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 2a06_1_B DATA FIRST_RESID 12 DATA SEQUENCE EXXXXVPPHP QDLEFTRLPN GLVIASLENY APASRIGLFI KAGSRYENSN DATA SEQUENCE NLGTSHLLRL ASSLTTKGAS SFKITRGIEA VGGKLSVTST RENMAYTVEC DATA SEQUENCE LRDDVDILME FLLNVTTAPE FRRWEVAALQ PQLRIDKAVA LQNPQAHVIE DATA SEQUENCE NLHAAAYRNA LANSLYCPDY RIGKVTPVEL HDYVQNHFTS ARMALIGLGV DATA SEQUENCE SHPVLKQVAE QFLNIRGGLG LSGAKAKYHG GEIREQNGDS LVHAALVAES DATA SEQUENCE AAIGSAEANA FSVLQHVLGA GPHVKRGSNA TSSLYQAVAK GVHQPFDVSA DATA SEQUENCE FNASYSDSGL FGFYTISQAA SAGDVIKAAY NQVKTIAQGN LSNPDVQAAK DATA SEQUENCE NKLKAGYLMS VESSEGFLDE VGSQALAAGS YTPPSTVLQQ IDAVADADVI DATA SEQUENCE NAAKKFVSGR KSMAASGNLG HTPFIDEL 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.602 176.600 0.003 0.000 1.382 12 E CA 0.000 56.401 56.400 0.001 0.000 0.976 12 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 18 P HA 0.497 nan 4.420 nan 0.000 0.274 18 P C -2.332 174.990 177.300 0.037 0.000 1.256 18 P CA -0.724 62.392 63.100 0.027 0.000 0.795 18 P CB -0.052 31.668 31.700 0.034 0.000 1.038 19 P HA 0.228 nan 4.420 nan 0.000 0.000 19 P C -0.135 177.228 177.300 0.104 0.000 0.000 19 P CA 0.740 63.906 63.100 0.111 0.000 0.000 19 P CB -0.163 31.675 31.700 0.232 0.000 0.000 20 H N -1.900 nan 119.070 nan 0.000 0.000 20 H HA 0.310 4.866 4.556 -0.000 0.000 0.000 20 H C -2.798 172.592 175.328 0.104 0.000 0.000 20 H CA -1.666 54.522 56.048 0.234 0.000 0.000 20 H CB -0.045 29.858 29.762 0.235 0.000 0.000 20 H HN 0.180 nan 8.280 nan 0.000 0.000 21 P HA 0.063 nan 4.420 nan 0.000 0.276 21 P C -0.944 176.430 177.300 0.125 0.000 1.253 21 P CA 0.119 63.299 63.100 0.133 0.000 0.766 21 P CB 1.364 33.103 31.700 0.065 0.000 0.845 22 Q N 1.885 121.740 119.800 0.092 0.000 2.318 22 Q HA 0.239 4.579 4.340 -0.000 0.000 0.222 22 Q C 0.054 176.065 176.000 0.019 0.000 1.003 22 Q CA -0.414 55.422 55.803 0.054 0.000 0.936 22 Q CB 1.083 29.805 28.738 -0.027 0.000 1.204 22 Q HN 0.499 nan 8.270 nan 0.000 0.524 23 D N 0.957 121.374 120.400 0.029 0.000 2.277 23 D HA 0.241 4.881 4.640 -0.000 0.000 0.250 23 D C -0.453 175.861 176.300 0.024 0.000 1.032 23 D CA -0.483 53.542 54.000 0.042 0.000 0.947 23 D CB 1.476 42.310 40.800 0.056 0.000 1.159 23 D HN 0.305 nan 8.370 nan 0.000 0.460 24 L N 1.238 122.490 121.223 0.048 0.000 2.410 24 L HA 0.106 4.446 4.340 -0.000 0.000 0.273 24 L C -0.003 176.870 176.870 0.005 0.000 1.144 24 L CA -0.110 54.737 54.840 0.010 0.000 0.863 24 L CB 0.271 42.265 42.059 -0.108 0.000 1.140 24 L HN 0.226 nan 8.230 nan 0.000 0.463 25 E N 5.348 125.528 120.200 -0.033 0.000 2.200 25 E HA 0.255 4.605 4.350 -0.000 0.000 0.283 25 E C -1.375 175.173 176.600 -0.086 0.000 1.015 25 E CA -0.332 55.968 56.400 -0.167 0.000 0.819 25 E CB 1.743 31.210 29.700 -0.387 0.000 1.081 25 E HN 0.409 nan 8.360 nan 0.000 0.397 26 F N 1.565 121.400 119.950 -0.193 0.000 2.551 26 F HA 0.439 4.966 4.527 -0.000 0.000 0.316 26 F C -0.878 174.931 175.800 0.016 0.000 1.089 26 F CA -0.272 57.715 58.000 -0.023 0.000 0.915 26 F CB 2.178 41.183 39.000 0.009 0.000 1.186 26 F HN 0.199 nan 8.300 nan 0.000 0.456 27 T N 5.457 119.897 114.554 -0.190 0.000 3.172 27 T HA 0.342 4.692 4.350 -0.000 0.000 0.320 27 T C -1.271 173.312 174.700 -0.194 0.000 1.085 27 T CA -0.672 61.431 62.100 0.005 0.000 1.052 27 T CB 1.564 70.571 68.868 0.231 0.000 1.107 27 T HN 0.656 nan 8.240 nan 0.000 0.458 28 R N 3.655 124.156 120.500 0.002 0.000 2.265 28 R HA 0.574 4.914 4.340 -0.000 0.000 0.328 28 R C -0.337 175.971 176.300 0.013 0.000 0.969 28 R CA -0.616 55.483 56.100 -0.002 0.000 0.832 28 R CB 0.522 30.909 30.300 0.146 0.000 1.139 28 R HN 0.569 nan 8.270 nan 0.000 0.457 29 L N 5.867 127.079 121.223 -0.019 0.000 2.466 29 L HA 0.238 4.578 4.340 -0.000 0.000 0.257 29 L C -1.326 175.546 176.870 0.004 0.000 1.189 29 L CA -1.870 52.965 54.840 -0.009 0.000 0.813 29 L CB 0.645 42.688 42.059 -0.027 0.000 1.118 29 L HN 0.502 nan 8.230 nan 0.000 0.471 30 P HA -0.141 nan 4.420 nan 0.000 0.216 30 P C 0.767 178.068 177.300 0.003 0.000 1.150 30 P CA 1.113 64.217 63.100 0.006 0.000 0.837 30 P CB -0.029 31.673 31.700 0.002 0.000 0.786 31 N N -1.191 117.507 118.700 -0.004 0.000 2.550 31 N HA 0.002 4.742 4.740 -0.000 0.000 0.186 31 N C 1.313 176.822 175.510 -0.002 0.000 1.110 31 N CA 1.361 54.408 53.050 -0.005 0.000 0.912 31 N CB -0.967 37.513 38.487 -0.011 0.000 0.968 31 N HN 0.243 nan 8.380 nan 0.000 0.448 32 G N -0.487 108.314 108.800 0.001 0.000 2.238 32 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 32 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 32 G C -0.227 174.671 174.900 -0.003 0.000 0.996 32 G CA 0.045 45.149 45.100 0.007 0.000 0.632 32 G HN 0.465 nan 8.290 nan 0.000 0.503 33 L N 2.209 123.421 121.223 -0.019 0.000 2.455 33 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 33 L C 0.481 177.305 176.870 -0.076 0.000 1.174 33 L CA -0.497 54.321 54.840 -0.037 0.000 0.869 33 L CB 1.021 43.058 42.059 -0.037 0.000 1.130 33 L HN 0.041 nan 8.230 nan 0.000 0.474 34 V N 6.660 126.507 119.914 -0.111 0.000 2.481 34 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 34 V C 0.116 176.041 176.094 -0.281 0.000 1.042 34 V CA -0.351 61.799 62.300 -0.251 0.000 0.928 34 V CB 1.627 33.294 31.823 -0.260 0.000 0.986 34 V HN 0.571 nan 8.190 nan 0.000 0.462 35 I N 3.637 123.984 120.570 -0.372 0.000 2.466 35 I HA 0.766 4.936 4.170 -0.000 0.000 0.289 35 I C -0.092 175.874 176.117 -0.252 0.000 1.026 35 I CA -0.391 60.743 61.300 -0.277 0.000 1.078 35 I CB 1.946 39.772 38.000 -0.291 0.000 1.249 35 I HN 0.693 nan 8.210 nan 0.000 0.429 36 A N 4.464 127.185 122.820 -0.165 0.000 2.398 36 A HA 0.898 5.218 4.320 -0.000 0.000 0.301 36 A C -0.707 176.897 177.584 0.034 0.000 1.041 36 A CA -0.483 51.524 52.037 -0.051 0.000 0.711 36 A CB 1.619 20.549 19.000 -0.116 0.000 1.240 36 A HN 0.661 nan 8.150 nan 0.000 0.420 37 S N 1.101 116.883 115.700 0.136 0.000 2.546 37 S HA 0.754 5.224 4.470 -0.000 0.000 0.274 37 S C -1.335 173.312 174.600 0.079 0.000 1.121 37 S CA -0.651 57.615 58.200 0.110 0.000 0.887 37 S CB 1.511 64.793 63.200 0.137 0.000 1.094 37 S HN 1.733 nan 8.310 nan 0.000 0.474 38 L N 1.491 122.753 121.223 0.064 0.000 2.376 38 L HA 0.767 5.107 4.340 -0.000 0.000 0.275 38 L C -0.747 176.066 176.870 -0.095 0.000 0.987 38 L CA -0.407 54.434 54.840 0.002 0.000 0.828 38 L CB 1.767 43.853 42.059 0.045 0.000 1.249 38 L HN 0.928 nan 8.230 nan 0.000 0.409 39 E N 2.561 122.647 120.200 -0.190 0.000 2.089 39 E HA 0.270 4.620 4.350 -0.000 0.000 0.284 39 E C -0.061 176.246 176.600 -0.489 0.000 1.023 39 E CA -0.061 56.121 56.400 -0.364 0.000 0.819 39 E CB 0.641 30.038 29.700 -0.505 0.000 1.076 39 E HN 0.655 nan 8.360 nan 0.000 0.396 40 N N 3.401 121.876 118.700 -0.375 0.000 2.205 40 N HA -0.026 4.714 4.740 -0.000 0.000 0.201 40 N C -0.510 174.910 175.510 -0.150 0.000 1.128 40 N CA -0.223 52.671 53.050 -0.260 0.000 0.867 40 N CB -0.271 38.125 38.487 -0.152 0.000 0.996 40 N HN 0.479 nan 8.380 nan 0.000 0.503 41 Y N -1.140 119.118 120.300 -0.070 0.000 4.409 41 Y HA -0.266 4.284 4.550 -0.000 0.000 0.228 41 Y C 0.680 176.558 175.900 -0.038 0.000 1.108 41 Y CA -0.151 57.911 58.100 -0.062 0.000 1.955 41 Y CB -2.399 36.015 38.460 -0.077 0.000 1.615 41 Y HN 0.404 nan 8.280 nan 0.000 0.665 42 A N 0.034 122.885 122.820 0.051 0.000 2.351 42 A HA 0.505 4.824 4.320 -0.000 0.000 0.257 42 A C -0.821 176.785 177.584 0.037 0.000 1.087 42 A CA -0.701 51.357 52.037 0.035 0.000 0.798 42 A CB 0.336 19.337 19.000 0.003 0.000 1.033 42 A HN 0.069 nan 8.150 nan 0.000 0.488 43 P HA 0.057 nan 4.420 nan 0.000 0.223 43 P C 0.205 177.517 177.300 0.021 0.000 1.151 43 P CA 1.663 64.779 63.100 0.027 0.000 0.787 43 P CB 0.208 31.921 31.700 0.022 0.000 0.788 44 A N -1.314 121.516 122.820 0.018 0.000 2.356 44 A HA 0.678 4.998 4.320 -0.000 0.000 0.323 44 A C -0.114 177.480 177.584 0.015 0.000 1.119 44 A CA -0.318 51.728 52.037 0.017 0.000 0.790 44 A CB 1.182 20.191 19.000 0.016 0.000 1.273 44 A HN -0.098 nan 8.150 nan 0.000 0.452 45 S N -0.027 115.683 115.700 0.018 0.000 2.664 45 S HA 0.756 5.226 4.470 -0.000 0.000 0.304 45 S C -0.453 174.166 174.600 0.031 0.000 1.099 45 S CA -0.719 57.493 58.200 0.020 0.000 1.003 45 S CB 1.313 64.523 63.200 0.017 0.000 1.092 45 S HN 0.611 nan 8.310 nan 0.000 0.525 46 R N 1.168 121.693 120.500 0.042 0.000 2.515 46 R HA 0.492 4.832 4.340 -0.000 0.000 0.291 46 R C -1.579 174.763 176.300 0.069 0.000 1.046 46 R CA -0.548 55.586 56.100 0.057 0.000 0.914 46 R CB 1.248 31.591 30.300 0.072 0.000 1.191 46 R HN 0.398 nan 8.270 nan 0.000 0.435 47 I N 1.502 122.112 120.570 0.067 0.000 2.509 47 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 47 I C 0.452 176.626 176.117 0.096 0.000 1.020 47 I CA -0.823 60.523 61.300 0.076 0.000 1.088 47 I CB 1.807 39.837 38.000 0.050 0.000 1.267 47 I HN 0.716 nan 8.210 nan 0.000 0.430 48 G N 5.191 114.084 108.800 0.155 0.000 2.617 48 G HA2 0.598 4.558 3.960 -0.000 0.000 0.306 48 G HA3 0.598 4.558 3.960 -0.000 0.000 0.306 48 G C -1.856 173.169 174.900 0.208 0.000 1.360 48 G CA -0.428 44.765 45.100 0.155 0.000 0.983 48 G HN 0.384 nan 8.290 nan 0.000 0.496 49 L N 2.344 123.612 121.223 0.076 0.000 2.276 49 L HA 0.724 5.064 4.340 -0.000 0.000 0.286 49 L C -1.383 175.506 176.870 0.032 0.000 1.024 49 L CA -1.139 53.761 54.840 0.100 0.000 0.826 49 L CB 0.329 42.398 42.059 0.018 0.000 1.211 49 L HN 0.313 nan 8.230 nan 0.000 0.422 50 F N 5.964 125.907 119.950 -0.013 0.000 2.408 50 F HA 0.612 5.139 4.527 -0.000 0.000 0.344 50 F C 0.211 175.970 175.800 -0.069 0.000 1.112 50 F CA -0.393 57.596 58.000 -0.018 0.000 1.096 50 F CB 1.097 40.090 39.000 -0.011 0.000 1.129 50 F HN 0.259 nan 8.300 nan 0.000 0.486 51 I N 2.473 123.057 120.570 0.023 0.000 2.686 51 I HA 0.297 4.467 4.170 -0.000 0.000 0.295 51 I C -0.547 175.555 176.117 -0.025 0.000 1.114 51 I CA -1.119 60.117 61.300 -0.107 0.000 1.038 51 I CB 2.307 40.029 38.000 -0.463 0.000 1.238 51 I HN 0.393 nan 8.210 nan 0.000 0.420 52 K N 4.468 124.857 120.400 -0.018 0.000 2.121 52 K HA 0.419 4.739 4.320 -0.000 0.000 0.235 52 K C 0.354 176.920 176.600 -0.057 0.000 1.200 52 K CA -0.003 56.311 56.287 0.045 0.000 1.115 52 K CB 0.364 32.854 32.500 -0.017 0.000 1.474 52 K HN 0.753 nan 8.250 nan 0.000 0.295 53 A N 1.736 124.626 122.820 0.118 0.000 2.630 53 A HA 0.234 4.554 4.320 -0.000 0.000 0.287 53 A C 0.784 178.596 177.584 0.380 0.000 1.040 53 A CA -0.396 51.758 52.037 0.195 0.000 0.971 53 A CB 0.508 19.690 19.000 0.304 0.000 1.241 53 A HN 0.602 nan 8.150 nan 0.000 0.558 54 G N 0.102 109.092 108.800 0.317 0.000 2.750 54 G HA2 0.291 4.251 3.960 -0.000 0.000 0.250 54 G HA3 0.291 4.251 3.960 -0.000 0.000 0.250 54 G C 1.234 176.190 174.900 0.093 0.000 1.230 54 G CA 0.468 45.646 45.100 0.131 0.000 0.883 54 G HN 0.899 nan 8.290 nan 0.000 0.573 55 S N -0.624 115.045 115.700 -0.053 0.000 2.465 55 S HA -0.202 4.268 4.470 -0.000 0.000 0.241 55 S C 2.039 176.552 174.600 -0.145 0.000 1.000 55 S CA 1.331 59.479 58.200 -0.086 0.000 0.964 55 S CB -0.307 62.799 63.200 -0.156 0.000 0.763 55 S HN 0.821 nan 8.310 nan 0.000 0.512 56 R N -0.302 120.007 120.500 -0.318 0.000 2.237 56 R HA -0.030 4.310 4.340 -0.000 0.000 0.219 56 R C 0.947 176.966 176.300 -0.467 0.000 1.080 56 R CA 1.175 56.999 56.100 -0.460 0.000 0.995 56 R CB -0.738 29.164 30.300 -0.664 0.000 0.875 56 R HN 0.496 nan 8.270 nan 0.000 0.462 57 Y N 1.477 121.750 120.300 -0.045 0.000 2.490 57 Y HA 0.249 4.799 4.550 -0.000 0.000 0.281 57 Y C 0.210 176.147 175.900 0.062 0.000 1.174 57 Y CA -0.469 57.588 58.100 -0.072 0.000 1.295 57 Y CB 0.064 38.274 38.460 -0.418 0.000 1.062 57 Y HN 0.134 nan 8.280 nan 0.000 0.522 58 E N 1.026 121.352 120.200 0.210 0.000 2.349 58 E HA 0.202 4.552 4.350 -0.000 0.000 0.262 58 E C -0.323 176.355 176.600 0.130 0.000 1.088 58 E CA -0.501 56.036 56.400 0.229 0.000 0.899 58 E CB 0.617 30.378 29.700 0.102 0.000 1.044 58 E HN 0.348 nan 8.360 nan 0.000 0.420 59 N N -1.643 117.133 118.700 0.127 0.000 2.545 59 N HA 0.093 4.833 4.740 -0.000 0.000 0.289 59 N C 0.289 175.848 175.510 0.080 0.000 1.279 59 N CA -0.615 52.489 53.050 0.091 0.000 0.824 59 N CB 0.994 39.539 38.487 0.097 0.000 1.395 59 N HN 0.308 nan 8.380 nan 0.000 0.526 60 S N -0.880 114.863 115.700 0.071 0.000 2.493 60 S HA -0.139 4.331 4.470 -0.000 0.000 0.243 60 S C 0.597 175.258 174.600 0.101 0.000 0.991 60 S CA 0.634 58.884 58.200 0.084 0.000 0.957 60 S CB -0.733 62.506 63.200 0.064 0.000 0.756 60 S HN 0.574 nan 8.310 nan 0.000 0.521 61 N N 2.698 121.450 118.700 0.087 0.000 2.405 61 N HA 0.025 4.765 4.740 -0.000 0.000 0.175 61 N C 0.366 175.921 175.510 0.075 0.000 1.051 61 N CA 0.889 53.990 53.050 0.085 0.000 0.899 61 N CB -0.192 38.337 38.487 0.069 0.000 1.000 61 N HN 0.813 nan 8.380 nan 0.000 0.451 62 N N 0.570 119.311 118.700 0.068 0.000 2.497 62 N HA 0.094 4.834 4.740 -0.000 0.000 0.284 62 N C -0.427 175.077 175.510 -0.011 0.000 1.459 62 N CA -0.173 52.896 53.050 0.031 0.000 0.899 62 N CB -0.484 38.045 38.487 0.070 0.000 1.316 62 N HN 0.015 nan 8.380 nan 0.000 0.500 63 L N 0.269 121.489 121.223 -0.006 0.000 2.514 63 L HA 0.239 4.579 4.340 -0.000 0.000 0.280 63 L C 1.524 178.324 176.870 -0.117 0.000 1.223 63 L CA 1.257 56.074 54.840 -0.040 0.000 0.864 63 L CB 0.239 42.299 42.059 0.002 0.000 1.118 63 L HN 0.577 nan 8.230 nan 0.000 0.494 64 G N 1.493 110.224 108.800 -0.115 0.000 2.199 64 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 64 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 64 G C 0.870 175.660 174.900 -0.182 0.000 0.982 64 G CA 0.546 45.575 45.100 -0.118 0.000 0.632 64 G HN 0.636 nan 8.290 nan 0.000 0.529 65 T N 1.425 115.827 114.554 -0.255 0.000 2.746 65 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 65 T C 2.747 177.145 174.700 -0.503 0.000 1.039 65 T CA 2.727 64.603 62.100 -0.373 0.000 1.142 65 T CB -0.391 68.240 68.868 -0.394 0.000 0.866 65 T HN 1.219 nan 8.240 nan 0.000 0.444 66 S N 0.568 115.904 115.700 -0.607 0.000 2.453 66 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 66 S C 1.811 176.304 174.600 -0.180 0.000 1.005 66 S CA 0.954 58.861 58.200 -0.488 0.000 0.949 66 S CB -0.703 62.269 63.200 -0.380 0.000 0.774 66 S HN 0.764 nan 8.310 nan 0.000 0.510 67 H N 0.369 119.277 119.070 -0.269 0.000 2.307 67 H HA 0.037 4.593 4.556 -0.000 0.000 0.303 67 H C 2.191 177.419 175.328 -0.167 0.000 1.073 67 H CA 1.192 57.112 56.048 -0.214 0.000 1.338 67 H CB -0.168 29.481 29.762 -0.189 0.000 1.389 67 H HN 0.373 nan 8.280 nan 0.000 0.503 68 L N 0.960 122.041 121.223 -0.237 0.000 2.042 68 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 68 L C 2.410 179.181 176.870 -0.166 0.000 1.076 68 L CA 1.217 55.890 54.840 -0.278 0.000 0.749 68 L CB -0.934 40.957 42.059 -0.280 0.000 0.893 68 L HN 0.357 nan 8.230 nan 0.000 0.432 69 L N -0.001 121.123 121.223 -0.164 0.000 2.013 69 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 69 L C 2.765 179.673 176.870 0.063 0.000 1.073 69 L CA 2.148 56.959 54.840 -0.049 0.000 0.753 69 L CB -0.775 41.252 42.059 -0.052 0.000 0.890 69 L HN 0.390 nan 8.230 nan 0.000 0.432 70 R N -0.914 119.594 120.500 0.013 0.000 2.127 70 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 70 R C 1.995 178.288 176.300 -0.012 0.000 1.134 70 R CA 1.517 57.603 56.100 -0.023 0.000 0.975 70 R CB -0.205 30.077 30.300 -0.031 0.000 0.865 70 R HN 0.484 nan 8.270 nan 0.000 0.447 71 L N -0.581 120.639 121.223 -0.007 0.000 2.529 71 L HA 0.193 4.533 4.340 -0.000 0.000 0.223 71 L C 1.656 178.525 176.870 -0.001 0.000 1.113 71 L CA 0.257 55.086 54.840 -0.018 0.000 0.861 71 L CB 0.208 42.221 42.059 -0.077 0.000 1.012 71 L HN 0.165 nan 8.230 nan 0.000 0.461 72 A N -0.278 122.565 122.820 0.037 0.000 2.379 72 A HA 0.054 4.374 4.320 -0.000 0.000 0.236 72 A C 2.153 179.808 177.584 0.119 0.000 1.272 72 A CA 0.572 52.659 52.037 0.084 0.000 0.886 72 A CB -0.266 18.823 19.000 0.149 0.000 0.962 72 A HN 0.377 nan 8.150 nan 0.000 0.504 73 S N 0.429 116.198 115.700 0.116 0.000 2.442 73 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 73 S C 1.620 176.255 174.600 0.059 0.000 1.007 73 S CA 1.600 59.889 58.200 0.147 0.000 0.965 73 S CB -0.592 62.703 63.200 0.158 0.000 0.773 73 S HN 0.940 nan 8.310 nan 0.000 0.504 74 S N 0.565 116.275 115.700 0.017 0.000 2.572 74 S HA 0.433 4.903 4.470 -0.000 0.000 0.228 74 S C 0.407 174.997 174.600 -0.016 0.000 0.963 74 S CA -0.795 57.390 58.200 -0.025 0.000 0.939 74 S CB -0.491 62.680 63.200 -0.049 0.000 0.804 74 S HN 0.451 nan 8.310 nan 0.000 0.480 75 L N 1.841 123.061 121.223 -0.004 0.000 2.466 75 L HA 0.282 4.622 4.340 -0.000 0.000 0.257 75 L C 0.671 177.515 176.870 -0.043 0.000 1.189 75 L CA -0.511 54.320 54.840 -0.014 0.000 0.813 75 L CB 0.164 42.219 42.059 -0.006 0.000 1.118 75 L HN 0.128 nan 8.230 nan 0.000 0.471 76 T N 0.903 115.434 114.554 -0.038 0.000 2.934 76 T HA 0.164 4.514 4.350 -0.000 0.000 0.306 76 T C 0.343 174.985 174.700 -0.096 0.000 1.042 76 T CA -0.081 62.000 62.100 -0.032 0.000 1.145 76 T CB 0.353 69.219 68.868 -0.002 0.000 0.982 76 T HN 0.794 nan 8.240 nan 0.000 0.544 77 T N 0.223 114.741 114.554 -0.060 0.000 2.910 77 T HA 0.475 4.825 4.350 -0.000 0.000 0.287 77 T C 1.068 175.740 174.700 -0.046 0.000 1.050 77 T CA -1.166 60.879 62.100 -0.092 0.000 1.011 77 T CB 1.608 70.437 68.868 -0.065 0.000 1.195 77 T HN 0.410 nan 8.240 nan 0.000 0.540 78 K N 0.003 120.372 120.400 -0.052 0.000 2.148 78 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 78 K C 2.034 178.629 176.600 -0.008 0.000 1.050 78 K CA 1.274 57.547 56.287 -0.025 0.000 0.942 78 K CB -0.351 32.133 32.500 -0.027 0.000 0.724 78 K HN 0.770 nan 8.250 nan 0.000 0.446 79 G N -0.179 108.615 108.800 -0.011 0.000 3.020 79 G HA2 0.339 4.299 3.960 -0.000 0.000 0.217 79 G HA3 0.339 4.299 3.960 -0.000 0.000 0.217 79 G C -0.204 174.712 174.900 0.027 0.000 1.144 79 G CA 0.208 45.303 45.100 -0.007 0.000 0.760 79 G HN 0.262 nan 8.290 nan 0.000 0.548 80 A N 0.252 123.109 122.820 0.061 0.000 2.513 80 A HA 0.643 4.963 4.320 -0.000 0.000 0.296 80 A C -0.032 177.616 177.584 0.107 0.000 1.052 80 A CA -0.078 52.037 52.037 0.131 0.000 0.714 80 A CB 0.750 19.913 19.000 0.271 0.000 1.279 80 A HN 0.774 nan 8.150 nan 0.000 0.397 81 S N 1.280 117.056 115.700 0.126 0.000 2.593 81 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 81 S C 1.426 176.093 174.600 0.112 0.000 1.334 81 S CA 0.427 58.699 58.200 0.120 0.000 1.015 81 S CB 1.355 64.649 63.200 0.157 0.000 0.912 81 S HN 1.759 nan 8.310 nan 0.000 0.541 82 S N 1.159 116.917 115.700 0.096 0.000 2.365 82 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 82 S C 1.484 176.127 174.600 0.072 0.000 1.039 82 S CA 1.706 59.943 58.200 0.062 0.000 1.033 82 S CB -0.997 62.248 63.200 0.076 0.000 0.887 82 S HN 0.754 nan 8.310 nan 0.000 0.447 83 F N 2.141 122.088 119.950 -0.005 0.000 2.126 83 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 83 F C 2.330 178.114 175.800 -0.027 0.000 1.096 83 F CA 2.179 60.173 58.000 -0.011 0.000 1.255 83 F CB -0.403 38.604 39.000 0.011 0.000 0.997 83 F HN 0.201 nan 8.300 nan 0.000 0.479 84 K N 0.482 120.978 120.400 0.161 0.000 2.155 84 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 84 K C 2.101 178.602 176.600 -0.164 0.000 1.052 84 K CA 1.516 57.848 56.287 0.075 0.000 0.948 84 K CB -0.238 32.412 32.500 0.251 0.000 0.728 84 K HN 0.400 nan 8.250 nan 0.000 0.448 85 I N 0.629 121.041 120.570 -0.264 0.000 2.142 85 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 85 I C 2.144 177.868 176.117 -0.655 0.000 1.078 85 I CA 1.442 62.316 61.300 -0.710 0.000 1.343 85 I CB -0.393 37.392 38.000 -0.360 0.000 1.046 85 I HN 0.200 nan 8.210 nan 0.000 0.405 86 T N 0.446 114.763 114.554 -0.396 0.000 2.701 86 T HA -0.112 4.237 4.350 -0.000 0.000 0.263 86 T C 2.070 176.557 174.700 -0.355 0.000 1.040 86 T CA 1.053 62.952 62.100 -0.334 0.000 1.147 86 T CB -0.124 68.589 68.868 -0.260 0.000 0.865 86 T HN 0.165 nan 8.240 nan 0.000 0.426 87 R N 0.791 121.023 120.500 -0.446 0.000 2.075 87 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 87 R C 2.796 178.969 176.300 -0.211 0.000 1.126 87 R CA 1.332 57.207 56.100 -0.375 0.000 0.963 87 R CB -1.337 28.632 30.300 -0.552 0.000 0.858 87 R HN 0.499 nan 8.270 nan 0.000 0.435 88 G N 0.966 109.655 108.800 -0.186 0.000 2.402 88 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 88 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 88 G C 1.611 176.516 174.900 0.008 0.000 1.162 88 G CA 0.329 45.446 45.100 0.028 0.000 0.777 88 G HN 0.217 nan 8.290 nan 0.000 0.539 89 I N 0.308 120.739 120.570 -0.233 0.000 2.353 89 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 89 I C 2.681 178.753 176.117 -0.075 0.000 1.119 89 I CA 0.931 62.154 61.300 -0.127 0.000 1.417 89 I CB -0.189 37.666 38.000 -0.242 0.000 1.078 89 I HN 0.233 nan 8.210 nan 0.000 0.421 90 E N 1.040 121.172 120.200 -0.113 0.000 2.150 90 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 90 E C 2.348 178.919 176.600 -0.047 0.000 0.985 90 E CA 1.065 57.417 56.400 -0.080 0.000 0.814 90 E CB -0.109 29.529 29.700 -0.103 0.000 0.752 90 E HN 0.481 nan 8.360 nan 0.000 0.466 91 A N 1.282 124.078 122.820 -0.040 0.000 1.940 91 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 91 A C 2.335 179.922 177.584 0.005 0.000 1.176 91 A CA 1.661 53.691 52.037 -0.012 0.000 0.631 91 A CB -0.525 18.478 19.000 0.005 0.000 0.814 91 A HN 0.237 nan 8.150 nan 0.000 0.446 92 V N -3.787 116.137 119.914 0.016 0.000 3.514 92 V HA 0.541 4.661 4.120 -0.000 0.000 0.301 92 V C 1.197 177.298 176.094 0.012 0.000 1.346 92 V CA 0.388 62.702 62.300 0.022 0.000 1.156 92 V CB -0.993 30.856 31.823 0.042 0.000 1.029 92 V HN 1.447 nan 8.190 nan 0.000 0.428 93 G N -0.015 108.785 108.800 -0.001 0.000 2.225 93 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.267 93 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.267 93 G C 0.539 175.437 174.900 -0.004 0.000 1.024 93 G CA 0.409 45.505 45.100 -0.007 0.000 0.784 93 G HN 1.309 nan 8.290 nan 0.000 0.507 94 G N -1.032 107.767 108.800 -0.003 0.000 2.532 94 G HA2 0.685 4.645 3.960 -0.000 0.000 0.291 94 G HA3 0.685 4.645 3.960 -0.000 0.000 0.291 94 G C -0.157 174.736 174.900 -0.013 0.000 1.349 94 G CA 0.008 45.110 45.100 0.003 0.000 1.038 94 G HN 0.703 nan 8.290 nan 0.000 0.518 95 K N -1.440 118.957 120.400 -0.005 0.000 2.502 95 K HA 0.585 4.905 4.320 -0.000 0.000 0.257 95 K C -2.203 174.391 176.600 -0.010 0.000 0.938 95 K CA -0.806 55.471 56.287 -0.017 0.000 0.819 95 K CB 2.258 34.751 32.500 -0.011 0.000 1.333 95 K HN 0.380 nan 8.250 nan 0.000 0.434 96 L N 2.505 123.713 121.223 -0.024 0.000 2.406 96 L HA 0.561 4.901 4.340 -0.000 0.000 0.272 96 L C -1.516 175.339 176.870 -0.026 0.000 0.980 96 L CA 0.142 54.976 54.840 -0.010 0.000 0.831 96 L CB 1.821 43.870 42.059 -0.015 0.000 1.253 96 L HN 0.765 nan 8.230 nan 0.000 0.406 97 S N 3.715 119.393 115.700 -0.037 0.000 2.595 97 S HA 0.931 5.401 4.470 -0.000 0.000 0.281 97 S C -1.308 173.197 174.600 -0.159 0.000 1.117 97 S CA -0.676 57.477 58.200 -0.078 0.000 0.873 97 S CB 2.000 65.160 63.200 -0.067 0.000 1.108 97 S HN 0.497 nan 8.310 nan 0.000 0.477 98 V N 1.911 121.693 119.914 -0.220 0.000 2.483 98 V HA 0.622 4.742 4.120 -0.000 0.000 0.297 98 V C -0.367 175.551 176.094 -0.293 0.000 1.027 98 V CA -0.416 61.639 62.300 -0.407 0.000 0.855 98 V CB 1.548 33.050 31.823 -0.536 0.000 0.995 98 V HN 1.044 nan 8.190 nan 0.000 0.424 99 T N 3.220 117.591 114.554 -0.306 0.000 2.829 99 T HA 0.650 5.000 4.350 -0.000 0.000 0.280 99 T C -0.280 174.299 174.700 -0.202 0.000 0.999 99 T CA -0.451 61.524 62.100 -0.208 0.000 0.983 99 T CB 1.670 70.440 68.868 -0.163 0.000 0.968 99 T HN 0.645 nan 8.240 nan 0.000 0.446 100 S N 1.504 117.109 115.700 -0.158 0.000 2.548 100 S HA 0.835 5.305 4.470 -0.000 0.000 0.286 100 S C 0.045 174.582 174.600 -0.105 0.000 1.098 100 S CA -0.940 57.181 58.200 -0.132 0.000 0.930 100 S CB 1.987 65.092 63.200 -0.159 0.000 1.070 100 S HN 0.924 nan 8.310 nan 0.000 0.480 101 T N -0.754 113.764 114.554 -0.060 0.000 2.724 101 T HA 0.509 4.859 4.350 -0.000 0.000 0.274 101 T C 0.710 175.363 174.700 -0.078 0.000 0.984 101 T CA -0.984 61.096 62.100 -0.033 0.000 1.024 101 T CB 0.960 69.863 68.868 0.059 0.000 1.320 101 T HN 0.406 nan 8.240 nan 0.000 0.555 102 R N 0.209 120.645 120.500 -0.107 0.000 2.235 102 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 102 R C 1.829 177.996 176.300 -0.221 0.000 1.059 102 R CA 1.172 57.129 56.100 -0.238 0.000 0.997 102 R CB 0.003 30.043 30.300 -0.434 0.000 0.884 102 R HN 0.698 nan 8.270 nan 0.000 0.462 103 E N -0.497 119.652 120.200 -0.085 0.000 2.290 103 E HA 0.080 4.430 4.350 -0.000 0.000 0.199 103 E C -0.003 176.684 176.600 0.145 0.000 0.912 103 E CA 0.254 56.648 56.400 -0.010 0.000 0.924 103 E CB 0.468 30.207 29.700 0.064 0.000 0.901 103 E HN 0.334 nan 8.360 nan 0.000 0.487 104 N N 0.139 118.909 118.700 0.116 0.000 2.381 104 N HA 0.497 5.237 4.740 -0.000 0.000 0.294 104 N C -1.034 174.506 175.510 0.051 0.000 1.216 104 N CA -0.483 52.642 53.050 0.125 0.000 0.803 104 N CB 2.117 40.706 38.487 0.170 0.000 1.372 104 N HN -0.169 nan 8.380 nan 0.000 0.500 105 M N 1.305 120.914 119.600 0.016 0.000 2.395 105 M HA 0.602 5.082 4.480 -0.000 0.000 0.307 105 M C -1.461 174.734 176.300 -0.176 0.000 1.091 105 M CA -0.637 54.621 55.300 -0.070 0.000 0.919 105 M CB 2.265 34.882 32.600 0.028 0.000 1.662 105 M HN 0.644 nan 8.290 nan 0.000 0.440 106 A N 3.041 125.650 122.820 -0.352 0.000 2.357 106 A HA 0.690 5.010 4.320 -0.000 0.000 0.295 106 A C -1.924 175.381 177.584 -0.466 0.000 1.121 106 A CA -0.453 51.224 52.037 -0.600 0.000 0.742 106 A CB 0.592 18.942 19.000 -1.083 0.000 1.181 106 A HN 0.736 nan 8.150 nan 0.000 0.454 107 Y N 1.864 121.975 120.300 -0.316 0.000 2.383 107 Y HA 0.495 5.045 4.550 -0.000 0.000 0.344 107 Y C 1.151 176.954 175.900 -0.163 0.000 0.986 107 Y CA 0.198 58.200 58.100 -0.163 0.000 1.175 107 Y CB 1.637 40.052 38.460 -0.076 0.000 1.152 107 Y HN 0.675 nan 8.280 nan 0.000 0.511 108 T N 0.922 115.455 114.554 -0.036 0.000 2.876 108 T HA 0.794 5.144 4.350 -0.000 0.000 0.289 108 T C -0.767 173.946 174.700 0.021 0.000 1.014 108 T CA -0.863 61.229 62.100 -0.012 0.000 0.986 108 T CB 1.118 69.960 68.868 -0.043 0.000 1.021 108 T HN 0.447 nan 8.240 nan 0.000 0.458 109 V N -0.172 119.766 119.914 0.039 0.000 2.769 109 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 109 V C -0.837 175.279 176.094 0.037 0.000 1.061 109 V CA -1.054 61.271 62.300 0.041 0.000 0.931 109 V CB 1.591 33.449 31.823 0.059 0.000 1.010 109 V HN 1.076 nan 8.190 nan 0.000 0.433 110 E N 2.101 122.319 120.200 0.030 0.000 2.293 110 E HA 0.824 5.174 4.350 -0.000 0.000 0.270 110 E C -1.038 175.577 176.600 0.026 0.000 0.879 110 E CA -0.529 55.888 56.400 0.028 0.000 0.756 110 E CB 2.336 32.048 29.700 0.021 0.000 1.208 110 E HN 1.262 nan 8.360 nan 0.000 0.428 111 C N -0.530 118.786 119.300 0.026 0.000 3.216 111 C HA 0.435 4.895 4.460 -0.000 0.000 0.346 111 C C -0.951 174.052 174.990 0.021 0.000 1.384 111 C CA -1.210 57.822 59.018 0.024 0.000 1.208 111 C CB -0.287 27.473 27.740 0.032 0.000 1.483 111 C HN 0.761 nan 8.230 nan 0.000 0.453 112 L N 2.279 123.513 121.223 0.019 0.000 2.461 112 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 112 L C 2.256 179.137 176.870 0.018 0.000 1.197 112 L CA -0.090 54.761 54.840 0.017 0.000 0.836 112 L CB 0.483 42.552 42.059 0.016 0.000 1.105 112 L HN 1.013 nan 8.230 nan 0.000 0.477 113 R N 0.348 120.858 120.500 0.018 0.000 2.159 113 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 113 R C 0.496 176.805 176.300 0.014 0.000 1.131 113 R CA 1.481 57.591 56.100 0.016 0.000 0.982 113 R CB -0.319 29.992 30.300 0.019 0.000 0.868 113 R HN 0.593 nan 8.270 nan 0.000 0.453 114 D N 1.018 121.426 120.400 0.015 0.000 2.312 114 D HA -0.071 4.569 4.640 -0.000 0.000 0.211 114 D C 0.526 176.832 176.300 0.009 0.000 0.964 114 D CA 0.869 54.876 54.000 0.012 0.000 0.877 114 D CB -0.047 40.760 40.800 0.012 0.000 0.924 114 D HN 0.333 nan 8.370 nan 0.000 0.515 115 D N -0.266 120.142 120.400 0.012 0.000 2.363 115 D HA 0.034 4.674 4.640 -0.000 0.000 0.214 115 D C 1.934 178.240 176.300 0.011 0.000 1.093 115 D CA -0.020 53.988 54.000 0.013 0.000 0.837 115 D CB 1.000 41.814 40.800 0.025 0.000 0.948 115 D HN 0.007 nan 8.370 nan 0.000 0.507 116 V N 2.426 122.344 119.914 0.007 0.000 2.469 116 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 116 V C 2.381 178.465 176.094 -0.017 0.000 1.064 116 V CA 2.074 64.376 62.300 0.003 0.000 1.066 116 V CB -0.423 31.402 31.823 0.003 0.000 0.667 116 V HN 0.328 nan 8.190 nan 0.000 0.461 117 D N 0.245 120.628 120.400 -0.029 0.000 2.117 117 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 117 D C 2.025 178.262 176.300 -0.105 0.000 0.987 117 D CA 1.652 55.616 54.000 -0.059 0.000 0.829 117 D CB -0.367 40.403 40.800 -0.051 0.000 0.961 117 D HN 0.469 nan 8.370 nan 0.000 0.460 118 I N 0.323 120.839 120.570 -0.090 0.000 2.142 118 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 118 I C 2.670 178.722 176.117 -0.109 0.000 1.078 118 I CA 0.574 61.785 61.300 -0.148 0.000 1.343 118 I CB -0.195 37.785 38.000 -0.034 0.000 1.046 118 I HN 0.011 nan 8.210 nan 0.000 0.405 119 L N -0.390 120.861 121.223 0.047 0.000 2.046 119 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 119 L C 2.562 179.469 176.870 0.062 0.000 1.077 119 L CA 1.905 56.830 54.840 0.141 0.000 0.747 119 L CB -0.996 41.121 42.059 0.098 0.000 0.896 119 L HN 0.348 nan 8.230 nan 0.000 0.432 120 M N 0.127 119.713 119.600 -0.022 0.000 2.108 120 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 120 M C 2.176 178.392 176.300 -0.141 0.000 1.066 120 M CA 1.732 56.994 55.300 -0.064 0.000 1.107 120 M CB -0.461 32.093 32.600 -0.077 0.000 1.356 120 M HN 0.246 nan 8.290 nan 0.000 0.406 121 E N -1.131 118.929 120.200 -0.234 0.000 2.106 121 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 121 E C 1.769 178.220 176.600 -0.247 0.000 0.984 121 E CA 1.287 57.484 56.400 -0.338 0.000 0.806 121 E CB -0.153 29.282 29.700 -0.441 0.000 0.750 121 E HN 0.507 nan 8.360 nan 0.000 0.458 122 F N 0.755 120.649 119.950 -0.093 0.000 2.102 122 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 122 F C 2.287 178.044 175.800 -0.071 0.000 1.105 122 F CA 0.837 58.794 58.000 -0.071 0.000 1.239 122 F CB -0.901 38.071 39.000 -0.046 0.000 0.991 122 F HN 0.141 nan 8.300 nan 0.000 0.474 123 L N 0.054 121.354 121.223 0.128 0.000 2.042 123 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 123 L C 2.045 178.897 176.870 -0.031 0.000 1.076 123 L CA 1.760 56.631 54.840 0.052 0.000 0.749 123 L CB -0.861 41.221 42.059 0.038 0.000 0.893 123 L HN 0.133 nan 8.230 nan 0.000 0.432 124 L N -0.777 120.396 121.223 -0.084 0.000 2.093 124 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 124 L C 2.423 179.231 176.870 -0.105 0.000 1.085 124 L CA 1.104 55.867 54.840 -0.128 0.000 0.755 124 L CB -0.774 41.121 42.059 -0.273 0.000 0.904 124 L HN 0.391 nan 8.230 nan 0.000 0.435 125 N N -0.058 118.589 118.700 -0.088 0.000 2.084 125 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 125 N C 1.881 177.351 175.510 -0.068 0.000 1.030 125 N CA 1.373 54.385 53.050 -0.062 0.000 0.849 125 N CB -0.106 38.376 38.487 -0.008 0.000 1.012 125 N HN 0.101 nan 8.380 nan 0.000 0.423 126 V N 1.200 121.090 119.914 -0.040 0.000 2.343 126 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 126 V C 2.508 178.521 176.094 -0.136 0.000 1.051 126 V CA 2.258 64.520 62.300 -0.063 0.000 1.036 126 V CB -0.909 30.925 31.823 0.019 0.000 0.654 126 V HN 0.555 nan 8.190 nan 0.000 0.451 127 T N -2.940 111.517 114.554 -0.162 0.000 3.054 127 T HA -0.064 4.286 4.350 -0.000 0.000 0.259 127 T C 1.555 176.258 174.700 0.005 0.000 1.092 127 T CA 1.281 63.302 62.100 -0.132 0.000 1.121 127 T CB -0.068 68.664 68.868 -0.227 0.000 0.912 127 T HN 0.594 nan 8.240 nan 0.000 0.489 128 T N -1.979 112.554 114.554 -0.036 0.000 2.959 128 T HA 0.616 4.966 4.350 -0.000 0.000 0.254 128 T C 1.187 175.862 174.700 -0.042 0.000 1.003 128 T CA 0.180 62.278 62.100 -0.005 0.000 0.950 128 T CB 0.186 69.070 68.868 0.027 0.000 1.090 128 T HN 0.411 nan 8.240 nan 0.000 0.503 129 A N 2.559 125.327 122.820 -0.087 0.000 2.674 129 A HA 0.556 4.876 4.320 -0.000 0.000 0.286 129 A C -2.690 174.782 177.584 -0.187 0.000 0.980 129 A CA -1.207 50.770 52.037 -0.100 0.000 1.028 129 A CB 0.318 19.280 19.000 -0.064 0.000 1.199 129 A HN 0.412 nan 8.150 nan 0.000 0.499 130 P HA 0.120 nan 4.420 nan 0.000 0.272 130 P C -0.030 176.935 177.300 -0.557 0.000 1.223 130 P CA 0.339 63.060 63.100 -0.631 0.000 0.784 130 P CB 1.218 32.169 31.700 -1.247 0.000 0.923 131 E N 0.269 120.174 120.200 -0.492 0.000 2.413 131 E HA 0.093 4.443 4.350 -0.000 0.000 0.203 131 E C -0.249 176.252 176.600 -0.166 0.000 0.957 131 E CA -0.119 56.160 56.400 -0.201 0.000 0.950 131 E CB -0.169 29.456 29.700 -0.126 0.000 0.957 131 E HN 0.282 nan 8.360 nan 0.000 0.497 132 F N 1.850 121.666 119.950 -0.224 0.000 2.829 132 F HA -0.254 4.273 4.527 -0.000 0.000 0.237 132 F C 0.166 175.795 175.800 -0.285 0.000 1.017 132 F CA 0.402 58.213 58.000 -0.315 0.000 0.882 132 F CB -2.085 36.572 39.000 -0.572 0.000 0.795 132 F HN -0.067 nan 8.300 nan 0.000 0.848 133 R N 0.590 120.939 120.500 -0.252 0.000 2.570 133 R HA 0.122 4.462 4.340 -0.000 0.000 0.277 133 R C 1.653 177.591 176.300 -0.605 0.000 1.039 133 R CA -0.090 55.646 56.100 -0.607 0.000 1.065 133 R CB 0.411 30.057 30.300 -1.089 0.000 0.964 133 R HN 0.448 nan 8.270 nan 0.000 0.428 134 R N 2.561 122.746 120.500 -0.525 0.000 2.112 134 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 134 R C 1.665 177.905 176.300 -0.099 0.000 1.137 134 R CA 2.678 58.655 56.100 -0.205 0.000 0.944 134 R CB -0.203 30.091 30.300 -0.010 0.000 0.857 134 R HN 0.843 nan 8.270 nan 0.000 0.435 135 W N 0.089 121.406 121.300 0.028 0.000 2.467 135 W HA 0.066 4.726 4.660 -0.000 0.000 0.275 135 W C 1.360 177.889 176.519 0.018 0.000 1.239 135 W CA 0.656 58.012 57.345 0.018 0.000 1.266 135 W CB -0.278 29.192 29.460 0.016 0.000 1.112 135 W HN 0.101 nan 8.180 nan 0.000 0.576 136 E N 1.026 121.098 120.200 -0.213 0.000 2.072 136 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 136 E C 2.289 178.861 176.600 -0.046 0.000 0.982 136 E CA 1.475 57.835 56.400 -0.066 0.000 0.803 136 E CB -0.311 29.300 29.700 -0.147 0.000 0.755 136 E HN 0.176 nan 8.360 nan 0.000 0.453 137 V N 1.571 121.429 119.914 -0.093 0.000 2.343 137 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 137 V C 2.345 178.408 176.094 -0.050 0.000 1.051 137 V CA 1.861 64.116 62.300 -0.074 0.000 1.036 137 V CB -0.654 31.105 31.823 -0.106 0.000 0.654 137 V HN 0.295 nan 8.190 nan 0.000 0.451 138 A N 0.069 122.879 122.820 -0.017 0.000 1.877 138 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 138 A C 2.350 179.942 177.584 0.014 0.000 1.186 138 A CA 1.997 54.039 52.037 0.007 0.000 0.620 138 A CB -0.762 18.269 19.000 0.052 0.000 0.822 138 A HN 0.587 nan 8.150 nan 0.000 0.443 139 A N -1.200 121.644 122.820 0.040 0.000 2.121 139 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 139 A C 1.964 179.554 177.584 0.010 0.000 1.154 139 A CA 1.427 53.487 52.037 0.039 0.000 0.679 139 A CB -0.372 18.672 19.000 0.074 0.000 0.795 139 A HN 0.624 nan 8.150 nan 0.000 0.458 140 L N -0.945 120.271 121.223 -0.011 0.000 2.307 140 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 140 L C 2.196 179.029 176.870 -0.062 0.000 1.099 140 L CA 1.200 56.020 54.840 -0.033 0.000 0.816 140 L CB -0.434 41.601 42.059 -0.041 0.000 0.952 140 L HN 0.335 nan 8.230 nan 0.000 0.455 141 Q N 0.458 120.218 119.800 -0.066 0.000 2.096 141 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 141 Q C -0.171 175.783 176.000 -0.077 0.000 0.993 141 Q CA 2.387 58.137 55.803 -0.087 0.000 0.862 141 Q CB -1.984 26.711 28.738 -0.072 0.000 0.915 141 Q HN 0.439 nan 8.270 nan 0.000 0.416 142 P HA -0.172 nan 4.420 nan 0.000 0.217 142 P C 1.333 178.608 177.300 -0.040 0.000 1.148 142 P CA 1.371 64.450 63.100 -0.035 0.000 0.828 142 P CB -0.084 31.605 31.700 -0.018 0.000 0.783 143 Q N -0.379 119.391 119.800 -0.049 0.000 2.181 143 Q HA -0.147 4.193 4.340 -0.000 0.000 0.205 143 Q C 1.895 177.857 176.000 -0.064 0.000 0.980 143 Q CA 1.454 57.229 55.803 -0.047 0.000 0.862 143 Q CB -1.242 27.466 28.738 -0.050 0.000 0.905 143 Q HN 0.221 nan 8.270 nan 0.000 0.429 144 L N -0.612 120.535 121.223 -0.126 0.000 2.046 144 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 144 L C 2.618 179.478 176.870 -0.016 0.000 1.077 144 L CA 1.604 56.336 54.840 -0.181 0.000 0.747 144 L CB -0.370 41.542 42.059 -0.245 0.000 0.896 144 L HN 0.198 nan 8.230 nan 0.000 0.432 145 R N 0.343 120.829 120.500 -0.023 0.000 2.075 145 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 145 R C 2.331 178.633 176.300 0.004 0.000 1.126 145 R CA 1.319 57.417 56.100 -0.003 0.000 0.963 145 R CB -0.153 30.140 30.300 -0.012 0.000 0.858 145 R HN 0.268 nan 8.270 nan 0.000 0.435 146 I N 0.521 121.092 120.570 0.000 0.000 2.179 146 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 146 I C 2.027 178.152 176.117 0.013 0.000 1.088 146 I CA 1.620 62.921 61.300 0.002 0.000 1.357 146 I CB -0.346 37.653 38.000 -0.000 0.000 1.051 146 I HN 0.231 nan 8.210 nan 0.000 0.409 147 D N 0.865 121.296 120.400 0.052 0.000 2.149 147 D HA -0.246 4.394 4.640 -0.000 0.000 0.198 147 D C 2.172 178.512 176.300 0.067 0.000 0.990 147 D CA 1.432 55.497 54.000 0.108 0.000 0.839 147 D CB 0.026 40.967 40.800 0.235 0.000 0.948 147 D HN 0.116 nan 8.370 nan 0.000 0.460 148 K N -0.413 120.029 120.400 0.071 0.000 2.062 148 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 148 K C 2.056 178.526 176.600 -0.218 0.000 1.051 148 K CA 1.008 57.217 56.287 -0.129 0.000 0.941 148 K CB -0.164 32.341 32.500 0.008 0.000 0.719 148 K HN 0.110 nan 8.250 nan 0.000 0.440 149 A N 0.721 123.480 122.820 -0.102 0.000 1.908 149 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 149 A C 2.207 179.730 177.584 -0.102 0.000 1.181 149 A CA 1.698 53.682 52.037 -0.088 0.000 0.627 149 A CB -0.666 18.310 19.000 -0.040 0.000 0.818 149 A HN 0.179 nan 8.150 nan 0.000 0.445 150 V N -0.327 119.534 119.914 -0.088 0.000 2.358 150 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 150 V C 3.042 179.061 176.094 -0.124 0.000 1.047 150 V CA 1.923 64.178 62.300 -0.075 0.000 1.035 150 V CB -1.180 30.620 31.823 -0.039 0.000 0.658 150 V HN 0.623 nan 8.190 nan 0.000 0.452 151 A N -0.318 122.368 122.820 -0.225 0.000 1.898 151 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 151 A C 2.060 179.438 177.584 -0.344 0.000 1.181 151 A CA 1.359 53.201 52.037 -0.326 0.000 0.620 151 A CB -0.499 18.061 19.000 -0.734 0.000 0.819 151 A HN 0.486 nan 8.150 nan 0.000 0.442 152 L N -0.090 120.890 121.223 -0.404 0.000 2.622 152 L HA -0.111 4.229 4.340 -0.000 0.000 0.233 152 L C 2.097 178.908 176.870 -0.098 0.000 1.156 152 L CA 0.478 55.070 54.840 -0.413 0.000 0.866 152 L CB -0.586 41.172 42.059 -0.501 0.000 0.980 152 L HN 0.572 nan 8.230 nan 0.000 0.448 153 Q N -0.167 119.591 119.800 -0.070 0.000 2.436 153 Q HA 0.001 4.341 4.340 -0.000 0.000 0.209 153 Q C 0.160 176.165 176.000 0.008 0.000 0.965 153 Q CA 0.362 56.162 55.803 -0.005 0.000 0.910 153 Q CB 0.138 28.864 28.738 -0.020 0.000 0.980 153 Q HN 0.520 nan 8.270 nan 0.000 0.491 154 N N 1.448 120.142 118.700 -0.011 0.000 2.414 154 N HA 0.098 4.838 4.740 -0.000 0.000 0.256 154 N C -2.148 173.392 175.510 0.050 0.000 1.029 154 N CA -1.250 51.804 53.050 0.006 0.000 0.948 154 N CB 1.472 39.956 38.487 -0.005 0.000 1.102 154 N HN -0.083 nan 8.380 nan 0.000 0.496 155 P HA -0.116 nan 4.420 nan 0.000 0.218 155 P C 0.989 178.312 177.300 0.038 0.000 1.148 155 P CA 1.294 64.316 63.100 -0.130 0.000 0.822 155 P CB 0.481 31.718 31.700 -0.772 0.000 0.784 156 Q N -0.460 119.412 119.800 0.120 0.000 2.135 156 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 156 Q C 2.239 178.349 176.000 0.183 0.000 0.981 156 Q CA 1.937 57.888 55.803 0.247 0.000 0.856 156 Q CB -1.294 27.510 28.738 0.110 0.000 0.902 156 Q HN 0.194 nan 8.270 nan 0.000 0.425 157 A N 0.447 123.321 122.820 0.089 0.000 1.902 157 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 157 A C 1.807 179.406 177.584 0.024 0.000 1.181 157 A CA 1.509 53.562 52.037 0.027 0.000 0.623 157 A CB -0.734 18.196 19.000 -0.118 0.000 0.818 157 A HN 0.418 nan 8.150 nan 0.000 0.443 158 H N -0.632 118.440 119.070 0.004 0.000 2.290 158 H HA -0.113 4.443 4.556 -0.000 0.000 0.298 158 H C 2.358 177.710 175.328 0.040 0.000 1.087 158 H CA 1.926 57.975 56.048 0.001 0.000 1.291 158 H CB -0.472 29.268 29.762 -0.036 0.000 1.369 158 H HN 0.298 nan 8.280 nan 0.000 0.492 159 V N 1.450 121.492 119.914 0.213 0.000 2.287 159 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 159 V C 2.610 178.792 176.094 0.147 0.000 1.053 159 V CA 1.342 63.730 62.300 0.147 0.000 1.027 159 V CB -0.400 31.528 31.823 0.176 0.000 0.646 159 V HN 0.278 nan 8.190 nan 0.000 0.447 160 I N -0.233 120.464 120.570 0.211 0.000 2.394 160 I HA -0.097 4.072 4.170 -0.000 0.000 0.251 160 I C 2.509 178.805 176.117 0.299 0.000 1.136 160 I CA 1.137 62.583 61.300 0.244 0.000 1.425 160 I CB -1.283 36.898 38.000 0.301 0.000 1.079 160 I HN 0.362 nan 8.210 nan 0.000 0.425 161 E N 0.776 121.092 120.200 0.194 0.000 2.072 161 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 161 E C 1.851 178.550 176.600 0.165 0.000 0.982 161 E CA 0.726 57.221 56.400 0.159 0.000 0.803 161 E CB -0.352 29.410 29.700 0.103 0.000 0.755 161 E HN 0.469 nan 8.360 nan 0.000 0.453 162 N N 0.984 119.761 118.700 0.129 0.000 2.244 162 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 162 N C 1.873 177.426 175.510 0.072 0.000 1.016 162 N CA 0.337 53.441 53.050 0.089 0.000 0.866 162 N CB -0.264 38.258 38.487 0.057 0.000 0.980 162 N HN 0.089 nan 8.380 nan 0.000 0.430 163 L N 0.908 122.177 121.223 0.076 0.000 2.017 163 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 163 L C 1.758 178.641 176.870 0.021 0.000 1.073 163 L CA 1.912 56.745 54.840 -0.013 0.000 0.745 163 L CB -0.810 41.191 42.059 -0.098 0.000 0.894 163 L HN 0.171 nan 8.230 nan 0.000 0.432 164 H N -0.904 118.234 119.070 0.113 0.000 2.389 164 H HA 0.043 4.599 4.556 -0.000 0.000 0.299 164 H C 2.152 177.580 175.328 0.168 0.000 1.081 164 H CA 1.368 57.545 56.048 0.215 0.000 1.345 164 H CB -0.347 29.541 29.762 0.209 0.000 1.393 164 H HN 0.481 nan 8.280 nan 0.000 0.520 165 A N 0.629 123.579 122.820 0.215 0.000 1.972 165 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 165 A C 2.453 180.081 177.584 0.074 0.000 1.169 165 A CA 1.499 53.617 52.037 0.135 0.000 0.635 165 A CB -0.846 18.214 19.000 0.100 0.000 0.810 165 A HN 0.469 nan 8.150 nan 0.000 0.446 166 A N -0.457 122.373 122.820 0.017 0.000 1.930 166 A HA 0.335 4.655 4.320 -0.000 0.000 0.215 166 A C 2.420 179.888 177.584 -0.192 0.000 1.176 166 A CA 1.581 53.577 52.037 -0.069 0.000 0.632 166 A CB -0.752 18.193 19.000 -0.092 0.000 0.819 166 A HN 0.910 nan 8.150 nan 0.000 0.445 167 A N -1.533 121.139 122.820 -0.248 0.000 1.929 167 A HA 0.258 4.578 4.320 -0.000 0.000 0.216 167 A C 0.676 177.788 177.584 -0.785 0.000 1.176 167 A CA 0.626 52.284 52.037 -0.632 0.000 0.628 167 A CB -0.316 18.329 19.000 -0.593 0.000 0.816 167 A HN 0.467 nan 8.150 nan 0.000 0.444 168 Y N -1.663 118.571 120.300 -0.110 0.000 2.446 168 Y HA 0.521 5.071 4.550 -0.000 0.000 0.338 168 Y C 1.255 177.156 175.900 0.002 0.000 1.055 168 Y CA -0.869 57.206 58.100 -0.040 0.000 1.101 168 Y CB 1.444 39.915 38.460 0.018 0.000 1.221 168 Y HN 0.013 nan 8.280 nan 0.000 0.460 169 R N 0.983 121.583 120.500 0.166 0.000 2.193 169 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 169 R C 0.010 176.344 176.300 0.056 0.000 1.055 169 R CA 0.908 57.035 56.100 0.046 0.000 0.995 169 R CB -0.039 30.241 30.300 -0.034 0.000 0.893 169 R HN 0.774 nan 8.270 nan 0.000 0.459 170 N N -2.167 116.585 118.700 0.087 0.000 3.449 170 N HA 0.235 4.975 4.740 -0.000 0.000 0.312 170 N C 0.258 175.753 175.510 -0.025 0.000 1.582 170 N CA 0.000 53.069 53.050 0.031 0.000 0.850 170 N CB 0.194 38.692 38.487 0.019 0.000 1.822 170 N HN -0.094 nan 8.380 nan 0.000 0.577 171 A N 0.335 123.109 122.820 -0.077 0.000 4.404 171 A HA -0.339 3.981 4.320 -0.000 0.000 0.367 171 A C 1.677 179.094 177.584 -0.277 0.000 1.591 171 A CA 2.920 54.844 52.037 -0.188 0.000 0.807 171 A CB -2.181 16.688 19.000 -0.219 0.000 1.524 171 A HN 0.727 nan 8.150 nan 0.000 0.540 172 L N -0.216 120.745 121.223 -0.437 0.000 2.456 172 L HA -0.002 4.338 4.340 -0.000 0.000 0.224 172 L C 2.858 179.604 176.870 -0.207 0.000 1.148 172 L CA 0.976 55.481 54.840 -0.558 0.000 0.825 172 L CB -0.534 40.836 42.059 -1.149 0.000 0.937 172 L HN 0.754 nan 8.230 nan 0.000 0.450 173 A N -0.611 122.185 122.820 -0.040 0.000 2.066 173 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 173 A C 0.930 178.540 177.584 0.043 0.000 1.157 173 A CA 0.374 52.487 52.037 0.128 0.000 0.670 173 A CB -0.383 18.705 19.000 0.146 0.000 0.804 173 A HN 0.369 nan 8.150 nan 0.000 0.453 174 N N 1.059 119.734 118.700 -0.042 0.000 2.458 174 N HA 0.106 4.846 4.740 -0.000 0.000 0.258 174 N C 0.085 175.544 175.510 -0.084 0.000 1.219 174 N CA 0.317 53.335 53.050 -0.053 0.000 0.902 174 N CB 0.624 39.062 38.487 -0.082 0.000 1.076 174 N HN 0.253 nan 8.380 nan 0.000 0.455 175 S N 1.067 116.736 115.700 -0.051 0.000 2.603 175 S HA 0.220 4.690 4.470 -0.000 0.000 0.268 175 S C 1.535 176.035 174.600 -0.166 0.000 1.317 175 S CA -0.628 57.533 58.200 -0.065 0.000 1.012 175 S CB 0.387 63.596 63.200 0.015 0.000 0.926 175 S HN 0.460 nan 8.310 nan 0.000 0.539 176 L N 2.149 123.208 121.223 -0.273 0.000 2.478 176 L HA 0.153 4.493 4.340 -0.000 0.000 0.223 176 L C -0.461 175.889 176.870 -0.868 0.000 1.140 176 L CA 0.397 54.909 54.840 -0.548 0.000 0.842 176 L CB -0.185 41.454 42.059 -0.700 0.000 0.953 176 L HN 0.606 nan 8.230 nan 0.000 0.452 177 Y N -1.695 118.451 120.300 -0.257 0.000 2.409 177 Y HA 0.244 4.794 4.550 -0.000 0.000 0.339 177 Y C 0.371 176.245 175.900 -0.043 0.000 1.033 177 Y CA -1.290 56.633 58.100 -0.294 0.000 1.094 177 Y CB 1.147 39.459 38.460 -0.246 0.000 1.210 177 Y HN -0.192 nan 8.280 nan 0.000 0.456 178 C N 5.984 125.484 119.300 0.332 0.000 2.634 178 C HA 0.214 4.674 4.460 -0.000 0.000 0.418 178 C C -2.075 172.944 174.990 0.048 0.000 1.373 178 C CA -1.361 57.737 59.018 0.133 0.000 1.756 178 C CB -0.599 27.189 27.740 0.081 0.000 2.589 178 C HN 0.547 nan 8.230 nan 0.000 0.602 179 P HA 0.129 nan 4.420 nan 0.000 0.269 179 P C 0.264 177.512 177.300 -0.087 0.000 1.215 179 P CA 0.218 63.297 63.100 -0.036 0.000 0.780 179 P CB 0.544 32.211 31.700 -0.056 0.000 0.898 180 D N 0.677 121.089 120.400 0.020 0.000 2.149 180 D HA -0.191 4.448 4.640 -0.000 0.000 0.198 180 D C 1.639 177.944 176.300 0.008 0.000 0.990 180 D CA 1.681 55.693 54.000 0.020 0.000 0.839 180 D CB -0.847 39.990 40.800 0.063 0.000 0.948 180 D HN 0.599 nan 8.370 nan 0.000 0.460 181 Y N -0.105 120.202 120.300 0.010 0.000 2.497 181 Y HA 0.059 4.609 4.550 -0.000 0.000 0.292 181 Y C 1.712 177.611 175.900 -0.001 0.000 1.137 181 Y CA 0.732 58.835 58.100 0.005 0.000 1.285 181 Y CB -0.089 38.375 38.460 0.006 0.000 0.991 181 Y HN -0.214 nan 8.280 nan 0.000 0.556 182 R N 1.101 121.185 120.500 -0.694 0.000 2.246 182 R HA 0.233 4.573 4.340 -0.000 0.000 0.199 182 R C 0.290 176.444 176.300 -0.243 0.000 0.984 182 R CA 0.032 55.815 56.100 -0.528 0.000 1.015 182 R CB -0.182 29.743 30.300 -0.626 0.000 0.930 182 R HN 0.390 nan 8.270 nan 0.000 0.475 183 I N 1.282 121.748 120.570 -0.175 0.000 2.664 183 I HA -0.083 4.087 4.170 -0.000 0.000 0.284 183 I C 1.229 177.297 176.117 -0.082 0.000 1.154 183 I CA 1.083 62.314 61.300 -0.115 0.000 1.402 183 I CB 0.326 38.281 38.000 -0.075 0.000 1.395 183 I HN 0.428 nan 8.210 nan 0.000 0.545 184 G N 5.303 114.052 108.800 -0.084 0.000 2.194 184 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 184 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 184 G C 0.900 175.768 174.900 -0.054 0.000 0.987 184 G CA -0.265 44.801 45.100 -0.056 0.000 0.635 184 G HN 0.562 nan 8.290 nan 0.000 0.520 185 K N 0.044 120.400 120.400 -0.075 0.000 2.380 185 K HA 0.357 4.677 4.320 -0.000 0.000 0.198 185 K C 0.962 177.512 176.600 -0.082 0.000 1.070 185 K CA 0.191 56.441 56.287 -0.061 0.000 1.040 185 K CB 1.142 33.614 32.500 -0.047 0.000 0.903 185 K HN 0.347 nan 8.250 nan 0.000 0.549 186 V N 4.134 123.976 119.914 -0.119 0.000 2.485 186 V HA -0.007 4.113 4.120 -0.000 0.000 0.287 186 V C 0.878 176.892 176.094 -0.132 0.000 1.022 186 V CA 0.069 62.284 62.300 -0.143 0.000 1.067 186 V CB 0.062 31.771 31.823 -0.190 0.000 0.967 186 V HN 0.328 nan 8.190 nan 0.000 0.479 187 T N 3.421 117.906 114.554 -0.114 0.000 2.902 187 T HA 0.396 4.745 4.350 -0.000 0.000 0.280 187 T C -1.834 172.777 174.700 -0.147 0.000 0.992 187 T CA -2.049 59.992 62.100 -0.098 0.000 1.015 187 T CB 1.817 70.657 68.868 -0.047 0.000 1.044 187 T HN 0.347 nan 8.240 nan 0.000 0.520 188 P HA -0.038 nan 4.420 nan 0.000 0.217 188 P C 1.719 178.999 177.300 -0.034 0.000 1.150 188 P CA 0.413 63.440 63.100 -0.122 0.000 0.832 188 P CB -0.085 31.614 31.700 -0.002 0.000 0.787 189 V N -0.171 119.771 119.914 0.047 0.000 2.427 189 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 189 V C 2.270 178.387 176.094 0.038 0.000 1.051 189 V CA 1.822 64.181 62.300 0.098 0.000 1.048 189 V CB -1.051 30.806 31.823 0.057 0.000 0.666 189 V HN 0.155 nan 8.190 nan 0.000 0.456 190 E N -0.159 120.019 120.200 -0.037 0.000 2.077 190 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 190 E C 2.199 178.740 176.600 -0.099 0.000 0.989 190 E CA 1.292 57.666 56.400 -0.043 0.000 0.800 190 E CB -0.167 29.488 29.700 -0.076 0.000 0.746 190 E HN 0.503 nan 8.360 nan 0.000 0.452 191 L N 0.190 121.219 121.223 -0.323 0.000 2.027 191 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 191 L C 2.528 179.156 176.870 -0.403 0.000 1.074 191 L CA 1.027 55.468 54.840 -0.665 0.000 0.745 191 L CB -0.504 40.629 42.059 -1.543 0.000 0.898 191 L HN 0.270 nan 8.230 nan 0.000 0.433 192 H N 0.073 119.072 119.070 -0.118 0.000 2.319 192 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 192 H C 1.916 177.276 175.328 0.053 0.000 1.092 192 H CA 1.805 57.931 56.048 0.130 0.000 1.302 192 H CB -0.181 29.652 29.762 0.119 0.000 1.373 192 H HN 0.350 nan 8.280 nan 0.000 0.497 193 D N -0.064 120.432 120.400 0.160 0.000 2.144 193 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 193 D C 2.131 178.484 176.300 0.088 0.000 0.984 193 D CA 0.724 54.780 54.000 0.092 0.000 0.834 193 D CB -0.688 40.155 40.800 0.072 0.000 0.955 193 D HN 0.357 nan 8.370 nan 0.000 0.465 194 Y N 1.280 121.591 120.300 0.018 0.000 2.128 194 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 194 Y C 2.342 178.311 175.900 0.115 0.000 1.154 194 Y CA 1.224 59.403 58.100 0.130 0.000 1.149 194 Y CB -0.210 38.285 38.460 0.059 0.000 0.976 194 Y HN -0.207 nan 8.280 nan 0.000 0.505 195 V N 0.164 120.116 119.914 0.062 0.000 2.343 195 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 195 V C 2.131 178.171 176.094 -0.091 0.000 1.051 195 V CA 2.323 64.447 62.300 -0.293 0.000 1.036 195 V CB -0.664 30.967 31.823 -0.319 0.000 0.654 195 V HN 0.450 nan 8.190 nan 0.000 0.451 196 Q N -0.248 119.539 119.800 -0.021 0.000 2.124 196 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 196 Q C 2.157 178.098 176.000 -0.098 0.000 0.977 196 Q CA 1.597 57.385 55.803 -0.025 0.000 0.850 196 Q CB -0.173 28.562 28.738 -0.006 0.000 0.901 196 Q HN 0.619 nan 8.270 nan 0.000 0.429 197 N N -0.601 117.962 118.700 -0.228 0.000 2.300 197 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 197 N C 0.905 176.041 175.510 -0.623 0.000 1.016 197 N CA 1.203 53.965 53.050 -0.481 0.000 0.876 197 N CB 0.090 38.130 38.487 -0.745 0.000 0.979 197 N HN 0.455 nan 8.380 nan 0.000 0.432 198 H N -2.082 116.931 119.070 -0.095 0.000 2.855 198 H HA 0.265 4.821 4.556 -0.000 0.000 0.259 198 H C -0.272 175.155 175.328 0.166 0.000 0.972 198 H CA -0.219 55.790 56.048 -0.065 0.000 1.213 198 H CB 0.164 29.791 29.762 -0.224 0.000 1.451 198 H HN -0.026 nan 8.280 nan 0.000 0.484 199 F N 3.278 123.232 119.950 0.007 0.000 2.626 199 F HA 0.240 4.767 4.527 -0.000 0.000 0.353 199 F C 0.648 176.437 175.800 -0.019 0.000 1.230 199 F CA -0.765 57.243 58.000 0.013 0.000 1.298 199 F CB -0.581 38.434 39.000 0.025 0.000 1.670 199 F HN -0.022 nan 8.300 nan 0.000 0.633 200 T N -3.549 111.062 114.554 0.095 0.000 2.908 200 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 200 T C 1.254 175.960 174.700 0.010 0.000 1.034 200 T CA -0.653 61.469 62.100 0.037 0.000 1.010 200 T CB 1.775 70.641 68.868 -0.003 0.000 1.068 200 T HN 0.070 nan 8.240 nan 0.000 0.481 201 S N 1.280 116.984 115.700 0.006 0.000 2.372 201 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 201 S C 2.314 176.909 174.600 -0.009 0.000 1.044 201 S CA 1.666 59.864 58.200 -0.003 0.000 1.050 201 S CB -0.920 62.277 63.200 -0.005 0.000 0.901 201 S HN 1.003 nan 8.310 nan 0.000 0.447 202 A N 0.664 123.479 122.820 -0.009 0.000 2.209 202 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 202 A C 1.718 179.298 177.584 -0.007 0.000 1.158 202 A CA 0.612 52.646 52.037 -0.006 0.000 0.742 202 A CB -0.177 18.819 19.000 -0.006 0.000 0.790 202 A HN 0.455 nan 8.150 nan 0.000 0.472 203 R N -1.398 119.091 120.500 -0.018 0.000 2.577 203 R HA 0.441 4.781 4.340 -0.000 0.000 0.344 203 R C -0.531 175.755 176.300 -0.023 0.000 1.037 203 R CA -0.008 56.076 56.100 -0.027 0.000 1.102 203 R CB 0.375 30.638 30.300 -0.061 0.000 1.313 203 R HN 0.418 nan 8.270 nan 0.000 0.561 204 M N -0.023 119.569 119.600 -0.014 0.000 2.644 204 M HA 0.633 5.113 4.480 -0.000 0.000 0.304 204 M C -1.216 175.087 176.300 0.006 0.000 1.215 204 M CA -0.966 54.329 55.300 -0.007 0.000 0.871 204 M CB 2.638 35.220 32.600 -0.029 0.000 1.740 204 M HN -0.026 nan 8.290 nan 0.000 0.464 205 A N 2.129 124.972 122.820 0.040 0.000 2.408 205 A HA 0.773 5.093 4.320 -0.000 0.000 0.295 205 A C -1.930 175.687 177.584 0.054 0.000 1.040 205 A CA -0.565 51.473 52.037 0.001 0.000 0.707 205 A CB 1.395 20.371 19.000 -0.040 0.000 1.235 205 A HN 0.725 nan 8.150 nan 0.000 0.418 206 L N 4.520 125.735 121.223 -0.014 0.000 2.276 206 L HA 0.624 4.964 4.340 -0.000 0.000 0.286 206 L C -1.104 175.754 176.870 -0.020 0.000 1.024 206 L CA -0.340 54.509 54.840 0.014 0.000 0.826 206 L CB 0.676 42.719 42.059 -0.028 0.000 1.211 206 L HN 0.540 nan 8.230 nan 0.000 0.422 207 I N 4.590 125.191 120.570 0.051 0.000 2.404 207 I HA 0.655 4.825 4.170 -0.000 0.000 0.293 207 I C 0.562 176.711 176.117 0.053 0.000 0.992 207 I CA -0.462 60.841 61.300 0.005 0.000 1.149 207 I CB 1.189 39.156 38.000 -0.054 0.000 1.315 207 I HN 0.679 nan 8.210 nan 0.000 0.446 208 G N 5.539 114.358 108.800 0.032 0.000 2.571 208 G HA2 0.682 4.642 3.960 -0.000 0.000 0.304 208 G HA3 0.682 4.642 3.960 -0.000 0.000 0.304 208 G C -1.926 173.016 174.900 0.070 0.000 1.314 208 G CA -0.427 44.702 45.100 0.048 0.000 0.975 208 G HN 0.371 nan 8.290 nan 0.000 0.485 209 L N 1.273 122.537 121.223 0.068 0.000 2.381 209 L HA 0.677 5.017 4.340 -0.000 0.000 0.274 209 L C 0.853 177.729 176.870 0.009 0.000 0.988 209 L CA 0.767 55.644 54.840 0.061 0.000 0.824 209 L CB 1.743 43.864 42.059 0.102 0.000 1.263 209 L HN 1.426 nan 8.230 nan 0.000 0.410 210 G N 3.145 111.921 108.800 -0.039 0.000 2.221 210 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.265 210 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.265 210 G C -0.398 174.480 174.900 -0.036 0.000 1.041 210 G CA 0.470 45.535 45.100 -0.059 0.000 0.807 210 G HN 0.880 nan 8.290 nan 0.000 0.502 211 V N -0.161 119.734 119.914 -0.031 0.000 2.925 211 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 211 V C 0.515 176.599 176.094 -0.017 0.000 1.104 211 V CA 0.170 62.460 62.300 -0.017 0.000 0.954 211 V CB 2.171 33.992 31.823 -0.005 0.000 1.022 211 V HN 1.410 nan 8.190 nan 0.000 0.427 212 S N 3.297 118.992 115.700 -0.008 0.000 2.565 212 S HA 0.231 4.701 4.470 -0.000 0.000 0.276 212 S C 0.916 175.536 174.600 0.034 0.000 1.326 212 S CA 0.603 58.811 58.200 0.013 0.000 1.045 212 S CB 0.879 64.090 63.200 0.018 0.000 0.918 212 S HN 1.010 nan 8.310 nan 0.000 0.505 213 H N 3.465 122.519 119.070 -0.027 0.000 2.352 213 H HA 0.057 4.613 4.556 -0.000 0.000 0.299 213 H C -1.258 174.059 175.328 -0.017 0.000 1.097 213 H CA 2.254 58.287 56.048 -0.025 0.000 1.311 213 H CB -1.160 28.589 29.762 -0.021 0.000 1.377 213 H HN 0.542 nan 8.280 nan 0.000 0.504 214 P HA -0.208 nan 4.420 nan 0.000 0.215 214 P C 1.851 179.131 177.300 -0.033 0.000 1.157 214 P CA 2.177 65.290 63.100 0.023 0.000 0.874 214 P CB -0.198 31.528 31.700 0.043 0.000 0.790 215 V N -2.765 117.133 119.914 -0.026 0.000 2.379 215 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 215 V C 2.110 178.173 176.094 -0.052 0.000 1.044 215 V CA 1.576 63.861 62.300 -0.025 0.000 1.036 215 V CB -1.729 30.089 31.823 -0.007 0.000 0.664 215 V HN 0.000 nan 8.190 nan 0.000 0.453 216 L N 0.122 121.285 121.223 -0.100 0.000 2.079 216 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 216 L C 2.865 179.639 176.870 -0.161 0.000 1.081 216 L CA 2.448 57.211 54.840 -0.128 0.000 0.752 216 L CB -0.604 41.343 42.059 -0.185 0.000 0.896 216 L HN 0.432 nan 8.230 nan 0.000 0.433 217 K N 0.146 120.406 120.400 -0.233 0.000 2.057 217 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 217 K C 2.176 178.723 176.600 -0.090 0.000 1.050 217 K CA 1.498 57.669 56.287 -0.194 0.000 0.935 217 K CB 0.000 32.384 32.500 -0.194 0.000 0.715 217 K HN 0.225 nan 8.250 nan 0.000 0.439 218 Q N 0.257 120.022 119.800 -0.058 0.000 2.119 218 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 218 Q C 1.844 177.843 176.000 -0.001 0.000 0.972 218 Q CA 1.383 57.167 55.803 -0.033 0.000 0.847 218 Q CB 0.144 28.873 28.738 -0.014 0.000 0.903 218 Q HN 0.172 nan 8.270 nan 0.000 0.433 219 V N 0.853 120.796 119.914 0.048 0.000 2.295 219 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 219 V C 2.336 178.520 176.094 0.149 0.000 1.049 219 V CA 1.842 64.248 62.300 0.176 0.000 1.024 219 V CB -0.974 30.916 31.823 0.111 0.000 0.648 219 V HN 0.557 nan 8.190 nan 0.000 0.447 220 A N -0.460 122.380 122.820 0.033 0.000 1.898 220 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 220 A C 2.145 179.718 177.584 -0.018 0.000 1.181 220 A CA 1.806 53.847 52.037 0.007 0.000 0.620 220 A CB -0.431 18.540 19.000 -0.047 0.000 0.819 220 A HN 0.639 nan 8.150 nan 0.000 0.442 221 E N -0.952 119.217 120.200 -0.051 0.000 2.106 221 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 221 E C 2.181 178.700 176.600 -0.136 0.000 0.984 221 E CA 1.367 57.721 56.400 -0.078 0.000 0.806 221 E CB -0.110 29.544 29.700 -0.076 0.000 0.750 221 E HN 0.815 nan 8.360 nan 0.000 0.458 222 Q N -0.693 118.974 119.800 -0.221 0.000 2.302 222 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 222 Q C 0.781 176.354 176.000 -0.711 0.000 0.936 222 Q CA 0.917 56.412 55.803 -0.512 0.000 0.886 222 Q CB 0.344 28.652 28.738 -0.717 0.000 0.986 222 Q HN 0.202 nan 8.270 nan 0.000 0.487 223 F N -1.425 118.505 119.950 -0.033 0.000 2.817 223 F HA 0.281 4.808 4.527 -0.000 0.000 0.333 223 F C 0.589 176.373 175.800 -0.026 0.000 1.085 223 F CA -0.150 57.832 58.000 -0.030 0.000 1.170 223 F CB 0.921 39.901 39.000 -0.034 0.000 1.066 223 F HN -0.086 nan 8.300 nan 0.000 0.564 224 L N 0.264 121.554 121.223 0.110 0.000 3.110 224 L HA 0.290 4.630 4.340 -0.000 0.000 0.266 224 L C 0.170 177.052 176.870 0.021 0.000 1.257 224 L CA -0.058 54.820 54.840 0.063 0.000 1.038 224 L CB -0.049 42.038 42.059 0.047 0.000 1.395 224 L HN -0.051 nan 8.230 nan 0.000 0.566 225 N N 2.113 120.815 118.700 0.003 0.000 2.767 225 N HA 0.378 5.118 4.740 -0.000 0.000 0.238 225 N C -0.974 174.535 175.510 -0.002 0.000 1.083 225 N CA 0.007 53.050 53.050 -0.012 0.000 0.964 225 N CB 0.265 38.731 38.487 -0.034 0.000 1.252 225 N HN 0.177 nan 8.380 nan 0.000 0.512 226 I N 2.379 122.952 120.570 0.006 0.000 2.466 226 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 226 I C 0.222 176.341 176.117 0.003 0.000 1.026 226 I CA -0.819 60.488 61.300 0.011 0.000 1.078 226 I CB 1.689 39.708 38.000 0.032 0.000 1.249 226 I HN 0.098 nan 8.210 nan 0.000 0.429 227 R N 2.340 122.837 120.500 -0.005 0.000 3.024 227 R HA 0.780 5.120 4.340 -0.000 0.000 0.224 227 R C 0.526 176.814 176.300 -0.019 0.000 1.490 227 R CA -0.335 55.757 56.100 -0.013 0.000 1.057 227 R CB 0.517 30.808 30.300 -0.014 0.000 1.723 227 R HN 0.798 nan 8.270 nan 0.000 0.520 228 G N -0.395 108.389 108.800 -0.027 0.000 2.198 228 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.257 228 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.257 228 G C 0.512 175.377 174.900 -0.059 0.000 1.042 228 G CA 0.374 45.452 45.100 -0.037 0.000 0.791 228 G HN 0.737 nan 8.290 nan 0.000 0.502 229 G N -1.149 107.610 108.800 -0.069 0.000 2.679 229 G HA2 0.597 4.557 3.960 -0.000 0.000 0.202 229 G HA3 0.597 4.557 3.960 -0.000 0.000 0.202 229 G C 0.312 175.126 174.900 -0.144 0.000 1.566 229 G CA -0.431 44.598 45.100 -0.119 0.000 1.074 229 G HN 0.662 nan 8.290 nan 0.000 0.564 230 L N -0.441 120.671 121.223 -0.184 0.000 2.333 230 L HA 0.744 5.084 4.340 -0.000 0.000 0.269 230 L C 0.467 177.289 176.870 -0.081 0.000 1.010 230 L CA -0.321 54.431 54.840 -0.147 0.000 0.818 230 L CB 2.058 43.990 42.059 -0.211 0.000 1.306 230 L HN 0.842 nan 8.230 nan 0.000 0.430 231 G N 1.597 110.375 108.800 -0.037 0.000 0.000 231 G HA2 0.547 4.507 3.960 -0.000 0.000 0.000 231 G HA3 0.547 4.507 3.960 -0.000 0.000 0.000 231 G C -2.349 nan 174.900 nan 0.000 0.000 231 G CA -0.488 nan 45.100 nan 0.000 0.000 231 G HN 0.420 nan 8.290 nan 0.000 0.000 232 L N 0.611 121.803 121.223 -0.051 0.000 0.000 232 L HA 0.631 4.971 4.340 -0.000 0.000 0.000 232 L C -0.395 176.467 176.870 -0.013 0.000 0.000 232 L CA 0.858 55.675 54.840 -0.037 0.000 0.000 232 L CB 1.260 43.315 42.059 -0.008 0.000 0.000 232 L HN 2.178 nan 8.230 nan 0.000 0.000 233 S N 2.751 118.448 115.700 -0.005 0.000 2.707 233 S HA 0.891 5.361 4.470 -0.000 0.000 0.270 233 S C -0.770 173.915 174.600 0.142 0.000 1.031 233 S CA -0.039 58.194 58.200 0.056 0.000 0.866 233 S CB 0.716 63.936 63.200 0.033 0.000 1.114 233 S HN 2.175 nan 8.310 nan 0.000 0.465 234 G N -0.026 108.891 108.800 0.194 0.000 2.378 234 G HA2 0.650 4.610 3.960 -0.000 0.000 0.302 234 G HA3 0.650 4.610 3.960 -0.000 0.000 0.302 234 G C -0.219 174.778 174.900 0.162 0.000 1.669 234 G CA 0.045 45.324 45.100 0.298 0.000 0.920 234 G HN 1.867 nan 8.290 nan 0.000 0.697 235 A N 2.057 124.943 122.820 0.110 0.000 2.561 235 A HA 0.478 4.798 4.320 -0.000 0.000 0.234 235 A C 0.782 178.387 177.584 0.035 0.000 1.055 235 A CA 0.336 52.409 52.037 0.060 0.000 0.756 235 A CB 0.225 19.250 19.000 0.041 0.000 0.986 235 A HN 0.549 nan 8.150 nan 0.000 0.505 236 K N 1.225 121.651 120.400 0.043 0.000 2.368 236 K HA 0.310 4.630 4.320 -0.000 0.000 0.282 236 K C 0.483 177.102 176.600 0.031 0.000 1.035 236 K CA 0.377 56.690 56.287 0.043 0.000 0.973 236 K CB 1.023 33.560 32.500 0.062 0.000 0.957 236 K HN 0.789 nan 8.250 nan 0.000 0.474 237 A N 4.413 127.234 122.820 0.003 0.000 2.492 237 A HA 0.080 4.400 4.320 -0.000 0.000 0.254 237 A C -0.065 177.626 177.584 0.178 0.000 1.091 237 A CA 0.089 52.119 52.037 -0.012 0.000 0.768 237 A CB 0.139 19.004 19.000 -0.224 0.000 1.028 237 A HN 0.387 nan 8.150 nan 0.000 0.498 238 K N 2.960 123.506 120.400 0.242 0.000 2.334 238 K HA 0.164 4.484 4.320 -0.000 0.000 0.265 238 K C -0.911 175.919 176.600 0.383 0.000 1.039 238 K CA -0.272 56.175 56.287 0.267 0.000 0.920 238 K CB 0.982 33.569 32.500 0.146 0.000 1.160 238 K HN 0.704 nan 8.250 nan 0.000 0.451 239 Y N 2.532 122.982 120.300 0.250 0.000 2.497 239 Y HA -0.101 4.449 4.550 -0.000 0.000 0.334 239 Y C 1.557 177.502 175.900 0.075 0.000 1.199 239 Y CA 1.039 59.150 58.100 0.019 0.000 1.425 239 Y CB 0.480 38.913 38.460 -0.045 0.000 1.291 239 Y HN 0.729 nan 8.280 nan 0.000 0.562 240 H N 3.140 121.778 119.070 -0.719 0.000 2.176 240 H HA 0.348 4.904 4.556 -0.000 0.000 0.228 240 H C 0.414 175.451 175.328 -0.486 0.000 0.879 240 H CA 0.509 56.321 56.048 -0.393 0.000 1.027 240 H CB 0.844 30.454 29.762 -0.253 0.000 1.356 240 H HN 0.904 nan 8.280 nan 0.000 0.425 241 G N -0.013 108.193 108.800 -0.990 0.000 2.712 241 G HA2 0.306 4.266 3.960 -0.000 0.000 0.686 241 G HA3 0.306 4.266 3.960 -0.000 0.000 0.686 241 G C -0.124 174.374 174.900 -0.669 0.000 1.181 241 G CA -0.361 44.320 45.100 -0.698 0.000 0.762 241 G HN 1.022 nan 8.290 nan 0.000 0.641 242 G N 0.283 108.850 108.800 -0.389 0.000 2.327 242 G HA2 0.806 4.766 3.960 -0.000 0.000 0.291 242 G HA3 0.806 4.766 3.960 -0.000 0.000 0.291 242 G C -0.936 173.863 174.900 -0.167 0.000 1.290 242 G CA 0.720 45.652 45.100 -0.279 0.000 0.857 242 G HN 2.099 nan 8.290 nan 0.000 0.520 243 E N -1.130 119.010 120.200 -0.100 0.000 2.343 243 E HA 0.666 5.016 4.350 -0.000 0.000 0.278 243 E C -1.637 174.937 176.600 -0.042 0.000 0.910 243 E CA -1.008 55.346 56.400 -0.076 0.000 0.757 243 E CB 2.526 32.192 29.700 -0.057 0.000 1.218 243 E HN 0.514 nan 8.360 nan 0.000 0.435 244 I N 2.161 122.699 120.570 -0.052 0.000 2.447 244 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 244 I C -0.508 175.576 176.117 -0.054 0.000 1.023 244 I CA -0.815 60.467 61.300 -0.030 0.000 1.083 244 I CB 1.772 39.765 38.000 -0.012 0.000 1.245 244 I HN 0.365 nan 8.210 nan 0.000 0.434 245 R N 4.877 125.348 120.500 -0.048 0.000 2.343 245 R HA 0.336 4.676 4.340 -0.000 0.000 0.320 245 R C -0.541 175.726 176.300 -0.054 0.000 0.956 245 R CA -0.596 55.455 56.100 -0.082 0.000 0.836 245 R CB 1.998 32.228 30.300 -0.118 0.000 1.151 245 R HN 0.522 nan 8.270 nan 0.000 0.450 246 E N 3.423 123.583 120.200 -0.066 0.000 2.101 246 E HA 0.049 4.399 4.350 -0.000 0.000 0.260 246 E C -1.020 175.533 176.600 -0.078 0.000 0.897 246 E CA -0.764 55.599 56.400 -0.061 0.000 0.744 246 E CB 1.058 30.718 29.700 -0.065 0.000 1.140 246 E HN 0.303 nan 8.360 nan 0.000 0.419 247 Q N 3.392 123.157 119.800 -0.060 0.000 2.296 247 Q HA 0.104 4.444 4.340 -0.000 0.000 0.262 247 Q C -0.399 175.562 176.000 -0.065 0.000 0.981 247 Q CA 0.488 56.256 55.803 -0.058 0.000 0.905 247 Q CB 0.597 29.314 28.738 -0.036 0.000 1.186 247 Q HN 0.690 nan 8.270 nan 0.000 0.399 248 N N 2.174 120.829 118.700 -0.074 0.000 1.997 248 N HA 0.149 4.889 4.740 -0.000 0.000 0.225 248 N C 0.628 176.100 175.510 -0.064 0.000 1.383 248 N CA 0.225 53.228 53.050 -0.079 0.000 0.770 248 N CB 0.135 38.547 38.487 -0.124 0.000 1.178 248 N HN 0.729 nan 8.380 nan 0.000 0.515 249 G N 0.029 108.797 108.800 -0.054 0.000 2.196 249 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.268 249 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.268 249 G C -0.537 174.340 174.900 -0.038 0.000 0.975 249 G CA 0.590 45.664 45.100 -0.044 0.000 0.648 249 G HN 0.491 nan 8.290 nan 0.000 0.538 250 D N 0.482 120.857 120.400 -0.042 0.000 2.472 250 D HA 0.299 4.939 4.640 -0.000 0.000 0.237 250 D C 1.957 178.252 176.300 -0.008 0.000 1.141 250 D CA 0.713 54.699 54.000 -0.024 0.000 0.875 250 D CB 0.965 41.750 40.800 -0.025 0.000 1.192 250 D HN 0.405 nan 8.370 nan 0.000 0.450 251 S N 1.755 117.456 115.700 0.002 0.000 2.419 251 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 251 S C 1.045 175.658 174.600 0.021 0.000 1.019 251 S CA 0.640 58.843 58.200 0.005 0.000 0.982 251 S CB -0.068 63.139 63.200 0.011 0.000 0.789 251 S HN 0.389 nan 8.310 nan 0.000 0.490 252 L N 1.572 122.825 121.223 0.050 0.000 2.325 252 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 252 L C -0.734 176.204 176.870 0.114 0.000 1.023 252 L CA -0.927 53.963 54.840 0.084 0.000 0.811 252 L CB 1.901 44.040 42.059 0.133 0.000 1.249 252 L HN -0.031 nan 8.230 nan 0.000 0.431 253 V N 2.001 121.961 119.914 0.077 0.000 2.398 253 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 253 V C -0.233 175.900 176.094 0.066 0.000 1.026 253 V CA -0.494 61.842 62.300 0.061 0.000 0.868 253 V CB 1.322 33.140 31.823 -0.009 0.000 0.982 253 V HN 0.593 nan 8.190 nan 0.000 0.443 254 H N 3.286 122.309 119.070 -0.078 0.000 2.459 254 H HA 0.765 5.321 4.556 -0.000 0.000 0.332 254 H C -0.155 174.978 175.328 -0.325 0.000 1.094 254 H CA -0.294 55.665 56.048 -0.149 0.000 1.224 254 H CB 2.099 31.852 29.762 -0.015 0.000 1.449 254 H HN 0.776 nan 8.280 nan 0.000 0.484 255 A N 2.130 124.664 122.820 -0.477 0.000 2.549 255 A HA 0.726 5.046 4.320 -0.000 0.000 0.297 255 A C -1.412 175.774 177.584 -0.663 0.000 1.061 255 A CA -0.443 51.328 52.037 -0.445 0.000 0.690 255 A CB 1.725 20.576 19.000 -0.248 0.000 1.287 255 A HN 0.721 nan 8.150 nan 0.000 0.402 256 A N 0.733 123.244 122.820 -0.516 0.000 2.393 256 A HA 0.773 5.093 4.320 -0.000 0.000 0.306 256 A C -1.521 175.803 177.584 -0.433 0.000 1.050 256 A CA -0.423 51.322 52.037 -0.487 0.000 0.724 256 A CB 1.338 20.074 19.000 -0.440 0.000 1.248 256 A HN 1.853 nan 8.150 nan 0.000 0.424 257 L N 3.401 124.286 121.223 -0.563 0.000 2.376 257 L HA 0.800 5.140 4.340 -0.000 0.000 0.275 257 L C -0.564 176.123 176.870 -0.306 0.000 0.987 257 L CA -0.355 54.195 54.840 -0.483 0.000 0.828 257 L CB 1.841 43.499 42.059 -0.668 0.000 1.249 257 L HN 1.109 nan 8.230 nan 0.000 0.409 258 V N 1.828 121.698 119.914 -0.073 0.000 3.167 258 V HA 1.090 5.210 4.120 -0.000 0.000 0.310 258 V C -0.738 175.500 176.094 0.241 0.000 1.207 258 V CA -0.146 62.263 62.300 0.181 0.000 1.059 258 V CB 1.350 33.208 31.823 0.059 0.000 1.079 258 V HN 1.107 nan 8.190 nan 0.000 0.446 259 A N 0.296 123.319 122.820 0.339 0.000 2.527 259 A HA 0.782 5.102 4.320 -0.000 0.000 0.293 259 A C -0.549 176.993 177.584 -0.069 0.000 1.117 259 A CA -0.612 51.493 52.037 0.114 0.000 0.723 259 A CB 1.635 20.702 19.000 0.110 0.000 1.313 259 A HN 1.146 nan 8.150 nan 0.000 0.411 260 E N 0.365 120.223 120.200 -0.570 0.000 2.360 260 E HA 0.352 4.702 4.350 -0.000 0.000 0.269 260 E C 0.722 177.149 176.600 -0.288 0.000 1.022 260 E CA 0.429 56.470 56.400 -0.599 0.000 0.887 260 E CB 0.574 29.636 29.700 -1.064 0.000 0.990 260 E HN 0.723 nan 8.360 nan 0.000 0.426 261 S N 3.543 119.058 115.700 -0.308 0.000 3.064 261 S HA 0.685 5.155 4.470 -0.000 0.000 0.170 261 S C -0.006 174.388 174.600 -0.344 0.000 0.713 261 S CA -0.052 57.758 58.200 -0.651 0.000 0.891 261 S CB 0.308 62.677 63.200 -1.386 0.000 0.772 261 S HN 0.618 nan 8.310 nan 0.000 0.701 262 A N 0.187 122.822 122.820 -0.308 0.000 2.549 262 A HA 0.841 5.161 4.320 -0.000 0.000 0.297 262 A C -0.417 177.163 177.584 -0.007 0.000 1.061 262 A CA -0.476 51.535 52.037 -0.043 0.000 0.690 262 A CB 0.966 20.031 19.000 0.108 0.000 1.287 262 A HN 1.310 nan 8.150 nan 0.000 0.402 263 A N 1.260 124.106 122.820 0.044 0.000 2.462 263 A HA 0.506 4.826 4.320 -0.000 0.000 0.243 263 A C 0.409 178.017 177.584 0.041 0.000 1.076 263 A CA -0.083 51.991 52.037 0.062 0.000 0.773 263 A CB -0.135 18.911 19.000 0.076 0.000 1.010 263 A HN 1.113 nan 8.150 nan 0.000 0.493 264 I N 1.418 122.008 120.570 0.034 0.000 2.752 264 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 264 I C 1.475 177.605 176.117 0.021 0.000 1.188 264 I CA 1.963 63.272 61.300 0.015 0.000 1.427 264 I CB 0.617 38.623 38.000 0.010 0.000 1.365 264 I HN 1.138 nan 8.210 nan 0.000 0.585 265 G N 3.868 112.670 108.800 0.004 0.000 2.258 265 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.233 265 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.233 265 G C 0.294 175.194 174.900 0.000 0.000 1.006 265 G CA 0.211 45.309 45.100 -0.003 0.000 0.620 265 G HN 0.942 nan 8.290 nan 0.000 0.511 266 S N 0.442 116.152 115.700 0.017 0.000 2.632 266 S HA 0.767 5.237 4.470 -0.000 0.000 0.267 266 S C 1.649 176.260 174.600 0.017 0.000 1.276 266 S CA 0.472 58.685 58.200 0.022 0.000 0.998 266 S CB 1.794 65.019 63.200 0.042 0.000 0.953 266 S HN 1.675 nan 8.310 nan 0.000 0.547 267 A N 0.420 123.246 122.820 0.011 0.000 1.930 267 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 267 A C 2.062 179.654 177.584 0.013 0.000 1.175 267 A CA 1.483 53.519 52.037 -0.002 0.000 0.627 267 A CB -1.105 17.888 19.000 -0.012 0.000 0.815 267 A HN 1.003 nan 8.150 nan 0.000 0.443 268 E N -0.036 120.191 120.200 0.045 0.000 2.204 268 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 268 E C 2.029 178.750 176.600 0.202 0.000 0.990 268 E CA 0.840 57.292 56.400 0.087 0.000 0.821 268 E CB -0.213 29.575 29.700 0.146 0.000 0.750 268 E HN 0.574 nan 8.360 nan 0.000 0.477 269 A N 1.348 124.266 122.820 0.163 0.000 1.933 269 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 269 A C 1.868 179.531 177.584 0.131 0.000 1.175 269 A CA 1.490 53.630 52.037 0.170 0.000 0.628 269 A CB -0.471 18.569 19.000 0.067 0.000 0.814 269 A HN 0.271 nan 8.150 nan 0.000 0.444 270 N N 0.415 119.143 118.700 0.046 0.000 2.309 270 N HA -0.063 4.677 4.740 -0.000 0.000 0.182 270 N C 1.822 177.322 175.510 -0.017 0.000 1.018 270 N CA 1.319 54.369 53.050 -0.000 0.000 0.876 270 N CB -0.447 38.016 38.487 -0.039 0.000 0.972 270 N HN 0.495 nan 8.380 nan 0.000 0.434 271 A N 0.507 123.293 122.820 -0.057 0.000 1.898 271 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 271 A C 1.907 179.349 177.584 -0.238 0.000 1.181 271 A CA 0.821 52.750 52.037 -0.180 0.000 0.620 271 A CB -0.758 18.067 19.000 -0.291 0.000 0.819 271 A HN 0.128 nan 8.150 nan 0.000 0.442 272 F N 0.763 120.628 119.950 -0.143 0.000 2.186 272 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 272 F C 2.789 178.563 175.800 -0.044 0.000 1.090 272 F CA 1.545 59.399 58.000 -0.244 0.000 1.307 272 F CB -0.361 38.510 39.000 -0.214 0.000 1.019 272 F HN 0.129 nan 8.300 nan 0.000 0.489 273 S N -0.317 115.499 115.700 0.194 0.000 2.368 273 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 273 S C 2.301 177.054 174.600 0.255 0.000 1.030 273 S CA 1.205 59.538 58.200 0.221 0.000 0.999 273 S CB -0.489 62.783 63.200 0.119 0.000 0.844 273 S HN 0.131 nan 8.310 nan 0.000 0.459 274 V N 1.812 121.792 119.914 0.110 0.000 2.358 274 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 274 V C 2.228 178.395 176.094 0.121 0.000 1.047 274 V CA 1.334 63.688 62.300 0.091 0.000 1.035 274 V CB -0.622 31.199 31.823 -0.003 0.000 0.658 274 V HN 0.367 nan 8.190 nan 0.000 0.452 275 L N 0.373 121.615 121.223 0.032 0.000 2.042 275 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 275 L C 2.521 179.529 176.870 0.229 0.000 1.076 275 L CA 2.466 57.319 54.840 0.022 0.000 0.749 275 L CB -0.904 41.007 42.059 -0.248 0.000 0.893 275 L HN 0.463 nan 8.230 nan 0.000 0.432 276 Q N -1.289 118.735 119.800 0.373 0.000 2.112 276 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 276 Q C 1.982 178.032 176.000 0.083 0.000 0.987 276 Q CA 2.354 58.368 55.803 0.352 0.000 0.858 276 Q CB -0.217 28.696 28.738 0.292 0.000 0.905 276 Q HN 0.715 nan 8.270 nan 0.000 0.420 277 H N -1.194 117.966 119.070 0.149 0.000 2.529 277 H HA 0.028 4.584 4.556 -0.000 0.000 0.277 277 H C 1.827 177.210 175.328 0.092 0.000 0.999 277 H CA 0.900 57.018 56.048 0.117 0.000 1.256 277 H CB 0.391 30.212 29.762 0.098 0.000 1.402 277 H HN 0.064 nan 8.280 nan 0.000 0.566 278 V N 0.312 120.328 119.914 0.171 0.000 2.323 278 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 278 V C 2.171 178.324 176.094 0.099 0.000 1.041 278 V CA 1.423 63.788 62.300 0.109 0.000 1.025 278 V CB -0.352 31.517 31.823 0.077 0.000 0.656 278 V HN 0.363 nan 8.190 nan 0.000 0.451 279 L N -0.019 121.275 121.223 0.119 0.000 2.109 279 L HA 0.259 4.599 4.340 -0.000 0.000 0.207 279 L C 1.069 177.992 176.870 0.090 0.000 1.086 279 L CA 1.157 56.060 54.840 0.105 0.000 0.760 279 L CB -0.463 41.679 42.059 0.140 0.000 0.910 279 L HN 0.548 nan 8.230 nan 0.000 0.437 280 G N -0.676 108.167 108.800 0.071 0.000 3.313 280 G HA2 0.212 4.172 3.960 -0.000 0.000 0.659 280 G HA3 0.212 4.172 3.960 -0.000 0.000 0.659 280 G C -0.474 174.426 174.900 0.001 0.000 1.286 280 G CA -0.456 44.681 45.100 0.061 0.000 1.077 280 G HN 0.180 nan 8.290 nan 0.000 0.551 281 A N 0.954 123.729 122.820 -0.075 0.000 2.676 281 A HA 0.958 5.278 4.320 -0.000 0.000 0.297 281 A C 1.139 178.668 177.584 -0.092 0.000 1.132 281 A CA 0.852 52.795 52.037 -0.157 0.000 0.972 281 A CB -0.010 18.694 19.000 -0.493 0.000 1.197 281 A HN 2.818 nan 8.150 nan 0.000 0.524 282 G N 0.492 109.267 108.800 -0.040 0.000 2.402 282 G HA2 0.251 4.211 3.960 -0.000 0.000 0.666 282 G HA3 0.251 4.211 3.960 -0.000 0.000 0.666 282 G C -3.286 171.558 174.900 -0.094 0.000 1.402 282 G CA -0.500 44.558 45.100 -0.071 0.000 0.920 282 G HN 0.261 nan 8.290 nan 0.000 0.651 283 P HA 0.325 nan 4.420 nan 0.000 0.271 283 P C -0.141 177.056 177.300 -0.171 0.000 1.216 283 P CA -0.100 62.937 63.100 -0.104 0.000 0.776 283 P CB 0.906 32.547 31.700 -0.100 0.000 0.881 284 H N -0.083 118.959 119.070 -0.047 0.000 2.885 284 H HA 0.228 4.784 4.556 -0.000 0.000 0.260 284 H C 0.007 175.318 175.328 -0.028 0.000 0.985 284 H CA 0.298 56.332 56.048 -0.023 0.000 1.210 284 H CB 1.310 31.065 29.762 -0.012 0.000 1.466 284 H HN 0.116 nan 8.280 nan 0.000 0.493 285 V N 1.969 121.918 119.914 0.058 0.000 2.588 285 V HA 0.122 4.242 4.120 -0.000 0.000 0.304 285 V C 0.139 176.223 176.094 -0.017 0.000 1.042 285 V CA -1.161 61.150 62.300 0.018 0.000 0.877 285 V CB 2.908 34.738 31.823 0.011 0.000 0.996 285 V HN 0.069 nan 8.190 nan 0.000 0.425 286 K N 4.092 124.483 120.400 -0.015 0.000 2.436 286 K HA 0.161 4.481 4.320 -0.000 0.000 0.282 286 K C 0.754 177.338 176.600 -0.027 0.000 1.044 286 K CA 0.246 56.519 56.287 -0.023 0.000 1.028 286 K CB -0.007 32.484 32.500 -0.015 0.000 0.919 286 K HN 0.664 nan 8.250 nan 0.000 0.474 287 R N 0.927 121.404 120.500 -0.038 0.000 4.000 287 R HA -0.180 4.160 4.340 -0.000 0.000 0.362 287 R C 0.588 176.859 176.300 -0.048 0.000 1.183 287 R CA 0.643 56.720 56.100 -0.039 0.000 1.011 287 R CB -2.204 28.082 30.300 -0.023 0.000 1.501 287 R HN 0.876 nan 8.270 nan 0.000 0.553 288 G N 0.172 108.936 108.800 -0.060 0.000 2.634 288 G HA2 0.213 4.173 3.960 -0.000 0.000 0.255 288 G HA3 0.213 4.173 3.960 -0.000 0.000 0.255 288 G C 0.765 175.598 174.900 -0.111 0.000 1.205 288 G CA 0.131 45.191 45.100 -0.065 0.000 0.884 288 G HN 0.265 nan 8.290 nan 0.000 0.549 289 S N -0.724 114.922 115.700 -0.091 0.000 2.597 289 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 289 S C 0.767 175.248 174.600 -0.198 0.000 0.955 289 S CA 0.093 58.234 58.200 -0.098 0.000 0.933 289 S CB -0.298 62.904 63.200 0.003 0.000 0.788 289 S HN 0.654 nan 8.310 nan 0.000 0.488 290 N N 1.189 119.742 118.700 -0.244 0.000 2.725 290 N HA -0.221 4.519 4.740 -0.000 0.000 0.251 290 N C 1.050 176.511 175.510 -0.081 0.000 1.031 290 N CA 0.735 53.641 53.050 -0.240 0.000 0.720 290 N CB -1.582 36.554 38.487 -0.586 0.000 0.930 290 N HN 0.665 nan 8.380 nan 0.000 0.543 291 A N 0.548 123.345 122.820 -0.038 0.000 1.915 291 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 291 A C 2.164 179.755 177.584 0.012 0.000 1.198 291 A CA 2.604 54.643 52.037 0.004 0.000 0.647 291 A CB -0.689 18.308 19.000 -0.005 0.000 0.825 291 A HN 0.691 nan 8.150 nan 0.000 0.456 292 T N -3.052 111.497 114.554 -0.008 0.000 3.188 292 T HA 0.295 4.645 4.350 -0.000 0.000 0.250 292 T C 0.495 175.210 174.700 0.024 0.000 1.077 292 T CA 0.619 62.718 62.100 -0.001 0.000 0.967 292 T CB -0.387 68.461 68.868 -0.033 0.000 1.006 292 T HN 0.319 nan 8.240 nan 0.000 0.552 293 S N 0.737 116.464 115.700 0.046 0.000 2.404 293 S HA 0.396 4.866 4.470 -0.000 0.000 0.309 293 S C 1.414 176.082 174.600 0.113 0.000 1.076 293 S CA -0.387 57.864 58.200 0.084 0.000 1.095 293 S CB 0.912 64.167 63.200 0.092 0.000 0.972 293 S HN 0.400 nan 8.310 nan 0.000 0.484 294 S N 4.672 120.422 115.700 0.083 0.000 2.365 294 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 294 S C 1.739 176.374 174.600 0.059 0.000 1.039 294 S CA 1.585 59.823 58.200 0.064 0.000 1.033 294 S CB -0.518 62.712 63.200 0.050 0.000 0.887 294 S HN 0.811 nan 8.310 nan 0.000 0.447 295 L N -0.725 120.537 121.223 0.065 0.000 2.056 295 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 295 L C 2.380 179.286 176.870 0.060 0.000 1.078 295 L CA 1.701 56.547 54.840 0.011 0.000 0.749 295 L CB -0.625 41.427 42.059 -0.012 0.000 0.901 295 L HN 0.412 nan 8.230 nan 0.000 0.433 296 Y N 0.603 120.938 120.300 0.059 0.000 2.181 296 Y HA -0.274 4.276 4.550 -0.000 0.000 0.288 296 Y C 2.853 178.836 175.900 0.138 0.000 1.146 296 Y CA 1.531 59.729 58.100 0.163 0.000 1.164 296 Y CB 0.049 38.592 38.460 0.140 0.000 0.982 296 Y HN 0.165 nan 8.280 nan 0.000 0.515 297 Q N -0.211 119.750 119.800 0.268 0.000 2.119 297 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 297 Q C 2.529 178.548 176.000 0.031 0.000 0.972 297 Q CA 1.318 57.215 55.803 0.157 0.000 0.847 297 Q CB -0.860 27.947 28.738 0.116 0.000 0.903 297 Q HN 0.592 nan 8.270 nan 0.000 0.433 298 A N 0.404 123.217 122.820 -0.012 0.000 1.877 298 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 298 A C 2.463 179.950 177.584 -0.161 0.000 1.186 298 A CA 1.682 53.675 52.037 -0.074 0.000 0.620 298 A CB -0.777 18.174 19.000 -0.082 0.000 0.822 298 A HN 0.202 nan 8.150 nan 0.000 0.443 299 V N -0.054 119.704 119.914 -0.261 0.000 2.295 299 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 299 V C 3.082 178.854 176.094 -0.536 0.000 1.049 299 V CA 2.005 63.995 62.300 -0.516 0.000 1.024 299 V CB -1.332 29.965 31.823 -0.877 0.000 0.648 299 V HN 0.625 nan 8.190 nan 0.000 0.447 300 A N -0.165 122.470 122.820 -0.309 0.000 1.940 300 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 300 A C 2.105 179.560 177.584 -0.215 0.000 1.176 300 A CA 1.932 53.903 52.037 -0.109 0.000 0.631 300 A CB -0.520 18.543 19.000 0.105 0.000 0.814 300 A HN 0.584 nan 8.150 nan 0.000 0.446 301 K N -0.856 119.459 120.400 -0.142 0.000 2.616 301 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 301 K C 1.117 177.657 176.600 -0.100 0.000 1.031 301 K CA 0.493 56.721 56.287 -0.097 0.000 1.004 301 K CB -0.130 32.344 32.500 -0.044 0.000 0.810 301 K HN 0.512 nan 8.250 nan 0.000 0.497 302 G N -0.379 108.310 108.800 -0.185 0.000 3.155 302 G HA2 0.110 4.070 3.960 -0.000 0.000 0.193 302 G HA3 0.110 4.070 3.960 -0.000 0.000 0.193 302 G C -0.484 174.360 174.900 -0.094 0.000 1.215 302 G CA -0.208 44.839 45.100 -0.088 0.000 0.917 302 G HN 0.033 nan 8.290 nan 0.000 0.756 303 V N 1.546 121.293 119.914 -0.278 0.000 2.525 303 V HA 0.404 4.524 4.120 -0.000 0.000 0.299 303 V C -0.287 175.689 176.094 -0.197 0.000 1.034 303 V CA -0.631 61.568 62.300 -0.169 0.000 0.863 303 V CB 1.393 33.020 31.823 -0.327 0.000 0.999 303 V HN 0.350 nan 8.190 nan 0.000 0.423 304 H N 1.777 120.875 119.070 0.046 0.000 2.549 304 H HA 0.338 4.894 4.556 -0.000 0.000 0.279 304 H C 0.470 175.855 175.328 0.095 0.000 1.018 304 H CA -0.191 55.906 56.048 0.081 0.000 1.175 304 H CB 0.339 30.129 29.762 0.047 0.000 1.485 304 H HN 0.456 nan 8.280 nan 0.000 0.543 305 Q N 0.846 120.761 119.800 0.192 0.000 2.205 305 Q HA 0.318 4.658 4.340 -0.000 0.000 0.249 305 Q C -2.355 173.759 176.000 0.190 0.000 0.948 305 Q CA -2.388 53.507 55.803 0.153 0.000 0.895 305 Q CB 0.615 29.424 28.738 0.118 0.000 1.249 305 Q HN 0.118 nan 8.270 nan 0.000 0.458 306 P HA 0.105 nan 4.420 nan 0.000 0.266 306 P C -0.907 176.462 177.300 0.116 0.000 1.195 306 P CA 0.266 63.393 63.100 0.044 0.000 0.768 306 P CB 0.242 31.953 31.700 0.019 0.000 0.838 307 F N -0.526 119.399 119.950 -0.042 0.000 2.858 307 F HA 0.745 5.272 4.527 -0.000 0.000 0.319 307 F C -2.069 173.704 175.800 -0.044 0.000 1.166 307 F CA -1.074 56.885 58.000 -0.067 0.000 0.899 307 F CB 1.192 40.116 39.000 -0.127 0.000 1.332 307 F HN 0.165 nan 8.300 nan 0.000 0.461 308 D N 0.434 120.924 120.400 0.150 0.000 2.736 308 D HA 0.647 5.287 4.640 -0.000 0.000 0.223 308 D C -2.019 174.486 176.300 0.341 0.000 1.231 308 D CA -0.356 53.736 54.000 0.153 0.000 0.818 308 D CB 2.715 43.575 40.800 0.101 0.000 1.587 308 D HN 0.906 nan 8.370 nan 0.000 0.463 309 V N 1.549 121.685 119.914 0.371 0.000 3.048 309 V HA 0.853 4.973 4.120 -0.000 0.000 0.303 309 V C -1.636 174.631 176.094 0.289 0.000 1.214 309 V CA -0.098 62.386 62.300 0.307 0.000 0.984 309 V CB 1.940 33.882 31.823 0.197 0.000 1.054 309 V HN 0.647 nan 8.190 nan 0.000 0.430 310 S N 4.361 120.219 115.700 0.263 0.000 2.550 310 S HA 0.882 5.352 4.470 -0.000 0.000 0.270 310 S C -0.441 174.276 174.600 0.196 0.000 1.145 310 S CA 0.066 58.382 58.200 0.193 0.000 0.852 310 S CB 1.811 65.094 63.200 0.138 0.000 1.119 310 S HN 2.065 nan 8.310 nan 0.000 0.465 311 A N 2.355 125.233 122.820 0.095 0.000 2.371 311 A HA 0.699 5.019 4.320 -0.000 0.000 0.257 311 A C -0.786 176.796 177.584 -0.003 0.000 1.089 311 A CA -0.286 51.753 52.037 0.003 0.000 0.794 311 A CB -0.038 18.952 19.000 -0.017 0.000 1.029 311 A HN 1.021 nan 8.150 nan 0.000 0.488 312 F N 1.867 121.624 119.950 -0.323 0.000 2.507 312 F HA 0.604 5.131 4.527 -0.000 0.000 0.325 312 F C -0.499 175.128 175.800 -0.289 0.000 1.116 312 F CA -0.687 57.179 58.000 -0.223 0.000 0.930 312 F CB 1.749 40.670 39.000 -0.131 0.000 1.146 312 F HN 0.564 nan 8.300 nan 0.000 0.447 313 N N 4.231 122.523 118.700 -0.681 0.000 2.519 313 N HA 0.664 5.404 4.740 -0.000 0.000 0.286 313 N C -1.881 173.279 175.510 -0.584 0.000 1.079 313 N CA -0.326 52.500 53.050 -0.373 0.000 0.878 313 N CB 1.875 40.355 38.487 -0.012 0.000 1.375 313 N HN 0.770 nan 8.380 nan 0.000 0.514 314 A N 2.206 124.757 122.820 -0.449 0.000 2.340 314 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 314 A C -0.781 176.536 177.584 -0.445 0.000 1.195 314 A CA -0.611 51.167 52.037 -0.433 0.000 0.769 314 A CB 0.951 19.878 19.000 -0.122 0.000 1.163 314 A HN 0.436 nan 8.150 nan 0.000 0.472 315 S N 1.920 117.302 115.700 -0.530 0.000 2.473 315 S HA 0.814 5.284 4.470 -0.000 0.000 0.307 315 S C -1.129 173.153 174.600 -0.530 0.000 1.094 315 S CA -0.253 57.717 58.200 -0.383 0.000 1.070 315 S CB 0.318 63.417 63.200 -0.168 0.000 1.019 315 S HN 0.491 nan 8.310 nan 0.000 0.480 316 Y N 1.029 121.365 120.300 0.060 0.000 2.686 316 Y HA 0.368 4.918 4.550 -0.000 0.000 0.330 316 Y C 1.896 177.821 175.900 0.042 0.000 1.082 316 Y CA -0.535 57.594 58.100 0.048 0.000 1.158 316 Y CB 0.674 39.155 38.460 0.035 0.000 1.333 316 Y HN 0.678 nan 8.280 nan 0.000 0.519 317 S N -0.347 115.494 115.700 0.236 0.000 2.382 317 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 317 S C 0.636 175.309 174.600 0.122 0.000 1.027 317 S CA 1.899 60.185 58.200 0.143 0.000 0.991 317 S CB -0.369 62.908 63.200 0.129 0.000 0.823 317 S HN 0.793 nan 8.310 nan 0.000 0.469 318 D N -0.464 120.015 120.400 0.130 0.000 2.540 318 D HA 0.462 5.102 4.640 -0.000 0.000 0.229 318 D C 0.181 176.569 176.300 0.146 0.000 1.250 318 D CA -0.104 53.964 54.000 0.113 0.000 0.817 318 D CB 0.312 41.163 40.800 0.085 0.000 1.060 318 D HN 0.334 nan 8.370 nan 0.000 0.508 319 S N -1.853 113.965 115.700 0.196 0.000 2.669 319 S HA 0.689 5.159 4.470 -0.000 0.000 0.266 319 S C -1.458 173.305 174.600 0.272 0.000 1.149 319 S CA -0.210 58.140 58.200 0.251 0.000 0.842 319 S CB 1.038 64.473 63.200 0.391 0.000 1.160 319 S HN 0.574 nan 8.310 nan 0.000 0.487 320 G N 0.321 109.273 108.800 0.252 0.000 2.601 320 G HA2 0.609 4.569 3.960 -0.000 0.000 0.291 320 G HA3 0.609 4.569 3.960 -0.000 0.000 0.291 320 G C -2.366 172.612 174.900 0.131 0.000 1.456 320 G CA -0.598 44.584 45.100 0.138 0.000 0.804 320 G HN 0.759 nan 8.290 nan 0.000 0.499 321 L N 0.440 121.734 121.223 0.118 0.000 2.410 321 L HA 0.724 5.064 4.340 -0.000 0.000 0.270 321 L C -1.361 175.617 176.870 0.180 0.000 0.983 321 L CA -0.773 54.170 54.840 0.171 0.000 0.822 321 L CB 2.303 44.542 42.059 0.300 0.000 1.285 321 L HN 0.560 nan 8.230 nan 0.000 0.409 322 F N 1.729 121.693 119.950 0.023 0.000 2.578 322 F HA 0.878 5.405 4.527 -0.000 0.000 0.311 322 F C 0.060 175.905 175.800 0.075 0.000 1.094 322 F CA 0.090 58.113 58.000 0.039 0.000 0.923 322 F CB 2.220 41.155 39.000 -0.108 0.000 1.230 322 F HN 0.529 nan 8.300 nan 0.000 0.450 323 G N 3.058 111.272 108.800 -0.977 0.000 2.566 323 G HA2 0.380 4.340 3.960 -0.000 0.000 0.138 323 G HA3 0.380 4.340 3.960 -0.000 0.000 0.138 323 G C -1.809 172.708 174.900 -0.638 0.000 1.133 323 G CA -0.023 44.543 45.100 -0.889 0.000 1.037 323 G HN 1.093 nan 8.290 nan 0.000 0.491 324 F N -1.751 118.052 119.950 -0.245 0.000 2.685 324 F HA 0.877 5.404 4.527 -0.000 0.000 0.315 324 F C -1.562 174.256 175.800 0.030 0.000 1.126 324 F CA -1.963 55.985 58.000 -0.087 0.000 0.950 324 F CB 1.724 40.686 39.000 -0.062 0.000 1.360 324 F HN 0.649 nan 8.300 nan 0.000 0.469 325 Y N 1.184 121.610 120.300 0.209 0.000 2.391 325 Y HA 0.657 5.207 4.550 -0.000 0.000 0.341 325 Y C -0.588 175.425 175.900 0.188 0.000 0.965 325 Y CA -0.564 57.596 58.100 0.100 0.000 1.067 325 Y CB 1.970 40.466 38.460 0.060 0.000 1.199 325 Y HN 0.983 nan 8.280 nan 0.000 0.450 326 T N 4.156 118.776 114.554 0.109 0.000 2.924 326 T HA 0.807 5.157 4.350 -0.000 0.000 0.291 326 T C -1.013 173.679 174.700 -0.013 0.000 1.045 326 T CA -0.769 61.412 62.100 0.135 0.000 1.015 326 T CB 1.668 70.597 68.868 0.101 0.000 1.103 326 T HN 0.518 nan 8.240 nan 0.000 0.496 327 I N 2.338 122.927 120.570 0.031 0.000 2.512 327 I HA 0.545 4.715 4.170 -0.000 0.000 0.287 327 I C -0.314 175.814 176.117 0.018 0.000 1.069 327 I CA -0.631 60.600 61.300 -0.115 0.000 1.056 327 I CB 2.059 39.929 38.000 -0.217 0.000 1.229 327 I HN 1.044 nan 8.210 nan 0.000 0.429 328 S N 4.081 119.787 115.700 0.011 0.000 2.625 328 S HA 0.513 4.983 4.470 -0.000 0.000 0.271 328 S C -1.065 173.561 174.600 0.044 0.000 1.161 328 S CA -1.058 57.181 58.200 0.065 0.000 0.820 328 S CB 1.848 65.081 63.200 0.056 0.000 1.137 328 S HN 0.566 nan 8.310 nan 0.000 0.470 329 Q N 0.323 120.154 119.800 0.052 0.000 2.392 329 Q HA 0.441 4.781 4.340 -0.000 0.000 0.262 329 Q C 1.611 177.619 176.000 0.014 0.000 1.003 329 Q CA 0.134 55.957 55.803 0.033 0.000 0.888 329 Q CB 0.719 29.479 28.738 0.037 0.000 1.260 329 Q HN 0.888 nan 8.270 nan 0.000 0.435 330 A N 2.399 125.214 122.820 -0.009 0.000 1.903 330 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 330 A C 2.055 179.607 177.584 -0.053 0.000 1.191 330 A CA 2.285 54.298 52.037 -0.041 0.000 0.638 330 A CB -1.012 17.943 19.000 -0.075 0.000 0.823 330 A HN 0.879 nan 8.150 nan 0.000 0.451 331 A N -1.254 121.531 122.820 -0.057 0.000 2.015 331 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 331 A C 2.168 179.837 177.584 0.140 0.000 1.163 331 A CA 1.832 53.868 52.037 -0.001 0.000 0.646 331 A CB -0.456 18.547 19.000 0.005 0.000 0.806 331 A HN 0.451 nan 8.150 nan 0.000 0.448 332 S N -0.716 115.026 115.700 0.069 0.000 2.556 332 S HA 0.371 4.841 4.470 -0.000 0.000 0.216 332 S C 1.916 176.529 174.600 0.022 0.000 0.970 332 S CA 0.376 58.605 58.200 0.049 0.000 0.912 332 S CB 0.090 63.309 63.200 0.032 0.000 0.790 332 S HN 0.731 nan 8.310 nan 0.000 0.504 333 A N 2.080 124.919 122.820 0.031 0.000 1.873 333 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 333 A C 2.290 179.873 177.584 -0.002 0.000 1.193 333 A CA 2.003 54.043 52.037 0.005 0.000 0.629 333 A CB -1.495 17.505 19.000 -0.001 0.000 0.826 333 A HN 0.522 nan 8.150 nan 0.000 0.447 334 G N -0.555 108.256 108.800 0.018 0.000 2.422 334 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 334 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 334 G C 1.143 176.035 174.900 -0.012 0.000 1.146 334 G CA 1.243 46.343 45.100 0.001 0.000 0.769 334 G HN 0.507 nan 8.290 nan 0.000 0.547 335 D N 0.284 120.669 120.400 -0.024 0.000 2.117 335 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 335 D C 2.797 179.034 176.300 -0.106 0.000 0.982 335 D CA 0.708 54.676 54.000 -0.053 0.000 0.828 335 D CB -0.422 40.348 40.800 -0.051 0.000 0.967 335 D HN 0.217 nan 8.370 nan 0.000 0.464 336 V N 1.445 121.278 119.914 -0.134 0.000 2.295 336 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 336 V C 2.574 178.578 176.094 -0.149 0.000 1.049 336 V CA 1.133 63.297 62.300 -0.227 0.000 1.024 336 V CB -0.373 31.323 31.823 -0.211 0.000 0.648 336 V HN 0.152 nan 8.190 nan 0.000 0.447 337 I N -0.421 120.129 120.570 -0.033 0.000 2.226 337 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 337 I C 2.538 178.718 176.117 0.105 0.000 1.100 337 I CA 1.649 63.006 61.300 0.095 0.000 1.374 337 I CB -0.392 37.675 38.000 0.112 0.000 1.057 337 I HN 0.263 nan 8.210 nan 0.000 0.413 338 K N 0.769 121.204 120.400 0.059 0.000 2.097 338 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 338 K C 2.263 178.888 176.600 0.042 0.000 1.050 338 K CA 1.323 57.670 56.287 0.100 0.000 0.938 338 K CB -0.203 32.333 32.500 0.059 0.000 0.718 338 K HN 0.295 nan 8.250 nan 0.000 0.442 339 A N 1.639 124.422 122.820 -0.062 0.000 1.898 339 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 339 A C 2.391 179.875 177.584 -0.166 0.000 1.181 339 A CA 1.730 53.696 52.037 -0.119 0.000 0.620 339 A CB -0.662 18.223 19.000 -0.191 0.000 0.819 339 A HN 0.307 nan 8.150 nan 0.000 0.442 340 A N -1.389 121.264 122.820 -0.279 0.000 1.877 340 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 340 A C 2.182 179.526 177.584 -0.399 0.000 1.186 340 A CA 1.789 53.505 52.037 -0.535 0.000 0.620 340 A CB -0.907 17.445 19.000 -1.079 0.000 0.822 340 A HN 0.660 nan 8.150 nan 0.000 0.443 341 Y N 1.626 121.767 120.300 -0.265 0.000 2.181 341 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 341 Y C 2.174 178.137 175.900 0.105 0.000 1.146 341 Y CA 1.871 60.064 58.100 0.155 0.000 1.164 341 Y CB -0.389 38.263 38.460 0.321 0.000 0.982 341 Y HN 0.346 nan 8.280 nan 0.000 0.515 342 N N 0.186 118.880 118.700 -0.010 0.000 2.223 342 N HA -0.192 4.547 4.740 -0.000 0.000 0.185 342 N C 1.801 177.258 175.510 -0.089 0.000 1.016 342 N CA 1.412 54.406 53.050 -0.094 0.000 0.863 342 N CB -0.523 37.938 38.487 -0.042 0.000 0.983 342 N HN 0.436 nan 8.380 nan 0.000 0.429 343 Q N 0.994 120.749 119.800 -0.075 0.000 2.124 343 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 343 Q C 1.733 177.720 176.000 -0.021 0.000 0.977 343 Q CA 1.034 56.804 55.803 -0.055 0.000 0.850 343 Q CB -0.197 28.497 28.738 -0.073 0.000 0.901 343 Q HN 0.150 nan 8.270 nan 0.000 0.429 344 V N 0.644 120.565 119.914 0.010 0.000 2.427 344 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 344 V C 2.106 178.230 176.094 0.049 0.000 1.051 344 V CA 1.987 64.350 62.300 0.106 0.000 1.048 344 V CB -0.508 31.510 31.823 0.325 0.000 0.666 344 V HN 0.341 nan 8.190 nan 0.000 0.456 345 K N 0.650 121.003 120.400 -0.079 0.000 2.097 345 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 345 K C 2.307 178.877 176.600 -0.050 0.000 1.049 345 K CA 1.957 58.178 56.287 -0.110 0.000 0.933 345 K CB -0.501 31.874 32.500 -0.208 0.000 0.717 345 K HN 0.726 nan 8.250 nan 0.000 0.442 346 T N -0.025 114.504 114.554 -0.041 0.000 2.867 346 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 346 T C 1.884 176.578 174.700 -0.012 0.000 1.057 346 T CA 0.687 62.772 62.100 -0.026 0.000 1.136 346 T CB -0.148 68.706 68.868 -0.024 0.000 0.874 346 T HN -0.058 nan 8.240 nan 0.000 0.466 347 I N 2.536 123.107 120.570 0.002 0.000 2.252 347 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 347 I C 3.118 179.234 176.117 -0.000 0.000 1.102 347 I CA 1.221 62.525 61.300 0.006 0.000 1.385 347 I CB -1.779 36.235 38.000 0.024 0.000 1.064 347 I HN 0.394 nan 8.210 nan 0.000 0.414 348 A N -0.163 122.663 122.820 0.011 0.000 2.121 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 348 A C 2.175 179.754 177.584 -0.008 0.000 1.154 348 A CA 1.104 53.145 52.037 0.007 0.000 0.679 348 A CB -0.573 18.445 19.000 0.031 0.000 0.795 348 A HN 0.487 nan 8.150 nan 0.000 0.458 349 Q N -2.048 117.745 119.800 -0.012 0.000 2.451 349 Q HA 0.248 4.588 4.340 -0.000 0.000 0.206 349 Q C 1.241 177.232 176.000 -0.015 0.000 0.947 349 Q CA 0.640 56.434 55.803 -0.015 0.000 0.937 349 Q CB 0.148 28.875 28.738 -0.018 0.000 1.025 349 Q HN 0.840 nan 8.270 nan 0.000 0.511 350 G N 0.344 109.135 108.800 -0.016 0.000 2.218 350 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 350 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 350 G C -0.189 174.702 174.900 -0.015 0.000 0.994 350 G CA -0.360 44.730 45.100 -0.017 0.000 0.637 350 G HN 0.252 nan 8.290 nan 0.000 0.505 351 N N 0.854 119.547 118.700 -0.012 0.000 2.434 351 N HA 0.409 5.149 4.740 -0.000 0.000 0.273 351 N C -0.735 174.770 175.510 -0.008 0.000 1.210 351 N CA 0.533 53.577 53.050 -0.010 0.000 0.992 351 N CB 1.269 39.751 38.487 -0.009 0.000 1.355 351 N HN 0.496 nan 8.380 nan 0.000 0.495 352 L N 1.088 122.305 121.223 -0.010 0.000 2.528 352 L HA 0.303 4.643 4.340 -0.000 0.000 0.267 352 L C -0.487 176.378 176.870 -0.009 0.000 0.961 352 L CA -0.421 54.414 54.840 -0.008 0.000 0.866 352 L CB 1.718 43.769 42.059 -0.014 0.000 1.248 352 L HN 0.135 nan 8.230 nan 0.000 0.404 353 S N 3.462 119.159 115.700 -0.005 0.000 2.576 353 S HA 0.262 4.732 4.470 -0.000 0.000 0.276 353 S C 1.002 175.597 174.600 -0.008 0.000 1.339 353 S CA -0.543 57.653 58.200 -0.006 0.000 1.039 353 S CB 0.819 64.017 63.200 -0.003 0.000 0.902 353 S HN 0.732 nan 8.310 nan 0.000 0.516 354 N N 2.355 121.049 118.700 -0.010 0.000 2.216 354 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 354 N C -0.993 174.511 175.510 -0.010 0.000 1.017 354 N CA 0.767 53.810 53.050 -0.012 0.000 0.861 354 N CB -0.895 37.584 38.487 -0.013 0.000 0.986 354 N HN 0.462 nan 8.380 nan 0.000 0.428 355 P HA -0.078 nan 4.420 nan 0.000 0.218 355 P C 0.566 177.862 177.300 -0.007 0.000 1.149 355 P CA 1.252 64.347 63.100 -0.008 0.000 0.817 355 P CB 0.054 31.750 31.700 -0.007 0.000 0.785 356 D N -0.483 119.915 120.400 -0.003 0.000 2.117 356 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 356 D C 2.076 178.380 176.300 0.007 0.000 0.982 356 D CA 0.772 54.775 54.000 0.004 0.000 0.828 356 D CB -0.743 40.062 40.800 0.008 0.000 0.967 356 D HN -0.059 nan 8.370 nan 0.000 0.464 357 V N 0.334 120.248 119.914 -0.000 0.000 2.358 357 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 357 V C 2.357 178.447 176.094 -0.006 0.000 1.047 357 V CA 1.388 63.686 62.300 -0.003 0.000 1.035 357 V CB -0.456 31.358 31.823 -0.015 0.000 0.658 357 V HN 0.126 nan 8.190 nan 0.000 0.452 358 Q N 0.620 120.414 119.800 -0.010 0.000 2.084 358 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 358 Q C 2.183 178.174 176.000 -0.014 0.000 0.978 358 Q CA 2.273 58.067 55.803 -0.014 0.000 0.844 358 Q CB -0.745 27.984 28.738 -0.015 0.000 0.898 358 Q HN 0.592 nan 8.270 nan 0.000 0.426 359 A N 0.176 122.989 122.820 -0.012 0.000 1.908 359 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 359 A C 2.282 179.863 177.584 -0.004 0.000 1.181 359 A CA 2.094 54.120 52.037 -0.018 0.000 0.627 359 A CB -1.199 17.789 19.000 -0.020 0.000 0.818 359 A HN 0.499 nan 8.150 nan 0.000 0.445 360 A N -0.165 122.668 122.820 0.022 0.000 1.877 360 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 360 A C 2.113 179.695 177.584 -0.004 0.000 1.186 360 A CA 1.863 53.940 52.037 0.066 0.000 0.620 360 A CB -0.476 18.580 19.000 0.093 0.000 0.822 360 A HN 0.551 nan 8.150 nan 0.000 0.443 361 K N -0.357 120.029 120.400 -0.024 0.000 2.097 361 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 361 K C 1.718 178.283 176.600 -0.058 0.000 1.049 361 K CA 1.424 57.679 56.287 -0.053 0.000 0.933 361 K CB -0.248 32.228 32.500 -0.039 0.000 0.717 361 K HN 0.406 nan 8.250 nan 0.000 0.442 362 N N 1.161 119.839 118.700 -0.036 0.000 2.142 362 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 362 N C 1.455 176.953 175.510 -0.021 0.000 1.023 362 N CA 1.229 54.264 53.050 -0.026 0.000 0.852 362 N CB -0.046 38.427 38.487 -0.023 0.000 0.998 362 N HN 0.198 nan 8.380 nan 0.000 0.424 363 K N 0.324 120.712 120.400 -0.021 0.000 2.025 363 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 363 K C 1.904 178.456 176.600 -0.081 0.000 1.049 363 K CA 0.642 56.960 56.287 0.052 0.000 0.933 363 K CB -0.276 32.338 32.500 0.191 0.000 0.714 363 K HN 0.019 nan 8.250 nan 0.000 0.438 364 L N 2.001 123.002 121.223 -0.370 0.000 2.017 364 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 364 L C 1.800 178.591 176.870 -0.132 0.000 1.073 364 L CA 1.884 56.413 54.840 -0.517 0.000 0.745 364 L CB -0.261 41.491 42.059 -0.511 0.000 0.894 364 L HN -0.015 nan 8.230 nan 0.000 0.432 365 K N -0.695 119.666 120.400 -0.066 0.000 2.057 365 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 365 K C 2.097 178.743 176.600 0.076 0.000 1.049 365 K CA 1.348 57.650 56.287 0.026 0.000 0.931 365 K CB -0.401 32.103 32.500 0.007 0.000 0.714 365 K HN 0.480 nan 8.250 nan 0.000 0.440 366 A N 0.904 123.752 122.820 0.048 0.000 1.898 366 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 366 A C 2.400 180.028 177.584 0.073 0.000 1.181 366 A CA 1.843 53.917 52.037 0.062 0.000 0.620 366 A CB -1.169 17.870 19.000 0.066 0.000 0.819 366 A HN 0.422 nan 8.150 nan 0.000 0.442 367 G N -1.768 107.083 108.800 0.085 0.000 2.422 367 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 367 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 367 G C 1.551 176.510 174.900 0.098 0.000 1.146 367 G CA 1.271 46.428 45.100 0.095 0.000 0.769 367 G HN 0.568 nan 8.290 nan 0.000 0.547 368 Y N 1.129 121.434 120.300 0.007 0.000 2.200 368 Y HA 0.032 4.582 4.550 -0.000 0.000 0.290 368 Y C 2.538 178.460 175.900 0.038 0.000 1.137 368 Y CA 1.151 59.262 58.100 0.018 0.000 1.163 368 Y CB -0.243 38.215 38.460 -0.002 0.000 0.988 368 Y HN 0.104 nan 8.280 nan 0.000 0.518 369 L N -0.737 120.460 121.223 -0.044 0.000 2.056 369 L HA -0.260 4.080 4.340 -0.000 0.000 0.207 369 L C 2.510 179.321 176.870 -0.098 0.000 1.078 369 L CA 1.625 56.407 54.840 -0.097 0.000 0.749 369 L CB -0.503 41.567 42.059 0.019 0.000 0.901 369 L HN 0.298 nan 8.230 nan 0.000 0.433 370 M N -0.504 119.068 119.600 -0.046 0.000 2.229 370 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 370 M C 2.509 178.782 176.300 -0.045 0.000 1.063 370 M CA 1.892 57.175 55.300 -0.029 0.000 1.114 370 M CB -0.255 32.345 32.600 -0.000 0.000 1.387 370 M HN 0.360 nan 8.290 nan 0.000 0.420 371 S N -0.195 115.460 115.700 -0.075 0.000 2.453 371 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 371 S C 1.385 175.941 174.600 -0.073 0.000 1.005 371 S CA 0.901 59.063 58.200 -0.064 0.000 0.949 371 S CB -0.731 62.438 63.200 -0.052 0.000 0.774 371 S HN 0.458 nan 8.310 nan 0.000 0.510 372 V N -0.221 119.619 119.914 -0.124 0.000 3.376 372 V HA 0.374 4.494 4.120 -0.000 0.000 0.313 372 V C 1.669 177.791 176.094 0.047 0.000 1.393 372 V CA 0.270 62.566 62.300 -0.005 0.000 1.125 372 V CB -0.669 31.138 31.823 -0.027 0.000 1.037 372 V HN 0.626 nan 8.190 nan 0.000 0.440 373 E N 1.963 122.158 120.200 -0.008 0.000 2.358 373 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 373 E C 1.218 177.810 176.600 -0.013 0.000 1.010 373 E CA 0.789 57.177 56.400 -0.021 0.000 0.856 373 E CB -0.024 29.662 29.700 -0.024 0.000 0.795 373 E HN 0.735 nan 8.360 nan 0.000 0.504 374 S N 0.449 116.161 115.700 0.019 0.000 2.654 374 S HA 0.221 4.691 4.470 -0.000 0.000 0.283 374 S C 1.212 175.854 174.600 0.070 0.000 1.180 374 S CA -0.236 57.980 58.200 0.027 0.000 1.021 374 S CB 1.708 64.925 63.200 0.028 0.000 1.018 374 S HN 0.234 nan 8.310 nan 0.000 0.532 375 S N 0.716 116.452 115.700 0.060 0.000 2.370 375 S HA -0.248 4.222 4.470 -0.000 0.000 0.226 375 S C 1.634 176.325 174.600 0.152 0.000 1.033 375 S CA 1.400 59.665 58.200 0.108 0.000 1.011 375 S CB -1.000 62.242 63.200 0.069 0.000 0.852 375 S HN 0.897 nan 8.310 nan 0.000 0.457 376 E N 1.687 121.949 120.200 0.103 0.000 2.038 376 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 376 E C 2.253 178.920 176.600 0.113 0.000 1.000 376 E CA 1.291 57.751 56.400 0.099 0.000 0.803 376 E CB -0.975 28.763 29.700 0.063 0.000 0.750 376 E HN 0.640 nan 8.360 nan 0.000 0.448 377 G N 0.137 108.997 108.800 0.099 0.000 2.418 377 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 377 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 377 G C 1.364 176.325 174.900 0.103 0.000 1.158 377 G CA 0.673 45.822 45.100 0.082 0.000 0.771 377 G HN 0.374 nan 8.290 nan 0.000 0.545 378 F N 0.811 120.758 119.950 -0.004 0.000 2.102 378 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 378 F C 2.319 178.123 175.800 0.008 0.000 1.105 378 F CA 1.146 59.141 58.000 -0.009 0.000 1.239 378 F CB -0.349 38.641 39.000 -0.018 0.000 0.991 378 F HN 0.095 nan 8.300 nan 0.000 0.474 379 L N 0.694 121.953 121.223 0.061 0.000 2.042 379 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 379 L C 2.074 178.917 176.870 -0.044 0.000 1.076 379 L CA 2.374 57.211 54.840 -0.005 0.000 0.749 379 L CB -0.959 41.210 42.059 0.185 0.000 0.893 379 L HN 0.253 nan 8.230 nan 0.000 0.432 380 D N -1.116 119.339 120.400 0.091 0.000 2.117 380 D HA -0.251 4.389 4.640 -0.000 0.000 0.197 380 D C 2.065 178.335 176.300 -0.049 0.000 0.987 380 D CA 1.211 55.298 54.000 0.146 0.000 0.829 380 D CB 0.043 40.939 40.800 0.160 0.000 0.961 380 D HN 0.370 nan 8.370 nan 0.000 0.460 381 E N -0.092 120.054 120.200 -0.090 0.000 2.031 381 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 381 E C 2.145 178.651 176.600 -0.156 0.000 0.994 381 E CA 1.257 57.613 56.400 -0.073 0.000 0.800 381 E CB -0.511 29.163 29.700 -0.044 0.000 0.752 381 E HN 0.210 nan 8.360 nan 0.000 0.447 382 V N 0.386 120.082 119.914 -0.364 0.000 2.295 382 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 382 V C 2.369 178.232 176.094 -0.385 0.000 1.049 382 V CA 1.981 64.062 62.300 -0.365 0.000 1.024 382 V CB -1.251 30.196 31.823 -0.627 0.000 0.648 382 V HN 0.488 nan 8.190 nan 0.000 0.447 383 G N -0.560 107.802 108.800 -0.730 0.000 2.422 383 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 383 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 383 G C 1.823 176.314 174.900 -0.682 0.000 1.146 383 G CA 1.223 45.517 45.100 -1.344 0.000 0.769 383 G HN 0.520 nan 8.290 nan 0.000 0.547 384 S N 0.110 115.605 115.700 -0.341 0.000 2.383 384 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 384 S C 2.325 176.912 174.600 -0.021 0.000 1.026 384 S CA 1.095 59.257 58.200 -0.063 0.000 0.981 384 S CB -0.158 63.057 63.200 0.025 0.000 0.818 384 S HN 0.504 nan 8.310 nan 0.000 0.472 385 Q N 0.607 120.393 119.800 -0.023 0.000 2.123 385 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 385 Q C 2.510 178.557 176.000 0.078 0.000 0.966 385 Q CA 1.144 56.972 55.803 0.042 0.000 0.845 385 Q CB -0.314 28.480 28.738 0.093 0.000 0.907 385 Q HN 0.587 nan 8.270 nan 0.000 0.439 386 A N 0.771 123.629 122.820 0.063 0.000 1.933 386 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 386 A C 1.973 179.604 177.584 0.078 0.000 1.175 386 A CA 1.122 53.232 52.037 0.122 0.000 0.628 386 A CB -0.486 18.509 19.000 -0.008 0.000 0.814 386 A HN 0.278 nan 8.150 nan 0.000 0.444 387 L N -1.563 119.682 121.223 0.038 0.000 2.162 387 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 387 L C 3.029 179.947 176.870 0.080 0.000 1.086 387 L CA 0.875 55.755 54.840 0.066 0.000 0.778 387 L CB -0.490 41.622 42.059 0.088 0.000 0.928 387 L HN 0.430 nan 8.230 nan 0.000 0.446 388 A N -0.154 122.711 122.820 0.076 0.000 1.874 388 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 388 A C 2.063 179.686 177.584 0.066 0.000 1.189 388 A CA 1.522 53.605 52.037 0.076 0.000 0.615 388 A CB -0.304 18.738 19.000 0.069 0.000 0.830 388 A HN 0.353 nan 8.150 nan 0.000 0.443 389 A N -2.072 120.785 122.820 0.061 0.000 2.469 389 A HA 0.473 4.793 4.320 -0.000 0.000 0.245 389 A C 1.486 179.114 177.584 0.073 0.000 1.221 389 A CA 0.947 53.014 52.037 0.049 0.000 0.946 389 A CB -0.618 18.392 19.000 0.016 0.000 1.049 389 A HN 1.790 nan 8.150 nan 0.000 0.529 390 G N 0.676 109.548 108.800 0.121 0.000 2.379 390 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.297 390 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.297 390 G C 0.297 175.366 174.900 0.280 0.000 1.004 390 G CA 1.316 46.538 45.100 0.203 0.000 0.921 390 G HN 1.991 nan 8.290 nan 0.000 0.511 391 S N -1.945 113.848 115.700 0.155 0.000 2.636 391 S HA 0.635 5.105 4.470 -0.000 0.000 0.268 391 S C -1.234 173.211 174.600 -0.257 0.000 1.159 391 S CA -0.864 57.166 58.200 -0.284 0.000 0.815 391 S CB 1.929 64.996 63.200 -0.222 0.000 1.130 391 S HN 1.455 nan 8.310 nan 0.000 0.471 392 Y N 1.284 121.185 120.300 -0.665 0.000 2.326 392 Y HA 0.612 5.162 4.550 -0.000 0.000 0.331 392 Y C -0.714 175.061 175.900 -0.208 0.000 0.962 392 Y CA -0.327 57.580 58.100 -0.322 0.000 1.167 392 Y CB 1.793 40.100 38.460 -0.256 0.000 1.148 392 Y HN 0.828 nan 8.280 nan 0.000 0.463 393 T N 9.500 123.636 114.554 -0.696 0.000 2.733 393 T HA 0.331 4.681 4.350 -0.000 0.000 0.294 393 T C -2.635 171.517 174.700 -0.914 0.000 0.956 393 T CA -1.302 60.438 62.100 -0.601 0.000 0.987 393 T CB 0.915 69.587 68.868 -0.327 0.000 0.920 393 T HN 0.455 nan 8.240 nan 0.000 0.470 394 P HA 0.223 nan 4.420 nan 0.000 0.274 394 P C -2.232 174.994 177.300 -0.124 0.000 1.246 394 P CA -1.583 61.255 63.100 -0.438 0.000 0.795 394 P CB 0.602 32.231 31.700 -0.118 0.000 1.006 395 P HA -0.200 nan 4.420 nan 0.000 0.216 395 P C 1.959 179.309 177.300 0.084 0.000 1.153 395 P CA 2.221 65.442 63.100 0.201 0.000 0.858 395 P CB -0.394 31.448 31.700 0.237 0.000 0.789 396 S N -1.932 113.793 115.700 0.043 0.000 2.383 396 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 396 S C 1.901 176.487 174.600 -0.025 0.000 1.030 396 S CA 2.073 60.281 58.200 0.013 0.000 1.002 396 S CB -1.939 61.268 63.200 0.011 0.000 0.829 396 S HN 0.120 nan 8.310 nan 0.000 0.467 397 T N 2.187 116.707 114.554 -0.058 0.000 2.812 397 T HA 0.036 4.386 4.350 -0.000 0.000 0.264 397 T C 1.945 176.581 174.700 -0.106 0.000 1.042 397 T CA 1.283 63.331 62.100 -0.086 0.000 1.140 397 T CB -0.553 68.243 68.868 -0.120 0.000 0.870 397 T HN 0.304 nan 8.240 nan 0.000 0.445 398 V N 1.870 121.704 119.914 -0.134 0.000 2.287 398 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 398 V C 2.509 178.505 176.094 -0.163 0.000 1.053 398 V CA 1.515 63.688 62.300 -0.212 0.000 1.027 398 V CB -0.814 30.775 31.823 -0.390 0.000 0.646 398 V HN 0.433 nan 8.190 nan 0.000 0.447 399 L N -0.588 120.584 121.223 -0.085 0.000 2.012 399 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 399 L C 2.728 179.564 176.870 -0.057 0.000 1.073 399 L CA 1.820 56.630 54.840 -0.049 0.000 0.748 399 L CB -0.697 41.362 42.059 0.002 0.000 0.891 399 L HN 0.359 nan 8.230 nan 0.000 0.431 400 Q N -0.416 119.352 119.800 -0.054 0.000 2.096 400 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 400 Q C 2.278 178.242 176.000 -0.061 0.000 0.982 400 Q CA 1.590 57.364 55.803 -0.050 0.000 0.850 400 Q CB -0.123 28.587 28.738 -0.047 0.000 0.901 400 Q HN 0.550 nan 8.270 nan 0.000 0.422 401 Q N 0.059 119.811 119.800 -0.080 0.000 2.170 401 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 401 Q C 1.989 177.940 176.000 -0.082 0.000 0.976 401 Q CA 0.952 56.705 55.803 -0.084 0.000 0.858 401 Q CB 0.019 28.694 28.738 -0.106 0.000 0.907 401 Q HN 0.438 nan 8.270 nan 0.000 0.433 402 I N 0.728 121.243 120.570 -0.091 0.000 2.252 402 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 402 I C 1.501 177.581 176.117 -0.062 0.000 1.102 402 I CA 0.909 62.160 61.300 -0.083 0.000 1.385 402 I CB -0.170 37.773 38.000 -0.094 0.000 1.064 402 I HN 0.141 nan 8.210 nan 0.000 0.414 403 D N 1.185 121.553 120.400 -0.054 0.000 2.182 403 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 403 D C 2.179 178.454 176.300 -0.042 0.000 0.986 403 D CA 1.432 55.407 54.000 -0.043 0.000 0.847 403 D CB -0.111 40.667 40.800 -0.035 0.000 0.942 403 D HN 0.337 nan 8.370 nan 0.000 0.467 404 A N 0.568 123.360 122.820 -0.046 0.000 2.121 404 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 404 A C 1.202 178.758 177.584 -0.045 0.000 1.154 404 A CA 0.217 52.228 52.037 -0.043 0.000 0.679 404 A CB -0.190 18.784 19.000 -0.044 0.000 0.795 404 A HN 0.074 nan 8.150 nan 0.000 0.458 405 V N 1.013 120.897 119.914 -0.051 0.000 2.493 405 V HA 0.311 4.431 4.120 -0.000 0.000 0.292 405 V C 0.873 176.935 176.094 -0.053 0.000 1.016 405 V CA -0.034 62.232 62.300 -0.056 0.000 1.097 405 V CB -0.038 31.748 31.823 -0.062 0.000 0.947 405 V HN 0.513 nan 8.190 nan 0.000 0.479 406 A N 3.673 126.460 122.820 -0.056 0.000 2.302 406 A HA 0.415 4.735 4.320 -0.000 0.000 0.285 406 A C 0.940 178.489 177.584 -0.058 0.000 1.105 406 A CA -0.532 51.475 52.037 -0.050 0.000 0.816 406 A CB 0.291 19.263 19.000 -0.046 0.000 1.067 406 A HN 0.841 nan 8.150 nan 0.000 0.489 407 D N 1.300 121.672 120.400 -0.048 0.000 2.182 407 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 407 D C 1.969 178.234 176.300 -0.059 0.000 0.986 407 D CA 2.017 55.988 54.000 -0.048 0.000 0.847 407 D CB -0.115 40.664 40.800 -0.036 0.000 0.942 407 D HN 0.619 nan 8.370 nan 0.000 0.467 408 A N 0.656 123.442 122.820 -0.056 0.000 1.968 408 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 408 A C 1.692 179.225 177.584 -0.084 0.000 1.169 408 A CA 1.254 53.255 52.037 -0.060 0.000 0.638 408 A CB -0.158 18.813 19.000 -0.048 0.000 0.812 408 A HN 0.049 nan 8.150 nan 0.000 0.446 409 D N -0.011 120.332 120.400 -0.096 0.000 2.117 409 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 409 D C 2.079 178.259 176.300 -0.199 0.000 0.982 409 D CA 1.463 55.382 54.000 -0.134 0.000 0.828 409 D CB -0.342 40.386 40.800 -0.119 0.000 0.967 409 D HN 0.256 nan 8.370 nan 0.000 0.464 410 V N 1.517 121.330 119.914 -0.168 0.000 2.358 410 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 410 V C 2.574 178.554 176.094 -0.189 0.000 1.047 410 V CA 1.028 63.209 62.300 -0.197 0.000 1.035 410 V CB -0.348 31.404 31.823 -0.118 0.000 0.658 410 V HN 0.152 nan 8.190 nan 0.000 0.452 411 I N 0.567 121.062 120.570 -0.125 0.000 2.226 411 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 411 I C 2.217 178.271 176.117 -0.105 0.000 1.100 411 I CA 1.910 63.155 61.300 -0.092 0.000 1.374 411 I CB -0.509 37.455 38.000 -0.060 0.000 1.057 411 I HN 0.423 nan 8.210 nan 0.000 0.413 412 N N 0.546 119.167 118.700 -0.131 0.000 2.270 412 N HA -0.099 4.641 4.740 -0.000 0.000 0.181 412 N C 1.960 177.353 175.510 -0.195 0.000 1.016 412 N CA 0.918 53.894 53.050 -0.124 0.000 0.870 412 N CB -0.101 38.320 38.487 -0.110 0.000 0.979 412 N HN 0.313 nan 8.380 nan 0.000 0.431 413 A N 1.345 123.928 122.820 -0.394 0.000 1.902 413 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 413 A C 2.347 179.713 177.584 -0.363 0.000 1.181 413 A CA 1.605 53.157 52.037 -0.809 0.000 0.623 413 A CB -0.796 17.362 19.000 -1.404 0.000 0.818 413 A HN 0.326 nan 8.150 nan 0.000 0.443 414 A N -0.040 122.657 122.820 -0.204 0.000 1.877 414 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 414 A C 2.108 179.781 177.584 0.148 0.000 1.186 414 A CA 1.842 53.903 52.037 0.040 0.000 0.620 414 A CB -0.470 18.545 19.000 0.026 0.000 0.822 414 A HN 0.541 nan 8.150 nan 0.000 0.443 415 K N -0.449 119.980 120.400 0.048 0.000 2.103 415 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 415 K C 2.182 178.838 176.600 0.092 0.000 1.048 415 K CA 1.652 57.972 56.287 0.055 0.000 0.930 415 K CB -0.149 32.358 32.500 0.011 0.000 0.716 415 K HN 0.524 nan 8.250 nan 0.000 0.444 416 K N 0.415 120.882 120.400 0.111 0.000 2.148 416 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 416 K C 1.978 178.725 176.600 0.246 0.000 1.050 416 K CA 0.963 57.350 56.287 0.167 0.000 0.942 416 K CB -0.095 32.546 32.500 0.236 0.000 0.724 416 K HN 0.039 nan 8.250 nan 0.000 0.446 417 F N 0.900 120.983 119.950 0.223 0.000 2.084 417 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 417 F C 1.711 177.665 175.800 0.257 0.000 1.111 417 F CA 1.159 59.337 58.000 0.296 0.000 1.224 417 F CB -0.526 38.747 39.000 0.454 0.000 0.991 417 F HN -0.226 nan 8.300 nan 0.000 0.471 418 V N 0.569 120.529 119.914 0.078 0.000 2.332 418 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 418 V C 2.521 178.596 176.094 -0.030 0.000 1.055 418 V CA 2.282 64.567 62.300 -0.023 0.000 1.038 418 V CB -1.242 30.604 31.823 0.038 0.000 0.651 418 V HN 0.607 nan 8.190 nan 0.000 0.450 419 S N -0.280 115.418 115.700 -0.003 0.000 2.524 419 S HA 0.197 4.667 4.470 -0.000 0.000 0.216 419 S C 1.184 175.773 174.600 -0.018 0.000 0.987 419 S CA 0.329 58.528 58.200 -0.001 0.000 0.909 419 S CB -0.164 63.045 63.200 0.015 0.000 0.781 419 S HN 0.556 nan 8.310 nan 0.000 0.521 420 G N 1.459 110.233 108.800 -0.042 0.000 2.527 420 G HA2 0.370 4.330 3.960 -0.000 0.000 0.248 420 G HA3 0.370 4.330 3.960 -0.000 0.000 0.248 420 G C -0.374 174.491 174.900 -0.058 0.000 1.231 420 G CA -0.894 44.176 45.100 -0.050 0.000 0.838 420 G HN 0.493 nan 8.290 nan 0.000 0.570 421 R N 0.982 121.479 120.500 -0.005 0.000 2.522 421 R HA 0.113 4.453 4.340 -0.000 0.000 0.284 421 R C 0.082 176.420 176.300 0.064 0.000 1.032 421 R CA -0.022 56.100 56.100 0.038 0.000 1.049 421 R CB 0.342 30.708 30.300 0.110 0.000 0.956 421 R HN 0.271 nan 8.270 nan 0.000 0.422 422 K N 2.015 122.403 120.400 -0.020 0.000 2.090 422 K HA 0.323 4.643 4.320 -0.000 0.000 0.249 422 K C -0.570 176.004 176.600 -0.043 0.000 0.995 422 K CA -0.593 55.669 56.287 -0.042 0.000 0.914 422 K CB 1.949 34.349 32.500 -0.167 0.000 1.057 422 K HN 0.519 nan 8.250 nan 0.000 0.462 423 S N 0.910 116.582 115.700 -0.046 0.000 2.526 423 S HA 0.639 5.109 4.470 -0.000 0.000 0.293 423 S C -0.733 173.778 174.600 -0.149 0.000 1.092 423 S CA -0.758 57.365 58.200 -0.128 0.000 0.980 423 S CB 1.606 64.719 63.200 -0.146 0.000 1.048 423 S HN 0.599 nan 8.310 nan 0.000 0.483 424 M N 2.428 121.931 119.600 -0.163 0.000 2.470 424 M HA 0.765 5.245 4.480 -0.000 0.000 0.285 424 M C -2.147 174.055 176.300 -0.163 0.000 1.213 424 M CA -0.508 54.681 55.300 -0.185 0.000 0.901 424 M CB 1.909 34.396 32.600 -0.189 0.000 1.718 424 M HN 0.779 nan 8.290 nan 0.000 0.469 425 A N 2.465 125.175 122.820 -0.182 0.000 2.455 425 A HA 0.994 5.314 4.320 -0.000 0.000 0.300 425 A C -1.758 175.721 177.584 -0.174 0.000 1.040 425 A CA -0.247 51.705 52.037 -0.142 0.000 0.697 425 A CB 1.711 20.653 19.000 -0.097 0.000 1.265 425 A HN 1.208 nan 8.150 nan 0.000 0.407 426 A N 0.899 123.632 122.820 -0.144 0.000 2.549 426 A HA 0.936 5.256 4.320 -0.000 0.000 0.297 426 A C -0.426 177.094 177.584 -0.107 0.000 1.061 426 A CA 0.114 52.063 52.037 -0.148 0.000 0.690 426 A CB 1.435 20.330 19.000 -0.175 0.000 1.287 426 A HN 2.350 nan 8.150 nan 0.000 0.402 427 S N 0.231 115.880 115.700 -0.084 0.000 2.540 427 S HA 0.962 5.432 4.470 -0.000 0.000 0.275 427 S C -0.044 174.515 174.600 -0.069 0.000 1.123 427 S CA 0.152 58.296 58.200 -0.094 0.000 0.907 427 S CB 1.328 64.448 63.200 -0.132 0.000 1.081 427 S HN 2.839 nan 8.310 nan 0.000 0.476 428 G N 1.836 110.587 108.800 -0.081 0.000 2.293 428 G HA2 0.060 4.020 3.960 -0.000 0.000 0.282 428 G HA3 0.060 4.020 3.960 -0.000 0.000 0.282 428 G C -1.478 173.387 174.900 -0.059 0.000 1.299 428 G CA -0.793 44.274 45.100 -0.056 0.000 1.018 428 G HN 0.941 nan 8.290 nan 0.000 0.478 429 N N 1.178 119.847 118.700 -0.050 0.000 2.415 429 N HA 0.282 5.022 4.740 -0.000 0.000 0.250 429 N C 1.278 176.748 175.510 -0.066 0.000 1.127 429 N CA -0.276 52.739 53.050 -0.058 0.000 0.945 429 N CB 0.131 38.580 38.487 -0.063 0.000 1.196 429 N HN 0.476 nan 8.380 nan 0.000 0.499 430 L N 2.309 123.492 121.223 -0.066 0.000 2.645 430 L HA 0.189 4.529 4.340 -0.000 0.000 0.234 430 L C 2.071 178.917 176.870 -0.041 0.000 1.165 430 L CA -0.150 54.645 54.840 -0.076 0.000 0.944 430 L CB -0.268 41.722 42.059 -0.116 0.000 1.149 430 L HN 0.522 nan 8.230 nan 0.000 0.446 431 G N -0.646 108.137 108.800 -0.029 0.000 2.485 431 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.221 431 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.221 431 G C 1.091 176.126 174.900 0.225 0.000 1.115 431 G CA 0.672 45.794 45.100 0.038 0.000 0.751 431 G HN 0.606 nan 8.290 nan 0.000 0.567 432 H N -0.965 118.088 119.070 -0.028 0.000 2.567 432 H HA 0.206 4.762 4.556 -0.000 0.000 0.267 432 H C -0.214 175.084 175.328 -0.051 0.000 1.148 432 H CA -0.500 55.533 56.048 -0.024 0.000 1.031 432 H CB 0.814 30.567 29.762 -0.015 0.000 1.691 432 H HN 0.102 nan 8.280 nan 0.000 0.588 433 T N 4.758 119.321 114.554 0.014 0.000 2.733 433 T HA 0.158 4.508 4.350 -0.000 0.000 0.294 433 T C -2.169 172.425 174.700 -0.176 0.000 0.956 433 T CA -1.370 60.678 62.100 -0.088 0.000 0.987 433 T CB 1.645 70.426 68.868 -0.145 0.000 0.920 433 T HN 0.219 nan 8.240 nan 0.000 0.470 434 P HA 0.228 nan 4.420 nan 0.000 0.272 434 P C -0.669 176.501 177.300 -0.217 0.000 1.230 434 P CA -0.426 62.620 63.100 -0.089 0.000 0.788 434 P CB 0.621 32.311 31.700 -0.017 0.000 0.949 435 F N 0.116 120.039 119.950 -0.046 0.000 2.380 435 F HA 0.248 4.775 4.527 -0.000 0.000 0.321 435 F C 2.298 178.050 175.800 -0.080 0.000 1.103 435 F CA -0.409 57.555 58.000 -0.060 0.000 1.067 435 F CB 0.146 39.117 39.000 -0.049 0.000 1.265 435 F HN 0.205 nan 8.300 nan 0.000 0.517 436 I N 0.757 121.374 120.570 0.079 0.000 2.194 436 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 436 I C 1.765 177.874 176.117 -0.013 0.000 1.093 436 I CA 1.693 62.974 61.300 -0.031 0.000 1.355 436 I CB -0.384 37.581 38.000 -0.059 0.000 1.046 436 I HN 0.638 nan 8.210 nan 0.000 0.413 437 D N 0.284 120.707 120.400 0.038 0.000 2.378 437 D HA -0.155 4.485 4.640 -0.000 0.000 0.227 437 D C 1.284 177.604 176.300 0.034 0.000 1.012 437 D CA 0.689 54.700 54.000 0.019 0.000 0.905 437 D CB -0.466 40.334 40.800 0.001 0.000 0.895 437 D HN 0.442 nan 8.370 nan 0.000 0.532 438 E N -0.269 119.967 120.200 0.059 0.000 2.476 438 E HA 0.220 4.570 4.350 -0.000 0.000 0.196 438 E C 0.449 177.078 176.600 0.048 0.000 1.029 438 E CA -0.210 56.225 56.400 0.060 0.000 0.896 438 E CB 0.679 30.436 29.700 0.095 0.000 1.012 438 E HN 0.336 nan 8.360 nan 0.000 0.475 439 L N 0.000 121.238 121.223 0.025 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.863 54.840 0.039 0.000 0.813 439 L CB 0.000 41.950 42.059 -0.182 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502