179.358 176.870 -0.042 0.000 1.073 133 L CA 2.322 57.119 54.840 -0.071 0.000 0.753 133 L CB -0.514 41.503 42.059 -0.071 0.000 0.890 133 L HN 0.882 nan 8.230 nan 0.000 0.432 134 S N -1.775 113.891 115.700 -0.057 0.000 2.500 134 S HA -0.131 4.339 4.470 -0.000 0.000 0.239 134 S C 1.524 176.117 174.600 -0.012 0.000 0.989 134 S CA 1.226 59.410 58.200 -0.026 0.000 0.951 134 S CB -0.572 62.613 63.200 -0.024 0.000 0.759 134 S HN 0.716 nan 8.310 nan 0.000 0.523 135 E N 1.289 121.479 120.200 -0.016 0.000 2.489 135 E HA 0.125 4.475 4.350 -0.000 0.000 0.204 135 E C 0.885 177.496 176.600 0.018 0.000 1.006 135 E CA 0.229 56.630 56.400 0.003 0.000 0.936 135 E CB 0.616 30.318 29.700 0.004 0.000 1.002 135 E HN 0.697 nan 8.360 nan 0.000 0.488 136 S N -0.591 115.120 115.700 0.019 0.000 2.598 136 S HA 0.221 4.691 4.470 -0.000 0.000 0.267 136 S C 1.534 176.158 174.600 0.040 0.000 1.189 136 S CA -0.104 58.117 58.200 0.034 0.000 1.010 136 S CB 0.782 64.005 63.200 0.038 0.000 1.084 136 S HN 0.079 nan 8.310 nan 0.000 0.541 137 G N -0.195 108.636 108.800 0.051 0.000 2.471 137 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 137 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 137 G C 1.251 176.201 174.900 0.083 0.000 1.125 137 G CA 0.427 45.564 45.100 0.061 0.000 0.775 137 G HN 0.496 nan 8.290 nan 0.000 0.548 138 M N 1.468 121.115 119.600 0.078 0.000 2.346 138 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 138 M C 2.494 178.843 176.300 0.082 0.000 1.064 138 M CA 1.314 56.664 55.300 0.083 0.000 1.083 138 M CB -0.749 31.866 32.600 0.026 0.000 1.399 138 M HN 0.545 nan 8.290 nan 0.000 0.435 139 K N 0.129 120.563 120.400 0.056 0.000 2.152 139 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 139 K C 0.349 176.984 176.600 0.058 0.000 1.048 139 K CA 1.697 58.011 56.287 0.045 0.000 0.933 139 K CB -0.499 32.018 32.500 0.030 0.000 0.721 139 K HN 0.420 nan 8.250 nan 0.000 0.447 140 N N 0.866 119.607 118.700 0.069 0.000 2.535 140 N HA 0.050 4.790 4.740 -0.000 0.000 0.294 140 N C -1.102 174.454 175.510 0.076 0.000 1.408 140 N CA -0.333 52.752 53.050 0.058 0.000 0.927 140 N CB 0.429 38.936 38.487 0.034 0.000 1.276 140 N HN 0.223 nan 8.380 nan 0.000 0.505 141 H N 1.285 120.364 119.070 0.015 0.000 2.764 141 H HA 0.069 4.625 4.556 -0.000 0.000 0.341 141 H C -1.557 173.779 175.328 0.014 0.000 1.072 141 H CA -1.109 54.949 56.048 0.017 0.000 1.444 141 H CB 1.434 31.207 29.762 0.019 0.000 1.458 141 H HN 0.110 nan 8.280 nan 0.000 0.572 142 P HA -0.102 nan 4.420 nan 0.000 0.219 142 P C 0.898 178.128 177.300 -0.117 0.000 1.146 142 P CA 1.369 64.324 63.100 -0.242 0.000 0.808 142 P CB 0.395 31.917 31.700 -0.298 0.000 0.779 143 I N -3.134 117.407 120.570 -0.049 0.000 3.570 143 I HA 0.049 4.219 4.170 -0.000 0.000 0.270 143 I C 0.427 176.662 176.117 0.197 0.000 1.162 143 I CA 0.761 62.128 61.300 0.112 0.000 1.413 143 I CB -0.089 37.998 38.000 0.144 0.000 1.437 143 I HN -0.166 nan 8.210 nan 0.000 0.457 144 T N 0.907 115.702 114.554 0.402 0.000 3.390 144 T HA 0.391 4.741 4.350 -0.000 0.000 0.351 144 T C -2.611 172.162 174.700 0.121 0.000 1.759 144 T CA -1.949 60.245 62.100 0.157 0.000 1.561 144 T CB 0.149 69.020 68.868 0.006 0.000 1.011 144 T HN -0.073 nan 8.240 nan 0.000 0.689 145 P HA 0.222 nan 4.420 nan 0.000 0.268 145 P C -0.581 176.749 177.300 0.050 0.000 1.204 145 P CA -0.258 62.908 63.100 0.110 0.000 0.768 145 P CB 0.688 32.439 31.700 0.085 0.000 0.842 146 M N 3.906 123.528 119.600 0.037 0.000 2.043 146 M HA 0.130 4.610 4.480 -0.000 0.000 0.322 146 M C 0.777 177.085 176.300 0.013 0.000 0.962 146 M CA -0.801 54.509 55.300 0.017 0.000 0.927 146 M CB 1.207 33.811 32.600 0.006 0.000 1.466 146 M HN 0.182 nan 8.290 nan 0.000 0.412 147 V N -1.686 118.233 119.914 0.009 0.000 3.578 147 V HA 0.333 4.453 4.120 -0.000 0.000 0.290 147 V C -0.018 176.073 176.094 -0.005 0.000 1.376 147 V CA 0.116 62.419 62.300 0.005 0.000 1.083 147 V CB 0.176 32.005 31.823 0.010 0.000 0.911 147 V HN 0.677 nan 8.190 nan 0.000 0.433 148 D N 0.390 120.780 120.400 -0.016 0.000 2.505 148 D HA 0.724 5.364 4.640 -0.000 0.000 0.249 148 D C 0.606 176.868 176.300 -0.064 0.000 1.082 148 D CA 0.196 54.175 54.000 -0.034 0.000 0.839 148 D CB 2.413 43.188 40.800 -0.043 0.000 1.317 148 D HN 0.097 nan 8.370 nan 0.000 0.497 149 A N 3.887 126.667 122.820 -0.066 0.000 2.238 149 A HA 0.035 4.355 4.320 -0.000 0.000 0.210 149 A C 0.991 178.448 177.584 -0.211 0.000 1.179 149 A CA -0.160 51.815 52.037 -0.104 0.000 0.827 149 A CB -0.182 18.768 19.000 -0.083 0.000 0.856 149 A HN 0.531 nan 8.150 nan 0.000 0.488 150 N N 1.263 119.766 118.700 -0.328 0.000 2.401 150 N HA 0.201 4.941 4.740 -0.000 0.000 0.255 150 N C 0.656 175.921 175.510 -0.407 0.000 1.110 150 N CA -0.107 52.593 53.050 -0.583 0.000 0.949 150 N CB 0.712 38.812 38.487 -0.644 0.000 1.110 150 N HN 0.322 nan 8.380 nan 0.000 0.490 151 L N 3.387 124.346 121.223 -0.439 0.000 2.083 151 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 151 L C 2.067 178.711 176.870 -0.376 0.000 1.083 151 L CA 1.229 55.757 54.840 -0.520 0.000 0.752 151 L CB -0.158 41.555 42.059 -0.576 0.000 0.899 151 L HN 0.556 nan 8.230 nan 0.000 0.433 152 M N -0.970 118.468 119.600 -0.270 0.000 2.159 152 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 152 M C 2.283 178.527 176.300 -0.094 0.000 1.063 152 M CA 1.691 56.906 55.300 -0.142 0.000 1.110 152 M CB -0.449 32.081 32.600 -0.117 0.000 1.374 152 M HN 0.026 nan 8.290 nan 0.000 0.411 153 R N -0.325 120.092 120.500 -0.139 0.000 2.073 153 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 153 R C 2.176 178.442 176.300 -0.057 0.000 1.120 153 R CA 1.115 57.164 56.100 -0.085 0.000 0.967 153 R CB -0.542 29.694 30.300 -0.107 0.000 0.862 153 R HN 0.361 nan 8.270 nan 0.000 0.436 154 L N 0.074 121.242 121.223 -0.091 0.000 2.017 154 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 154 L C 2.579 179.496 176.870 0.079 0.000 1.073 154 L CA 1.059 55.896 54.840 -0.005 0.000 0.745 154 L CB -0.289 41.758 42.059 -0.020 0.000 0.894 154 L HN 0.182 nan 8.230 nan 0.000 0.432 155 M N 0.039 119.669 119.600 0.051 0.000 2.132 155 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 155 M C 1.598 177.917 176.300 0.032 0.000 1.065 155 M CA 1.743 57.084 55.300 0.068 0.000 1.122 155 M CB -0.389 32.213 32.600 0.004 0.000 1.365 155 M HN 0.051 nan 8.290 nan 0.000 0.411 156 D N 0.230 120.662 120.400 0.054 0.000 2.178 156 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 156 D C 1.971 178.306 176.300 0.058 0.000 0.980 156 D CA 1.605 55.657 54.000 0.086 0.000 0.842 156 D CB -0.331 40.516 40.800 0.078 0.000 0.948 156 D HN 0.501 nan 8.370 nan 0.000 0.472 157 A N 0.829 123.669 122.820 0.034 0.000 1.933 157 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 157 A C 1.899 179.494 177.584 0.019 0.000 1.175 157 A CA 1.773 53.824 52.037 0.024 0.000 0.628 157 A CB -0.464 18.546 19.000 0.016 0.000 0.814 157 A HN 0.447 nan 8.150 nan 0.000 0.444 158 Q N -1.550 118.257 119.800 0.011 0.000 2.247 158 Q HA 0.632 4.972 4.340 -0.000 0.000 0.211 158 Q C 0.397 176.394 176.000 -0.005 0.000 0.861 158 Q CA 0.270 56.069 55.803 -0.006 0.000 0.949 158 Q CB 0.163 28.879 28.738 -0.036 0.000 1.115 158 Q HN 0.454 nan 8.270 nan 0.000 0.507 159 A N 0.857 123.692 122.820 0.025 0.000 2.311 159 A HA 0.514 4.834 4.320 -0.000 0.000 0.334 159 A C 0.078 177.742 177.584 0.134 0.000 1.139 159 A CA -0.695 51.385 52.037 0.071 0.000 0.830 159 A CB 1.415 20.453 19.000 0.064 0.000 1.234 159 A HN 0.034 nan 8.150 nan 0.000 0.483 160 K N 0.311 120.813 120.400 0.170 0.000 2.305 160 K HA 0.186 4.506 4.320 -0.000 0.000 0.199 160 K C 1.017 177.694 176.600 0.128 0.000 1.047 160 K CA 1.148 57.508 56.287 0.121 0.000 0.976 160 K CB 0.167 32.720 32.500 0.088 0.000 0.765 160 K HN 0.790 nan 8.250 nan 0.000 0.474 161 G N -0.525 108.409 108.800 0.224 0.000 2.938 161 G HA2 0.357 4.317 3.960 -0.000 0.000 0.258 161 G HA3 0.357 4.317 3.960 -0.000 0.000 0.258 161 G C -0.986 174.019 174.900 0.175 0.000 1.356 161 G CA -0.546 44.602 45.100 0.079 0.000 1.052 161 G HN -0.162 nan 8.290 nan 0.000 0.550 162 K N 0.438 120.875 120.400 0.061 0.000 2.221 162 K HA 0.497 4.817 4.320 -0.000 0.000 0.258 162 K C -0.640 176.198 176.600 0.397 0.000 0.944 162 K CA -0.403 56.010 56.287 0.210 0.000 0.823 162 K CB 1.719 34.273 32.500 0.090 0.000 1.113 162 K HN 0.423 nan 8.250 nan 0.000 0.431 163 T N 1.093 115.916 114.554 0.448 0.000 2.767 163 T HA 0.475 4.825 4.350 -0.000 0.000 0.288 163 T C 0.504 175.225 174.700 0.035 0.000 0.963 163 T CA -0.668 61.644 62.100 0.353 0.000 1.019 163 T CB 1.521 70.539 68.868 0.250 0.000 0.923 163 T HN 0.643 nan 8.240 nan 0.000 0.468 164 G N 1.429 110.036 108.800 -0.322 0.000 2.642 164 G HA2 0.742 4.702 3.960 -0.000 0.000 0.291 164 G HA3 0.742 4.702 3.960 -0.000 0.000 0.291 164 G C -1.428 173.289 174.900 -0.305 0.000 1.345 164 G CA -0.638 43.955 45.100 -0.845 0.000 1.043 164 G HN 0.664 nan 8.290 nan 0.000 0.528 165 L N -1.082 119.992 121.223 -0.248 0.000 2.472 165 L HA 0.612 4.952 4.340 -0.000 0.000 0.260 165 L C -1.044 175.807 176.870 -0.031 0.000 0.963 165 L CA -0.622 54.161 54.840 -0.095 0.000 0.829 165 L CB 2.469 44.465 42.059 -0.104 0.000 1.348 165 L HN 0.295 nan 8.230 nan 0.000 0.408 166 V N 5.079 125.007 119.914 0.024 0.000 2.259 166 V HA 0.694 4.814 4.120 -0.000 0.000 0.267 166 V C 0.813 176.907 176.094 0.001 0.000 1.051 166 V CA -0.168 62.146 62.300 0.024 0.000 0.830 166 V CB 0.457 32.310 31.823 0.051 0.000 1.080 166 V HN 0.946 nan 8.190 nan 0.000 0.467 167 A N 3.019 125.832 122.820 -0.013 0.000 2.406 167 A HA 0.284 4.604 4.320 -0.000 0.000 0.243 167 A C 0.991 178.610 177.584 0.059 0.000 1.082 167 A CA 0.091 52.129 52.037 0.003 0.000 0.786 167 A CB 0.032 19.021 19.000 -0.019 0.000 1.029 167 A HN 0.853 nan 8.150 nan 0.000 0.495 168 Y N 1.724 122.029 120.300 0.010 0.000 2.062 168 Y HA -0.299 4.251 4.550 -0.000 0.000 0.276 168 Y C 2.392 178.326 175.900 0.056 0.000 1.189 168 Y CA 3.029 61.183 58.100 0.090 0.000 1.130 168 Y CB -0.746 37.886 38.460 0.286 0.000 0.959 168 Y HN 0.669 nan 8.280 nan 0.000 0.499 169 A N 0.026 122.871 122.820 0.041 0.000 1.997 169 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 169 A C 1.957 179.451 177.584 -0.149 0.000 1.172 169 A CA 2.301 54.290 52.037 -0.079 0.000 0.645 169 A CB -0.819 18.221 19.000 0.066 0.000 0.813 169 A HN 0.714 nan 8.150 nan 0.000 0.454 170 D N -0.851 119.483 120.400 -0.111 0.000 2.240 170 D HA 0.016 4.656 4.640 -0.000 0.000 0.206 170 D C 2.026 178.232 176.300 -0.156 0.000 0.963 170 D CA 1.107 55.038 54.000 -0.116 0.000 0.863 170 D CB 0.026 40.775 40.800 -0.086 0.000 0.973 170 D HN 0.291 nan 8.370 nan 0.000 0.501 171 V N 2.941 122.753 119.914 -0.170 0.000 2.358 171 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 171 V C 2.598 178.569 176.094 -0.206 0.000 1.047 171 V CA 1.117 63.316 62.300 -0.169 0.000 1.035 171 V CB -0.745 31.010 31.823 -0.113 0.000 0.658 171 V HN 0.283 nan 8.190 nan 0.000 0.452 172 I N -1.688 118.693 120.570 -0.315 0.000 3.010 172 I HA -0.146 4.024 4.170 -0.000 0.000 0.271 172 I C 1.902 177.906 176.117 -0.188 0.000 1.293 172 I CA 1.531 62.654 61.300 -0.295 0.000 1.452 172 I CB -0.602 37.122 38.000 -0.459 0.000 1.082 172 I HN 0.231 nan 8.210 nan 0.000 0.484 173 K N 1.753 122.056 120.400 -0.163 0.000 2.393 173 K HA 0.388 4.708 4.320 -0.000 0.000 0.193 173 K C 0.777 177.317 176.600 -0.099 0.000 1.026 173 K CA 0.493 56.711 56.287 -0.115 0.000 1.064 173 K CB 0.372 32.811 32.500 -0.102 0.000 0.833 173 K HN 0.622 nan 8.250 nan 0.000 0.521 174 G N 0.110 108.843 108.800 -0.111 0.000 2.423 174 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.684 174 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.684 174 G C 0.335 175.171 174.900 -0.105 0.000 1.309 174 G CA -0.523 44.522 45.100 -0.093 0.000 0.950 174 G HN 0.005 nan 8.290 nan 0.000 0.587 175 A N -0.102 122.669 122.820 -0.082 0.000 1.877 175 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 175 A C 2.775 180.307 177.584 -0.087 0.000 1.186 175 A CA 3.075 55.063 52.037 -0.081 0.000 0.620 175 A CB -0.869 18.110 19.000 -0.035 0.000 0.822 175 A HN 1.582 nan 8.150 nan 0.000 0.443 176 S N -0.699 114.966 115.700 -0.058 0.000 2.370 176 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 176 S C 2.127 176.682 174.600 -0.075 0.000 1.033 176 S CA 1.690 59.863 58.200 -0.045 0.000 1.011 176 S CB -0.329 62.855 63.200 -0.026 0.000 0.852 176 S HN 0.624 nan 8.310 nan 0.000 0.457 177 R N 1.605 122.047 120.500 -0.095 0.000 2.092 177 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 177 R C 1.875 178.069 176.300 -0.177 0.000 1.119 177 R CA 1.280 57.315 56.100 -0.109 0.000 0.970 177 R CB -1.067 29.172 30.300 -0.102 0.000 0.864 177 R HN 0.276 nan 8.270 nan 0.000 0.440 178 V N 0.981 120.740 119.914 -0.258 0.000 2.343 178 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 178 V C 2.214 177.880 176.094 -0.712 0.000 1.051 178 V CA 2.132 64.132 62.300 -0.500 0.000 1.036 178 V CB -0.527 30.974 31.823 -0.536 0.000 0.654 178 V HN 0.434 nan 8.190 nan 0.000 0.451 179 Q N -0.434 119.139 119.800 -0.377 0.000 2.167 179 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 179 Q C 2.219 178.223 176.000 0.006 0.000 0.970 179 Q CA 1.492 57.245 55.803 -0.083 0.000 0.855 179 Q CB -0.129 28.659 28.738 0.082 0.000 0.911 179 Q HN 0.708 nan 8.270 nan 0.000 0.438 180 E N -0.174 119.992 120.200 -0.057 0.000 2.107 180 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 180 E C 2.031 178.622 176.600 -0.014 0.000 0.982 180 E CA 0.940 57.328 56.400 -0.020 0.000 0.809 180 E CB 0.014 29.695 29.700 -0.033 0.000 0.756 180 E HN 0.338 nan 8.360 nan 0.000 0.459 181 C N 0.520 119.779 119.300 -0.068 0.000 2.450 181 C HA -0.062 4.398 4.460 -0.000 0.000 0.279 181 C C 2.294 177.357 174.990 0.121 0.000 1.335 181 C CA 0.051 59.058 59.018 -0.019 0.000 1.749 181 C CB -0.905 26.786 27.740 -0.081 0.000 1.963 181 C HN 0.343 nan 8.230 nan 0.000 0.501 182 F N 1.934 121.926 119.950 0.070 0.000 2.134 182 F HA -0.075 4.453 4.527 0.000 0.000 0.299 182 F C 2.564 178.266 175.800 -0.164 0.000 1.097 182 F CA 1.174 59.219 58.000 0.074 0.000 1.264 182 F CB -1.508 37.662 39.000 0.283 0.000 1.001 182 F HN 0.192 nan 8.300 nan 0.000 0.479 183 A N -0.430 122.462 122.820 0.119 0.000 1.972 183 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 183 A C 2.267 179.830 177.584 -0.034 0.000 1.169 183 A CA 1.707 53.741 52.037 -0.004 0.000 0.635 183 A CB -0.779 18.236 19.000 0.025 0.000 0.810 183 A HN 0.471 nan 8.150 nan 0.000 0.446 184 E N 0.085 120.291 120.200 0.010 0.000 2.046 184 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 184 E C 1.920 178.551 176.600 0.051 0.000 0.982 184 E CA 0.897 57.311 56.400 0.023 0.000 0.800 184 E CB -0.246 29.476 29.700 0.036 0.000 0.756 184 E HN 0.598 nan 8.360 nan 0.000 0.449 185 L N 0.706 121.973 121.223 0.074 0.000 2.083 185 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 185 L C 2.678 179.617 176.870 0.115 0.000 1.083 185 L CA 1.371 56.330 54.840 0.199 0.000 0.752 185 L CB -0.306 41.861 42.059 0.181 0.000 0.899 185 L HN 0.088 nan 8.230 nan 0.000 0.433 186 K N 0.041 120.303 120.400 -0.230 0.000 2.097 186 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 186 K C 2.216 178.735 176.600 -0.136 0.000 1.050 186 K CA 1.265 57.366 56.287 -0.309 0.000 0.938 186 K CB -0.217 31.989 32.500 -0.489 0.000 0.718 186 K HN 0.271 nan 8.250 nan 0.000 0.442 187 A N 1.373 124.140 122.820 -0.088 0.000 1.969 187 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 187 A C 1.780 179.329 177.584 -0.059 0.000 1.169 187 A CA 1.099 53.099 52.037 -0.062 0.000 0.635 187 A CB -0.265 18.712 19.000 -0.038 0.000 0.810 187 A HN 0.299 nan 8.150 nan 0.000 0.445 188 Q N -1.321 118.458 119.800 -0.034 0.000 2.482 188 Q HA 0.224 4.564 4.340 -0.000 0.000 0.209 188 Q C 0.986 176.817 176.000 -0.282 0.000 0.961 188 Q CA 0.363 56.106 55.803 -0.099 0.000 0.945 188 Q CB -0.017 28.736 28.738 0.025 0.000 1.012 188 Q HN 0.870 nan 8.270 nan 0.000 0.515 189 G N 0.186 108.864 108.800 -0.204 0.000 2.132 189 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 189 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 189 G C -0.542 174.211 174.900 -0.244 0.000 1.000 189 G CA -0.419 44.547 45.100 -0.223 0.000 0.693 189 G HN 0.267 nan 8.290 nan 0.000 0.515 190 Y N -0.497 119.787 120.300 -0.027 0.000 2.304 190 Y HA 0.561 5.111 4.550 -0.000 0.000 0.328 190 Y C 1.594 177.521 175.900 0.045 0.000 1.123 190 Y CA -0.325 57.788 58.100 0.021 0.000 1.218 190 Y CB 1.105 39.642 38.460 0.129 0.000 1.207 190 Y HN 0.102 nan 8.280 nan 0.000 0.495 191 R N 1.653 122.135 120.500 -0.030 0.000 2.237 191 R HA 0.152 4.492 4.340 -0.000 0.000 0.195 191 R C -1.009 175.017 176.300 -0.457 0.000 0.956 191 R CA 0.463 56.369 56.100 -0.324 0.000 1.029 191 R CB 0.443 30.261 30.300 -0.804 0.000 0.972 191 R HN 0.715 nan 8.270 nan 0.000 0.493 192 Y N -1.551 118.843 120.300 0.158 0.000 2.581 192 Y HA 0.708 5.258 4.550 -0.000 0.000 0.345 192 Y C -0.750 175.122 175.900 -0.046 0.000 1.036 192 Y CA -1.513 56.509 58.100 -0.131 0.000 1.042 192 Y CB 1.852 40.286 38.460 -0.044 0.000 1.289 192 Y HN -0.156 nan 8.280 nan 0.000 0.471 193 A N 1.197 123.993 122.820 -0.041 0.000 2.385 193 A HA 0.675 4.995 4.320 -0.000 0.000 0.290 193 A C -1.383 176.225 177.584 0.040 0.000 1.094 193 A CA -0.695 51.380 52.037 0.064 0.000 0.729 193 A CB 0.618 19.782 19.000 0.273 0.000 1.194 193 A HN 0.538 nan 8.150 nan 0.000 0.442 194 V N 2.219 122.142 119.914 0.016 0.000 2.686 194 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 194 V C 0.063 176.179 176.094 0.035 0.000 1.055 194 V CA -0.052 62.242 62.300 -0.011 0.000 1.050 194 V CB 1.418 33.190 31.823 -0.085 0.000 0.984 194 V HN 0.632 nan 8.190 nan 0.000 0.482 195 V N 3.309 123.250 119.914 0.045 0.000 2.577 195 V HA 0.371 4.491 4.120 -0.000 0.000 0.303 195 V C -0.427 175.701 176.094 0.057 0.000 1.042 195 V CA -0.962 61.379 62.300 0.068 0.000 0.872 195 V CB 1.861 33.746 31.823 0.103 0.000 0.998 195 V HN 0.826 nan 8.190 nan 0.000 0.423 196 D N 2.866 123.309 120.400 0.071 0.000 2.362 196 D HA 0.622 5.262 4.640 -0.000 0.000 0.238 196 D C 0.225 176.608 176.300 0.139 0.000 1.212 196 D CA 0.625 54.700 54.000 0.125 0.000 0.902 196 D CB 1.334 42.245 40.800 0.185 0.000 1.180 196 D HN 0.994 nan 8.370 nan 0.000 0.445 197 A N 0.360 123.282 122.820 0.171 0.000 2.364 197 A HA 0.333 4.653 4.320 -0.000 0.000 0.303 197 A C 0.103 177.755 177.584 0.113 0.000 1.078 197 A CA -0.580 51.535 52.037 0.129 0.000 0.970 197 A CB -0.190 18.844 19.000 0.057 0.000 1.497 197 A HN 0.323 nan 8.150 nan 0.000 0.376 198 V N -1.709 118.270 119.914 0.108 0.000 3.660 198 V HA 0.408 4.528 4.120 -0.000 0.000 0.276 198 V C 0.223 176.307 176.094 -0.017 0.000 1.317 198 V CA 1.255 63.548 62.300 -0.011 0.000 1.097 198 V CB -0.205 31.510 31.823 -0.180 0.000 0.863 198 V HN 0.751 nan 8.190 nan 0.000 0.438 199 D N -0.980 119.438 120.400 0.029 0.000 2.756 199 D HA 0.354 4.994 4.640 -0.000 0.000 0.226 199 D C 0.493 176.779 176.300 -0.022 0.000 1.186 199 D CA -0.581 53.424 54.000 0.009 0.000 0.845 199 D CB 1.808 42.627 40.800 0.033 0.000 1.610 199 D HN -0.153 nan 8.370 nan 0.000 0.465 200 N N 0.158 118.834 118.700 -0.040 0.000 2.272 200 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 200 N C 1.575 176.909 175.510 -0.294 0.000 1.014 200 N CA 1.444 54.421 53.050 -0.121 0.000 0.870 200 N CB 0.027 38.516 38.487 0.003 0.000 0.975 200 N HN 0.448 nan 8.380 nan 0.000 0.433 201 S N -0.410 115.185 115.700 -0.174 0.000 2.442 201 S HA -0.139 4.331 4.470 -0.000 0.000 0.236 201 S C 1.759 176.233 174.600 -0.211 0.000 1.007 201 S CA 0.747 58.829 58.200 -0.196 0.000 0.965 201 S CB -0.219 62.926 63.200 -0.092 0.000 0.773 201 S HN 0.214 nan 8.310 nan 0.000 0.504 202 Q N 0.950 120.657 119.800 -0.154 0.000 2.224 202 Q HA 0.218 4.558 4.340 -0.000 0.000 0.203 202 Q C 2.012 177.914 176.000 -0.164 0.000 0.970 202 Q CA 1.197 56.932 55.803 -0.114 0.000 0.865 202 Q CB -0.481 28.247 28.738 -0.017 0.000 0.922 202 Q HN 0.595 nan 8.270 nan 0.000 0.445 203 L N -0.346 120.706 121.223 -0.284 0.000 2.240 203 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 203 L C 2.257 178.911 176.870 -0.360 0.000 1.106 203 L CA 0.872 55.532 54.840 -0.301 0.000 0.793 203 L CB -0.213 41.643 42.059 -0.338 0.000 0.927 203 L HN 0.271 nan 8.230 nan 0.000 0.446 204 E N 0.176 120.035 120.200 -0.567 0.000 2.106 204 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 204 E C 2.198 178.729 176.600 -0.115 0.000 0.984 204 E CA 1.056 57.270 56.400 -0.311 0.000 0.806 204 E CB 0.237 29.759 29.700 -0.296 0.000 0.750 204 E HN 0.226 nan 8.360 nan 0.000 0.458 205 V N 1.080 120.915 119.914 -0.132 0.000 2.270 205 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 205 V C 2.373 178.427 176.094 -0.067 0.000 1.043 205 V CA 1.422 63.669 62.300 -0.089 0.000 1.014 205 V CB -0.481 31.279 31.823 -0.105 0.000 0.645 205 V HN 0.336 nan 8.190 nan 0.000 0.447 206 L N 1.049 122.231 121.223 -0.067 0.000 2.012 206 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 206 L C 2.499 179.363 176.870 -0.010 0.000 1.073 206 L CA 2.417 57.241 54.840 -0.027 0.000 0.748 206 L CB -1.123 40.929 42.059 -0.010 0.000 0.891 206 L HN 0.247 nan 8.230 nan 0.000 0.431 207 A N -1.071 121.751 122.820 0.004 0.000 1.927 207 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 207 A C 2.337 179.944 177.584 0.037 0.000 1.185 207 A CA 2.075 54.139 52.037 0.045 0.000 0.639 207 A CB -0.713 18.352 19.000 0.108 0.000 0.820 207 A HN 0.591 nan 8.150 nan 0.000 0.451 208 E N -0.490 119.726 120.200 0.026 0.000 2.107 208 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 208 E C 2.324 178.948 176.600 0.039 0.000 0.982 208 E CA 0.970 57.390 56.400 0.032 0.000 0.809 208 E CB -0.217 29.493 29.700 0.017 0.000 0.756 208 E HN 0.540 nan 8.360 nan 0.000 0.459 209 A N 0.885 123.720 122.820 0.025 0.000 1.898 209 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 209 A C 2.159 179.806 177.584 0.104 0.000 1.181 209 A CA 1.569 53.647 52.037 0.067 0.000 0.620 209 A CB -0.479 18.525 19.000 0.007 0.000 0.819 209 A HN 0.204 nan 8.150 nan 0.000 0.442 210 V N -3.203 116.677 119.914 -0.058 0.000 3.490 210 V HA 0.526 4.646 4.120 -0.000 0.000 0.315 210 V C 1.719 177.819 176.094 0.009 0.000 1.284 210 V CA 0.460 62.571 62.300 -0.316 0.000 1.233 210 V CB -1.093 30.403 31.823 -0.544 0.000 1.101 210 V HN 0.462 nan 8.190 nan 0.000 0.425 211 A N 0.309 123.186 122.820 0.095 0.000 2.070 211 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 211 A C 1.715 179.398 177.584 0.165 0.000 1.159 211 A CA 1.902 54.010 52.037 0.118 0.000 0.656 211 A CB -0.291 18.768 19.000 0.098 0.000 0.800 211 A HN 0.615 nan 8.150 nan 0.000 0.453 212 D N -2.017 118.537 120.400 0.255 0.000 2.469 212 D HA 0.193 4.833 4.640 -0.000 0.000 0.215 212 D C -0.684 175.807 176.300 0.318 0.000 1.154 212 D CA -0.284 53.863 54.000 0.245 0.000 0.832 212 D CB 0.089 41.008 40.800 0.199 0.000 1.008 212 D HN 0.260 nan 8.370 nan 0.000 0.506 213 F N 1.654 121.657 119.950 0.088 0.000 2.538 213 F HA 0.056 4.583 4.527 -0.000 0.000 0.371 213 F C 1.833 177.689 175.800 0.093 0.000 1.087 213 F CA -0.134 57.911 58.000 0.076 0.000 1.250 213 F CB 1.043 40.066 39.000 0.039 0.000 1.110 213 F HN -0.319 nan 8.300 nan 0.000 0.570 214 K N 1.890 122.408 120.400 0.196 0.000 2.217 214 K HA 0.064 4.384 4.320 -0.000 0.000 0.202 214 K C -0.471 176.319 176.600 0.317 0.000 1.051 214 K CA 0.883 57.307 56.287 0.228 0.000 0.952 214 K CB -0.040 32.561 32.500 0.168 0.000 0.736 214 K HN 0.490 nan 8.250 nan 0.000 0.453 215 L N -0.266 121.117 121.223 0.266 0.000 2.455 215 L HA 0.483 4.823 4.340 -0.000 0.000 0.264 215 L C -1.495 175.507 176.870 0.220 0.000 0.968 215 L CA -0.987 54.006 54.840 0.255 0.000 0.827 215 L CB 2.111 44.274 42.059 0.174 0.000 1.317 215 L HN -0.076 nan 8.230 nan 0.000 0.407 216 V N 0.677 120.648 119.914 0.094 0.000 3.078 216 V HA 0.998 5.118 4.120 -0.000 0.000 0.311 216 V C -0.578 175.307 176.094 -0.349 0.000 1.138 216 V CA 0.173 62.416 62.300 -0.095 0.000 1.007 216 V CB 1.835 33.568 31.823 -0.150 0.000 1.045 216 V HN 1.052 nan 8.190 nan 0.000 0.432 217 T N -0.489 113.830 114.554 -0.390 0.000 2.906 217 T HA 1.014 5.364 4.350 -0.000 0.000 0.295 217 T C -0.008 174.318 174.700 -0.622 0.000 1.075 217 T CA 0.041 61.838 62.100 -0.504 0.000 1.005 217 T CB 1.443 70.300 68.868 -0.017 0.000 1.136 217 T HN 2.625 nan 8.240 nan 0.000 0.498 218 G N -0.076 108.109 108.800 -1.026 0.000 2.345 218 G HA2 0.526 4.486 3.960 -0.000 0.000 0.285 218 G HA3 0.526 4.486 3.960 -0.000 0.000 0.285 218 G C -0.094 174.416 174.900 -0.649 0.000 1.297 218 G CA -0.104 44.579 45.100 -0.696 0.000 0.875 218 G HN 1.138 nan 8.290 nan 0.000 0.506 219 G N -0.963 107.724 108.800 -0.189 0.000 2.783 219 G HA2 0.453 4.413 3.960 -0.000 0.000 0.182 219 G HA3 0.453 4.413 3.960 -0.000 0.000 0.182 219 G C 1.293 176.185 174.900 -0.012 0.000 1.516 219 G CA 1.203 46.257 45.100 -0.076 0.000 1.079 219 G HN 1.163 nan 8.290 nan 0.000 0.573 220 S N -0.280 115.391 115.700 -0.049 0.000 2.470 220 S HA 0.071 4.541 4.470 -0.000 0.000 0.222 220 S C 2.379 176.786 174.600 -0.322 0.000 1.024 220 S CA 0.800 58.908 58.200 -0.152 0.000 0.931 220 S CB -0.064 63.107 63.200 -0.049 0.000 0.791 220 S HN 0.723 nan 8.310 nan 0.000 0.513 221 G N 2.617 111.284 108.800 -0.222 0.000 2.553 221 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 221 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 221 G C 1.389 176.280 174.900 -0.014 0.000 1.195 221 G CA 1.316 46.319 45.100 -0.162 0.000 0.779 221 G HN 0.445 nan 8.290 nan 0.000 0.577 222 L N 1.545 122.804 121.223 0.059 0.000 2.056 222 L HA 0.188 4.528 4.340 -0.000 0.000 0.207 222 L C 2.851 179.795 176.870 0.124 0.000 1.078 222 L CA 2.411 57.336 54.840 0.141 0.000 0.749 222 L CB -1.081 41.078 42.059 0.167 0.000 0.901 222 L HN 0.180 nan 8.230 nan 0.000 0.433 223 G N -0.884 107.922 108.800 0.010 0.000 2.442 223 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 223 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 223 G C 1.604 176.391 174.900 -0.190 0.000 1.141 223 G CA 0.944 45.874 45.100 -0.284 0.000 0.763 223 G HN 0.661 nan 8.290 nan 0.000 0.554 224 A N 0.074 122.750 122.820 -0.240 0.000 1.877 224 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 224 A C 2.230 179.638 177.584 -0.295 0.000 1.186 224 A CA 1.527 53.384 52.037 -0.300 0.000 0.620 224 A CB -0.644 17.985 19.000 -0.619 0.000 0.822 224 A HN 0.428 nan 8.150 nan 0.000 0.443 225 Y N -0.594 119.648 120.300 -0.096 0.000 2.439 225 Y HA -0.054 4.496 4.550 -0.000 0.000 0.292 225 Y C 2.501 178.388 175.900 -0.021 0.000 1.130 225 Y CA 1.309 59.381 58.100 -0.046 0.000 1.254 225 Y CB -0.270 38.164 38.460 -0.043 0.000 1.000 225 Y HN 0.229 nan 8.280 nan 0.000 0.554 226 M N -1.238 118.412 119.600 0.083 0.000 2.200 226 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 226 M C 2.480 178.792 176.300 0.020 0.000 1.066 226 M CA 1.377 56.715 55.300 0.064 0.000 1.127 226 M CB -0.299 32.346 32.600 0.076 0.000 1.379 226 M HN 0.297 nan 8.290 nan 0.000 0.420 227 A N 0.580 123.386 122.820 -0.024 0.000 1.873 227 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 227 A C 2.379 179.949 177.584 -0.023 0.000 1.186 227 A CA 1.758 53.777 52.037 -0.029 0.000 0.616 227 A CB -0.911 18.061 19.000 -0.047 0.000 0.823 227 A HN 0.457 nan 8.150 nan 0.000 0.442 228 A N -0.452 122.338 122.820 -0.050 0.000 1.940 228 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 228 A C 2.268 179.860 177.584 0.014 0.000 1.176 228 A CA 1.769 53.783 52.037 -0.038 0.000 0.631 228 A CB -0.477 18.463 19.000 -0.100 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.446 229 R N -0.476 120.048 120.500 0.039 0.000 2.062 229 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 229 R C 2.010 178.331 176.300 0.035 0.000 1.128 229 R CA 1.316 57.446 56.100 0.050 0.000 0.960 229 R CB -0.374 29.965 30.300 0.065 0.000 0.855 229 R HN 0.519 nan 8.270 nan 0.000 0.432 230 L N 0.689 121.930 121.223 0.030 0.000 2.127 230 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 230 L C 2.476 179.358 176.870 0.020 0.000 1.089 230 L CA 1.665 56.520 54.840 0.025 0.000 0.757 230 L CB -0.345 41.726 42.059 0.020 0.000 0.899 230 L HN 0.353 nan 8.230 nan 0.000 0.434 231 S N -0.965 114.744 115.700 0.016 0.000 2.501 231 S HA 0.130 4.600 4.470 -0.000 0.000 0.220 231 S C 1.452 176.062 174.600 0.016 0.000 0.997 231 S CA 0.373 58.581 58.200 0.015 0.000 0.919 231 S CB 0.414 63.620 63.200 0.009 0.000 0.778 231 S HN 0.501 nan 8.310 nan 0.000 0.523 232 G N 0.547 109.359 108.800 0.019 0.000 2.204 232 G HA2 0.218 4.178 3.960 -0.000 0.000 0.244 232 G HA3 0.218 4.178 3.960 -0.000 0.000 0.244 232 G C 1.008 175.919 174.900 0.019 0.000 1.062 232 G CA 0.277 45.390 45.100 0.021 0.000 0.798 232 G HN 1.780 nan 8.290 nan 0.000 0.496 233 G N -1.112 107.698 108.800 0.016 0.000 2.179 233 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.260 233 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.260 233 G C 0.580 175.483 174.900 0.005 0.000 0.977 233 G CA 1.062 46.169 45.100 0.012 0.000 0.641 233 G HN 1.650 nan 8.290 nan 0.000 0.533 234 K N 0.989 121.393 120.400 0.006 0.000 2.469 234 K HA 0.441 4.761 4.320 -0.000 0.000 0.274 234 K C 0.876 177.475 176.600 -0.001 0.000 0.983 234 K CA 0.386 56.677 56.287 0.006 0.000 0.974 234 K CB 0.408 32.915 32.500 0.011 0.000 0.913 234 K HN 0.141 nan 8.250 nan 0.000 0.493 235 K N 1.283 121.684 120.400 0.001 0.000 2.354 235 K HA 0.385 4.705 4.320 -0.000 0.000 0.238 235 K C 0.730 177.327 176.600 -0.004 0.000 1.068 235 K CA -0.354 55.930 56.287 -0.005 0.000 0.925 235 K CB 1.179 33.676 32.500 -0.004 0.000 1.286 235 K HN 0.752 nan 8.250 nan 0.000 0.500 236 G N 0.383 109.175 108.800 -0.013 0.000 3.327 236 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.240 236 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.240 236 G C 0.915 175.810 174.900 -0.009 0.000 1.222 236 G CA 0.304 45.394 45.100 -0.017 0.000 0.871 236 G HN 0.598 nan 8.290 nan 0.000 0.525 237 T N -1.686 112.868 114.554 0.002 0.000 2.929 237 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 237 T C 1.538 176.246 174.700 0.013 0.000 1.085 237 T CA 0.731 62.837 62.100 0.009 0.000 1.125 237 T CB 0.017 68.893 68.868 0.013 0.000 0.874 237 T HN 0.220 nan 8.240 nan 0.000 0.494 238 N N 1.484 120.194 118.700 0.016 0.000 2.275 238 N HA 0.432 5.172 4.740 -0.000 0.000 0.236 238 N C 0.025 175.559 175.510 0.040 0.000 1.154 238 N CA -0.044 53.023 53.050 0.028 0.000 0.866 238 N CB 0.687 39.194 38.487 0.033 0.000 1.093 238 N HN 0.523 nan 8.380 nan 0.000 0.515 239 A N 1.132 123.958 122.820 0.010 0.000 2.425 239 A HA 0.354 4.674 4.320 -0.000 0.000 0.249 239 A C 0.360 177.926 177.584 -0.029 0.000 1.084 239 A CA -0.527 51.497 52.037 -0.021 0.000 0.781 239 A CB -0.231 18.705 19.000 -0.106 0.000 1.019 239 A HN 0.299 nan 8.150 nan 0.000 0.490 240 F N 1.801 121.777 119.950 0.044 0.000 2.586 240 F HA 0.513 5.040 4.527 -0.000 0.000 0.344 240 F C 0.594 176.366 175.800 -0.048 0.000 1.188 240 F CA 0.136 58.136 58.000 0.001 0.000 1.359 240 F CB -0.086 38.933 39.000 0.032 0.000 1.129 240 F HN 0.655 nan 8.300 nan 0.000 0.609 241 T N -1.024 113.554 114.554 0.041 0.000 2.865 241 T HA 0.637 4.987 4.350 -0.000 0.000 0.294 241 T C -3.096 171.116 174.700 -0.814 0.000 1.119 241 T CA -2.327 59.528 62.100 -0.410 0.000 1.007 241 T CB 1.578 70.242 68.868 -0.339 0.000 1.225 241 T HN 0.453 nan 8.240 nan 0.000 0.515 242 P HA 0.262 nan 4.420 nan 0.000 0.271 242 P C 0.093 176.675 177.300 -1.196 0.000 1.218 242 P CA -0.186 61.608 63.100 -2.176 0.000 0.780 242 P CB 0.236 30.437 31.700 -2.498 0.000 0.901 243 T N 0.359 114.376 114.554 -0.894 0.000 2.874 243 T HA 0.255 4.605 4.350 -0.000 0.000 0.281 243 T C 0.274 174.891 174.700 -0.139 0.000 0.994 243 T CA -1.088 60.822 62.100 -0.317 0.000 1.015 243 T CB 0.423 69.191 68.868 -0.166 0.000 1.028 243 T HN 0.141 nan 8.240 nan 0.000 0.523 244 K N 1.409 121.810 120.400 0.001 0.000 2.466 244 K HA 0.346 4.666 4.320 -0.000 0.000 0.278 244 K C 0.486 177.107 176.600 0.035 0.000 1.048 244 K CA 0.561 56.881 56.287 0.055 0.000 1.088 244 K CB -0.060 32.446 32.500 0.010 0.000 0.884 244 K HN 0.950 nan 8.250 nan 0.000 0.478 245 G N 2.315 111.159 108.800 0.074 0.000 2.495 245 G HA2 0.182 4.142 3.960 -0.000 0.000 0.294 245 G HA3 0.182 4.142 3.960 -0.000 0.000 0.294 245 G C -1.369 173.573 174.900 0.070 0.000 1.397 245 G CA -0.799 44.333 45.100 0.054 0.000 0.790 245 G HN 0.242 nan 8.290 nan 0.000 0.486 246 K N 0.645 121.074 120.400 0.048 0.000 2.326 246 K HA 0.554 4.874 4.320 -0.000 0.000 0.275 246 K C -0.282 176.337 176.600 0.033 0.000 1.018 246 K CA 0.120 56.434 56.287 0.045 0.000 0.962 246 K CB 1.101 33.632 32.500 0.051 0.000 0.953 246 K HN 0.457 nan 8.250 nan 0.000 0.475 247 T N 0.431 115.016 114.554 0.051 0.000 2.906 247 T HA 0.469 4.819 4.350 -0.000 0.000 0.295 247 T C -1.090 173.631 174.700 0.035 0.000 1.061 247 T CA -0.708 61.426 62.100 0.057 0.000 1.000 247 T CB 2.143 71.144 68.868 0.222 0.000 1.103 247 T HN 0.323 nan 8.240 nan 0.000 0.486 248 V N 2.086 121.999 119.914 -0.002 0.000 2.888 248 V HA 0.701 4.821 4.120 -0.000 0.000 0.309 248 V C -1.468 174.697 176.094 0.118 0.000 1.114 248 V CA -0.552 61.784 62.300 0.061 0.000 0.940 248 V CB 2.173 34.008 31.823 0.020 0.000 1.021 248 V HN 0.727 nan 8.190 nan 0.000 0.426 249 V N 7.427 127.419 119.914 0.131 0.000 2.384 249 V HA 0.536 4.656 4.120 -0.000 0.000 0.287 249 V C -0.369 175.769 176.094 0.073 0.000 1.020 249 V CA -0.424 61.892 62.300 0.027 0.000 0.850 249 V CB 1.467 33.172 31.823 -0.196 0.000 0.987 249 V HN 0.684 nan 8.190 nan 0.000 0.436 250 L N 4.234 125.478 121.223 0.034 0.000 2.353 250 L HA 0.493 4.833 4.340 -0.000 0.000 0.270 250 L C 0.072 176.790 176.870 -0.253 0.000 1.003 250 L CA 0.011 54.829 54.840 -0.037 0.000 0.862 250 L CB 1.673 43.666 42.059 -0.110 0.000 1.221 250 L HN 0.580 nan 8.230 nan 0.000 0.430 251 S N 1.198 116.869 115.700 -0.048 0.000 2.433 251 S HA 0.608 5.078 4.470 -0.000 0.000 0.310 251 S C 0.733 175.431 174.600 0.163 0.000 1.097 251 S CA -0.223 58.005 58.200 0.048 0.000 1.103 251 S CB 1.345 64.633 63.200 0.147 0.000 0.992 251 S HN 0.765 nan 8.310 nan 0.000 0.469 252 G N 2.289 111.115 108.800 0.044 0.000 2.815 252 G HA2 0.142 4.102 3.960 -0.000 0.000 0.215 252 G HA3 0.142 4.102 3.960 -0.000 0.000 0.215 252 G C 0.397 175.378 174.900 0.136 0.000 1.054 252 G CA -0.114 45.100 45.100 0.190 0.000 0.832 252 G HN 0.657 nan 8.290 nan 0.000 0.557 253 S N -0.366 115.383 115.700 0.081 0.000 2.562 253 S HA 0.236 4.706 4.470 -0.000 0.000 0.281 253 S C 0.683 175.327 174.600 0.074 0.000 1.333 253 S CA -0.293 57.935 58.200 0.048 0.000 1.052 253 S CB 0.497 63.695 63.200 -0.002 0.000 0.884 253 S HN 0.216 nan 8.310 nan 0.000 0.506 254 C N 4.084 123.413 119.300 0.049 0.000 2.638 254 C HA 0.424 4.884 4.460 -0.000 0.000 0.282 254 C C 0.930 175.937 174.990 0.028 0.000 1.473 254 C CA -0.655 58.397 59.018 0.056 0.000 1.781 254 C CB -1.770 26.004 27.740 0.057 0.000 2.780 254 C HN 0.753 nan 8.230 nan 0.000 0.531 255 S N 0.963 116.667 115.700 0.007 0.000 2.617 255 S HA 0.218 4.688 4.470 -0.000 0.000 0.269 255 S C 1.644 176.240 174.600 -0.007 0.000 1.292 255 S CA -0.276 57.915 58.200 -0.014 0.000 1.010 255 S CB 1.137 64.308 63.200 -0.049 0.000 0.944 255 S HN 0.493 nan 8.310 nan 0.000 0.536 256 V N 1.117 121.025 119.914 -0.010 0.000 2.278 256 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 256 V C 2.089 178.174 176.094 -0.015 0.000 1.062 256 V CA 2.173 64.469 62.300 -0.006 0.000 1.038 256 V CB -0.979 30.839 31.823 -0.007 0.000 0.646 256 V HN 0.807 nan 8.190 nan 0.000 0.447 257 M N 1.579 121.158 119.600 -0.035 0.000 2.132 257 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 257 M C 2.075 178.339 176.300 -0.059 0.000 1.065 257 M CA 2.507 57.775 55.300 -0.054 0.000 1.122 257 M CB -1.366 31.187 32.600 -0.079 0.000 1.365 257 M HN 0.488 nan 8.290 nan 0.000 0.411 258 T N 0.714 115.240 114.554 -0.047 0.000 2.777 258 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 258 T C 1.822 176.555 174.700 0.055 0.000 1.040 258 T CA 1.452 63.549 62.100 -0.005 0.000 1.141 258 T CB -0.442 68.441 68.868 0.025 0.000 0.868 258 T HN 0.466 nan 8.240 nan 0.000 0.444 259 N N 0.933 119.660 118.700 0.045 0.000 2.149 259 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 259 N C 1.836 177.370 175.510 0.040 0.000 1.019 259 N CA 1.060 54.144 53.050 0.056 0.000 0.857 259 N CB -0.004 38.511 38.487 0.048 0.000 0.997 259 N HN 0.465 nan 8.380 nan 0.000 0.426 260 K N 0.769 121.181 120.400 0.019 0.000 2.116 260 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 260 K C 2.039 178.650 176.600 0.019 0.000 1.052 260 K CA 0.749 57.042 56.287 0.010 0.000 0.952 260 K CB -0.020 32.476 32.500 -0.006 0.000 0.729 260 K HN 0.243 nan 8.250 nan 0.000 0.446 261 Q N 0.367 120.172 119.800 0.007 0.000 2.167 261 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 261 Q C 2.060 178.187 176.000 0.212 0.000 0.970 261 Q CA 1.017 56.816 55.803 -0.006 0.000 0.855 261 Q CB 0.093 28.682 28.738 -0.248 0.000 0.911 261 Q HN 0.081 nan 8.270 nan 0.000 0.438 262 V N 0.755 120.803 119.914 0.223 0.000 2.407 262 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 262 V C 2.167 178.259 176.094 -0.003 0.000 1.041 262 V CA 1.370 63.761 62.300 0.150 0.000 1.040 262 V CB -0.327 31.481 31.823 -0.026 0.000 0.671 262 V HN 0.308 nan 8.190 nan 0.000 0.455 263 E N 0.145 120.342 120.200 -0.005 0.000 2.204 263 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 263 E C 2.185 178.776 176.600 -0.015 0.000 0.990 263 E CA 0.923 57.305 56.400 -0.030 0.000 0.821 263 E CB 0.022 29.720 29.700 -0.003 0.000 0.750 263 E HN 0.361 nan 8.360 nan 0.000 0.477 264 K N -0.600 119.823 120.400 0.039 0.000 2.262 264 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 264 K C 1.844 178.501 176.600 0.095 0.000 1.049 264 K CA 0.259 56.576 56.287 0.051 0.000 0.979 264 K CB -0.022 32.509 32.500 0.052 0.000 0.773 264 K HN 0.127 nan 8.250 nan 0.000 0.474 265 Y N 2.324 122.624 120.300 -0.001 0.000 2.314 265 Y HA -0.065 4.485 4.550 -0.000 0.000 0.294 265 Y C 2.025 177.882 175.900 -0.072 0.000 1.119 265 Y CA 1.267 59.367 58.100 0.001 0.000 1.179 265 Y CB 0.039 38.592 38.460 0.155 0.000 1.025 265 Y HN 0.040 nan 8.280 nan 0.000 0.541 266 R N 0.361 120.716 120.500 -0.241 0.000 2.293 266 R HA -0.160 4.180 4.340 -0.000 0.000 0.219 266 R C 1.843 177.876 176.300 -0.445 0.000 1.091 266 R CA 1.759 57.508 56.100 -0.585 0.000 1.004 266 R CB -0.690 29.113 30.300 -0.827 0.000 0.865 266 R HN 0.456 nan 8.270 nan 0.000 0.469 267 E N 0.906 120.972 120.200 -0.223 0.000 2.230 267 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 267 E C 0.958 177.523 176.600 -0.057 0.000 0.987 267 E CA 0.555 56.898 56.400 -0.097 0.000 0.841 267 E CB 0.325 29.997 29.700 -0.047 0.000 0.783 267 E HN 0.229 nan 8.360 nan 0.000 0.481 268 K N -0.272 120.047 120.400 -0.135 0.000 2.348 268 K HA 0.270 4.590 4.320 -0.000 0.000 0.194 268 K C 0.271 176.834 176.600 -0.061 0.000 1.052 268 K CA 0.447 56.697 56.287 -0.063 0.000 1.004 268 K CB 1.496 33.950 32.500 -0.077 0.000 0.873 268 K HN 0.087 nan 8.250 nan 0.000 0.523 269 A N 1.377 124.035 122.820 -0.269 0.000 2.593 269 A HA 0.594 4.914 4.320 -0.000 0.000 0.290 269 A C -2.881 174.772 177.584 0.116 0.000 1.126 269 A CA -1.471 50.495 52.037 -0.118 0.000 0.695 269 A CB 1.052 19.884 19.000 -0.281 0.000 1.290 269 A HN -0.209 nan 8.150 nan 0.000 0.414 270 P HA 0.245 nan 4.420 nan 0.000 0.264 270 P C -1.158 176.476 177.300 0.555 0.000 1.193 270 P CA 0.793 64.046 63.100 0.255 0.000 0.763 270 P CB 0.091 31.803 31.700 0.021 0.000 0.810 271 H N 1.678 121.065 119.070 0.527 0.000 2.771 271 H HA 0.522 5.078 4.556 -0.000 0.000 0.361 271 H C -1.808 173.696 175.328 0.294 0.000 1.108 271 H CA -0.933 55.403 56.048 0.479 0.000 1.201 271 H CB 1.216 31.171 29.762 0.322 0.000 1.681 271 H HN 0.225 nan 8.280 nan 0.000 0.534 272 F N 2.801 122.672 119.950 -0.131 0.000 2.496 272 F HA 0.211 4.738 4.527 0.000 0.000 0.341 272 F C -0.024 175.474 175.800 -0.503 0.000 1.134 272 F CA -0.636 56.989 58.000 -0.626 0.000 0.968 272 F CB 1.871 39.924 39.000 -1.579 0.000 1.205 272 F HN 0.694 nan 8.300 nan 0.000 0.436 273 Q N 6.449 125.974 119.800 -0.458 0.000 2.286 273 Q HA 0.245 4.585 4.340 -0.000 0.000 0.267 273 Q C -0.823 175.023 176.000 -0.256 0.000 1.028 273 Q CA -0.356 54.951 55.803 -0.826 0.000 0.901 273 Q CB 0.862 29.222 28.738 -0.629 0.000 1.183 273 Q HN 0.868 nan 8.270 nan 0.000 0.392 274 L N 4.807 125.886 121.223 -0.240 0.000 2.433 274 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 274 L C -0.503 176.345 176.870 -0.036 0.000 1.128 274 L CA -0.060 54.752 54.840 -0.047 0.000 0.875 274 L CB 0.499 42.441 42.059 -0.196 0.000 1.171 274 L HN 0.702 nan 8.230 nan 0.000 0.463 275 D N 3.333 123.771 120.400 0.062 0.000 2.249 275 D HA 0.122 4.762 4.640 -0.000 0.000 0.246 275 D C 0.944 177.116 176.300 -0.213 0.000 1.114 275 D CA -0.494 53.454 54.000 -0.087 0.000 0.854 275 D CB 1.730 42.472 40.800 -0.098 0.000 1.132 275 D HN 0.323 nan 8.370 nan 0.000 0.461 276 V N 3.912 123.669 119.914 -0.262 0.000 2.515 276 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 276 V C 2.258 177.954 176.094 -0.663 0.000 1.058 276 V CA 1.272 63.321 62.300 -0.419 0.000 1.064 276 V CB -0.521 31.047 31.823 -0.424 0.000 0.675 276 V HN 0.684 nan 8.190 nan 0.000 0.461 277 E N 0.041 119.847 120.200 -0.657 0.000 2.077 277 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 277 E C 2.304 178.627 176.600 -0.461 0.000 0.989 277 E CA 1.177 57.221 56.400 -0.593 0.000 0.800 277 E CB -0.029 29.559 29.700 -0.185 0.000 0.746 277 E HN 0.568 nan 8.360 nan 0.000 0.452 278 Q N -0.518 118.977 119.800 -0.507 0.000 2.172 278 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 278 Q C 2.001 177.570 176.000 -0.717 0.000 0.964 278 Q CA 0.953 56.336 55.803 -0.700 0.000 0.855 278 Q CB -0.144 27.852 28.738 -1.238 0.000 0.918 278 Q HN 0.244 nan 8.270 nan 0.000 0.444 279 A N 0.702 123.183 122.820 -0.565 0.000 1.972 279 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 279 A C 2.013 179.451 177.584 -0.242 0.000 1.169 279 A CA 1.017 52.892 52.037 -0.269 0.000 0.635 279 A CB -0.383 18.501 19.000 -0.193 0.000 0.810 279 A HN 0.304 nan 8.150 nan 0.000 0.446 280 I N -2.447 117.899 120.570 -0.373 0.000 2.628 280 I HA -0.046 4.124 4.170 -0.000 0.000 0.255 280 I C 2.108 178.049 176.117 -0.293 0.000 1.119 280 I CA 0.999 62.076 61.300 -0.372 0.000 1.448 280 I CB -0.306 37.338 38.000 -0.593 0.000 1.133 280 I HN 0.383 nan 8.210 nan 0.000 0.438 281 H N -0.945 118.041 119.070 -0.140 0.000 2.604 281 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 281 H C 0.742 176.016 175.328 -0.090 0.000 0.971 281 H CA -0.298 55.694 56.048 -0.093 0.000 1.249 281 H CB 0.415 30.130 29.762 -0.079 0.000 1.449 281 H HN 0.067 nan 8.280 nan 0.000 0.512 282 N N 1.719 120.403 118.700 -0.026 0.000 2.408 282 N HA -0.038 4.702 4.740 -0.000 0.000 0.257 282 N C 0.384 175.910 175.510 0.027 0.000 1.064 282 N CA 0.185 53.228 53.050 -0.012 0.000 0.952 282 N CB 0.966 39.407 38.487 -0.076 0.000 1.093 282 N HN 0.318 nan 8.380 nan 0.000 0.490 283 E N 2.011 122.235 120.200 0.039 0.000 2.274 283 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 283 E C 0.189 176.822 176.600 0.054 0.000 0.996 283 E CA 0.557 56.980 56.400 0.039 0.000 0.840 283 E CB 0.236 29.951 29.700 0.025 0.000 0.772 283 E HN 0.576 nan 8.360 nan 0.000 0.491 284 N N 0.018 118.762 118.700 0.074 0.000 2.322 284 N HA -0.046 4.694 4.740 -0.000 0.000 0.194 284 N C 0.862 176.442 175.510 0.117 0.000 1.126 284 N CA 0.129 53.225 53.050 0.076 0.000 0.845 284 N CB 0.193 38.720 38.487 0.068 0.000 0.976 284 N HN 0.186 nan 8.380 nan 0.000 0.475 285 Y N 1.876 122.154 120.300 -0.037 0.000 2.181 285 Y HA -0.045 4.505 4.550 -0.000 0.000 0.288 285 Y C 2.065 177.908 175.900 -0.094 0.000 1.146 285 Y CA 1.037 59.097 58.100 -0.066 0.000 1.164 285 Y CB -0.192 38.216 38.460 -0.086 0.000 0.982 285 Y HN 0.001 nan 8.280 nan 0.000 0.515 286 I N -0.494 120.057 120.570 -0.031 0.000 2.315 286 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 286 I C 2.268 178.340 176.117 -0.075 0.000 1.117 286 I CA 1.627 62.865 61.300 -0.102 0.000 1.404 286 I CB -0.257 37.714 38.000 -0.048 0.000 1.071 286 I HN 0.112 nan 8.210 nan 0.000 0.419 287 E N 0.907 121.087 120.200 -0.032 0.000 2.107 287 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 287 E C 2.130 178.752 176.600 0.037 0.000 0.982 287 E CA 1.231 57.641 56.400 0.017 0.000 0.809 287 E CB -0.091 29.619 29.700 0.017 0.000 0.756 287 E HN 0.390 nan 8.360 nan 0.000 0.459 288 Q N -0.099 119.677 119.800 -0.040 0.000 2.046 288 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 288 Q C 2.223 178.123 176.000 -0.167 0.000 0.975 288 Q CA 1.485 57.251 55.803 -0.061 0.000 0.836 288 Q CB -0.120 28.584 28.738 -0.056 0.000 0.896 288 Q HN 0.367 nan 8.270 nan 0.000 0.428 289 L N -0.158 120.821 121.223 -0.407 0.000 2.046 289 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 289 L C 2.503 179.297 176.870 -0.127 0.000 1.077 289 L CA 1.475 56.000 54.840 -0.525 0.000 0.747 289 L CB -0.716 40.937 42.059 -0.678 0.000 0.896 289 L HN 0.355 nan 8.230 nan 0.000 0.432 290 Y N 0.807 121.013 120.300 -0.158 0.000 2.145 290 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 290 Y C 2.798 178.642 175.900 -0.093 0.000 1.145 290 Y CA 1.595 59.639 58.100 -0.093 0.000 1.148 290 Y CB -0.177 38.232 38.460 -0.084 0.000 0.981 290 Y HN 0.140 nan 8.280 nan 0.000 0.507 291 Q N -0.686 119.060 119.800 -0.091 0.000 2.084 291 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 291 Q C 2.142 178.054 176.000 -0.147 0.000 0.978 291 Q CA 2.011 57.707 55.803 -0.179 0.000 0.844 291 Q CB -1.267 27.472 28.738 0.002 0.000 0.898 291 Q HN 0.796 nan 8.270 nan 0.000 0.426 292 W N 1.125 122.302 121.300 -0.205 0.000 2.335 292 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 292 W C 2.030 178.452 176.519 -0.162 0.000 1.213 292 W CA 1.639 58.900 57.345 -0.141 0.000 1.274 292 W CB -0.239 29.154 29.460 -0.112 0.000 1.148 292 W HN -0.118 nan 8.180 nan 0.000 0.498 293 V N 2.608 122.568 119.914 0.078 0.000 2.233 293 V HA -0.373 3.747 4.120 -0.000 0.000 0.247 293 V C 2.384 178.285 176.094 -0.322 0.000 1.050 293 V CA 2.624 64.872 62.300 -0.087 0.000 1.010 293 V CB -1.327 30.515 31.823 0.033 0.000 0.637 293 V HN 0.460 nan 8.190 nan 0.000 0.444 294 I N -0.224 120.077 120.570 -0.449 0.000 2.454 294 I HA -0.092 4.077 4.170 -0.000 0.000 0.254 294 I C 2.128 178.035 176.117 -0.350 0.000 1.156 294 I CA 1.835 62.832 61.300 -0.506 0.000 1.433 294 I CB -0.592 36.789 38.000 -1.032 0.000 1.082 294 I HN 0.170 nan 8.210 nan 0.000 0.432 295 A N 0.838 123.440 122.820 -0.362 0.000 2.238 295 A HA 0.117 4.437 4.320 -0.000 0.000 0.208 295 A C 1.352 178.734 177.584 -0.336 0.000 1.177 295 A CA 0.425 52.286 52.037 -0.293 0.000 0.804 295 A CB -0.411 18.434 19.000 -0.258 0.000 0.823 295 A HN 0.560 nan 8.150 nan 0.000 0.482 296 N N -0.417 118.024 118.700 -0.432 0.000 2.299 296 N HA 0.236 4.976 4.740 -0.000 0.000 0.246 296 N C 0.396 175.745 175.510 -0.268 0.000 1.254 296 N CA -0.022 52.769 53.050 -0.433 0.000 0.879 296 N CB 0.715 38.727 38.487 -0.792 0.000 1.214 296 N HN 0.357 nan 8.380 nan 0.000 0.510 297 L N -0.105 121.006 121.223 -0.186 0.000 2.599 297 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 297 L C 0.202 177.036 176.870 -0.059 0.000 1.141 297 L CA 0.866 55.653 54.840 -0.089 0.000 0.877 297 L CB 0.136 42.173 42.059 -0.036 0.000 1.009 297 L HN -0.090 nan 8.230 nan 0.000 0.447 298 D N -1.792 118.558 120.400 -0.084 0.000 2.398 298 D HA 0.048 4.688 4.640 -0.000 0.000 0.210 298 D C 0.823 177.076 176.300 -0.079 0.000 1.094 298 D CA 0.009 53.967 54.000 -0.070 0.000 0.839 298 D CB 0.612 41.372 40.800 -0.066 0.000 0.963 298 D HN -0.017 nan 8.370 nan 0.000 0.506 299 S N 0.509 116.159 115.700 -0.082 0.000 2.608 299 S HA -0.012 4.458 4.470 -0.000 0.000 0.261 299 S C 1.582 176.120 174.600 -0.103 0.000 1.314 299 S CA -0.416 57.735 58.200 -0.081 0.000 0.992 299 S CB 0.798 63.964 63.200 -0.056 0.000 0.935 299 S HN 0.311 nan 8.310 nan 0.000 0.564 300 E N 0.154 120.252 120.200 -0.171 0.000 2.077 300 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 300 E C -0.507 175.846 176.600 -0.411 0.000 0.989 300 E CA 1.153 57.342 56.400 -0.352 0.000 0.800 300 E CB -0.150 29.247 29.700 -0.505 0.000 0.746 300 E HN 0.395 nan 8.360 nan 0.000 0.452 301 F N 1.007 120.965 119.950 0.012 0.000 2.469 301 F HA 0.506 5.033 4.527 -0.000 0.000 0.332 301 F C 0.359 176.227 175.800 0.113 0.000 1.103 301 F CA -1.657 56.396 58.000 0.089 0.000 0.979 301 F CB 1.467 40.557 39.000 0.149 0.000 1.137 301 F HN 0.009 nan 8.300 nan 0.000 0.463 302 A N 5.084 128.142 122.820 0.396 0.000 2.587 302 A HA 0.277 4.597 4.320 -0.000 0.000 0.233 302 A C -2.255 175.506 177.584 0.296 0.000 1.049 302 A CA -0.787 51.413 52.037 0.273 0.000 0.754 302 A CB -0.880 18.275 19.000 0.258 0.000 0.977 302 A HN 0.435 nan 8.150 nan 0.000 0.509 303 P HA 0.232 nan 4.420 nan 0.000 0.275 303 P C -0.627 176.917 177.300 0.406 0.000 1.228 303 P CA -0.036 63.214 63.100 0.249 0.000 0.786 303 P CB 0.907 32.613 31.700 0.011 0.000 0.927 304 M N 3.202 123.122 119.600 0.534 0.000 2.253 304 M HA 0.347 4.827 4.480 -0.000 0.000 0.314 304 M C -1.718 174.890 176.300 0.513 0.000 1.019 304 M CA -0.856 54.715 55.300 0.452 0.000 0.932 304 M CB 1.650 34.476 32.600 0.377 0.000 1.606 304 M HN -0.037 nan 8.290 nan 0.000 0.430 305 V N 6.757 126.917 119.914 0.411 0.000 2.350 305 V HA 0.466 4.586 4.120 -0.000 0.000 0.276 305 V C -1.023 175.360 176.094 0.481 0.000 1.028 305 V CA -0.416 62.066 62.300 0.303 0.000 0.860 305 V CB 0.410 32.335 31.823 0.171 0.000 0.990 305 V HN 0.829 nan 8.190 nan 0.000 0.453 306 Y N 2.446 122.897 120.300 0.251 0.000 2.524 306 Y HA 0.845 5.395 4.550 0.000 0.000 0.347 306 Y C 0.434 176.485 175.900 0.251 0.000 1.005 306 Y CA -0.834 57.445 58.100 0.299 0.000 1.025 306 Y CB 2.109 40.688 38.460 0.199 0.000 1.275 306 Y HN 0.429 nan 8.280 nan 0.000 0.460 307 A N 0.973 124.018 122.820 0.374 0.000 2.197 307 A HA 0.170 4.490 4.320 -0.000 0.000 0.210 307 A C 0.606 178.334 177.584 0.240 0.000 1.180 307 A CA 0.113 52.268 52.037 0.197 0.000 0.846 307 A CB -0.608 18.538 19.000 0.243 0.000 0.884 307 A HN 0.774 nan 8.150 nan 0.000 0.487 308 T N 1.992 116.769 114.554 0.372 0.000 2.704 308 T HA 0.331 4.681 4.350 -0.000 0.000 0.271 308 T C 0.027 174.903 174.700 0.293 0.000 1.000 308 T CA 1.069 63.357 62.100 0.314 0.000 1.216 308 T CB -0.600 68.455 68.868 0.312 0.000 0.961 308 T HN 0.761 nan 8.240 nan 0.000 0.515 309 V N 2.331 122.354 119.914 0.181 0.000 3.007 309 V HA 0.688 4.808 4.120 -0.000 0.000 0.311 309 V C -2.960 173.194 176.094 0.100 0.000 1.120 309 V CA -3.495 58.892 62.300 0.144 0.000 0.980 309 V CB 1.805 33.696 31.823 0.114 0.000 1.033 309 V HN 0.345 nan 8.190 nan 0.000 0.429 310 P HA 0.132 nan 4.420 nan 0.000 0.264 310 P C -1.963 175.369 177.300 0.053 0.000 1.179 310 P CA -0.642 62.494 63.100 0.061 0.000 0.763 310 P CB 0.112 31.845 31.700 0.055 0.000 0.806 311 P HA -0.238 nan 4.420 nan 0.000 0.222 311 P C 0.893 178.216 177.300 0.038 0.000 1.142 311 P CA 1.463 64.583 63.100 0.035 0.000 0.788 311 P CB 0.126 31.841 31.700 0.026 0.000 0.767 312 D N 0.606 121.031 120.400 0.041 0.000 2.110 312 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 312 D C 2.121 178.451 176.300 0.051 0.000 0.975 312 D CA 1.337 55.363 54.000 0.044 0.000 0.839 312 D CB -0.666 40.158 40.800 0.039 0.000 0.996 312 D HN -0.016 nan 8.370 nan 0.000 0.464 313 A N -0.131 122.721 122.820 0.053 0.000 2.019 313 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 313 A C 2.122 179.742 177.584 0.061 0.000 1.164 313 A CA 1.112 53.185 52.037 0.059 0.000 0.644 313 A CB -0.749 18.289 19.000 0.063 0.000 0.805 313 A HN 0.417 nan 8.150 nan 0.000 0.449 314 L N -0.236 121.019 121.223 0.053 0.000 2.044 314 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 314 L C 2.203 179.085 176.870 0.019 0.000 1.075 314 L CA 2.410 57.275 54.840 0.043 0.000 0.747 314 L CB -0.473 41.608 42.059 0.036 0.000 0.903 314 L HN 0.367 nan 8.230 nan 0.000 0.435 315 K N -0.677 119.735 120.400 0.021 0.000 2.209 315 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 315 K C 1.871 178.499 176.600 0.047 0.000 1.048 315 K CA 1.091 57.381 56.287 0.004 0.000 0.940 315 K CB -0.116 32.429 32.500 0.075 0.000 0.729 315 K HN 0.491 nan 8.250 nan 0.000 0.451 316 A N 0.749 123.613 122.820 0.073 0.000 1.968 316 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 316 A C 1.921 179.547 177.584 0.070 0.000 1.169 316 A CA 0.895 52.984 52.037 0.087 0.000 0.638 316 A CB -0.251 18.789 19.000 0.068 0.000 0.812 316 A HN 0.271 nan 8.150 nan 0.000 0.446 317 I N -0.783 119.835 120.570 0.079 0.000 2.333 317 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 317 I C 2.598 178.782 176.117 0.112 0.000 1.106 317 I CA 0.943 62.339 61.300 0.160 0.000 1.411 317 I CB -0.406 37.707 38.000 0.189 0.000 1.082 317 I HN 0.390 nan 8.210 nan 0.000 0.420 318 Q N 0.125 119.911 119.800 -0.022 0.000 2.181 318 Q HA -0.190 4.150 4.340 -0.000 0.000 0.205 318 Q C 0.909 176.778 176.000 -0.219 0.000 0.980 318 Q CA 1.046 56.757 55.803 -0.153 0.000 0.862 318 Q CB -0.072 28.473 28.738 -0.321 0.000 0.905 318 Q HN 0.587 nan 8.270 nan 0.000 0.429 319 H N -0.970 118.113 119.070 0.021 0.000 2.550 319 H HA 0.189 4.745 4.556 -0.000 0.000 0.304 319 H C 0.723 176.012 175.328 -0.065 0.000 1.086 319 H CA 0.312 56.353 56.048 -0.013 0.000 1.089 319 H CB 0.544 30.299 29.762 -0.011 0.000 1.528 319 H HN 0.365 nan 8.280 nan 0.000 0.539 320 Q N -1.151 118.626 119.800 -0.039 0.000 2.225 320 Q HA 0.072 4.412 4.340 -0.000 0.000 0.230 320 Q C 0.165 175.911 176.000 -0.424 0.000 0.729 320 Q CA 0.114 55.761 55.803 -0.261 0.000 0.918 320 Q CB 0.652 29.148 28.738 -0.404 0.000 1.262 320 Q HN 0.138 nan 8.270 nan 0.000 0.473 321 F N 0.197 120.150 119.950 0.005 0.000 2.724 321 F HA 0.500 5.027 4.527 -0.000 0.000 0.306 321 F C 0.684 176.480 175.800 -0.007 0.000 1.100 321 F CA 0.734 58.729 58.000 -0.009 0.000 1.255 321 F CB 1.828 40.806 39.000 -0.035 0.000 1.072 321 F HN 0.124 nan 8.300 nan 0.000 0.589 322 G N 0.415 109.293 108.800 0.130 0.000 2.907 322 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 322 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 322 G C 0.375 175.309 174.900 0.055 0.000 1.115 322 G CA -0.548 44.599 45.100 0.079 0.000 0.760 322 G HN -0.061 nan 8.290 nan 0.000 0.620 323 V N 1.593 121.511 119.914 0.007 0.000 2.282 323 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 323 V C 2.449 178.551 176.094 0.013 0.000 1.057 323 V CA 2.730 65.021 62.300 -0.015 0.000 1.032 323 V CB -0.393 31.410 31.823 -0.033 0.000 0.645 323 V HN 0.819 nan 8.190 nan 0.000 0.447 324 D N -0.979 119.446 120.400 0.042 0.000 2.213 324 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 324 D C 2.288 178.677 176.300 0.147 0.000 0.961 324 D CA 0.761 54.808 54.000 0.079 0.000 0.853 324 D CB 0.038 40.903 40.800 0.108 0.000 0.967 324 D HN 0.428 nan 8.370 nan 0.000 0.496 325 Q N 1.052 120.918 119.800 0.111 0.000 2.079 325 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 325 Q C 2.089 178.124 176.000 0.058 0.000 0.974 325 Q CA 1.335 57.195 55.803 0.096 0.000 0.840 325 Q CB -0.384 28.404 28.738 0.084 0.000 0.898 325 Q HN 0.209 nan 8.270 nan 0.000 0.430 326 A N -0.492 122.353 122.820 0.042 0.000 1.970 326 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 326 A C 2.198 179.772 177.584 -0.016 0.000 1.170 326 A CA 1.428 53.453 52.037 -0.020 0.000 0.645 326 A CB -0.675 18.332 19.000 0.013 0.000 0.816 326 A HN 0.316 nan 8.150 nan 0.000 0.447 327 S N -1.238 114.461 115.700 -0.002 0.000 2.368 327 S HA -0.189 4.281 4.470 -0.000 0.000 0.224 327 S C 2.037 176.605 174.600 -0.053 0.000 1.029 327 S CA 1.326 59.501 58.200 -0.040 0.000 0.988 327 S CB -0.565 62.582 63.200 -0.088 0.000 0.838 327 S HN 0.705 nan 8.310 nan 0.000 0.462 328 H N 0.893 119.954 119.070 -0.015 0.000 2.326 328 H HA 0.066 4.622 4.556 0.000 0.000 0.301 328 H C 2.539 177.847 175.328 -0.033 0.000 1.081 328 H CA 1.386 57.423 56.048 -0.017 0.000 1.334 328 H CB -0.797 28.952 29.762 -0.021 0.000 1.385 328 H HN 0.525 nan 8.280 nan 0.000 0.504 329 A N 1.279 124.139 122.820 0.066 0.000 1.892 329 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 329 A C 2.682 180.236 177.584 -0.050 0.000 1.188 329 A CA 1.715 53.732 52.037 -0.033 0.000 0.631 329 A CB -0.931 17.992 19.000 -0.128 0.000 0.822 329 A HN 0.320 nan 8.150 nan 0.000 0.447 330 I N -0.756 119.785 120.570 -0.048 0.000 2.179 330 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 330 I C 2.579 178.723 176.117 0.045 0.000 1.088 330 I CA 1.774 63.039 61.300 -0.059 0.000 1.357 330 I CB -0.509 37.505 38.000 0.024 0.000 1.051 330 I HN 0.440 nan 8.210 nan 0.000 0.409 331 E N 0.706 120.965 120.200 0.098 0.000 2.077 331 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 331 E C 1.934 178.604 176.600 0.117 0.000 0.989 331 E CA 1.041 57.524 56.400 0.139 0.000 0.800 331 E CB -0.108 29.619 29.700 0.044 0.000 0.746 331 E HN 0.437 nan 8.360 nan 0.000 0.452 332 N N 0.136 118.883 118.700 0.078 0.000 2.188 332 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 332 N C 1.824 177.352 175.510 0.030 0.000 1.018 332 N CA 1.258 54.343 53.050 0.059 0.000 0.858 332 N CB -0.322 38.196 38.487 0.051 0.000 0.989 332 N HN 0.105 nan 8.380 nan 0.000 0.426 333 T N 0.829 115.371 114.554 -0.020 0.000 2.701 333 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 333 T C 1.666 176.332 174.700 -0.057 0.000 1.040 333 T CA 0.805 62.851 62.100 -0.090 0.000 1.147 333 T CB -0.330 68.416 68.868 -0.203 0.000 0.865 333 T HN 0.073 nan 8.240 nan 0.000 0.426 334 F N 1.794 121.755 119.950 0.018 0.000 2.134 334 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 334 F C 2.643 178.464 175.800 0.035 0.000 1.097 334 F CA 0.589 58.610 58.000 0.035 0.000 1.264 334 F CB -1.112 37.913 39.000 0.042 0.000 1.001 334 F HN 0.130 nan 8.300 nan 0.000 0.479 335 A N -0.144 122.802 122.820 0.210 0.000 1.877 335 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 335 A C 2.247 179.871 177.584 0.066 0.000 1.186 335 A CA 1.815 53.912 52.037 0.101 0.000 0.620 335 A CB -0.646 18.390 19.000 0.061 0.000 0.822 335 A HN 0.337 nan 8.150 nan 0.000 0.443 336 K N -1.079 119.352 120.400 0.052 0.000 2.217 336 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 336 K C 1.849 178.475 176.600 0.042 0.000 1.051 336 K CA 1.027 57.328 56.287 0.024 0.000 0.952 336 K CB -0.212 32.288 32.500 -0.000 0.000 0.736 336 K HN 0.401 nan 8.250 nan 0.000 0.453 337 L N 0.861 122.132 121.223 0.081 0.000 2.072 337 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 337 L C 2.140 179.145 176.870 0.225 0.000 1.079 337 L CA 1.587 56.507 54.840 0.132 0.000 0.752 337 L CB -0.636 41.496 42.059 0.122 0.000 0.906 337 L HN 0.058 nan 8.230 nan 0.000 0.436 338 A N -0.348 122.617 122.820 0.240 0.000 1.933 338 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 338 A C 2.421 180.132 177.584 0.211 0.000 1.175 338 A CA 1.769 53.985 52.037 0.299 0.000 0.628 338 A CB -1.093 17.991 19.000 0.141 0.000 0.814 338 A HN 0.578 nan 8.150 nan 0.000 0.444 339 A N -0.251 122.629 122.820 0.101 0.000 1.930 339 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 339 A C 2.107 179.754 177.584 0.106 0.000 1.175 339 A CA 1.626 53.696 52.037 0.055 0.000 0.627 339 A CB -0.336 18.664 19.000 -0.001 0.000 0.815 339 A HN 0.539 nan 8.150 nan 0.000 0.443 340 K N -0.290 120.171 120.400 0.102 0.000 2.057 340 K HA 0.036 4.356 4.320 -0.000 0.000 0.206 340 K C 1.803 178.591 176.600 0.312 0.000 1.050 340 K CA 1.187 57.507 56.287 0.055 0.000 0.935 340 K CB -0.353 32.034 32.500 -0.188 0.000 0.715 340 K HN 0.441 nan 8.250 nan 0.000 0.439 341 L N 1.202 122.681 121.223 0.426 0.000 2.093 341 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 341 L C 2.620 179.781 176.870 0.485 0.000 1.085 341 L CA 1.189 56.324 54.840 0.493 0.000 0.755 341 L CB -0.351 41.957 42.059 0.414 0.000 0.904 341 L HN 0.164 nan 8.230 nan 0.000 0.435 342 K N 0.057 120.750 120.400 0.488 0.000 2.057 342 K HA -0.249 4.071 4.320 -0.000 0.000 0.206 342 K C 2.228 179.002 176.600 0.291 0.000 1.050 342 K CA 1.416 57.973 56.287 0.449 0.000 0.935 342 K CB 0.075 32.793 32.500 0.364 0.000 0.715 342 K HN 0.086 nan 8.250 nan 0.000 0.439 343 Q N -0.073 119.873 119.800 0.243 0.000 2.124 343 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 343 Q C 1.762 177.891 176.000 0.215 0.000 0.977 343 Q CA 1.625 57.536 55.803 0.179 0.000 0.850 343 Q CB -0.496 28.318 28.738 0.126 0.000 0.901 343 Q HN 0.466 nan 8.270 nan 0.000 0.429 344 Y N -1.030 119.388 120.300 0.197 0.000 2.242 344 Y HA 0.073 4.623 4.550 -0.000 0.000 0.291 344 Y C 1.232 177.211 175.900 0.132 0.000 1.137 344 Y CA 2.007 60.226 58.100 0.199 0.000 1.181 344 Y CB 0.154 38.795 38.460 0.301 0.000 0.989 344 Y HN 0.215 nan 8.280 nan 0.000 0.527 345 G N -0.936 107.909 108.800 0.073 0.000 2.507 345 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.205 345 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.205 345 G C -0.766 174.176 174.900 0.069 0.000 0.996 345 G CA -0.101 44.978 45.100 -0.035 0.000 0.776 345 G HN 0.189 nan 8.290 nan 0.000 0.532 346 V N 2.424 122.442 119.914 0.174 0.000 2.521 346 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 346 V C 1.690 177.825 176.094 0.068 0.000 1.034 346 V CA 1.356 63.689 62.300 0.055 0.000 1.045 346 V CB 1.220 33.000 31.823 -0.073 0.000 0.974 346 V HN 0.590 nan 8.190 nan 0.000 0.480 347 T N 0.620 115.205 114.554 0.050 0.000 3.001 347 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 347 T C 0.435 175.283 174.700 0.246 0.000 1.040 347 T CA -0.155 62.060 62.100 0.193 0.000 0.985 347 T CB -0.175 68.806 68.868 0.189 0.000 1.011 347 T HN 0.604 nan 8.240 nan 0.000 0.509 348 N N 0.463 119.184 118.700 0.035 0.000 2.399 348 N HA 0.579 5.319 4.740 -0.000 0.000 0.280 348 N C -1.939 173.571 175.510 -0.000 0.000 1.008 348 N CA -0.728 52.415 53.050 0.154 0.000 0.894 348 N CB 1.488 40.016 38.487 0.069 0.000 1.273 348 N HN 0.121 nan 8.380 nan 0.000 0.486 349 F N 2.048 122.206 119.950 0.348 0.000 2.493 349 F HA 0.511 5.038 4.527 0.000 0.000 0.329 349 F C -0.061 175.902 175.800 0.271 0.000 1.126 349 F CA -0.819 57.351 58.000 0.284 0.000 0.937 349 F CB 1.372 40.526 39.000 0.255 0.000 1.146 349 F HN 0.201 nan 8.300 nan 0.000 0.442 350 I N 3.531 124.308 120.570 0.345 0.000 2.405 350 I HA 0.271 4.441 4.170 -0.000 0.000 0.280 350 I C -0.173 176.068 176.117 0.207 0.000 1.027 350 I CA -0.452 60.996 61.300 0.247 0.000 1.161 350 I CB 1.292 39.414 38.000 0.204 0.000 1.300 350 I HN 0.595 nan 8.210 nan 0.000 0.463 351 T N 2.533 117.194 114.554 0.179 0.000 2.943 351 T HA 0.853 5.203 4.350 -0.000 0.000 0.284 351 T C -0.269 174.509 174.700 0.130 0.000 1.015 351 T CA -0.826 61.325 62.100 0.086 0.000 1.042 351 T CB 2.291 71.163 68.868 0.006 0.000 1.055 351 T HN 0.572 nan 8.240 nan 0.000 0.500 352 A N 0.646 123.506 122.820 0.067 0.000 2.359 352 A HA 0.922 5.242 4.320 -0.000 0.000 0.303 352 A C 0.349 177.918 177.584 -0.024 0.000 1.066 352 A CA -0.251 51.840 52.037 0.089 0.000 0.730 352 A CB 0.713 19.901 19.000 0.313 0.000 1.211 352 A HN 2.249 nan 8.150 nan 0.000 0.439 353 G N 0.462 109.216 108.800 -0.077 0.000 2.770 353 G HA2 0.389 4.349 3.960 -0.000 0.000 0.686 353 G HA3 0.389 4.349 3.960 -0.000 0.000 0.686 353 G C 0.704 175.542 174.900 -0.103 0.000 1.180 353 G CA -0.020 45.026 45.100 -0.091 0.000 0.767 353 G HN 1.764 nan 8.290 nan 0.000 0.646 354 G N 0.004 108.737 108.800 -0.110 0.000 2.421 354 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 354 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 354 G C 1.320 176.172 174.900 -0.080 0.000 1.171 354 G CA 1.724 46.766 45.100 -0.097 0.000 0.775 354 G HN 0.854 nan 8.290 nan 0.000 0.543 355 E N -0.063 120.096 120.200 -0.069 0.000 2.072 355 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 355 E C 2.723 179.292 176.600 -0.053 0.000 0.985 355 E CA 1.340 57.705 56.400 -0.059 0.000 0.801 355 E CB -0.382 29.289 29.700 -0.047 0.000 0.750 355 E HN 0.305 nan 8.360 nan 0.000 0.452 356 T N 1.063 115.578 114.554 -0.066 0.000 2.720 356 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 356 T C 2.184 176.816 174.700 -0.113 0.000 1.037 356 T CA 1.451 63.479 62.100 -0.119 0.000 1.144 356 T CB -0.168 68.541 68.868 -0.266 0.000 0.864 356 T HN 0.058 nan 8.240 nan 0.000 0.444 357 S N 1.318 116.965 115.700 -0.089 0.000 2.368 357 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 357 S C 2.521 177.097 174.600 -0.040 0.000 1.029 357 S CA 0.995 59.161 58.200 -0.056 0.000 0.988 357 S CB -0.360 62.812 63.200 -0.047 0.000 0.838 357 S HN 0.421 nan 8.310 nan 0.000 0.462 358 S N 1.472 117.139 115.700 -0.056 0.000 2.356 358 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 358 S C 1.849 176.425 174.600 -0.040 0.000 1.032 358 S CA 0.956 59.120 58.200 -0.060 0.000 1.005 358 S CB -0.384 62.762 63.200 -0.091 0.000 0.867 358 S HN 0.340 nan 8.310 nan 0.000 0.449 359 I N 1.443 121.992 120.570 -0.035 0.000 2.226 359 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 359 I C 2.046 178.150 176.117 -0.022 0.000 1.100 359 I CA 1.095 62.384 61.300 -0.017 0.000 1.374 359 I CB -0.292 37.717 38.000 0.015 0.000 1.057 359 I HN 0.072 nan 8.210 nan 0.000 0.413 360 V N -0.584 119.315 119.914 -0.026 0.000 2.427 360 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 360 V C 2.400 178.438 176.094 -0.094 0.000 1.051 360 V CA 1.560 63.827 62.300 -0.054 0.000 1.048 360 V CB -0.377 31.420 31.823 -0.044 0.000 0.666 360 V HN 0.278 nan 8.190 nan 0.000 0.456 361 V N -0.325 119.580 119.914 -0.015 0.000 2.453 361 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 361 V C 2.367 178.432 176.094 -0.048 0.000 1.048 361 V CA 2.177 64.521 62.300 0.072 0.000 1.049 361 V CB -0.509 31.450 31.823 0.226 0.000 0.672 361 V HN 0.615 nan 8.190 nan 0.000 0.457 362 Q N 0.054 119.822 119.800 -0.052 0.000 2.050 362 Q HA -0.292 4.048 4.340 -0.000 0.000 0.202 362 Q C 2.278 178.202 176.000 -0.126 0.000 0.980 362 Q CA 2.253 58.012 55.803 -0.074 0.000 0.840 362 Q CB -0.076 28.631 28.738 -0.051 0.000 0.898 362 Q HN 0.644 nan 8.270 nan 0.000 0.424 363 E N 0.482 120.604 120.200 -0.129 0.000 2.051 363 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 363 E C 1.905 178.358 176.600 -0.245 0.000 0.991 363 E CA 1.394 57.709 56.400 -0.142 0.000 0.799 363 E CB -0.326 29.317 29.700 -0.095 0.000 0.748 363 E HN 0.482 nan 8.360 nan 0.000 0.449 364 L N -0.955 120.027 121.223 -0.403 0.000 2.362 364 L HA 0.054 4.394 4.340 -0.000 0.000 0.219 364 L C 1.558 177.921 176.870 -0.845 0.000 1.134 364 L CA 0.640 55.056 54.840 -0.708 0.000 0.807 364 L CB -0.610 40.791 42.059 -1.096 0.000 0.927 364 L HN 0.481 nan 8.230 nan 0.000 0.447 365 G N -0.325 108.139 108.800 -0.560 0.000 2.147 365 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 365 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 365 G C -0.043 174.721 174.900 -0.226 0.000 1.005 365 G CA -0.421 44.479 45.100 -0.334 0.000 0.713 365 G HN 0.127 nan 8.290 nan 0.000 0.515 366 F N 1.045 120.946 119.950 -0.081 0.000 2.427 366 F HA 0.507 5.034 4.527 0.000 0.000 0.352 366 F C 1.772 177.415 175.800 -0.261 0.000 1.100 366 F CA -0.208 57.668 58.000 -0.207 0.000 1.191 366 F CB 1.302 40.157 39.000 -0.243 0.000 1.128 366 F HN 0.124 nan 8.300 nan 0.000 0.533 367 T N -1.160 113.322 114.554 -0.120 0.000 3.001 367 T HA 0.558 4.908 4.350 -0.000 0.000 0.251 367 T C 0.595 175.147 174.700 -0.247 0.000 1.040 367 T CA 0.283 62.293 62.100 -0.150 0.000 0.985 367 T CB -0.046 68.750 68.868 -0.120 0.000 1.011 367 T HN 0.791 nan 8.240 nan 0.000 0.509 368 G N -0.009 108.480 108.800 -0.518 0.000 2.559 368 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 368 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 368 G C -2.176 172.205 174.900 -0.865 0.000 1.424 368 G CA -1.026 43.797 45.100 -0.462 0.000 0.786 368 G HN 0.164 nan 8.290 nan 0.000 0.485 369 F N -0.845 119.111 119.950 0.010 0.000 2.645 369 F HA 0.472 4.999 4.527 0.000 0.000 0.310 369 F C -0.101 175.721 175.800 0.037 0.000 1.102 369 F CA -1.008 57.014 58.000 0.037 0.000 0.952 369 F CB 2.125 41.185 39.000 0.101 0.000 1.326 369 F HN 0.318 nan 8.300 nan 0.000 0.456 370 H N 3.301 122.561 119.070 0.317 0.000 2.604 370 H HA 0.367 4.922 4.556 -0.000 0.000 0.306 370 H C -0.302 175.336 175.328 0.518 0.000 1.075 370 H CA -0.251 56.004 56.048 0.345 0.000 1.357 370 H CB 1.236 31.148 29.762 0.249 0.000 1.426 370 H HN 0.223 nan 8.280 nan 0.000 0.470 371 I N 3.218 124.030 120.570 0.404 0.000 2.416 371 I HA 0.137 4.307 4.170 -0.000 0.000 0.288 371 I C 1.224 177.317 176.117 -0.040 0.000 1.051 371 I CA 0.126 61.544 61.300 0.196 0.000 1.375 371 I CB 0.866 38.916 38.000 0.083 0.000 1.407 371 I HN 0.598 nan 8.210 nan 0.000 0.516 372 G N 5.344 113.883 108.800 -0.435 0.000 3.107 372 G HA2 0.342 4.302 3.960 -0.000 0.000 0.232 372 G HA3 0.342 4.302 3.960 -0.000 0.000 0.232 372 G C -0.477 174.192 174.900 -0.385 0.000 1.339 372 G CA -0.772 43.740 45.100 -0.980 0.000 1.033 372 G HN 0.532 nan 8.290 nan 0.000 0.567 373 K N 0.279 120.498 120.400 -0.302 0.000 2.524 373 K HA 0.006 4.326 4.320 -0.000 0.000 0.279 373 K C 0.419 177.011 176.600 -0.012 0.000 0.993 373 K CA 0.237 56.476 56.287 -0.079 0.000 1.030 373 K CB 0.358 32.857 32.500 -0.002 0.000 0.891 373 K HN 0.466 nan 8.250 nan 0.000 0.488 374 Q N 4.322 124.101 119.800 -0.034 0.000 2.296 374 Q HA 0.032 4.372 4.340 -0.000 0.000 0.263 374 Q C 0.488 176.498 176.000 0.018 0.000 1.026 374 Q CA -0.034 55.742 55.803 -0.046 0.000 0.912 374 Q CB 0.577 29.268 28.738 -0.079 0.000 1.198 374 Q HN 0.699 nan 8.270 nan 0.000 0.407 375 I N 2.649 123.215 120.570 -0.005 0.000 2.333 375 I HA 0.033 4.203 4.170 -0.000 0.000 0.246 375 I C 0.729 176.981 176.117 0.225 0.000 1.106 375 I CA 0.685 62.036 61.300 0.086 0.000 1.411 375 I CB 0.156 38.139 38.000 -0.028 0.000 1.082 375 I HN 0.633 nan 8.210 nan 0.000 0.420 376 A N -0.396 122.478 122.820 0.090 0.000 2.610 376 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 376 A C -2.716 174.795 177.584 -0.122 0.000 1.086 376 A CA -1.157 50.893 52.037 0.021 0.000 0.677 376 A CB 0.561 19.590 19.000 0.048 0.000 1.278 376 A HN -0.209 nan 8.150 nan 0.000 0.414 377 P HA 0.322 nan 4.420 nan 0.000 0.262 377 P C 0.983 177.982 177.300 -0.502 0.000 1.199 377 P CA 2.269 65.184 63.100 -0.308 0.000 0.763 377 P CB 0.544 32.071 31.700 -0.289 0.000 0.790 378 G N 2.142 110.655 108.800 -0.478 0.000 2.175 378 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.244 378 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.244 378 G C 0.020 174.780 174.900 -0.233 0.000 0.982 378 G CA -0.072 44.691 45.100 -0.562 0.000 0.641 378 G HN 0.494 nan 8.290 nan 0.000 0.527 379 V N 2.652 122.459 119.914 -0.179 0.000 2.313 379 V HA 0.423 4.543 4.120 -0.000 0.000 0.262 379 V C -1.789 174.223 176.094 -0.136 0.000 1.011 379 V CA -1.074 61.166 62.300 -0.101 0.000 0.858 379 V CB 1.462 33.237 31.823 -0.080 0.000 1.104 379 V HN 0.277 nan 8.190 nan 0.000 0.456 380 P HA 0.239 nan 4.420 nan 0.000 0.280 380 P C -0.601 176.608 177.300 -0.151 0.000 1.272 380 P CA -0.718 62.300 63.100 -0.137 0.000 0.819 380 P CB 1.460 33.093 31.700 -0.112 0.000 1.122 381 W N 0.560 121.802 121.300 -0.097 0.000 2.261 381 W HA 0.383 5.043 4.660 -0.000 0.000 0.323 381 W C 0.026 176.551 176.519 0.011 0.000 1.243 381 W CA -0.242 57.076 57.345 -0.044 0.000 1.210 381 W CB 0.671 30.061 29.460 -0.117 0.000 1.149 381 W HN 0.137 nan 8.180 nan 0.000 0.562 382 L N 2.915 124.482 121.223 0.574 0.000 2.301 382 L HA 0.649 4.989 4.340 -0.000 0.000 0.264 382 L C -0.437 176.830 176.870 0.661 0.000 1.016 382 L CA -1.402 53.741 54.840 0.505 0.000 0.821 382 L CB 2.010 44.127 42.059 0.097 0.000 1.346 382 L HN 0.223 nan 8.230 nan 0.000 0.429 383 K N 0.916 121.619 120.400 0.505 0.000 2.553 383 K HA 0.632 4.952 4.320 -0.000 0.000 0.250 383 K C -1.045 175.582 176.600 0.046 0.000 0.953 383 K CA -0.521 55.749 56.287 -0.028 0.000 0.800 383 K CB 2.042 34.211 32.500 -0.551 0.000 1.243 383 K HN 0.713 nan 8.250 nan 0.000 0.435 384 A N 2.398 125.071 122.820 -0.246 0.000 2.520 384 A HA 0.105 4.425 4.320 -0.000 0.000 0.235 384 A C 1.250 178.671 177.584 -0.272 0.000 1.065 384 A CA 0.249 51.980 52.037 -0.511 0.000 0.764 384 A CB 0.215 18.426 19.000 -1.314 0.000 1.002 384 A HN 0.726 nan 8.150 nan 0.000 0.502 385 V N -0.463 119.310 119.914 -0.234 0.000 2.788 385 V HA -0.056 4.064 4.120 -0.000 0.000 0.251 385 V C 1.605 177.657 176.094 -0.070 0.000 1.068 385 V CA 2.026 64.289 62.300 -0.062 0.000 1.090 385 V CB -1.107 30.659 31.823 -0.095 0.000 0.710 385 V HN 0.829 nan 8.190 nan 0.000 0.467 386 E N 1.742 121.878 120.200 -0.106 0.000 2.107 386 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 386 E C 0.801 177.385 176.600 -0.028 0.000 0.982 386 E CA 1.382 57.769 56.400 -0.021 0.000 0.809 386 E CB 0.001 29.753 29.700 0.086 0.000 0.756 386 E HN 1.007 nan 8.360 nan 0.000 0.459 387 E N -1.083 119.054 120.200 -0.104 0.000 2.416 387 E HA 0.189 4.539 4.350 -0.000 0.000 0.280 387 E C -1.378 175.092 176.600 -0.217 0.000 1.055 387 E CA -0.774 55.569 56.400 -0.095 0.000 0.825 387 E CB 0.430 30.140 29.700 0.017 0.000 1.312 387 E HN -0.294 nan 8.360 nan 0.000 0.452 388 D N 1.521 121.807 120.400 -0.190 0.000 2.738 388 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 388 D C -0.352 175.764 176.300 -0.307 0.000 1.070 388 D CA 0.567 54.386 54.000 -0.301 0.000 1.153 388 D CB -0.355 40.363 40.800 -0.137 0.000 1.141 388 D HN 0.257 nan 8.370 nan 0.000 0.459 389 I N 1.192 121.514 120.570 -0.413 0.000 2.465 389 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 389 I C 0.008 175.929 176.117 -0.327 0.000 1.014 389 I CA -0.797 60.407 61.300 -0.160 0.000 1.093 389 I CB 0.980 39.028 38.000 0.080 0.000 1.267 389 I HN -0.136 nan 8.210 nan 0.000 0.431 390 F N 6.349 126.399 119.950 0.166 0.000 2.450 390 F HA 0.683 5.210 4.527 0.000 0.000 0.332 390 F C -0.210 175.858 175.800 0.447 0.000 1.093 390 F CA -0.790 57.344 58.000 0.223 0.000 1.003 390 F CB 1.553 40.535 39.000 -0.030 0.000 1.151 390 F HN 0.107 nan 8.300 nan 0.000 0.474 391 L N 2.283 123.901 121.223 0.658 0.000 2.445 391 L HA 0.804 5.144 4.340 -0.000 0.000 0.262 391 L C -0.724 176.324 176.870 0.297 0.000 0.974 391 L CA -0.989 54.158 54.840 0.512 0.000 0.822 391 L CB 2.029 44.259 42.059 0.285 0.000 1.339 391 L HN 0.663 nan 8.230 nan 0.000 0.409 392 A N 3.262 126.113 122.820 0.052 0.000 2.409 392 A HA 0.802 5.122 4.320 -0.000 0.000 0.300 392 A C -0.919 176.642 177.584 -0.038 0.000 1.273 392 A CA -0.329 51.538 52.037 -0.284 0.000 0.774 392 A CB 0.290 18.819 19.000 -0.785 0.000 1.144 392 A HN 0.650 nan 8.150 nan 0.000 0.472 393 L N 2.822 124.014 121.223 -0.053 0.000 2.259 393 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 393 L C 0.463 177.307 176.870 -0.045 0.000 1.051 393 L CA -0.300 54.526 54.840 -0.024 0.000 0.824 393 L CB 0.968 43.002 42.059 -0.042 0.000 1.206 393 L HN 0.624 nan 8.230 nan 0.000 0.429 394 K N 2.998 123.356 120.400 -0.071 0.000 2.334 394 K HA 0.315 4.635 4.320 -0.000 0.000 0.265 394 K C -0.225 176.215 176.600 -0.267 0.000 1.039 394 K CA -0.236 55.909 56.287 -0.237 0.000 0.920 394 K CB 1.304 33.479 32.500 -0.542 0.000 1.160 394 K HN 0.519 nan 8.250 nan 0.000 0.451 395 S N 1.750 117.227 115.700 -0.371 0.000 2.580 395 S HA 0.059 4.529 4.470 -0.000 0.000 0.266 395 S C 1.566 175.850 174.600 -0.525 0.000 1.354 395 S CA 0.208 58.113 58.200 -0.493 0.000 1.008 395 S CB 0.954 63.716 63.200 -0.731 0.000 0.898 395 S HN 0.813 nan 8.310 nan 0.000 0.555 396 G N 1.817 110.389 108.800 -0.379 0.000 2.462 396 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 396 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 396 G C 1.161 175.892 174.900 -0.281 0.000 1.121 396 G CA 0.583 45.523 45.100 -0.267 0.000 0.758 396 G HN 0.625 nan 8.290 nan 0.000 0.559 397 N N -0.420 118.046 118.700 -0.390 0.000 2.405 397 N HA 0.108 4.848 4.740 -0.000 0.000 0.175 397 N C 0.249 175.733 175.510 -0.044 0.000 1.051 397 N CA -0.053 52.873 53.050 -0.207 0.000 0.899 397 N CB 0.043 38.457 38.487 -0.123 0.000 1.000 397 N HN 0.138 nan 8.380 nan 0.000 0.451 398 F N 1.003 120.824 119.950 -0.215 0.000 2.435 398 F HA 0.467 4.994 4.527 -0.000 0.000 0.316 398 F C 1.700 177.276 175.800 -0.373 0.000 1.220 398 F CA -0.831 57.008 58.000 -0.268 0.000 1.241 398 F CB -0.693 38.132 39.000 -0.291 0.000 1.234 398 F HN 0.093 nan 8.300 nan 0.000 0.569 399 G N 1.214 109.944 108.800 -0.117 0.000 2.728 399 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 399 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 399 G C -0.625 174.214 174.900 -0.102 0.000 1.337 399 G CA -0.902 44.085 45.100 -0.189 0.000 0.861 399 G HN 0.658 nan 8.290 nan 0.000 0.597 400 K N 0.640 121.014 120.400 -0.042 0.000 2.155 400 K HA 0.329 4.649 4.320 -0.000 0.000 0.237 400 K C 1.686 178.256 176.600 -0.050 0.000 1.040 400 K CA -0.056 56.196 56.287 -0.059 0.000 0.912 400 K CB 0.752 33.201 32.500 -0.086 0.000 1.137 400 K HN 0.682 nan 8.250 nan 0.000 0.498 401 E N 1.212 121.380 120.200 -0.054 0.000 2.097 401 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 401 E C 0.778 177.355 176.600 -0.040 0.000 1.000 401 E CA 1.663 58.036 56.400 -0.046 0.000 0.804 401 E CB -0.072 29.609 29.700 -0.032 0.000 0.740 401 E HN 0.558 nan 8.360 nan 0.000 0.454 402 D N 0.326 120.704 120.400 -0.036 0.000 2.413 402 D HA -0.088 4.552 4.640 -0.000 0.000 0.237 402 D C 1.155 177.434 176.300 -0.036 0.000 1.171 402 D CA -0.205 53.779 54.000 -0.026 0.000 0.839 402 D CB -0.410 40.376 40.800 -0.024 0.000 0.950 402 D HN 0.091 nan 8.370 nan 0.000 0.499 403 F N 1.218 121.035 119.950 -0.221 0.000 2.065 403 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 403 F C 1.457 177.100 175.800 -0.262 0.000 1.112 403 F CA 1.485 59.329 58.000 -0.260 0.000 1.212 403 F CB -0.367 38.364 39.000 -0.448 0.000 0.975 403 F HN -0.120 nan 8.300 nan 0.000 0.476 404 F N 1.392 121.050 119.950 -0.486 0.000 2.065 404 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 404 F C 2.719 178.045 175.800 -0.790 0.000 1.112 404 F CA 1.840 59.332 58.000 -0.847 0.000 1.212 404 F CB -1.541 36.757 39.000 -1.170 0.000 0.975 404 F HN 0.280 nan 8.300 nan 0.000 0.476 405 E N -1.149 118.807 120.200 -0.407 0.000 2.106 405 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 405 E C 2.154 178.631 176.600 -0.204 0.000 0.984 405 E CA 1.271 57.410 56.400 -0.435 0.000 0.806 405 E CB -1.186 28.170 29.700 -0.574 0.000 0.750 405 E HN 0.459 nan 8.360 nan 0.000 0.458 406 Y N 2.078 122.229 120.300 -0.249 0.000 2.145 406 Y HA -0.159 4.391 4.550 -0.000 0.000 0.286 406 Y C 2.591 178.433 175.900 -0.097 0.000 1.145 406 Y CA 1.449 59.465 58.100 -0.139 0.000 1.148 406 Y CB -0.764 37.621 38.460 -0.125 0.000 0.981 406 Y HN 0.141 nan 8.280 nan 0.000 0.507 407 A N 0.080 122.676 122.820 -0.373 0.000 1.958 407 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 407 A C 2.082 179.804 177.584 0.230 0.000 1.178 407 A CA 2.299 54.176 52.037 -0.267 0.000 0.642 407 A CB -0.680 17.962 19.000 -0.597 0.000 0.816 407 A HN 0.723 nan 8.150 nan 0.000 0.453 408 Q N -1.343 118.536 119.800 0.132 0.000 2.163 408 Q HA 0.031 4.371 4.340 -0.000 0.000 0.198 408 Q C 2.276 178.181 176.000 -0.157 0.000 0.954 408 Q CA 0.666 56.560 55.803 0.152 0.000 0.851 408 Q CB -0.373 28.462 28.738 0.161 0.000 0.928 408 Q HN 0.646 nan 8.270 nan 0.000 0.459 409 G N 2.505 111.274 108.800 -0.051 0.000 2.469 409 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 409 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 409 G C 1.600 176.425 174.900 -0.125 0.000 1.136 409 G CA 1.347 46.418 45.100 -0.048 0.000 0.759 409 G HN 0.426 nan 8.290 nan 0.000 0.562 410 M N -0.116 119.395 119.600 -0.148 0.000 2.296 410 M HA 0.190 4.670 4.480 -0.000 0.000 0.265 410 M C 1.949 178.265 176.300 0.026 0.000 1.064 410 M CA 1.273 56.533 55.300 -0.066 0.000 1.109 410 M CB -0.425 32.123 32.600 -0.087 0.000 1.396 410 M HN 0.280 nan 8.290 nan 0.000 0.430 411 F N 0.067 119.942 119.950 -0.127 0.000 2.647 411 F HA 0.633 5.160 4.527 0.000 0.000 0.300 411 F C -0.238 175.481 175.800 -0.134 0.000 1.106 411 F CA -1.085 56.805 58.000 -0.183 0.000 1.313 411 F CB -0.407 38.381 39.000 -0.353 0.000 1.007 411 F HN -0.044 nan 8.300 nan 0.000 0.536 412 L N 0.000 121.005 121.223 -0.363 0.000 2.949 412 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 412 L CA 0.000 54.650 54.840 -0.317 0.000 0.813 412 L CB 0.000 41.845 42.059 -0.356 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502