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 1st0_1_A DATA FIRST_RESID 38 DATA SEQUENCE APVRLPFSGF RLQKVLRESA RDKIIFLHGK VNEASGDGDG EDAVVILEKT DATA SEQUENCE PFQVEQVAQL LTGSPELQLQ FSNDIYSTYH LFPPRQLNDV KTTVVYPATE DATA SEQUENCE KHLQKYLRQD LRLIRETGDD YRNITLPHLE SQSLSIQWVY NILDKKAEAD DATA SEQUENCE RIVFENPDPS DGFVLIPDLK WNQQQLDDLY LIAICHRRGI RSLRDLTPEH DATA SEQUENCE LPLLRNILHQ GQEAILQRYR MKGDHLRVYL HYLPSYYHLN VHFTALGFEA DATA SEQUENCE PGSGVERAHL LAEVIENLEC DPRHYQQRTL TFALRADDPL LKLLQEAQQS 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.560 177.584 -0.040 0.000 1.274 38 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 38 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 39 P HA 0.603 nan 4.420 nan 0.000 0.276 39 P C -0.350 176.917 177.300 -0.056 0.000 1.230 39 P CA -0.101 62.969 63.100 -0.050 0.000 0.776 39 P CB 0.962 32.633 31.700 -0.048 0.000 0.888 40 V N 2.575 122.448 119.914 -0.067 0.000 3.284 40 V HA 0.534 4.654 4.120 -0.000 0.000 0.309 40 V C 0.841 176.876 176.094 -0.098 0.000 1.190 40 V CA -0.979 61.275 62.300 -0.076 0.000 1.038 40 V CB 1.472 33.248 31.823 -0.077 0.000 1.198 40 V HN 0.551 nan 8.190 nan 0.000 0.465 41 R N -0.280 120.150 120.500 -0.117 0.000 2.923 41 R HA 0.626 4.966 4.340 -0.000 0.000 0.252 41 R C -1.028 175.131 176.300 -0.235 0.000 1.130 41 R CA -0.985 55.020 56.100 -0.157 0.000 1.043 41 R CB 1.354 31.570 30.300 -0.141 0.000 1.205 41 R HN 0.432 nan 8.270 nan 0.000 0.495 42 L N 2.592 123.607 121.223 -0.347 0.000 2.499 42 L HA 0.065 4.405 4.340 -0.000 0.000 0.281 42 L C -1.242 175.234 176.870 -0.657 0.000 1.234 42 L CA -0.943 53.530 54.840 -0.611 0.000 0.839 42 L CB 0.295 41.786 42.059 -0.947 0.000 1.104 42 L HN 0.393 nan 8.230 nan 0.000 0.500 43 P HA 0.068 nan 4.420 nan 0.000 0.253 43 P C -0.930 176.134 177.300 -0.395 0.000 1.508 43 P CA 0.326 63.215 63.100 -0.351 0.000 0.883 43 P CB -0.339 31.324 31.700 -0.062 0.000 1.519 44 F N -3.980 115.814 119.950 -0.261 0.000 2.779 44 F HA 0.650 5.177 4.527 -0.000 0.000 0.316 44 F C -0.846 174.864 175.800 -0.149 0.000 1.164 44 F CA -1.704 56.101 58.000 -0.325 0.000 0.924 44 F CB 0.164 38.796 39.000 -0.614 0.000 1.348 44 F HN -0.461 nan 8.300 nan 0.000 0.467 45 S N 0.269 116.112 115.700 0.239 0.000 2.472 45 S HA 0.769 5.238 4.470 -0.000 0.000 0.303 45 S C -0.075 174.662 174.600 0.229 0.000 1.099 45 S CA -0.119 58.186 58.200 0.175 0.000 1.077 45 S CB 1.055 64.303 63.200 0.081 0.000 1.031 45 S HN 1.754 nan 8.310 nan 0.000 0.487 46 G N 1.466 110.395 108.800 0.216 0.000 2.716 46 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.686 46 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.686 46 G C -1.171 173.909 174.900 0.300 0.000 1.337 46 G CA -0.693 44.515 45.100 0.180 0.000 0.829 46 G HN 0.843 nan 8.290 nan 0.000 0.599 47 F N 1.830 121.811 119.950 0.051 0.000 2.689 47 F HA 0.698 5.225 4.527 -0.000 0.000 0.332 47 F C -0.224 175.561 175.800 -0.027 0.000 1.209 47 F CA -0.917 57.080 58.000 -0.006 0.000 1.028 47 F CB 1.535 40.593 39.000 0.097 0.000 1.291 47 F HN 0.708 nan 8.300 nan 0.000 0.500 48 R N 6.446 126.679 120.500 -0.445 0.000 2.343 48 R HA 0.578 4.918 4.340 -0.000 0.000 0.320 48 R C -1.486 174.512 176.300 -0.504 0.000 0.956 48 R CA -0.969 54.945 56.100 -0.310 0.000 0.836 48 R CB 1.292 31.466 30.300 -0.211 0.000 1.151 48 R HN 0.767 nan 8.270 nan 0.000 0.450 49 L N 4.253 125.309 121.223 -0.279 0.000 2.513 49 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 49 L C 0.498 177.220 176.870 -0.246 0.000 1.187 49 L CA 0.846 55.548 54.840 -0.231 0.000 0.895 49 L CB 1.078 43.144 42.059 0.012 0.000 1.147 49 L HN 0.765 nan 8.230 nan 0.000 0.483 50 Q N 3.788 123.387 119.800 -0.334 0.000 2.387 50 Q HA 0.195 4.535 4.340 -0.000 0.000 0.212 50 Q C 0.007 175.925 176.000 -0.137 0.000 0.925 50 Q CA 0.690 56.309 55.803 -0.307 0.000 0.901 50 Q CB 0.399 28.760 28.738 -0.627 0.000 1.020 50 Q HN 0.661 nan 8.270 nan 0.000 0.545 51 K N 0.003 120.372 120.400 -0.052 0.000 2.569 51 K HA 0.285 4.605 4.320 -0.000 0.000 0.259 51 K C -1.456 175.218 176.600 0.123 0.000 0.932 51 K CA -0.286 56.038 56.287 0.061 0.000 0.833 51 K CB 2.222 34.797 32.500 0.125 0.000 1.340 51 K HN -0.202 nan 8.250 nan 0.000 0.429 52 V N 6.660 126.640 119.914 0.110 0.000 2.397 52 V HA 0.053 4.173 4.120 -0.000 0.000 0.262 52 V C 1.426 177.603 176.094 0.138 0.000 1.047 52 V CA 0.070 62.450 62.300 0.133 0.000 1.003 52 V CB 0.474 32.360 31.823 0.106 0.000 1.037 52 V HN 0.784 nan 8.190 nan 0.000 0.480 53 L N 3.907 125.236 121.223 0.178 0.000 2.072 53 L HA 0.115 4.455 4.340 -0.000 0.000 0.205 53 L C 1.278 178.194 176.870 0.077 0.000 1.079 53 L CA 1.262 56.189 54.840 0.143 0.000 0.752 53 L CB -0.099 42.074 42.059 0.191 0.000 0.906 53 L HN 0.614 nan 8.230 nan 0.000 0.436 54 R N -0.531 120.033 120.500 0.108 0.000 2.634 54 R HA 0.365 4.705 4.340 -0.000 0.000 0.263 54 R C -1.553 174.864 176.300 0.195 0.000 1.060 54 R CA -0.490 55.636 56.100 0.043 0.000 0.898 54 R CB 1.867 32.022 30.300 -0.242 0.000 1.253 54 R HN -0.077 nan 8.270 nan 0.000 0.461 55 E N 1.202 121.489 120.200 0.146 0.000 2.331 55 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 55 E C -2.039 174.638 176.600 0.127 0.000 0.895 55 E CA -0.579 55.917 56.400 0.159 0.000 0.753 55 E CB 2.376 32.142 29.700 0.108 0.000 1.216 55 E HN 0.405 nan 8.360 nan 0.000 0.434 56 S N 1.847 117.626 115.700 0.132 0.000 2.614 56 S HA 0.566 5.036 4.470 -0.000 0.000 0.275 56 S C -0.140 174.511 174.600 0.085 0.000 1.161 56 S CA 0.175 58.435 58.200 0.101 0.000 0.969 56 S CB 1.481 64.749 63.200 0.114 0.000 1.059 56 S HN 0.608 nan 8.310 nan 0.000 0.482 57 A N 4.709 127.570 122.820 0.068 0.000 2.123 57 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 57 A C 2.064 179.685 177.584 0.062 0.000 1.152 57 A CA 0.458 52.531 52.037 0.061 0.000 0.728 57 A CB -0.322 18.710 19.000 0.053 0.000 0.814 57 A HN 0.803 nan 8.150 nan 0.000 0.464 58 R N 0.847 121.385 120.500 0.064 0.000 2.070 58 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 58 R C 0.533 176.879 176.300 0.078 0.000 1.138 58 R CA 2.059 58.197 56.100 0.064 0.000 0.936 58 R CB -0.226 30.109 30.300 0.058 0.000 0.839 58 R HN 0.621 nan 8.270 nan 0.000 0.429 59 D N -0.718 119.736 120.400 0.090 0.000 2.395 59 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 59 D C -0.483 175.865 176.300 0.081 0.000 1.110 59 D CA -0.259 53.803 54.000 0.102 0.000 0.835 59 D CB 0.211 41.091 40.800 0.133 0.000 0.965 59 D HN -0.037 nan 8.370 nan 0.000 0.505 60 K N -0.178 120.264 120.400 0.070 0.000 3.372 60 K HA -0.144 4.176 4.320 -0.000 0.000 0.272 60 K C -0.779 175.838 176.600 0.028 0.000 1.037 60 K CA 0.323 56.637 56.287 0.044 0.000 0.777 60 K CB -1.835 30.679 32.500 0.024 0.000 1.347 60 K HN 0.600 nan 8.250 nan 0.000 0.460 61 I N -0.035 120.566 120.570 0.052 0.000 2.828 61 I HA 0.702 4.872 4.170 -0.000 0.000 0.302 61 I C -1.188 174.961 176.117 0.053 0.000 1.101 61 I CA -1.433 59.875 61.300 0.014 0.000 1.031 61 I CB 1.501 39.531 38.000 0.050 0.000 1.231 61 I HN 0.283 nan 8.210 nan 0.000 0.427 62 I N 5.181 125.728 120.570 -0.040 0.000 2.692 62 I HA 0.447 4.617 4.170 -0.000 0.000 0.293 62 I C -1.873 174.222 176.117 -0.037 0.000 1.200 62 I CA -0.439 60.905 61.300 0.074 0.000 1.036 62 I CB 1.906 39.938 38.000 0.053 0.000 1.258 62 I HN 0.414 nan 8.210 nan 0.000 0.421 63 F N 7.439 127.383 119.950 -0.009 0.000 2.375 63 F HA 0.525 5.052 4.527 -0.000 0.000 0.361 63 F C -0.536 175.286 175.800 0.036 0.000 1.117 63 F CA -0.555 57.418 58.000 -0.045 0.000 1.037 63 F CB 1.376 40.321 39.000 -0.092 0.000 1.192 63 F HN 0.093 nan 8.300 nan 0.000 0.452 64 L N 3.632 124.982 121.223 0.211 0.000 2.322 64 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 64 L C -0.175 176.922 176.870 0.379 0.000 1.014 64 L CA -0.716 54.295 54.840 0.284 0.000 0.815 64 L CB 1.781 44.028 42.059 0.313 0.000 1.247 64 L HN 0.643 nan 8.230 nan 0.000 0.421 65 H N 2.452 121.640 119.070 0.196 0.000 2.552 65 H HA 0.514 5.070 4.556 -0.000 0.000 0.311 65 H C -0.462 174.831 175.328 -0.059 0.000 1.071 65 H CA -0.595 55.521 56.048 0.113 0.000 1.307 65 H CB 1.398 31.207 29.762 0.079 0.000 1.416 65 H HN 0.749 nan 8.280 nan 0.000 0.464 66 G N 4.337 113.019 108.800 -0.196 0.000 2.473 66 G HA2 0.242 4.202 3.960 -0.000 0.000 0.321 66 G HA3 0.242 4.202 3.960 -0.000 0.000 0.321 66 G C -0.996 173.509 174.900 -0.659 0.000 1.200 66 G CA -0.853 43.595 45.100 -1.086 0.000 0.963 66 G HN 0.499 nan 8.290 nan 0.000 0.483 67 K N 0.361 120.381 120.400 -0.633 0.000 2.172 67 K HA 0.514 4.833 4.320 -0.000 0.000 0.276 67 K C 0.125 176.495 176.600 -0.385 0.000 1.013 67 K CA -0.333 55.730 56.287 -0.374 0.000 0.913 67 K CB 1.707 34.056 32.500 -0.251 0.000 1.055 67 K HN 0.536 nan 8.250 nan 0.000 0.461 68 V N -1.101 118.637 119.914 -0.294 0.000 3.102 68 V HA 0.463 4.583 4.120 -0.000 0.000 0.312 68 V C -0.020 176.008 176.094 -0.111 0.000 1.135 68 V CA -1.099 61.024 62.300 -0.296 0.000 1.022 68 V CB 1.704 33.088 31.823 -0.731 0.000 1.056 68 V HN 0.809 nan 8.190 nan 0.000 0.436 69 N N 0.760 119.441 118.700 -0.032 0.000 2.727 69 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 69 N C 0.784 176.300 175.510 0.010 0.000 1.048 69 N CA 1.375 54.437 53.050 0.020 0.000 0.714 69 N CB -0.950 37.570 38.487 0.055 0.000 0.959 69 N HN 0.990 nan 8.380 nan 0.000 0.544 70 E N -0.483 119.711 120.200 -0.010 0.000 2.427 70 E HA 0.051 4.401 4.350 -0.000 0.000 0.196 70 E C 1.425 178.026 176.600 0.001 0.000 1.028 70 E CA 0.890 57.284 56.400 -0.011 0.000 0.864 70 E CB 0.129 29.810 29.700 -0.031 0.000 0.813 70 E HN 0.526 nan 8.360 nan 0.000 0.514 71 A N 1.300 124.126 122.820 0.009 0.000 2.370 71 A HA 0.105 4.425 4.320 -0.000 0.000 0.238 71 A C 0.596 178.191 177.584 0.018 0.000 1.289 71 A CA -0.088 51.956 52.037 0.012 0.000 0.885 71 A CB -0.069 18.940 19.000 0.014 0.000 0.961 71 A HN 0.152 nan 8.150 nan 0.000 0.499 72 S N -2.914 112.799 115.700 0.022 0.000 2.632 72 S HA 0.770 5.240 4.470 -0.000 0.000 0.289 72 S C 0.711 175.327 174.600 0.027 0.000 1.115 72 S CA 0.110 58.327 58.200 0.027 0.000 0.889 72 S CB 1.248 64.471 63.200 0.037 0.000 1.116 72 S HN 1.899 nan 8.310 nan 0.000 0.486 73 G N 2.320 111.136 108.800 0.027 0.000 2.622 73 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.307 73 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.307 73 G C 0.249 175.161 174.900 0.020 0.000 1.226 73 G CA 0.946 46.062 45.100 0.026 0.000 0.997 73 G HN 1.408 nan 8.290 nan 0.000 0.551 74 D N 1.487 121.899 120.400 0.020 0.000 2.336 74 D HA 0.367 5.007 4.640 -0.000 0.000 0.229 74 D C 1.868 178.175 176.300 0.012 0.000 1.061 74 D CA 1.265 55.274 54.000 0.015 0.000 0.875 74 D CB -0.503 40.306 40.800 0.015 0.000 0.904 74 D HN 2.181 nan 8.370 nan 0.000 0.525 75 G N 0.635 109.443 108.800 0.013 0.000 2.184 75 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 75 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 75 G C 0.713 175.613 174.900 0.000 0.000 0.975 75 G CA 0.465 45.569 45.100 0.006 0.000 0.642 75 G HN 0.397 nan 8.290 nan 0.000 0.536 76 D N 0.836 121.238 120.400 0.004 0.000 2.348 76 D HA 0.384 5.023 4.640 -0.000 0.000 0.211 76 D C 1.852 178.150 176.300 -0.004 0.000 0.998 76 D CA 1.738 55.737 54.000 -0.001 0.000 0.873 76 D CB -0.090 40.714 40.800 0.006 0.000 0.925 76 D HN 1.533 nan 8.370 nan 0.000 0.524 77 G N 0.652 109.456 108.800 0.005 0.000 2.698 77 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.233 77 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.233 77 G C -0.473 174.443 174.900 0.026 0.000 1.352 77 G CA -0.516 44.587 45.100 0.004 0.000 0.879 77 G HN 0.220 nan 8.290 nan 0.000 0.567 78 E N -0.445 119.773 120.200 0.031 0.000 2.392 78 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 78 E C -1.234 175.401 176.600 0.058 0.000 0.924 78 E CA -0.967 55.484 56.400 0.084 0.000 0.784 78 E CB 1.636 31.462 29.700 0.209 0.000 1.292 78 E HN 0.485 nan 8.360 nan 0.000 0.447 79 D N 0.674 121.136 120.400 0.102 0.000 2.210 79 D HA 0.507 5.147 4.640 -0.000 0.000 0.249 79 D C -0.908 175.474 176.300 0.136 0.000 1.062 79 D CA -0.111 53.971 54.000 0.137 0.000 0.891 79 D CB 1.742 42.627 40.800 0.141 0.000 1.186 79 D HN 0.411 nan 8.370 nan 0.000 0.432 80 A N 1.556 124.447 122.820 0.118 0.000 2.475 80 A HA 0.581 4.901 4.320 -0.000 0.000 0.301 80 A C -0.924 176.813 177.584 0.254 0.000 1.059 80 A CA -0.677 51.452 52.037 0.152 0.000 0.710 80 A CB 1.594 20.520 19.000 -0.124 0.000 1.288 80 A HN 0.321 nan 8.150 nan 0.000 0.408 81 V N 1.834 121.891 119.914 0.237 0.000 2.459 81 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 81 V C -0.502 175.698 176.094 0.177 0.000 1.029 81 V CA -0.415 62.021 62.300 0.228 0.000 0.874 81 V CB 1.579 33.508 31.823 0.176 0.000 0.985 81 V HN 0.669 nan 8.190 nan 0.000 0.438 82 V N 6.572 126.572 119.914 0.144 0.000 2.448 82 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 82 V C -0.321 175.696 176.094 -0.129 0.000 1.025 82 V CA -0.423 61.862 62.300 -0.026 0.000 0.859 82 V CB 1.785 33.492 31.823 -0.194 0.000 0.988 82 V HN 0.674 nan 8.190 nan 0.000 0.431 83 I N 6.064 126.490 120.570 -0.239 0.000 2.362 83 I HA 0.520 4.690 4.170 -0.000 0.000 0.289 83 I C -0.700 175.226 176.117 -0.318 0.000 0.994 83 I CA -0.384 60.653 61.300 -0.438 0.000 1.158 83 I CB 1.531 39.129 38.000 -0.669 0.000 1.315 83 I HN 0.313 nan 8.210 nan 0.000 0.451 84 L N 6.088 127.140 121.223 -0.286 0.000 2.365 84 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 84 L C -0.504 176.256 176.870 -0.183 0.000 1.000 84 L CA -0.519 54.202 54.840 -0.198 0.000 0.819 84 L CB 2.266 44.241 42.059 -0.141 0.000 1.284 84 L HN 0.619 nan 8.230 nan 0.000 0.418 85 E N 2.787 122.902 120.200 -0.141 0.000 2.290 85 E HA 0.297 4.647 4.350 -0.000 0.000 0.274 85 E C -1.233 175.317 176.600 -0.082 0.000 0.889 85 E CA -0.849 55.491 56.400 -0.101 0.000 0.760 85 E CB 1.864 31.507 29.700 -0.094 0.000 1.206 85 E HN 0.334 nan 8.360 nan 0.000 0.419 86 K N 1.837 122.197 120.400 -0.067 0.000 2.319 86 K HA 0.169 4.489 4.320 -0.000 0.000 0.265 86 K C 0.212 176.748 176.600 -0.105 0.000 1.000 86 K CA 0.005 56.236 56.287 -0.093 0.000 0.943 86 K CB 0.938 33.383 32.500 -0.092 0.000 0.950 86 K HN 0.687 nan 8.250 nan 0.000 0.485 87 T N -0.513 113.948 114.554 -0.155 0.000 2.927 87 T HA 0.493 4.843 4.350 -0.000 0.000 0.281 87 T C -2.233 172.343 174.700 -0.208 0.000 0.998 87 T CA -1.840 60.175 62.100 -0.142 0.000 1.019 87 T CB 0.880 69.666 68.868 -0.135 0.000 1.061 87 T HN 0.199 nan 8.240 nan 0.000 0.518 88 P HA 0.310 nan 4.420 nan 0.000 0.270 88 P C -0.713 176.513 177.300 -0.123 0.000 1.223 88 P CA -0.494 62.563 63.100 -0.071 0.000 0.785 88 P CB 0.170 31.878 31.700 0.013 0.000 0.923 89 F N 0.076 120.037 119.950 0.020 0.000 2.410 89 F HA 0.186 4.713 4.527 -0.000 0.000 0.334 89 F C 1.278 177.087 175.800 0.015 0.000 1.134 89 F CA 0.187 58.195 58.000 0.013 0.000 1.227 89 F CB 0.533 39.541 39.000 0.013 0.000 1.194 89 F HN 0.149 nan 8.300 nan 0.000 0.571 90 Q N 1.908 121.835 119.800 0.211 0.000 2.430 90 Q HA 0.209 4.549 4.340 -0.000 0.000 0.245 90 Q C 0.764 176.840 176.000 0.126 0.000 1.021 90 Q CA -0.387 55.493 55.803 0.129 0.000 0.867 90 Q CB 1.691 30.476 28.738 0.078 0.000 1.210 90 Q HN 0.612 nan 8.270 nan 0.000 0.487 91 V N 2.807 122.781 119.914 0.100 0.000 2.324 91 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 91 V C 1.750 177.868 176.094 0.039 0.000 1.060 91 V CA 2.178 64.512 62.300 0.057 0.000 1.042 91 V CB -0.281 31.565 31.823 0.039 0.000 0.650 91 V HN 0.779 nan 8.190 nan 0.000 0.450 92 E N -0.640 119.585 120.200 0.042 0.000 2.110 92 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 92 E C 2.341 178.959 176.600 0.030 0.000 0.988 92 E CA 1.147 57.565 56.400 0.030 0.000 0.804 92 E CB -0.197 29.520 29.700 0.028 0.000 0.745 92 E HN 0.551 nan 8.360 nan 0.000 0.458 93 Q N 0.302 120.128 119.800 0.043 0.000 2.170 93 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 93 Q C 2.371 178.399 176.000 0.046 0.000 0.976 93 Q CA 0.885 56.715 55.803 0.044 0.000 0.858 93 Q CB -0.446 28.325 28.738 0.055 0.000 0.907 93 Q HN 0.220 nan 8.270 nan 0.000 0.433 94 V N 1.025 120.970 119.914 0.051 0.000 2.323 94 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 94 V C 2.346 178.433 176.094 -0.011 0.000 1.041 94 V CA 1.574 63.886 62.300 0.021 0.000 1.025 94 V CB -1.148 30.658 31.823 -0.028 0.000 0.656 94 V HN 0.320 nan 8.190 nan 0.000 0.451 95 A N -0.351 122.461 122.820 -0.012 0.000 1.892 95 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 95 A C 2.174 179.752 177.584 -0.010 0.000 1.188 95 A CA 2.410 54.437 52.037 -0.017 0.000 0.631 95 A CB -0.665 18.329 19.000 -0.010 0.000 0.822 95 A HN 0.526 nan 8.150 nan 0.000 0.447 96 Q N -0.751 119.049 119.800 0.000 0.000 2.135 96 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 96 Q C 1.838 177.838 176.000 -0.000 0.000 0.981 96 Q CA 1.800 57.604 55.803 0.002 0.000 0.856 96 Q CB -0.544 28.199 28.738 0.009 0.000 0.902 96 Q HN 0.528 nan 8.270 nan 0.000 0.425 97 L N -0.432 120.793 121.223 0.003 0.000 2.017 97 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 97 L C 1.924 178.784 176.870 -0.017 0.000 1.073 97 L CA 1.706 56.546 54.840 0.000 0.000 0.745 97 L CB -0.621 41.444 42.059 0.011 0.000 0.894 97 L HN 0.360 nan 8.230 nan 0.000 0.432 98 L N -1.470 119.736 121.223 -0.030 0.000 2.362 98 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 98 L C 2.314 179.160 176.870 -0.039 0.000 1.134 98 L CA 1.159 55.971 54.840 -0.047 0.000 0.807 98 L CB -0.817 41.207 42.059 -0.059 0.000 0.927 98 L HN 0.281 nan 8.230 nan 0.000 0.447 99 T N -0.538 114.001 114.554 -0.026 0.000 2.962 99 T HA 0.007 4.357 4.350 -0.000 0.000 0.270 99 T C 1.119 175.808 174.700 -0.018 0.000 1.088 99 T CA 1.005 63.093 62.100 -0.020 0.000 1.127 99 T CB -0.049 68.811 68.868 -0.013 0.000 0.883 99 T HN 0.530 nan 8.240 nan 0.000 0.493 100 G N -0.213 108.576 108.800 -0.018 0.000 3.075 100 G HA2 0.447 4.407 3.960 -0.000 0.000 0.156 100 G HA3 0.447 4.407 3.960 -0.000 0.000 0.156 100 G C -0.682 174.208 174.900 -0.017 0.000 1.403 100 G CA -0.336 44.757 45.100 -0.013 0.000 1.033 100 G HN 0.273 nan 8.290 nan 0.000 0.589 101 S N 2.038 117.731 115.700 -0.010 0.000 2.252 101 S HA 0.462 4.932 4.470 -0.000 0.000 0.187 101 S C -2.458 172.141 174.600 -0.003 0.000 1.587 101 S CA -0.647 57.547 58.200 -0.011 0.000 1.215 101 S CB 1.211 64.409 63.200 -0.003 0.000 1.085 101 S HN 0.393 nan 8.310 nan 0.000 0.466 102 P HA 0.176 nan 4.420 nan 0.000 0.272 102 P C -0.222 177.100 177.300 0.037 0.000 1.230 102 P CA -0.511 62.594 63.100 0.009 0.000 0.788 102 P CB 0.491 32.180 31.700 -0.019 0.000 0.949 103 E N 1.415 121.666 120.200 0.085 0.000 2.217 103 E HA 0.281 4.631 4.350 -0.000 0.000 0.279 103 E C -1.073 175.654 176.600 0.212 0.000 1.068 103 E CA -0.192 56.289 56.400 0.136 0.000 0.882 103 E CB -0.091 29.703 29.700 0.156 0.000 1.039 103 E HN 0.304 nan 8.360 nan 0.000 0.418 104 L N 3.478 124.815 121.223 0.189 0.000 2.350 104 L HA 0.444 4.784 4.340 -0.000 0.000 0.260 104 L C -0.483 176.563 176.870 0.294 0.000 1.015 104 L CA -0.873 54.114 54.840 0.245 0.000 0.821 104 L CB 2.316 44.459 42.059 0.141 0.000 1.370 104 L HN 0.514 nan 8.230 nan 0.000 0.416 105 Q N 1.500 121.520 119.800 0.366 0.000 2.375 105 Q HA 0.543 4.883 4.340 -0.000 0.000 0.271 105 Q C -1.464 174.701 176.000 0.276 0.000 1.074 105 Q CA -0.976 54.997 55.803 0.282 0.000 0.808 105 Q CB 3.302 32.178 28.738 0.230 0.000 1.327 105 Q HN 0.332 nan 8.270 nan 0.000 0.441 106 L N 2.087 123.379 121.223 0.116 0.000 2.290 106 L HA 0.148 4.487 4.340 -0.000 0.000 0.284 106 L C 0.629 177.412 176.870 -0.145 0.000 1.078 106 L CA 0.801 55.551 54.840 -0.149 0.000 0.815 106 L CB 1.119 43.096 42.059 -0.136 0.000 1.162 106 L HN 0.813 nan 8.230 nan 0.000 0.435 107 Q N 4.339 123.956 119.800 -0.304 0.000 2.390 107 Q HA 0.258 4.598 4.340 -0.000 0.000 0.216 107 Q C -0.730 174.909 176.000 -0.602 0.000 0.916 107 Q CA 0.411 55.940 55.803 -0.458 0.000 0.911 107 Q CB 0.393 28.715 28.738 -0.694 0.000 1.035 107 Q HN 0.626 nan 8.270 nan 0.000 0.541 108 F N -0.326 119.542 119.950 -0.136 0.000 2.619 108 F HA 0.461 4.988 4.527 -0.000 0.000 0.308 108 F C -0.760 174.964 175.800 -0.127 0.000 1.097 108 F CA -1.233 56.710 58.000 -0.096 0.000 0.953 108 F CB 2.508 41.468 39.000 -0.067 0.000 1.287 108 F HN -0.187 nan 8.300 nan 0.000 0.446 109 S N 2.708 118.499 115.700 0.153 0.000 2.653 109 S HA 0.403 4.873 4.470 -0.000 0.000 0.268 109 S C -2.131 172.523 174.600 0.090 0.000 1.153 109 S CA -0.520 57.724 58.200 0.073 0.000 1.036 109 S CB 1.031 64.237 63.200 0.011 0.000 1.103 109 S HN 0.682 nan 8.310 nan 0.000 0.466 110 N N 3.793 122.563 118.700 0.117 0.000 2.533 110 N HA 0.307 5.047 4.740 -0.000 0.000 0.289 110 N C -0.279 175.313 175.510 0.137 0.000 1.103 110 N CA 0.195 53.313 53.050 0.114 0.000 0.877 110 N CB 1.843 40.390 38.487 0.099 0.000 1.419 110 N HN 0.925 nan 8.380 nan 0.000 0.517 111 D N 1.397 121.838 120.400 0.067 0.000 4.100 111 D HA -0.308 4.332 4.640 -0.000 0.000 0.138 111 D C 1.198 177.463 176.300 -0.057 0.000 0.819 111 D CA 2.784 56.795 54.000 0.017 0.000 1.117 111 D CB -1.030 39.797 40.800 0.046 0.000 0.537 111 D HN 0.566 nan 8.370 nan 0.000 0.539 112 I N -1.588 118.844 120.570 -0.230 0.000 3.564 112 I HA 0.190 4.359 4.170 -0.000 0.000 0.294 112 I C 0.051 175.883 176.117 -0.475 0.000 1.289 112 I CA 0.028 61.087 61.300 -0.401 0.000 1.325 112 I CB -0.273 37.406 38.000 -0.534 0.000 1.039 112 I HN 0.164 nan 8.210 nan 0.000 0.474 113 Y N 1.725 122.044 120.300 0.031 0.000 2.377 113 Y HA 0.675 5.224 4.550 -0.000 0.000 0.339 113 Y C 0.240 176.170 175.900 0.050 0.000 1.011 113 Y CA -0.851 57.273 58.100 0.039 0.000 1.093 113 Y CB 1.661 40.131 38.460 0.018 0.000 1.201 113 Y HN 0.140 nan 8.280 nan 0.000 0.455 114 S N 0.368 116.200 115.700 0.221 0.000 2.550 114 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 114 S C -1.139 173.522 174.600 0.101 0.000 1.145 114 S CA -0.975 57.288 58.200 0.106 0.000 0.852 114 S CB 1.942 65.155 63.200 0.022 0.000 1.119 114 S HN 0.441 nan 8.310 nan 0.000 0.465 115 T N 2.301 116.822 114.554 -0.055 0.000 2.848 115 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 115 T C -1.614 172.882 174.700 -0.339 0.000 0.995 115 T CA -0.291 61.786 62.100 -0.038 0.000 0.970 115 T CB 0.543 69.455 68.868 0.073 0.000 0.976 115 T HN 0.570 nan 8.240 nan 0.000 0.441 116 Y N 0.560 120.798 120.300 -0.102 0.000 2.598 116 Y HA 0.454 5.004 4.550 -0.000 0.000 0.340 116 Y C 0.729 176.495 175.900 -0.223 0.000 1.038 116 Y CA -1.224 56.816 58.100 -0.098 0.000 1.100 116 Y CB 1.261 39.710 38.460 -0.018 0.000 1.281 116 Y HN 0.566 nan 8.280 nan 0.000 0.488 117 H N 2.269 121.387 119.070 0.080 0.000 2.517 117 H HA 0.386 4.941 4.556 -0.000 0.000 0.317 117 H C -1.164 174.089 175.328 -0.125 0.000 1.080 117 H CA -0.574 55.424 56.048 -0.084 0.000 1.301 117 H CB 1.980 31.702 29.762 -0.066 0.000 1.425 117 H HN 0.430 nan 8.280 nan 0.000 0.471 118 L N 3.531 124.633 121.223 -0.202 0.000 2.346 118 L HA 0.425 4.764 4.340 -0.000 0.000 0.276 118 L C -1.566 175.052 176.870 -0.419 0.000 1.006 118 L CA -0.471 54.279 54.840 -0.151 0.000 0.817 118 L CB 0.954 42.973 42.059 -0.066 0.000 1.272 118 L HN 0.318 nan 8.230 nan 0.000 0.421 119 F N 5.283 125.276 119.950 0.071 0.000 2.359 119 F HA 0.557 5.084 4.527 -0.000 0.000 0.369 119 F C -2.049 173.776 175.800 0.041 0.000 1.084 119 F CA -1.726 56.307 58.000 0.055 0.000 1.096 119 F CB 0.775 39.799 39.000 0.041 0.000 1.335 119 F HN 0.413 nan 8.300 nan 0.000 0.457 120 P HA 0.221 nan 4.420 nan 0.000 0.274 120 P C -2.459 174.897 177.300 0.093 0.000 1.246 120 P CA -1.241 61.918 63.100 0.097 0.000 0.795 120 P CB 0.034 31.781 31.700 0.079 0.000 1.006 121 P HA 0.124 nan 4.420 nan 0.000 0.272 121 P C 0.907 178.227 177.300 0.034 0.000 1.230 121 P CA -0.265 62.862 63.100 0.046 0.000 0.788 121 P CB 0.826 32.546 31.700 0.033 0.000 0.949 122 R N 0.891 121.404 120.500 0.023 0.000 2.189 122 R HA -0.291 4.049 4.340 -0.000 0.000 0.252 122 R C 2.143 178.443 176.300 0.001 0.000 1.134 122 R CA 2.168 58.273 56.100 0.009 0.000 0.954 122 R CB -0.633 29.667 30.300 -0.000 0.000 0.890 122 R HN 0.492 nan 8.270 nan 0.000 0.443 123 Q N 0.323 120.124 119.800 0.002 0.000 2.197 123 Q HA -0.179 4.160 4.340 -0.000 0.000 0.207 123 Q C 1.705 177.701 176.000 -0.006 0.000 0.984 123 Q CA 1.575 57.376 55.803 -0.004 0.000 0.869 123 Q CB 0.014 28.754 28.738 0.002 0.000 0.906 123 Q HN 0.401 nan 8.270 nan 0.000 0.426 124 L N 0.675 121.903 121.223 0.007 0.000 2.592 124 L HA 0.042 4.381 4.340 -0.000 0.000 0.227 124 L C 0.922 177.771 176.870 -0.034 0.000 1.127 124 L CA 0.344 55.187 54.840 0.006 0.000 0.884 124 L CB 0.049 42.144 42.059 0.060 0.000 1.065 124 L HN -0.003 nan 8.230 nan 0.000 0.457 125 N N -1.027 117.656 118.700 -0.029 0.000 2.230 125 N HA -0.004 4.736 4.740 -0.000 0.000 0.202 125 N C 0.142 175.616 175.510 -0.061 0.000 1.119 125 N CA 0.007 53.034 53.050 -0.039 0.000 0.851 125 N CB -0.062 38.422 38.487 -0.006 0.000 0.990 125 N HN 0.164 nan 8.380 nan 0.000 0.497 126 D N 1.156 121.513 120.400 -0.072 0.000 2.531 126 D HA -0.050 4.590 4.640 -0.000 0.000 0.239 126 D C -0.459 175.785 176.300 -0.093 0.000 1.144 126 D CA 0.489 54.441 54.000 -0.080 0.000 0.869 126 D CB 0.848 41.597 40.800 -0.085 0.000 1.160 126 D HN -0.201 nan 8.370 nan 0.000 0.484 127 V N 5.114 124.975 119.914 -0.087 0.000 2.398 127 V HA 0.192 4.312 4.120 -0.000 0.000 0.286 127 V C 0.519 176.553 176.094 -0.100 0.000 1.026 127 V CA -0.850 61.394 62.300 -0.093 0.000 0.868 127 V CB 1.670 33.442 31.823 -0.085 0.000 0.982 127 V HN 0.451 nan 8.190 nan 0.000 0.443 128 K N 3.018 123.356 120.400 -0.104 0.000 2.297 128 K HA 0.423 4.742 4.320 -0.000 0.000 0.286 128 K C -0.501 176.024 176.600 -0.124 0.000 1.053 128 K CA -0.068 56.154 56.287 -0.107 0.000 0.940 128 K CB 0.640 33.085 32.500 -0.093 0.000 1.019 128 K HN 0.760 nan 8.250 nan 0.000 0.475 129 T N 3.083 117.562 114.554 -0.125 0.000 2.812 129 T HA 0.273 4.623 4.350 -0.000 0.000 0.282 129 T C -0.972 173.651 174.700 -0.130 0.000 0.990 129 T CA -0.574 61.443 62.100 -0.137 0.000 0.960 129 T CB 1.659 70.448 68.868 -0.131 0.000 0.948 129 T HN 0.502 nan 8.240 nan 0.000 0.438 130 T N 2.645 117.112 114.554 -0.144 0.000 2.829 130 T HA 0.623 4.973 4.350 -0.000 0.000 0.280 130 T C -0.513 174.139 174.700 -0.080 0.000 0.999 130 T CA -0.561 61.470 62.100 -0.115 0.000 0.983 130 T CB 1.426 70.212 68.868 -0.136 0.000 0.968 130 T HN 0.326 nan 8.240 nan 0.000 0.446 131 V N 3.413 123.314 119.914 -0.022 0.000 2.487 131 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 131 V C -0.457 175.699 176.094 0.103 0.000 1.028 131 V CA -0.763 61.580 62.300 0.073 0.000 0.860 131 V CB 1.975 33.869 31.823 0.118 0.000 0.991 131 V HN 0.722 nan 8.190 nan 0.000 0.427 132 V N 5.756 125.748 119.914 0.131 0.000 2.357 132 V HA 0.551 4.671 4.120 -0.000 0.000 0.284 132 V C -1.029 175.168 176.094 0.172 0.000 1.018 132 V CA -0.606 61.740 62.300 0.076 0.000 0.841 132 V CB 1.169 32.983 31.823 -0.015 0.000 0.991 132 V HN 0.816 nan 8.190 nan 0.000 0.437 133 Y N 6.557 126.887 120.300 0.051 0.000 2.348 133 Y HA 0.681 5.231 4.550 -0.000 0.000 0.321 133 Y C -2.828 173.121 175.900 0.082 0.000 1.163 133 Y CA -2.328 55.832 58.100 0.100 0.000 1.070 133 Y CB 1.685 40.318 38.460 0.288 0.000 1.250 133 Y HN 0.594 nan 8.280 nan 0.000 0.425 134 P HA 0.538 nan 4.420 nan 0.000 0.271 134 P C -1.165 176.046 177.300 -0.148 0.000 1.216 134 P CA -0.193 62.680 63.100 -0.378 0.000 0.776 134 P CB 1.007 32.525 31.700 -0.304 0.000 0.881 135 A N 1.867 124.659 122.820 -0.046 0.000 2.290 135 A HA 0.578 4.898 4.320 -0.000 0.000 0.310 135 A C 0.541 178.143 177.584 0.030 0.000 1.202 135 A CA -0.409 51.575 52.037 -0.088 0.000 0.837 135 A CB 0.140 19.133 19.000 -0.012 0.000 1.139 135 A HN 0.636 nan 8.150 nan 0.000 0.509 136 T N -0.347 114.317 114.554 0.185 0.000 2.874 136 T HA 0.327 4.677 4.350 -0.000 0.000 0.281 136 T C 0.952 175.718 174.700 0.109 0.000 0.994 136 T CA 0.096 62.294 62.100 0.163 0.000 1.015 136 T CB 1.023 70.010 68.868 0.199 0.000 1.028 136 T HN 0.616 nan 8.240 nan 0.000 0.523 137 E N 0.974 121.199 120.200 0.042 0.000 2.136 137 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 137 E C 1.894 178.485 176.600 -0.015 0.000 1.019 137 E CA 1.908 58.310 56.400 0.004 0.000 0.819 137 E CB -0.369 29.332 29.700 0.001 0.000 0.739 137 E HN 0.745 nan 8.360 nan 0.000 0.458 138 K N -1.175 119.207 120.400 -0.030 0.000 2.097 138 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 138 K C 2.248 178.727 176.600 -0.203 0.000 1.049 138 K CA 1.535 57.751 56.287 -0.119 0.000 0.933 138 K CB -0.368 32.039 32.500 -0.156 0.000 0.717 138 K HN 0.365 nan 8.250 nan 0.000 0.442 139 H N 0.937 119.938 119.070 -0.115 0.000 2.319 139 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 139 H C 2.065 177.293 175.328 -0.167 0.000 1.092 139 H CA 1.558 57.493 56.048 -0.188 0.000 1.302 139 H CB -0.207 29.569 29.762 0.023 0.000 1.373 139 H HN 0.027 nan 8.280 nan 0.000 0.497 140 L N 0.043 121.309 121.223 0.072 0.000 2.079 140 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 140 L C 2.354 179.223 176.870 -0.002 0.000 1.081 140 L CA 0.986 55.845 54.840 0.032 0.000 0.752 140 L CB -0.336 41.655 42.059 -0.114 0.000 0.896 140 L HN 0.328 nan 8.230 nan 0.000 0.433 141 Q N 0.148 119.912 119.800 -0.060 0.000 2.079 141 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 141 Q C 2.136 178.065 176.000 -0.117 0.000 0.974 141 Q CA 1.343 57.102 55.803 -0.072 0.000 0.840 141 Q CB -0.319 28.373 28.738 -0.077 0.000 0.898 141 Q HN 0.432 nan 8.270 nan 0.000 0.430 142 K N -0.238 120.025 120.400 -0.227 0.000 2.152 142 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 142 K C 1.499 177.933 176.600 -0.276 0.000 1.048 142 K CA 1.175 57.268 56.287 -0.323 0.000 0.933 142 K CB -0.025 32.150 32.500 -0.541 0.000 0.721 142 K HN 0.254 nan 8.250 nan 0.000 0.447 143 Y N 0.180 120.436 120.300 -0.073 0.000 2.510 143 Y HA 0.062 4.612 4.550 -0.000 0.000 0.273 143 Y C 0.610 176.385 175.900 -0.209 0.000 1.119 143 Y CA -1.023 56.975 58.100 -0.169 0.000 1.286 143 Y CB 0.412 38.848 38.460 -0.039 0.000 1.061 143 Y HN 0.052 nan 8.280 nan 0.000 0.542 144 L N 1.825 123.068 121.223 0.033 0.000 2.453 144 L HA 0.121 4.460 4.340 -0.000 0.000 0.272 144 L C 0.409 177.258 176.870 -0.036 0.000 1.182 144 L CA -0.664 54.183 54.840 0.011 0.000 0.858 144 L CB 0.387 42.458 42.059 0.021 0.000 1.120 144 L HN 0.118 nan 8.230 nan 0.000 0.474 145 R N 4.459 124.942 120.500 -0.029 0.000 4.209 145 R HA -0.179 4.161 4.340 -0.000 0.000 0.120 145 R C -0.544 175.740 176.300 -0.027 0.000 0.331 145 R CA 0.498 56.585 56.100 -0.023 0.000 0.776 145 R CB -1.170 29.131 30.300 0.001 0.000 1.228 145 R HN 0.654 nan 8.270 nan 0.000 0.322 146 Q N 1.991 121.768 119.800 -0.039 0.000 2.262 146 Q HA 0.038 4.378 4.340 -0.000 0.000 0.272 146 Q C 0.137 176.124 176.000 -0.022 0.000 1.076 146 Q CA 0.519 56.301 55.803 -0.035 0.000 0.905 146 Q CB 0.812 29.526 28.738 -0.041 0.000 1.182 146 Q HN 0.325 nan 8.270 nan 0.000 0.390 147 D N 4.399 124.788 120.400 -0.019 0.000 2.485 147 D HA 0.290 4.930 4.640 -0.000 0.000 0.256 147 D C -0.594 175.696 176.300 -0.016 0.000 1.141 147 D CA -0.211 53.780 54.000 -0.015 0.000 0.942 147 D CB 0.350 41.143 40.800 -0.012 0.000 1.003 147 D HN 0.420 nan 8.370 nan 0.000 0.507 148 L N 2.141 123.354 121.223 -0.016 0.000 2.399 148 L HA 0.548 4.887 4.340 -0.000 0.000 0.265 148 L C 0.560 177.420 176.870 -0.017 0.000 1.089 148 L CA -0.795 54.036 54.840 -0.015 0.000 0.802 148 L CB 1.115 43.166 42.059 -0.013 0.000 1.180 148 L HN 0.011 nan 8.230 nan 0.000 0.454 149 R N 1.595 122.084 120.500 -0.019 0.000 2.621 149 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 149 R C -1.314 174.958 176.300 -0.046 0.000 0.998 149 R CA -1.058 55.023 56.100 -0.032 0.000 0.895 149 R CB 1.941 32.220 30.300 -0.035 0.000 1.195 149 R HN 0.264 nan 8.270 nan 0.000 0.450 150 L N 2.489 123.677 121.223 -0.060 0.000 2.417 150 L HA 0.411 4.751 4.340 -0.000 0.000 0.268 150 L C -0.121 176.654 176.870 -0.157 0.000 1.158 150 L CA -0.271 54.511 54.840 -0.095 0.000 0.819 150 L CB 0.529 42.546 42.059 -0.070 0.000 1.112 150 L HN 0.568 nan 8.230 nan 0.000 0.458 151 I N 3.265 123.662 120.570 -0.289 0.000 2.686 151 I HA 0.446 4.616 4.170 -0.000 0.000 0.295 151 I C -0.849 175.036 176.117 -0.386 0.000 1.114 151 I CA -0.498 60.604 61.300 -0.331 0.000 1.038 151 I CB 1.716 39.480 38.000 -0.395 0.000 1.238 151 I HN 0.527 nan 8.210 nan 0.000 0.420 152 R N 5.318 125.686 120.500 -0.221 0.000 2.246 152 R HA 0.361 4.701 4.340 -0.000 0.000 0.332 152 R C -0.770 175.478 176.300 -0.086 0.000 0.974 152 R CA -0.640 55.377 56.100 -0.138 0.000 0.837 152 R CB 1.341 31.603 30.300 -0.063 0.000 1.145 152 R HN 0.546 nan 8.270 nan 0.000 0.467 153 E N 3.514 123.703 120.200 -0.019 0.000 2.046 153 E HA 0.067 4.417 4.350 -0.000 0.000 0.279 153 E C -0.208 176.478 176.600 0.144 0.000 0.989 153 E CA -0.347 56.129 56.400 0.128 0.000 0.798 153 E CB 0.968 30.906 29.700 0.396 0.000 1.086 153 E HN 0.559 nan 8.360 nan 0.000 0.399 154 T N 0.947 115.559 114.554 0.098 0.000 2.813 154 T HA 0.165 4.515 4.350 -0.000 0.000 0.297 154 T C 1.413 176.183 174.700 0.116 0.000 1.036 154 T CA -0.128 62.015 62.100 0.072 0.000 1.044 154 T CB 1.397 70.292 68.868 0.044 0.000 0.993 154 T HN 0.459 nan 8.240 nan 0.000 0.535 155 G N 0.462 109.308 108.800 0.077 0.000 2.475 155 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 155 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 155 G C 1.156 176.156 174.900 0.166 0.000 1.125 155 G CA 0.737 45.906 45.100 0.116 0.000 0.755 155 G HN 0.795 nan 8.290 nan 0.000 0.565 156 D N 0.613 121.077 120.400 0.107 0.000 2.162 156 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 156 D C 2.062 178.417 176.300 0.092 0.000 0.967 156 D CA 0.598 54.648 54.000 0.084 0.000 0.840 156 D CB -0.243 40.587 40.800 0.049 0.000 0.972 156 D HN 0.121 nan 8.370 nan 0.000 0.482 157 D N -0.020 120.445 120.400 0.109 0.000 2.133 157 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 157 D C 1.889 178.282 176.300 0.156 0.000 0.997 157 D CA 0.814 54.884 54.000 0.117 0.000 0.840 157 D CB -0.418 40.460 40.800 0.131 0.000 0.947 157 D HN 0.285 nan 8.370 nan 0.000 0.452 158 Y N 1.591 121.961 120.300 0.117 0.000 2.089 158 Y HA -0.150 4.400 4.550 -0.000 0.000 0.282 158 Y C 2.516 178.478 175.900 0.104 0.000 1.139 158 Y CA 1.651 59.838 58.100 0.144 0.000 1.123 158 Y CB -0.349 38.207 38.460 0.160 0.000 0.980 158 Y HN -0.222 nan 8.280 nan 0.000 0.493 159 R N 0.050 120.519 120.500 -0.051 0.000 2.103 159 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 159 R C 1.753 177.984 176.300 -0.116 0.000 1.142 159 R CA 1.856 57.883 56.100 -0.121 0.000 0.960 159 R CB -0.208 30.113 30.300 0.037 0.000 0.858 159 R HN 0.444 nan 8.270 nan 0.000 0.439 160 N N -0.914 117.761 118.700 -0.041 0.000 2.409 160 N HA 0.051 4.790 4.740 -0.000 0.000 0.174 160 N C 1.450 176.962 175.510 0.003 0.000 1.037 160 N CA 0.890 53.931 53.050 -0.015 0.000 0.898 160 N CB 0.554 39.048 38.487 0.012 0.000 1.010 160 N HN 0.244 nan 8.380 nan 0.000 0.445 161 I N -0.589 119.986 120.570 0.007 0.000 3.739 161 I HA 0.023 4.193 4.170 -0.000 0.000 0.272 161 I C 1.453 177.622 176.117 0.086 0.000 1.167 161 I CA 0.583 61.920 61.300 0.062 0.000 1.386 161 I CB -0.423 37.600 38.000 0.039 0.000 1.490 161 I HN -0.100 nan 8.210 nan 0.000 0.452 162 T N 2.442 117.010 114.554 0.023 0.000 2.732 162 T HA -0.035 4.315 4.350 -0.000 0.000 0.261 162 T C 2.036 176.679 174.700 -0.096 0.000 1.040 162 T CA 0.964 63.091 62.100 0.045 0.000 1.145 162 T CB -0.250 68.754 68.868 0.226 0.000 0.866 162 T HN 0.145 nan 8.240 nan 0.000 0.427 163 L N 1.406 122.382 121.223 -0.412 0.000 1.990 163 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 163 L C -0.706 176.040 176.870 -0.206 0.000 1.072 163 L CA 2.040 56.623 54.840 -0.427 0.000 0.755 163 L CB -1.356 40.299 42.059 -0.673 0.000 0.889 163 L HN 0.196 nan 8.230 nan 0.000 0.432 164 P HA -0.159 nan 4.420 nan 0.000 0.217 164 P C 0.451 177.594 177.300 -0.263 0.000 1.148 164 P CA 1.581 64.576 63.100 -0.176 0.000 0.828 164 P CB -0.087 31.529 31.700 -0.140 0.000 0.783 165 H N -2.539 116.469 119.070 -0.103 0.000 2.519 165 H HA 0.165 4.721 4.556 -0.000 0.000 0.289 165 H C 1.448 176.705 175.328 -0.118 0.000 1.040 165 H CA -0.332 55.664 56.048 -0.087 0.000 1.165 165 H CB -0.553 29.174 29.762 -0.059 0.000 1.462 165 H HN -0.038 nan 8.280 nan 0.000 0.555 166 L N 0.601 121.765 121.223 -0.099 0.000 1.970 166 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 166 L C 2.199 178.936 176.870 -0.222 0.000 1.071 166 L CA 1.784 56.493 54.840 -0.217 0.000 0.751 166 L CB -0.255 41.635 42.059 -0.282 0.000 0.889 166 L HN 0.320 nan 8.230 nan 0.000 0.432 167 E N -0.355 119.753 120.200 -0.153 0.000 2.149 167 E HA -0.355 3.995 4.350 -0.000 0.000 0.215 167 E C 2.201 178.753 176.600 -0.080 0.000 1.055 167 E CA 2.258 58.596 56.400 -0.103 0.000 0.870 167 E CB -0.479 29.180 29.700 -0.069 0.000 0.764 167 E HN 0.737 nan 8.360 nan 0.000 0.463 168 S N 0.106 115.774 115.700 -0.053 0.000 2.447 168 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 168 S C 1.739 176.307 174.600 -0.053 0.000 1.006 168 S CA 0.706 58.887 58.200 -0.032 0.000 0.957 168 S CB 0.074 63.280 63.200 0.010 0.000 0.773 168 S HN 0.086 nan 8.310 nan 0.000 0.507 169 Q N 1.702 121.457 119.800 -0.075 0.000 2.378 169 Q HA 0.207 4.546 4.340 -0.000 0.000 0.205 169 Q C 0.892 176.878 176.000 -0.024 0.000 0.954 169 Q CA 0.640 56.406 55.803 -0.062 0.000 0.901 169 Q CB 0.043 28.740 28.738 -0.068 0.000 0.981 169 Q HN 0.798 nan 8.270 nan 0.000 0.483 170 S N -0.537 115.128 115.700 -0.058 0.000 2.509 170 S HA 0.654 5.124 4.470 -0.000 0.000 0.297 170 S C -0.141 174.452 174.600 -0.012 0.000 1.118 170 S CA -0.832 57.391 58.200 0.037 0.000 1.074 170 S CB 1.489 64.672 63.200 -0.030 0.000 1.038 170 S HN 0.112 nan 8.310 nan 0.000 0.498 171 L N 2.231 123.431 121.223 -0.038 0.000 2.352 171 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 171 L C 0.944 177.946 176.870 0.220 0.000 1.034 171 L CA -0.897 53.934 54.840 -0.015 0.000 0.806 171 L CB 1.631 43.556 42.059 -0.223 0.000 1.244 171 L HN 0.910 nan 8.230 nan 0.000 0.447 172 S N 1.580 117.429 115.700 0.249 0.000 2.558 172 S HA 0.043 4.513 4.470 -0.000 0.000 0.291 172 S C 0.580 175.379 174.600 0.332 0.000 1.306 172 S CA -0.306 58.047 58.200 0.256 0.000 1.056 172 S CB 0.098 63.435 63.200 0.228 0.000 0.836 172 S HN 0.524 nan 8.310 nan 0.000 0.504 173 I N 2.022 122.649 120.570 0.096 0.000 3.889 173 I HA 0.332 4.502 4.170 -0.000 0.000 0.332 173 I C 1.590 177.436 176.117 -0.451 0.000 1.493 173 I CA -0.416 60.727 61.300 -0.262 0.000 1.158 173 I CB -0.057 37.685 38.000 -0.430 0.000 1.117 173 I HN 0.585 nan 8.210 nan 0.000 0.411 174 Q N 2.750 122.520 119.800 -0.051 0.000 2.152 174 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 174 Q C 1.974 177.972 176.000 -0.003 0.000 0.985 174 Q CA 2.923 58.758 55.803 0.054 0.000 0.863 174 Q CB -0.418 28.411 28.738 0.151 0.000 0.904 174 Q HN 0.837 nan 8.270 nan 0.000 0.422 175 W N -0.846 120.398 121.300 -0.094 0.000 2.342 175 W HA -0.129 4.531 4.660 -0.000 0.000 0.297 175 W C 1.365 177.778 176.519 -0.177 0.000 1.213 175 W CA 1.111 58.381 57.345 -0.125 0.000 1.251 175 W CB -1.014 28.341 29.460 -0.175 0.000 1.136 175 W HN 0.027 nan 8.180 nan 0.000 0.526 176 V N 1.490 120.666 119.914 -1.229 0.000 2.295 176 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 176 V C 2.407 178.150 176.094 -0.585 0.000 1.049 176 V CA 2.200 63.722 62.300 -1.296 0.000 1.024 176 V CB -1.436 29.374 31.823 -1.689 0.000 0.648 176 V HN 0.146 nan 8.190 nan 0.000 0.447 177 Y N 0.500 120.572 120.300 -0.379 0.000 2.207 177 Y HA -0.224 4.326 4.550 -0.000 0.000 0.287 177 Y C 2.686 178.521 175.900 -0.109 0.000 1.156 177 Y CA 1.152 59.140 58.100 -0.187 0.000 1.182 177 Y CB -0.294 38.101 38.460 -0.108 0.000 0.979 177 Y HN 0.330 nan 8.280 nan 0.000 0.521 178 N N 0.457 119.193 118.700 0.059 0.000 2.188 178 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 178 N C 1.706 177.238 175.510 0.038 0.000 1.018 178 N CA 1.265 54.352 53.050 0.062 0.000 0.858 178 N CB -0.363 38.174 38.487 0.084 0.000 0.989 178 N HN 0.375 nan 8.380 nan 0.000 0.426 179 I N 0.717 121.289 120.570 0.004 0.000 2.163 179 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 179 I C 1.994 178.100 176.117 -0.018 0.000 1.081 179 I CA 0.806 62.103 61.300 -0.005 0.000 1.353 179 I CB -0.207 37.781 38.000 -0.021 0.000 1.054 179 I HN 0.043 nan 8.210 nan 0.000 0.407 180 L N 0.278 121.477 121.223 -0.040 0.000 2.083 180 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 180 L C 1.651 178.589 176.870 0.114 0.000 1.083 180 L CA 1.177 56.029 54.840 0.019 0.000 0.752 180 L CB -0.672 41.417 42.059 0.049 0.000 0.899 180 L HN 0.280 nan 8.230 nan 0.000 0.433 181 D N -0.256 120.191 120.400 0.078 0.000 2.363 181 D HA -0.054 4.586 4.640 -0.000 0.000 0.226 181 D C 0.603 176.926 176.300 0.038 0.000 1.020 181 D CA 0.249 54.283 54.000 0.057 0.000 0.892 181 D CB 0.113 40.938 40.800 0.041 0.000 0.900 181 D HN 0.087 nan 8.370 nan 0.000 0.531 182 K N -0.141 120.280 120.400 0.035 0.000 3.230 182 K HA -0.182 4.138 4.320 -0.000 0.000 0.285 182 K C 0.678 177.290 176.600 0.020 0.000 1.196 182 K CA 0.410 56.709 56.287 0.021 0.000 0.838 182 K CB -1.850 30.657 32.500 0.013 0.000 1.262 182 K HN 0.326 nan 8.250 nan 0.000 0.492 183 K N -0.547 119.870 120.400 0.028 0.000 2.361 183 K HA 0.234 4.554 4.320 -0.000 0.000 0.194 183 K C 0.806 177.426 176.600 0.034 0.000 1.032 183 K CA 0.800 57.104 56.287 0.029 0.000 1.048 183 K CB 0.842 33.363 32.500 0.035 0.000 0.842 183 K HN 0.318 nan 8.250 nan 0.000 0.526 184 A N 0.787 123.630 122.820 0.039 0.000 2.572 184 A HA 0.429 4.748 4.320 -0.000 0.000 0.295 184 A C -0.700 176.907 177.584 0.038 0.000 1.072 184 A CA -0.513 51.548 52.037 0.041 0.000 0.691 184 A CB 1.043 20.080 19.000 0.062 0.000 1.291 184 A HN 0.292 nan 8.150 nan 0.000 0.404 185 E N -0.838 119.379 120.200 0.029 0.000 3.370 185 E HA -0.325 4.025 4.350 -0.000 0.000 0.291 185 E C 1.201 177.811 176.600 0.017 0.000 0.916 185 E CA 0.820 57.236 56.400 0.026 0.000 0.981 185 E CB -1.898 27.831 29.700 0.047 0.000 1.498 185 E HN 1.210 nan 8.360 nan 0.000 0.452 186 A N 1.643 124.469 122.820 0.011 0.000 1.972 186 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 186 A C 1.794 179.375 177.584 -0.005 0.000 1.169 186 A CA 1.877 53.915 52.037 0.002 0.000 0.635 186 A CB -0.282 18.718 19.000 -0.000 0.000 0.810 186 A HN 0.423 nan 8.150 nan 0.000 0.446 187 D N -0.964 119.433 120.400 -0.004 0.000 2.352 187 D HA -0.039 4.601 4.640 -0.000 0.000 0.232 187 D C 1.360 177.658 176.300 -0.004 0.000 1.055 187 D CA 0.343 54.338 54.000 -0.008 0.000 0.891 187 D CB -0.361 40.432 40.800 -0.012 0.000 0.897 187 D HN 0.490 nan 8.370 nan 0.000 0.529 188 R N -0.253 120.251 120.500 0.005 0.000 2.362 188 R HA 0.343 4.683 4.340 -0.000 0.000 0.227 188 R C 0.501 176.823 176.300 0.037 0.000 0.905 188 R CA -0.345 55.767 56.100 0.020 0.000 1.067 188 R CB 0.613 30.926 30.300 0.023 0.000 1.078 188 R HN 0.178 nan 8.270 nan 0.000 0.516 189 I N 1.382 121.962 120.570 0.017 0.000 2.598 189 I HA -0.114 4.056 4.170 -0.000 0.000 0.284 189 I C 1.375 177.507 176.117 0.025 0.000 1.140 189 I CA 0.082 61.389 61.300 0.012 0.000 1.420 189 I CB 1.323 39.303 38.000 -0.033 0.000 1.387 189 I HN -0.063 nan 8.210 nan 0.000 0.553 190 V N 7.421 127.375 119.914 0.067 0.000 2.725 190 V HA 0.021 4.141 4.120 -0.000 0.000 0.247 190 V C 0.172 176.345 176.094 0.132 0.000 1.058 190 V CA 0.975 63.328 62.300 0.089 0.000 1.080 190 V CB -0.226 31.686 31.823 0.148 0.000 0.713 190 V HN 0.636 nan 8.190 nan 0.000 0.465 191 F N -0.176 119.734 119.950 -0.066 0.000 2.665 191 F HA 0.618 5.144 4.527 -0.000 0.000 0.308 191 F C -1.079 174.586 175.800 -0.225 0.000 1.112 191 F CA -0.974 56.952 58.000 -0.123 0.000 0.972 191 F CB 1.663 40.602 39.000 -0.103 0.000 1.295 191 F HN -0.034 nan 8.300 nan 0.000 0.440 192 E N 3.999 123.345 120.200 -1.423 0.000 2.291 192 E HA 0.245 4.594 4.350 -0.000 0.000 0.276 192 E C -2.018 173.775 176.600 -1.344 0.000 0.896 192 E CA -0.814 54.936 56.400 -1.083 0.000 0.774 192 E CB 1.409 30.812 29.700 -0.494 0.000 1.227 192 E HN 0.579 nan 8.360 nan 0.000 0.413 193 N N 5.781 123.879 118.700 -1.004 0.000 2.439 193 N HA 0.219 4.959 4.740 -0.000 0.000 0.249 193 N C -1.946 173.470 175.510 -0.156 0.000 1.003 193 N CA -2.151 50.653 53.050 -0.410 0.000 0.942 193 N CB 1.490 39.921 38.487 -0.094 0.000 1.115 193 N HN 0.368 nan 8.380 nan 0.000 0.505 194 P HA 0.034 nan 4.420 nan 0.000 0.245 194 P C -0.302 176.895 177.300 -0.171 0.000 1.212 194 P CA 0.011 63.017 63.100 -0.156 0.000 0.774 194 P CB 0.070 31.669 31.700 -0.168 0.000 0.999 195 D N 2.382 122.763 120.400 -0.033 0.000 2.472 195 D HA -0.026 4.613 4.640 -0.000 0.000 0.248 195 D C -0.902 175.399 176.300 0.001 0.000 1.174 195 D CA -1.201 52.799 54.000 -0.001 0.000 0.883 195 D CB 0.819 41.661 40.800 0.070 0.000 1.149 195 D HN 0.089 nan 8.370 nan 0.000 0.488 196 P HA -0.118 nan 4.420 nan 0.000 0.226 196 P C 0.725 178.076 177.300 0.085 0.000 1.153 196 P CA 0.704 63.801 63.100 -0.006 0.000 0.777 196 P CB 0.287 31.968 31.700 -0.032 0.000 0.794 197 S N -1.159 114.595 115.700 0.090 0.000 2.599 197 S HA 0.074 4.544 4.470 -0.000 0.000 0.236 197 S C 1.226 175.917 174.600 0.151 0.000 1.077 197 S CA 0.071 58.339 58.200 0.114 0.000 0.906 197 S CB -0.335 62.913 63.200 0.081 0.000 0.804 197 S HN -0.144 nan 8.310 nan 0.000 0.497 198 D N 1.577 122.071 120.400 0.157 0.000 2.395 198 D HA 0.334 4.974 4.640 -0.000 0.000 0.213 198 D C 0.761 177.232 176.300 0.285 0.000 1.110 198 D CA 0.192 54.307 54.000 0.192 0.000 0.835 198 D CB 0.606 41.503 40.800 0.162 0.000 0.965 198 D HN 0.477 nan 8.370 nan 0.000 0.505 199 G N 0.520 109.498 108.800 0.297 0.000 2.511 199 G HA2 0.596 4.556 3.960 -0.000 0.000 0.316 199 G HA3 0.596 4.556 3.960 -0.000 0.000 0.316 199 G C -0.585 174.607 174.900 0.485 0.000 1.210 199 G CA -0.607 44.714 45.100 0.368 0.000 0.969 199 G HN 0.119 nan 8.290 nan 0.000 0.492 200 F N -2.695 117.359 119.950 0.174 0.000 2.770 200 F HA 0.648 5.175 4.527 -0.000 0.000 0.313 200 F C -1.544 174.208 175.800 -0.079 0.000 1.154 200 F CA -1.402 56.600 58.000 0.003 0.000 0.923 200 F CB 1.256 40.307 39.000 0.085 0.000 1.301 200 F HN 0.477 nan 8.300 nan 0.000 0.449 201 V N 2.432 122.298 119.914 -0.081 0.000 2.604 201 V HA 0.621 4.741 4.120 -0.000 0.000 0.305 201 V C -1.258 174.905 176.094 0.116 0.000 1.043 201 V CA -0.688 61.517 62.300 -0.159 0.000 0.888 201 V CB 1.759 33.471 31.823 -0.185 0.000 0.995 201 V HN 0.822 nan 8.190 nan 0.000 0.429 202 L N 7.315 128.600 121.223 0.104 0.000 2.298 202 L HA 0.721 5.060 4.340 -0.000 0.000 0.284 202 L C -0.589 176.352 176.870 0.117 0.000 1.013 202 L CA 0.017 54.967 54.840 0.182 0.000 0.824 202 L CB 1.056 43.256 42.059 0.236 0.000 1.221 202 L HN 0.607 nan 8.230 nan 0.000 0.418 203 I N 2.681 123.329 120.570 0.129 0.000 2.969 203 I HA 0.684 4.854 4.170 -0.000 0.000 0.307 203 I C -2.763 173.466 176.117 0.185 0.000 1.149 203 I CA -2.679 58.702 61.300 0.135 0.000 1.008 203 I CB 1.454 39.522 38.000 0.112 0.000 1.232 203 I HN 0.332 nan 8.210 nan 0.000 0.435 204 P HA 0.124 nan 4.420 nan 0.000 0.266 204 P C -0.768 176.660 177.300 0.213 0.000 1.195 204 P CA 0.327 63.626 63.100 0.331 0.000 0.768 204 P CB 0.408 32.275 31.700 0.277 0.000 0.838 205 D N 1.296 121.836 120.400 0.232 0.000 2.339 205 D HA 0.032 4.672 4.640 -0.000 0.000 0.245 205 D C 1.359 177.638 176.300 -0.034 0.000 1.115 205 D CA -0.224 53.788 54.000 0.021 0.000 0.917 205 D CB 0.533 41.206 40.800 -0.211 0.000 1.192 205 D HN 0.231 nan 8.370 nan 0.000 0.428 206 L N 2.957 124.095 121.223 -0.142 0.000 2.051 206 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 206 L C 1.708 178.514 176.870 -0.106 0.000 1.076 206 L CA 1.611 56.360 54.840 -0.152 0.000 0.758 206 L CB -0.123 41.791 42.059 -0.241 0.000 0.890 206 L HN 0.468 nan 8.230 nan 0.000 0.433 207 K N -1.463 118.852 120.400 -0.142 0.000 2.439 207 K HA -0.134 4.186 4.320 -0.000 0.000 0.197 207 K C 0.073 176.703 176.600 0.050 0.000 1.041 207 K CA 0.180 56.423 56.287 -0.073 0.000 0.970 207 K CB -0.091 32.342 32.500 -0.112 0.000 0.773 207 K HN 0.274 nan 8.250 nan 0.000 0.479 208 W N 3.326 124.538 121.300 -0.146 0.000 2.361 208 W HA 0.112 4.772 4.660 -0.000 0.000 0.309 208 W C 0.473 176.940 176.519 -0.087 0.000 1.122 208 W CA -1.606 55.681 57.345 -0.096 0.000 1.208 208 W CB 0.544 29.973 29.460 -0.052 0.000 1.246 208 W HN 0.039 nan 8.180 nan 0.000 0.490 209 N N 3.132 121.701 118.700 -0.218 0.000 2.398 209 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 209 N C 0.217 175.348 175.510 -0.631 0.000 1.122 209 N CA 0.655 53.504 53.050 -0.336 0.000 0.866 209 N CB -0.154 38.216 38.487 -0.195 0.000 0.970 209 N HN 0.763 nan 8.380 nan 0.000 0.462 210 Q N -1.843 117.098 119.800 -1.432 0.000 2.460 210 Q HA -0.189 4.151 4.340 -0.000 0.000 0.248 210 Q C 0.007 175.567 176.000 -0.734 0.000 0.847 210 Q CA 1.033 55.857 55.803 -1.631 0.000 1.214 210 Q CB -1.327 26.802 28.738 -1.016 0.000 1.523 210 Q HN 0.386 nan 8.270 nan 0.000 0.602 211 Q N -0.027 119.517 119.800 -0.426 0.000 2.356 211 Q HA 0.067 4.407 4.340 -0.000 0.000 0.205 211 Q C 0.592 176.570 176.000 -0.037 0.000 0.901 211 Q CA 0.840 56.536 55.803 -0.178 0.000 0.938 211 Q CB 0.708 29.367 28.738 -0.131 0.000 1.081 211 Q HN 0.599 nan 8.270 nan 0.000 0.517 212 Q N -1.180 118.662 119.800 0.070 0.000 2.575 212 Q HA 0.252 4.592 4.340 -0.000 0.000 0.290 212 Q C -0.167 176.016 176.000 0.305 0.000 0.963 212 Q CA -0.485 55.412 55.803 0.157 0.000 0.783 212 Q CB 0.416 29.218 28.738 0.108 0.000 1.467 212 Q HN 0.059 nan 8.270 nan 0.000 0.402 213 L N 0.482 121.826 121.223 0.202 0.000 2.567 213 L HA 0.065 4.405 4.340 -0.000 0.000 0.225 213 L C 0.920 177.798 176.870 0.013 0.000 1.119 213 L CA 0.268 55.191 54.840 0.137 0.000 0.871 213 L CB 0.034 42.160 42.059 0.111 0.000 1.036 213 L HN 0.577 nan 8.230 nan 0.000 0.459 214 D N 1.005 121.425 120.400 0.033 0.000 2.219 214 D HA -0.148 4.492 4.640 -0.000 0.000 0.205 214 D C 0.562 176.765 176.300 -0.163 0.000 0.970 214 D CA 1.234 55.226 54.000 -0.013 0.000 0.851 214 D CB 0.044 40.866 40.800 0.036 0.000 0.943 214 D HN 0.527 nan 8.370 nan 0.000 0.488 215 D N 0.290 120.478 120.400 -0.353 0.000 2.696 215 D HA 0.055 4.695 4.640 -0.000 0.000 0.269 215 D C 0.665 176.389 176.300 -0.959 0.000 1.319 215 D CA -0.546 52.859 54.000 -0.992 0.000 0.826 215 D CB -0.706 39.351 40.800 -1.237 0.000 1.086 215 D HN 0.089 nan 8.370 nan 0.000 0.481 216 L N 1.013 121.726 121.223 -0.849 0.000 2.593 216 L HA 0.052 4.392 4.340 -0.000 0.000 0.287 216 L C -1.136 175.103 176.870 -1.051 0.000 1.243 216 L CA 0.551 54.483 54.840 -1.513 0.000 0.890 216 L CB 0.189 41.720 42.059 -0.879 0.000 1.134 216 L HN 0.250 nan 8.230 nan 0.000 0.502 217 Y N 5.102 124.553 120.300 -1.415 0.000 2.313 217 Y HA 0.470 5.020 4.550 -0.000 0.000 0.320 217 Y C -1.423 174.360 175.900 -0.196 0.000 1.171 217 Y CA -1.142 56.683 58.100 -0.458 0.000 1.093 217 Y CB 1.105 39.469 38.460 -0.161 0.000 1.224 217 Y HN 0.509 nan 8.280 nan 0.000 0.421 218 L N 5.804 127.176 121.223 0.250 0.000 2.323 218 L HA 0.640 4.980 4.340 -0.000 0.000 0.265 218 L C -1.126 175.927 176.870 0.305 0.000 1.012 218 L CA -0.878 54.114 54.840 0.255 0.000 0.820 218 L CB 2.012 44.133 42.059 0.104 0.000 1.334 218 L HN 0.576 nan 8.230 nan 0.000 0.427 219 I N 1.070 121.764 120.570 0.207 0.000 2.569 219 I HA 0.795 4.965 4.170 -0.000 0.000 0.296 219 I C -0.795 175.436 176.117 0.189 0.000 1.028 219 I CA -0.449 60.944 61.300 0.156 0.000 1.082 219 I CB 1.854 39.895 38.000 0.067 0.000 1.264 219 I HN 0.591 nan 8.210 nan 0.000 0.429 220 A N 8.140 131.103 122.820 0.239 0.000 2.318 220 A HA 0.813 5.133 4.320 -0.000 0.000 0.317 220 A C -0.802 176.903 177.584 0.202 0.000 1.159 220 A CA -0.547 51.657 52.037 0.278 0.000 0.799 220 A CB 0.463 19.657 19.000 0.322 0.000 1.194 220 A HN 0.671 nan 8.150 nan 0.000 0.479 221 I N 0.483 121.161 120.570 0.179 0.000 2.474 221 I HA 0.606 4.775 4.170 -0.000 0.000 0.294 221 I C 0.183 176.400 176.117 0.166 0.000 1.005 221 I CA -0.935 60.430 61.300 0.107 0.000 1.113 221 I CB 1.340 39.276 38.000 -0.106 0.000 1.289 221 I HN 0.673 nan 8.210 nan 0.000 0.436 222 C N 3.152 122.591 119.300 0.232 0.000 2.604 222 C HA 0.343 4.803 4.460 -0.000 0.000 0.396 222 C C 1.657 176.781 174.990 0.222 0.000 1.282 222 C CA -0.318 58.834 59.018 0.223 0.000 2.292 222 C CB 0.274 28.086 27.740 0.119 0.000 2.633 222 C HN 0.876 nan 8.230 nan 0.000 0.620 223 H N 0.358 119.559 119.070 0.219 0.000 2.423 223 H HA 0.031 4.587 4.556 -0.000 0.000 0.297 223 H C 1.295 176.726 175.328 0.170 0.000 1.075 223 H CA 1.464 57.612 56.048 0.168 0.000 1.342 223 H CB 0.002 29.825 29.762 0.102 0.000 1.395 223 H HN 0.664 nan 8.280 nan 0.000 0.530 224 R N 1.597 122.240 120.500 0.238 0.000 2.442 224 R HA 0.095 4.435 4.340 -0.000 0.000 0.291 224 R C -0.224 176.118 176.300 0.069 0.000 1.069 224 R CA -0.144 56.044 56.100 0.146 0.000 1.022 224 R CB 0.542 30.910 30.300 0.113 0.000 0.976 224 R HN 0.117 nan 8.270 nan 0.000 0.443 225 R N 1.568 122.136 120.500 0.113 0.000 2.528 225 R HA 0.274 4.613 4.340 -0.000 0.000 0.271 225 R C 0.728 177.048 176.300 0.033 0.000 1.056 225 R CA 0.646 56.818 56.100 0.119 0.000 1.117 225 R CB 1.238 31.675 30.300 0.228 0.000 1.085 225 R HN 0.959 nan 8.270 nan 0.000 0.530 226 G N 1.240 110.055 108.800 0.024 0.000 2.159 226 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 226 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 226 G C 0.085 174.975 174.900 -0.018 0.000 0.977 226 G CA -0.254 44.865 45.100 0.033 0.000 0.652 226 G HN 0.486 nan 8.290 nan 0.000 0.531 227 I N 0.992 121.482 120.570 -0.134 0.000 2.281 227 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 227 I C 1.718 177.771 176.117 -0.105 0.000 1.085 227 I CA -0.649 60.554 61.300 -0.161 0.000 1.257 227 I CB 0.821 38.636 38.000 -0.307 0.000 1.430 227 I HN 0.046 nan 8.210 nan 0.000 0.489 228 R N 3.074 123.590 120.500 0.026 0.000 2.090 228 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 228 R C 0.610 177.007 176.300 0.161 0.000 1.110 228 R CA 1.042 57.244 56.100 0.171 0.000 0.973 228 R CB 0.046 30.519 30.300 0.288 0.000 0.869 228 R HN 0.819 nan 8.270 nan 0.000 0.440 229 S N -2.445 113.298 115.700 0.071 0.000 2.656 229 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 229 S C 0.307 174.846 174.600 -0.101 0.000 1.132 229 S CA -0.887 57.336 58.200 0.039 0.000 0.819 229 S CB 0.360 63.707 63.200 0.246 0.000 1.119 229 S HN -0.070 nan 8.310 nan 0.000 0.476 230 L N 1.696 122.808 121.223 -0.185 0.000 2.085 230 L HA -0.113 4.227 4.340 -0.000 0.000 0.218 230 L C 2.818 179.451 176.870 -0.395 0.000 1.080 230 L CA 2.003 56.574 54.840 -0.449 0.000 0.776 230 L CB -0.973 40.693 42.059 -0.655 0.000 0.891 230 L HN 0.725 nan 8.230 nan 0.000 0.437 231 R N -0.736 119.548 120.500 -0.360 0.000 2.193 231 R HA -0.133 4.206 4.340 -0.000 0.000 0.229 231 R C 1.195 177.430 176.300 -0.107 0.000 1.110 231 R CA 1.271 57.168 56.100 -0.338 0.000 0.988 231 R CB -0.532 29.275 30.300 -0.821 0.000 0.871 231 R HN 0.474 nan 8.270 nan 0.000 0.458 232 D N 0.515 120.878 120.400 -0.061 0.000 2.340 232 D HA 0.074 4.714 4.640 -0.000 0.000 0.220 232 D C 0.456 176.789 176.300 0.055 0.000 1.039 232 D CA 0.305 54.320 54.000 0.024 0.000 0.866 232 D CB 0.194 41.001 40.800 0.011 0.000 0.913 232 D HN 0.108 nan 8.370 nan 0.000 0.523 233 L N 1.144 122.365 121.223 -0.003 0.000 2.367 233 L HA 0.216 4.556 4.340 -0.000 0.000 0.275 233 L C 0.960 177.995 176.870 0.275 0.000 1.129 233 L CA 0.031 54.942 54.840 0.119 0.000 0.839 233 L CB 1.008 43.012 42.059 -0.091 0.000 1.133 233 L HN -0.052 nan 8.230 nan 0.000 0.453 234 T N -0.622 114.174 114.554 0.403 0.000 2.865 234 T HA 0.420 4.770 4.350 -0.000 0.000 0.294 234 T C -2.333 172.402 174.700 0.057 0.000 1.119 234 T CA -1.869 60.318 62.100 0.145 0.000 1.007 234 T CB 2.037 70.922 68.868 0.027 0.000 1.225 234 T HN 0.170 nan 8.240 nan 0.000 0.515 235 P HA -0.053 nan 4.420 nan 0.000 0.220 235 P C 1.207 178.475 177.300 -0.054 0.000 1.144 235 P CA 0.848 63.951 63.100 0.005 0.000 0.800 235 P CB 0.105 31.810 31.700 0.008 0.000 0.772 236 E N -0.918 119.184 120.200 -0.163 0.000 2.265 236 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 236 E C 1.121 177.575 176.600 -0.243 0.000 0.996 236 E CA 0.822 57.086 56.400 -0.226 0.000 0.832 236 E CB -0.135 29.363 29.700 -0.337 0.000 0.756 236 E HN 0.440 nan 8.360 nan 0.000 0.491 237 H N -0.224 118.859 119.070 0.023 0.000 2.539 237 H HA 0.040 4.596 4.556 -0.000 0.000 0.267 237 H C 2.085 177.422 175.328 0.016 0.000 0.982 237 H CA 0.194 56.251 56.048 0.015 0.000 1.146 237 H CB 0.182 29.941 29.762 -0.005 0.000 1.382 237 H HN 0.239 nan 8.280 nan 0.000 0.577 238 L N 0.940 122.215 121.223 0.085 0.000 2.013 238 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 238 L C -0.349 176.565 176.870 0.074 0.000 1.073 238 L CA 1.591 56.472 54.840 0.069 0.000 0.753 238 L CB -1.260 40.829 42.059 0.050 0.000 0.890 238 L HN 0.237 nan 8.230 nan 0.000 0.432 239 P HA -0.195 nan 4.420 nan 0.000 0.217 239 P C 1.629 178.995 177.300 0.111 0.000 1.150 239 P CA 1.028 64.182 63.100 0.091 0.000 0.832 239 P CB 0.027 31.776 31.700 0.082 0.000 0.787 240 L N -0.637 120.656 121.223 0.117 0.000 1.994 240 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 240 L C 2.137 179.034 176.870 0.045 0.000 1.071 240 L CA 1.908 56.822 54.840 0.122 0.000 0.745 240 L CB -1.522 40.621 42.059 0.139 0.000 0.892 240 L HN -0.136 nan 8.230 nan 0.000 0.431 241 L N -0.698 120.538 121.223 0.022 0.000 2.042 241 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 241 L C 2.804 179.628 176.870 -0.077 0.000 1.076 241 L CA 1.555 56.364 54.840 -0.051 0.000 0.749 241 L CB -0.583 41.453 42.059 -0.038 0.000 0.893 241 L HN 0.263 nan 8.230 nan 0.000 0.432 242 R N -0.342 120.160 120.500 0.004 0.000 2.092 242 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 242 R C 2.144 178.486 176.300 0.070 0.000 1.119 242 R CA 1.244 57.377 56.100 0.054 0.000 0.970 242 R CB -0.324 30.085 30.300 0.181 0.000 0.864 242 R HN 0.381 nan 8.270 nan 0.000 0.440 243 N N 0.807 119.563 118.700 0.094 0.000 2.142 243 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 243 N C 1.830 177.327 175.510 -0.021 0.000 1.023 243 N CA 1.043 54.203 53.050 0.183 0.000 0.852 243 N CB -0.129 38.560 38.487 0.336 0.000 0.998 243 N HN 0.145 nan 8.380 nan 0.000 0.424 244 I N 0.583 120.936 120.570 -0.362 0.000 2.091 244 I HA -0.299 3.870 4.170 -0.000 0.000 0.239 244 I C 2.225 178.205 176.117 -0.228 0.000 1.061 244 I CA 0.977 61.806 61.300 -0.784 0.000 1.317 244 I CB -0.259 37.406 38.000 -0.558 0.000 1.031 244 I HN 0.101 nan 8.210 nan 0.000 0.401 245 L N 0.281 121.377 121.223 -0.211 0.000 2.017 245 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 245 L C 2.396 179.159 176.870 -0.179 0.000 1.073 245 L CA 2.155 56.847 54.840 -0.247 0.000 0.745 245 L CB -0.777 40.965 42.059 -0.528 0.000 0.894 245 L HN 0.256 nan 8.230 nan 0.000 0.432 246 H N -1.883 117.218 119.070 0.052 0.000 2.399 246 H HA 0.050 4.606 4.556 -0.000 0.000 0.300 246 H C 2.141 177.484 175.328 0.024 0.000 1.048 246 H CA 1.104 57.179 56.048 0.045 0.000 1.370 246 H CB 0.102 29.884 29.762 0.034 0.000 1.428 246 H HN 0.426 nan 8.280 nan 0.000 0.534 247 Q N 0.152 120.033 119.800 0.136 0.000 2.172 247 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 247 Q C 2.529 178.463 176.000 -0.110 0.000 0.964 247 Q CA 0.849 56.641 55.803 -0.018 0.000 0.855 247 Q CB 0.083 28.899 28.738 0.130 0.000 0.918 247 Q HN 0.534 nan 8.270 nan 0.000 0.444 248 G N 1.211 110.057 108.800 0.077 0.000 2.459 248 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 248 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 248 G C 1.273 176.091 174.900 -0.135 0.000 1.183 248 G CA 0.665 45.688 45.100 -0.128 0.000 0.776 248 G HN 0.287 nan 8.290 nan 0.000 0.552 249 Q N -0.309 119.550 119.800 0.098 0.000 2.084 249 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 249 Q C 2.448 178.458 176.000 0.018 0.000 0.978 249 Q CA 1.489 57.361 55.803 0.115 0.000 0.844 249 Q CB -0.124 28.710 28.738 0.161 0.000 0.898 249 Q HN 0.530 nan 8.270 nan 0.000 0.426 250 E N 0.689 120.871 120.200 -0.030 0.000 2.106 250 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 250 E C 1.709 178.236 176.600 -0.123 0.000 0.984 250 E CA 1.259 57.618 56.400 -0.069 0.000 0.806 250 E CB -0.163 29.479 29.700 -0.096 0.000 0.750 250 E HN 0.332 nan 8.360 nan 0.000 0.458 251 A N 0.305 122.997 122.820 -0.214 0.000 1.930 251 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 251 A C 2.293 179.842 177.584 -0.058 0.000 1.175 251 A CA 1.230 53.156 52.037 -0.186 0.000 0.627 251 A CB -0.541 18.323 19.000 -0.227 0.000 0.815 251 A HN 0.349 nan 8.150 nan 0.000 0.443 252 I N -0.784 119.780 120.570 -0.009 0.000 2.315 252 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 252 I C 2.388 178.576 176.117 0.118 0.000 1.117 252 I CA 0.959 62.348 61.300 0.148 0.000 1.404 252 I CB -0.169 37.907 38.000 0.126 0.000 1.071 252 I HN 0.416 nan 8.210 nan 0.000 0.419 253 L N 0.471 121.717 121.223 0.038 0.000 2.012 253 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 253 L C 2.495 179.360 176.870 -0.008 0.000 1.073 253 L CA 1.932 56.780 54.840 0.013 0.000 0.748 253 L CB -0.678 41.377 42.059 -0.008 0.000 0.891 253 L HN 0.216 nan 8.230 nan 0.000 0.431 254 Q N -0.588 119.190 119.800 -0.037 0.000 2.123 254 Q HA -0.186 4.154 4.340 -0.000 0.000 0.199 254 Q C 2.450 178.392 176.000 -0.095 0.000 0.966 254 Q CA 1.406 57.177 55.803 -0.054 0.000 0.845 254 Q CB -0.303 28.403 28.738 -0.053 0.000 0.907 254 Q HN 0.419 nan 8.270 nan 0.000 0.439 255 R N -0.160 120.235 120.500 -0.174 0.000 2.100 255 R HA -0.055 4.285 4.340 -0.000 0.000 0.220 255 R C 0.986 177.024 176.300 -0.437 0.000 1.091 255 R CA 1.364 57.231 56.100 -0.388 0.000 0.986 255 R CB -0.153 29.757 30.300 -0.649 0.000 0.888 255 R HN 0.272 nan 8.270 nan 0.000 0.444 256 Y N -0.773 119.549 120.300 0.037 0.000 2.500 256 Y HA 0.386 4.935 4.550 -0.000 0.000 0.246 256 Y C 0.126 176.039 175.900 0.023 0.000 1.146 256 Y CA -0.333 57.798 58.100 0.052 0.000 1.230 256 Y CB 0.623 39.130 38.460 0.078 0.000 1.214 256 Y HN -0.094 nan 8.280 nan 0.000 0.526 257 R N -0.381 120.178 120.500 0.097 0.000 3.951 257 R HA -0.230 4.110 4.340 -0.000 0.000 0.352 257 R C -0.043 176.257 176.300 -0.000 0.000 1.178 257 R CA 0.884 57.007 56.100 0.037 0.000 0.949 257 R CB -2.064 28.258 30.300 0.037 0.000 1.452 257 R HN 0.357 nan 8.270 nan 0.000 0.540 258 M N 1.746 121.362 119.600 0.026 0.000 2.113 258 M HA 0.249 4.729 4.480 -0.000 0.000 0.352 258 M C -0.056 176.163 176.300 -0.135 0.000 1.170 258 M CA -0.200 55.050 55.300 -0.083 0.000 1.053 258 M CB 0.790 33.400 32.600 0.018 0.000 1.601 258 M HN -0.048 nan 8.290 nan 0.000 0.459 259 K N 2.589 122.788 120.400 -0.336 0.000 2.219 259 K HA 0.219 4.539 4.320 -0.000 0.000 0.258 259 K C 1.173 177.745 176.600 -0.046 0.000 1.008 259 K CA 0.196 56.371 56.287 -0.187 0.000 0.928 259 K CB 0.536 32.912 32.500 -0.206 0.000 0.983 259 K HN 0.943 nan 8.250 nan 0.000 0.484 260 G N 1.352 110.172 108.800 0.032 0.000 2.422 260 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 260 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 260 G C 0.863 175.828 174.900 0.109 0.000 1.140 260 G CA 0.899 46.048 45.100 0.082 0.000 0.775 260 G HN 0.838 nan 8.290 nan 0.000 0.545 261 D N -0.237 120.246 120.400 0.138 0.000 2.363 261 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 261 D C 0.991 177.437 176.300 0.243 0.000 1.020 261 D CA 0.330 54.425 54.000 0.158 0.000 0.892 261 D CB -0.507 40.376 40.800 0.138 0.000 0.900 261 D HN 0.329 nan 8.370 nan 0.000 0.531 262 H N -0.615 118.472 119.070 0.028 0.000 2.549 262 H HA 0.445 5.001 4.556 -0.000 0.000 0.279 262 H C -0.072 175.268 175.328 0.019 0.000 1.018 262 H CA -0.262 55.800 56.048 0.024 0.000 1.175 262 H CB 0.253 30.032 29.762 0.028 0.000 1.485 262 H HN 0.111 nan 8.280 nan 0.000 0.543 263 L N 0.308 121.612 121.223 0.134 0.000 2.354 263 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 263 L C 0.083 176.971 176.870 0.030 0.000 1.005 263 L CA -0.968 53.919 54.840 0.079 0.000 0.819 263 L CB 2.624 44.746 42.059 0.105 0.000 1.311 263 L HN -0.015 nan 8.230 nan 0.000 0.423 264 R N 2.253 122.758 120.500 0.009 0.000 2.371 264 R HA 0.607 4.947 4.340 -0.000 0.000 0.312 264 R C -1.977 174.328 176.300 0.008 0.000 0.980 264 R CA -0.393 55.717 56.100 0.016 0.000 0.867 264 R CB 1.531 31.845 30.300 0.023 0.000 1.163 264 R HN 0.451 nan 8.270 nan 0.000 0.492 265 V N 6.602 126.457 119.914 -0.099 0.000 2.409 265 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 265 V C -1.070 174.892 176.094 -0.220 0.000 1.020 265 V CA -0.629 61.426 62.300 -0.409 0.000 0.848 265 V CB 0.934 32.363 31.823 -0.658 0.000 0.990 265 V HN 0.778 nan 8.190 nan 0.000 0.430 266 Y N 3.719 123.806 120.300 -0.355 0.000 2.689 266 Y HA 0.884 5.433 4.550 -0.000 0.000 0.333 266 Y C -1.621 174.137 175.900 -0.236 0.000 1.208 266 Y CA -1.683 56.265 58.100 -0.253 0.000 1.055 266 Y CB 1.273 39.595 38.460 -0.231 0.000 1.304 266 Y HN 0.365 nan 8.280 nan 0.000 0.455 267 L N 1.066 122.297 121.223 0.014 0.000 2.301 267 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 267 L C -0.737 176.161 176.870 0.047 0.000 1.016 267 L CA -0.829 53.972 54.840 -0.065 0.000 0.821 267 L CB 1.779 43.813 42.059 -0.042 0.000 1.346 267 L HN 0.780 nan 8.230 nan 0.000 0.429 268 H N -0.553 118.556 119.070 0.065 0.000 2.463 268 H HA 0.472 5.028 4.556 -0.000 0.000 0.332 268 H C -1.613 173.785 175.328 0.117 0.000 1.127 268 H CA -0.358 55.745 56.048 0.092 0.000 1.238 268 H CB 1.565 31.316 29.762 -0.020 0.000 1.478 268 H HN 0.470 nan 8.280 nan 0.000 0.499 269 Y N 3.049 123.448 120.300 0.165 0.000 2.331 269 Y HA 0.204 4.754 4.550 -0.000 0.000 0.326 269 Y C -1.673 174.188 175.900 -0.066 0.000 1.020 269 Y CA -1.065 57.008 58.100 -0.045 0.000 1.136 269 Y CB 0.618 39.002 38.460 -0.128 0.000 1.157 269 Y HN 0.451 nan 8.280 nan 0.000 0.444 270 L N 8.429 129.216 121.223 -0.727 0.000 2.397 270 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 270 L C -1.978 174.636 176.870 -0.425 0.000 1.148 270 L CA -2.275 52.022 54.840 -0.904 0.000 0.825 270 L CB 0.018 41.607 42.059 -0.784 0.000 1.117 270 L HN 0.512 nan 8.230 nan 0.000 0.456 271 P HA 0.224 nan 4.420 nan 0.000 0.276 271 P C -0.178 176.881 177.300 -0.402 0.000 1.261 271 P CA -0.402 62.526 63.100 -0.287 0.000 0.800 271 P CB 0.927 32.439 31.700 -0.313 0.000 1.066 272 S N -1.002 114.541 115.700 -0.262 0.000 2.439 272 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 272 S C 0.138 174.434 174.600 -0.507 0.000 1.029 272 S CA 0.777 58.725 58.200 -0.420 0.000 0.946 272 S CB -0.487 62.359 63.200 -0.591 0.000 0.797 272 S HN 0.463 nan 8.310 nan 0.000 0.504 273 Y N 0.343 120.635 120.300 -0.014 0.000 2.334 273 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 273 Y C -0.666 175.190 175.900 -0.073 0.000 0.960 273 Y CA -1.031 57.124 58.100 0.092 0.000 1.164 273 Y CB 0.485 39.113 38.460 0.279 0.000 1.155 273 Y HN 0.054 nan 8.280 nan 0.000 0.478 274 Y N 2.804 123.202 120.300 0.163 0.000 2.830 274 Y HA 0.149 4.699 4.550 -0.000 0.000 0.371 274 Y C 0.018 175.992 175.900 0.123 0.000 1.246 274 Y CA -0.263 57.902 58.100 0.109 0.000 1.890 274 Y CB -0.442 38.059 38.460 0.067 0.000 1.995 274 Y HN 0.574 nan 8.280 nan 0.000 0.430 275 H N 0.038 119.125 119.070 0.029 0.000 2.840 275 H HA 0.329 4.885 4.556 -0.000 0.000 0.340 275 H C -0.947 174.353 175.328 -0.047 0.000 1.004 275 H CA -1.314 54.709 56.048 -0.042 0.000 1.288 275 H CB 0.963 30.612 29.762 -0.188 0.000 1.607 275 H HN 0.289 nan 8.280 nan 0.000 0.522 276 L N 4.863 126.049 121.223 -0.062 0.000 2.747 276 L HA -0.048 4.292 4.340 -0.000 0.000 0.286 276 L C -0.708 176.222 176.870 0.100 0.000 1.216 276 L CA 1.099 55.924 54.840 -0.024 0.000 0.930 276 L CB -0.377 41.602 42.059 -0.133 0.000 1.216 276 L HN 0.917 nan 8.230 nan 0.000 0.486 277 N N 2.821 121.583 118.700 0.104 0.000 2.260 277 N HA 0.639 5.379 4.740 -0.000 0.000 0.293 277 N C -1.707 173.883 175.510 0.134 0.000 1.058 277 N CA -1.004 52.129 53.050 0.138 0.000 0.824 277 N CB 1.915 40.518 38.487 0.194 0.000 1.551 277 N HN 0.173 nan 8.380 nan 0.000 0.475 278 V N 1.659 121.628 119.914 0.091 0.000 2.448 278 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 278 V C -0.450 175.642 176.094 -0.004 0.000 1.025 278 V CA -0.651 61.655 62.300 0.009 0.000 0.859 278 V CB 1.093 32.869 31.823 -0.077 0.000 0.988 278 V HN 0.759 nan 8.190 nan 0.000 0.431 279 H N 4.535 123.350 119.070 -0.425 0.000 2.517 279 H HA 0.413 4.969 4.556 -0.000 0.000 0.317 279 H C -1.331 173.613 175.328 -0.640 0.000 1.080 279 H CA -0.258 55.521 56.048 -0.449 0.000 1.301 279 H CB 1.385 30.536 29.762 -1.019 0.000 1.425 279 H HN 0.452 nan 8.280 nan 0.000 0.471 280 F N 2.038 121.812 119.950 -0.292 0.000 2.375 280 F HA 0.181 4.708 4.527 -0.000 0.000 0.361 280 F C 0.523 176.119 175.800 -0.339 0.000 1.117 280 F CA -0.611 57.242 58.000 -0.244 0.000 1.037 280 F CB 1.714 40.643 39.000 -0.118 0.000 1.192 280 F HN 0.395 nan 8.300 nan 0.000 0.452 281 T N 0.225 114.664 114.554 -0.191 0.000 2.893 281 T HA 0.813 5.163 4.350 -0.000 0.000 0.291 281 T C -0.232 174.435 174.700 -0.055 0.000 1.028 281 T CA -1.120 60.847 62.100 -0.222 0.000 0.995 281 T CB 1.744 70.456 68.868 -0.261 0.000 1.051 281 T HN 0.720 nan 8.240 nan 0.000 0.470 282 A N 2.531 125.330 122.820 -0.035 0.000 2.548 282 A HA 0.340 4.659 4.320 -0.000 0.000 0.247 282 A C 1.367 179.001 177.584 0.083 0.000 1.067 282 A CA -0.512 51.544 52.037 0.032 0.000 0.757 282 A CB -0.359 18.643 19.000 0.003 0.000 0.996 282 A HN 1.086 nan 8.150 nan 0.000 0.504 283 L N 3.697 124.955 121.223 0.058 0.000 2.131 283 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 283 L C 2.137 179.023 176.870 0.028 0.000 1.092 283 L CA 2.657 57.512 54.840 0.025 0.000 0.759 283 L CB -0.593 41.470 42.059 0.006 0.000 0.903 283 L HN 0.726 nan 8.230 nan 0.000 0.435 284 G N -1.538 107.293 108.800 0.052 0.000 2.848 284 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.208 284 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.208 284 G C 0.486 175.477 174.900 0.150 0.000 1.152 284 G CA -0.083 45.054 45.100 0.063 0.000 0.789 284 G HN 0.369 nan 8.290 nan 0.000 0.531 285 F N 1.471 121.413 119.950 -0.015 0.000 2.405 285 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 285 F C 0.041 175.845 175.800 0.007 0.000 1.121 285 F CA -1.247 56.755 58.000 0.004 0.000 1.112 285 F CB 1.048 40.041 39.000 -0.010 0.000 1.126 285 F HN -0.102 nan 8.300 nan 0.000 0.481 286 E N 6.222 126.275 120.200 -0.244 0.000 1.858 286 E HA 0.109 4.459 4.350 -0.000 0.000 0.278 286 E C 0.171 176.344 176.600 -0.711 0.000 1.172 286 E CA -0.149 56.035 56.400 -0.360 0.000 1.127 286 E CB 0.260 29.859 29.700 -0.167 0.000 1.084 286 E HN 0.653 nan 8.360 nan 0.000 0.455 287 A N 4.923 127.228 122.820 -0.859 0.000 2.498 287 A HA 0.193 4.512 4.320 -0.000 0.000 0.239 287 A C -1.866 175.566 177.584 -0.253 0.000 1.068 287 A CA -0.985 50.573 52.037 -0.798 0.000 0.766 287 A CB -0.186 18.640 19.000 -0.289 0.000 1.003 287 A HN 0.218 nan 8.150 nan 0.000 0.497 288 P HA 0.236 nan 4.420 nan 0.000 0.268 288 P C 0.779 178.180 177.300 0.167 0.000 1.204 288 P CA 1.345 64.489 63.100 0.073 0.000 0.768 288 P CB 0.781 32.580 31.700 0.165 0.000 0.842 289 G N 2.496 111.354 108.800 0.096 0.000 2.143 289 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 289 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 289 G C 0.600 175.582 174.900 0.137 0.000 0.991 289 G CA 0.421 45.603 45.100 0.137 0.000 0.689 289 G HN 0.692 nan 8.290 nan 0.000 0.522 290 S N -0.515 115.131 115.700 -0.090 0.000 2.572 290 S HA 0.557 5.027 4.470 -0.000 0.000 0.228 290 S C 1.303 175.696 174.600 -0.345 0.000 0.963 290 S CA 0.632 58.574 58.200 -0.430 0.000 0.939 290 S CB 0.764 63.670 63.200 -0.490 0.000 0.804 290 S HN 1.536 nan 8.310 nan 0.000 0.480 291 G N 0.814 109.499 108.800 -0.192 0.000 2.491 291 G HA2 0.338 4.298 3.960 -0.000 0.000 0.242 291 G HA3 0.338 4.298 3.960 -0.000 0.000 0.242 291 G C 0.874 175.677 174.900 -0.163 0.000 1.266 291 G CA -0.246 44.764 45.100 -0.150 0.000 0.844 291 G HN 0.263 nan 8.290 nan 0.000 0.571 292 V N 1.158 120.984 119.914 -0.147 0.000 2.546 292 V HA -0.145 3.975 4.120 -0.000 0.000 0.254 292 V C 2.596 178.618 176.094 -0.118 0.000 1.076 292 V CA 2.609 64.818 62.300 -0.151 0.000 1.087 292 V CB -0.294 31.463 31.823 -0.111 0.000 0.674 292 V HN 0.904 nan 8.190 nan 0.000 0.470 293 E N -0.154 120.011 120.200 -0.059 0.000 2.511 293 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 293 E C 1.925 178.571 176.600 0.076 0.000 1.066 293 E CA 0.921 57.328 56.400 0.011 0.000 0.871 293 E CB -0.001 29.709 29.700 0.016 0.000 0.863 293 E HN 0.672 nan 8.360 nan 0.000 0.520 294 R N -0.520 119.998 120.500 0.031 0.000 2.725 294 R HA 0.292 4.632 4.340 -0.000 0.000 0.207 294 R C 0.024 176.444 176.300 0.200 0.000 0.924 294 R CA 0.635 56.816 56.100 0.135 0.000 1.098 294 R CB 0.806 31.136 30.300 0.050 0.000 1.602 294 R HN 0.088 nan 8.270 nan 0.000 0.615 295 A N 1.187 123.995 122.820 -0.020 0.000 2.310 295 A HA 0.473 4.793 4.320 -0.000 0.000 0.299 295 A C -1.150 176.262 177.584 -0.286 0.000 1.147 295 A CA -0.155 51.833 52.037 -0.082 0.000 0.818 295 A CB 0.360 19.030 19.000 -0.551 0.000 1.096 295 A HN 0.364 nan 8.150 nan 0.000 0.495 296 H N 2.397 121.484 119.070 0.027 0.000 2.924 296 H HA 0.269 4.825 4.556 -0.000 0.000 0.333 296 H C -0.951 174.383 175.328 0.011 0.000 0.979 296 H CA -0.437 55.625 56.048 0.022 0.000 1.326 296 H CB 1.267 31.049 29.762 0.035 0.000 1.600 296 H HN 0.564 nan 8.280 nan 0.000 0.520 297 L N 3.917 125.170 121.223 0.051 0.000 2.499 297 L HA -0.052 4.287 4.340 -0.000 0.000 0.273 297 L C 2.037 178.898 176.870 -0.015 0.000 1.195 297 L CA 0.069 54.917 54.840 0.012 0.000 0.882 297 L CB 0.912 42.957 42.059 -0.022 0.000 1.133 297 L HN 0.532 nan 8.230 nan 0.000 0.483 298 L N 3.248 124.421 121.223 -0.083 0.000 2.046 298 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 298 L C 2.565 179.374 176.870 -0.103 0.000 1.077 298 L CA 1.733 56.496 54.840 -0.129 0.000 0.747 298 L CB -0.128 41.793 42.059 -0.231 0.000 0.896 298 L HN 0.947 nan 8.230 nan 0.000 0.432 299 A N -0.292 122.469 122.820 -0.098 0.000 1.917 299 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 299 A C 2.032 179.600 177.584 -0.026 0.000 1.182 299 A CA 2.113 54.114 52.037 -0.059 0.000 0.633 299 A CB -0.523 18.454 19.000 -0.038 0.000 0.819 299 A HN 0.607 nan 8.150 nan 0.000 0.448 300 E N -0.632 119.557 120.200 -0.018 0.000 2.072 300 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 300 E C 2.005 178.615 176.600 0.016 0.000 0.982 300 E CA 0.962 57.362 56.400 -0.000 0.000 0.803 300 E CB -0.239 29.469 29.700 0.013 0.000 0.755 300 E HN 0.392 nan 8.360 nan 0.000 0.453 301 V N 1.748 121.680 119.914 0.030 0.000 2.324 301 V HA -0.299 3.820 4.120 -0.000 0.000 0.250 301 V C 2.260 178.378 176.094 0.040 0.000 1.060 301 V CA 1.672 64.002 62.300 0.050 0.000 1.042 301 V CB -0.417 31.336 31.823 -0.117 0.000 0.650 301 V HN 0.271 nan 8.190 nan 0.000 0.450 302 I N -0.426 120.141 120.570 -0.005 0.000 2.179 302 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 302 I C 2.547 178.674 176.117 0.016 0.000 1.088 302 I CA 1.747 63.052 61.300 0.007 0.000 1.357 302 I CB -0.339 37.660 38.000 -0.003 0.000 1.051 302 I HN 0.371 nan 8.210 nan 0.000 0.409 303 E N 0.440 120.641 120.200 0.002 0.000 2.152 303 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 303 E C 1.867 178.443 176.600 -0.040 0.000 0.983 303 E CA 0.763 57.158 56.400 -0.008 0.000 0.818 303 E CB -0.027 29.668 29.700 -0.009 0.000 0.758 303 E HN 0.435 nan 8.360 nan 0.000 0.467 304 N N 0.859 119.508 118.700 -0.085 0.000 2.084 304 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 304 N C 1.909 177.350 175.510 -0.114 0.000 1.030 304 N CA 0.883 53.792 53.050 -0.234 0.000 0.849 304 N CB -0.291 37.859 38.487 -0.562 0.000 1.012 304 N HN 0.139 nan 8.380 nan 0.000 0.423 305 L N 1.226 122.458 121.223 0.016 0.000 2.079 305 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 305 L C 2.052 178.943 176.870 0.035 0.000 1.081 305 L CA 1.268 56.148 54.840 0.067 0.000 0.752 305 L CB -0.348 41.776 42.059 0.108 0.000 0.896 305 L HN 0.220 nan 8.230 nan 0.000 0.433 306 E N -1.000 119.212 120.200 0.020 0.000 2.150 306 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 306 E C 2.224 178.829 176.600 0.009 0.000 0.985 306 E CA 1.332 57.742 56.400 0.017 0.000 0.814 306 E CB -0.106 29.604 29.700 0.017 0.000 0.752 306 E HN 0.529 nan 8.360 nan 0.000 0.466 307 C N 0.606 119.904 119.300 -0.003 0.000 2.495 307 C HA 0.015 4.475 4.460 -0.000 0.000 0.275 307 C C 0.823 175.819 174.990 0.010 0.000 1.392 307 C CA 0.003 59.020 59.018 -0.002 0.000 1.766 307 C CB -0.306 27.426 27.740 -0.013 0.000 1.933 307 C HN 0.311 nan 8.230 nan 0.000 0.519 308 D N -1.306 119.104 120.400 0.017 0.000 2.752 308 D HA 0.198 4.837 4.640 -0.000 0.000 0.242 308 D C -1.897 174.436 176.300 0.054 0.000 1.295 308 D CA -1.070 52.955 54.000 0.041 0.000 0.846 308 D CB 0.502 41.352 40.800 0.084 0.000 1.454 308 D HN -0.123 nan 8.370 nan 0.000 0.535 309 P HA -0.170 nan 4.420 nan 0.000 0.219 309 P C 0.490 177.832 177.300 0.070 0.000 1.158 309 P CA 1.432 64.563 63.100 0.052 0.000 0.895 309 P CB 0.204 31.924 31.700 0.033 0.000 0.792 310 R N -2.926 117.604 120.500 0.050 0.000 2.466 310 R HA 0.146 4.486 4.340 -0.000 0.000 0.279 310 R C 1.660 177.962 176.300 0.004 0.000 0.976 310 R CA -0.148 55.977 56.100 0.041 0.000 1.081 310 R CB -0.842 29.470 30.300 0.020 0.000 1.215 310 R HN 0.322 nan 8.270 nan 0.000 0.546 311 H N 0.464 119.464 119.070 -0.117 0.000 2.292 311 H HA -0.244 4.311 4.556 -0.000 0.000 0.292 311 H C 0.865 175.943 175.328 -0.417 0.000 1.100 311 H CA 2.218 58.086 56.048 -0.301 0.000 1.238 311 H CB 0.008 29.500 29.762 -0.449 0.000 1.355 311 H HN 0.302 nan 8.280 nan 0.000 0.484 312 Y N -0.798 119.540 120.300 0.063 0.000 2.544 312 Y HA -0.017 4.533 4.550 -0.000 0.000 0.286 312 Y C 2.060 177.883 175.900 -0.129 0.000 1.141 312 Y CA 0.372 58.435 58.100 -0.062 0.000 1.299 312 Y CB 0.367 38.776 38.460 -0.085 0.000 1.030 312 Y HN 0.307 nan 8.280 nan 0.000 0.543 313 Q N -0.653 119.155 119.800 0.013 0.000 2.376 313 Q HA -0.017 4.322 4.340 -0.000 0.000 0.206 313 Q C 1.664 177.654 176.000 -0.017 0.000 0.921 313 Q CA 0.798 56.609 55.803 0.015 0.000 0.911 313 Q CB 0.239 29.011 28.738 0.057 0.000 1.032 313 Q HN 0.494 nan 8.270 nan 0.000 0.510 314 Q N -0.825 118.923 119.800 -0.086 0.000 2.324 314 Q HA 0.156 4.496 4.340 -0.000 0.000 0.207 314 Q C 0.280 176.193 176.000 -0.145 0.000 0.928 314 Q CA 0.097 55.843 55.803 -0.094 0.000 0.890 314 Q CB 0.643 29.322 28.738 -0.097 0.000 1.001 314 Q HN 0.033 nan 8.270 nan 0.000 0.517 315 R N 1.045 121.381 120.500 -0.274 0.000 2.577 315 R HA 0.260 4.600 4.340 -0.000 0.000 0.269 315 R C -0.265 175.939 176.300 -0.159 0.000 1.084 315 R CA 0.180 56.105 56.100 -0.291 0.000 1.163 315 R CB 0.604 30.549 30.300 -0.592 0.000 1.100 315 R HN -0.004 nan 8.270 nan 0.000 0.547 316 T N 2.796 117.289 114.554 -0.102 0.000 2.771 316 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 316 T C 0.195 174.912 174.700 0.028 0.000 0.954 316 T CA -0.382 61.708 62.100 -0.016 0.000 1.045 316 T CB 0.471 69.333 68.868 -0.011 0.000 0.917 316 T HN 0.186 nan 8.240 nan 0.000 0.484 317 L N 2.995 124.284 121.223 0.111 0.000 2.329 317 L HA 0.518 4.858 4.340 -0.000 0.000 0.279 317 L C 0.350 177.408 176.870 0.312 0.000 1.014 317 L CA -0.856 54.121 54.840 0.228 0.000 0.814 317 L CB 1.859 44.026 42.059 0.180 0.000 1.257 317 L HN 0.545 nan 8.230 nan 0.000 0.424 318 T N 3.112 117.851 114.554 0.308 0.000 2.794 318 T HA 0.726 5.076 4.350 -0.000 0.000 0.280 318 T C -0.644 174.247 174.700 0.320 0.000 0.987 318 T CA -0.291 61.902 62.100 0.155 0.000 0.993 318 T CB 0.852 69.769 68.868 0.082 0.000 0.939 318 T HN 0.414 nan 8.240 nan 0.000 0.449 319 F N -0.106 119.919 119.950 0.125 0.000 2.745 319 F HA 0.884 5.411 4.527 -0.000 0.000 0.316 319 F C -1.014 174.800 175.800 0.025 0.000 1.155 319 F CA -1.909 56.139 58.000 0.080 0.000 0.937 319 F CB 0.751 39.793 39.000 0.071 0.000 1.361 319 F HN 0.593 nan 8.300 nan 0.000 0.472 320 A N 1.553 124.525 122.820 0.253 0.000 2.324 320 A HA 0.878 5.198 4.320 -0.000 0.000 0.330 320 A C -1.387 176.296 177.584 0.164 0.000 1.165 320 A CA -0.744 51.358 52.037 0.108 0.000 0.813 320 A CB 1.034 20.065 19.000 0.050 0.000 1.197 320 A HN 0.781 nan 8.150 nan 0.000 0.484 321 L N 1.941 123.215 121.223 0.085 0.000 2.354 321 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 321 L C 0.564 177.444 176.870 0.017 0.000 1.008 321 L CA -1.095 53.789 54.840 0.074 0.000 0.819 321 L CB 1.994 44.110 42.059 0.094 0.000 1.339 321 L HN 0.974 nan 8.230 nan 0.000 0.420 322 R N 1.296 121.796 120.500 -0.001 0.000 2.679 322 R HA 0.264 4.604 4.340 -0.000 0.000 0.268 322 R C 0.719 177.011 176.300 -0.013 0.000 1.044 322 R CA 0.310 56.401 56.100 -0.014 0.000 1.105 322 R CB 0.629 30.914 30.300 -0.025 0.000 0.989 322 R HN 0.760 nan 8.270 nan 0.000 0.447 323 A N 2.389 125.200 122.820 -0.015 0.000 1.940 323 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 323 A C 1.357 178.931 177.584 -0.016 0.000 1.176 323 A CA 1.883 53.910 52.037 -0.016 0.000 0.631 323 A CB -0.617 18.374 19.000 -0.015 0.000 0.814 323 A HN 0.956 nan 8.150 nan 0.000 0.446 324 D N -0.691 119.699 120.400 -0.016 0.000 2.339 324 D HA 0.006 4.646 4.640 -0.000 0.000 0.217 324 D C 0.139 176.428 176.300 -0.019 0.000 1.050 324 D CA -0.075 53.915 54.000 -0.016 0.000 0.856 324 D CB -0.545 40.247 40.800 -0.013 0.000 0.922 324 D HN 0.242 nan 8.370 nan 0.000 0.518 325 D N 1.527 121.916 120.400 -0.019 0.000 2.554 325 D HA -0.045 4.595 4.640 -0.000 0.000 0.251 325 D C -1.309 174.975 176.300 -0.027 0.000 1.213 325 D CA -0.987 53.002 54.000 -0.020 0.000 0.900 325 D CB 1.408 42.202 40.800 -0.010 0.000 1.135 325 D HN 0.005 nan 8.370 nan 0.000 0.522 326 P HA -0.163 nan 4.420 nan 0.000 0.218 326 P C 1.548 178.795 177.300 -0.087 0.000 1.146 326 P CA 0.359 63.427 63.100 -0.054 0.000 0.813 326 P CB 0.216 31.887 31.700 -0.048 0.000 0.778 327 L N -0.793 120.387 121.223 -0.072 0.000 2.046 327 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 327 L C 2.128 178.976 176.870 -0.037 0.000 1.077 327 L CA 1.676 56.472 54.840 -0.074 0.000 0.747 327 L CB -1.566 40.489 42.059 -0.006 0.000 0.896 327 L HN -0.125 nan 8.230 nan 0.000 0.432 328 L N 0.107 121.323 121.223 -0.013 0.000 1.990 328 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 328 L C 2.640 179.488 176.870 -0.038 0.000 1.072 328 L CA 2.481 57.310 54.840 -0.018 0.000 0.755 328 L CB -0.932 41.116 42.059 -0.017 0.000 0.889 328 L HN 0.395 nan 8.230 nan 0.000 0.432 329 K N -0.722 119.652 120.400 -0.043 0.000 2.020 329 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 329 K C 2.086 178.653 176.600 -0.056 0.000 1.050 329 K CA 2.159 58.419 56.287 -0.046 0.000 0.929 329 K CB -0.462 32.011 32.500 -0.044 0.000 0.714 329 K HN 0.400 nan 8.250 nan 0.000 0.443 330 L N 0.366 121.538 121.223 -0.084 0.000 2.042 330 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 330 L C 2.343 179.177 176.870 -0.059 0.000 1.076 330 L CA 1.224 56.005 54.840 -0.100 0.000 0.749 330 L CB -0.342 41.596 42.059 -0.202 0.000 0.893 330 L HN 0.236 nan 8.230 nan 0.000 0.432 331 L N -1.301 119.896 121.223 -0.043 0.000 2.072 331 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 331 L C 2.672 179.526 176.870 -0.027 0.000 1.079 331 L CA 1.043 55.872 54.840 -0.019 0.000 0.752 331 L CB -0.440 41.617 42.059 -0.005 0.000 0.906 331 L HN 0.280 nan 8.230 nan 0.000 0.436 332 Q N 0.015 119.794 119.800 -0.035 0.000 2.061 332 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 332 Q C 2.114 178.098 176.000 -0.026 0.000 0.984 332 Q CA 1.867 57.650 55.803 -0.034 0.000 0.846 332 Q CB -0.122 28.595 28.738 -0.035 0.000 0.902 332 Q HN 0.492 nan 8.270 nan 0.000 0.421 333 E N 0.271 120.455 120.200 -0.027 0.000 2.085 333 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 333 E C 1.660 178.251 176.600 -0.015 0.000 0.994 333 E CA 1.110 57.497 56.400 -0.022 0.000 0.801 333 E CB -0.092 29.593 29.700 -0.024 0.000 0.743 333 E HN 0.362 nan 8.360 nan 0.000 0.453 334 A N 0.452 123.263 122.820 -0.014 0.000 2.235 334 A HA -0.094 4.226 4.320 -0.000 0.000 0.208 334 A C 1.507 179.089 177.584 -0.004 0.000 1.172 334 A CA 0.556 52.590 52.037 -0.005 0.000 0.786 334 A CB -0.031 18.970 19.000 0.001 0.000 0.804 334 A HN 0.168 nan 8.150 nan 0.000 0.479 335 Q N -0.757 119.037 119.800 -0.010 0.000 2.280 335 Q HA -0.003 4.337 4.340 -0.000 0.000 0.201 335 Q C 1.519 177.512 176.000 -0.012 0.000 0.890 335 Q CA 0.557 56.353 55.803 -0.011 0.000 0.947 335 Q CB 0.292 29.020 28.738 -0.018 0.000 1.081 335 Q HN 0.947 nan 8.270 nan 0.000 0.502 336 Q N -1.986 117.807 119.800 -0.010 0.000 2.519 336 Q HA 0.214 4.554 4.340 -0.000 0.000 0.248 336 Q C 0.861 176.857 176.000 -0.007 0.000 0.804 336 Q CA 0.139 55.937 55.803 -0.009 0.000 0.979 336 Q CB 0.206 28.938 28.738 -0.011 0.000 1.282 336 Q HN -0.057 nan 8.270 nan 0.000 0.558 337 S N 0.000 115.696 115.700 -0.007 0.000 2.498 337 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 337 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 337 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 337 S HN 0.000 nan 8.310 nan 0.000 0.517