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 3iyl_1_L DATA FIRST_RESID 43 DATA SEQUENCE PTGKLWRPVG TSVATIDSLA IVSDRFGQYS FVNEGMRETF SKALFDINMW DATA SEQUENCE QPLFQATKTG CGPIVLSSFT TTTSGYVGAT AGDALDNPVT NGVFISTVQI DATA SEQUENCE MNLQRTIAAR MRDVALWQKH LDTAMTMLTP DISAGSASCN WKSLLAFAKD DATA SEQUENCE ILPLDNLCLT YPNEFYNVAI HRYPALKPGN PDTKLPDAQA HPLGEVAGAF DATA SEQUENCE NAATSEVGSL VGSSSTLSQA ISTMAGKDLD LIEADTPLPV SVFTPSLAPR DATA SEQUENCE SYRPAFIKPE DAKWIAEFNN SSLIRKTLTY SGATYTVQLG PGPTRVIDMN DATA SEQUENCE AMIDSVLTLD VSGTILPYDT NPDLSTSVPA FVLIQTSVPI QQVTTAANIT DATA SEQUENCE AITVVSAAGA SAINLAINVR GQPRFNMLHL QATFERETIT GIPYIYGLGT DATA SEQUENCE FLIPSPTSSS NFSNPTLMDG LLTVTPVLLR ETTYKGEVVD AIVPATVMAN DATA SEQUENCE QTSEEVASAL ANDAIVLVSN HLNKLANVVG DAIPVASRTD DSATSAIVSR DATA SEQUENCE LAVQHKLSQV GQASPTPPDY PLLWRRAKRA ASMFVSNPSL ALQVGIPVLT DATA SEQUENCE QSGMLSALTS GVGTALRTGS LGKGVTDASE KLRARQSLTV AKQAFFDQIG DATA SEQUENCE SLWP 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.467 177.300 0.278 0.000 1.155 43 P CA 0.000 63.137 63.100 0.061 0.000 0.800 43 P CB 0.000 31.554 31.700 -0.244 0.000 0.726 44 T N -1.600 113.112 114.554 0.263 0.000 2.700 44 T HA 0.673 5.023 4.350 -0.000 0.000 0.307 44 T C -0.358 174.524 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.455 70.430 68.868 0.178 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.325 110.302 108.800 0.295 0.000 2.725 45 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G C -1.035 174.113 174.900 0.414 0.000 1.357 45 G CA -0.657 44.634 45.100 0.318 0.000 0.866 45 G HN 0.818 nan 8.290 nan 0.000 0.548 46 K N -0.283 120.366 120.400 0.415 0.000 2.202 46 K HA 0.502 4.822 4.320 -0.000 0.000 0.264 46 K C 0.517 177.430 176.600 0.521 0.000 1.010 46 K CA -0.381 56.119 56.287 0.355 0.000 0.940 46 K CB 1.569 34.119 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.614 122.089 121.223 0.421 0.000 2.350 47 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 47 L C -1.361 175.702 176.870 0.321 0.000 1.099 47 L CA -0.230 54.867 54.840 0.427 0.000 0.808 47 L CB 0.432 42.435 42.059 -0.093 0.000 1.149 47 L HN 0.461 nan 8.230 nan 0.000 0.442 48 W N 3.580 124.924 121.300 0.073 0.000 2.736 48 W HA 0.785 5.445 4.660 -0.000 0.000 0.355 48 W C -0.348 176.212 176.519 0.069 0.000 1.102 48 W CA -0.876 56.516 57.345 0.078 0.000 1.164 48 W CB 0.994 30.517 29.460 0.105 0.000 1.422 48 W HN 0.437 nan 8.180 nan 0.000 0.572 49 R N 0.498 121.174 120.500 0.294 0.000 2.668 49 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 49 R C -2.701 173.717 176.300 0.196 0.000 1.019 49 R CA -2.082 54.135 56.100 0.196 0.000 0.894 49 R CB 2.255 32.590 30.300 0.059 0.000 1.228 49 R HN 0.015 nan 8.270 nan 0.000 0.460 50 P HA -0.043 nan 4.420 nan 0.000 0.257 50 P C 0.747 178.103 177.300 0.093 0.000 1.227 50 P CA 0.258 63.444 63.100 0.143 0.000 0.981 50 P CB 0.362 32.148 31.700 0.143 0.000 1.044 51 V N 3.732 123.699 119.914 0.088 0.000 2.490 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 51 V C 2.252 178.373 176.094 0.046 0.000 1.061 51 V CA 2.682 65.017 62.300 0.060 0.000 1.064 51 V CB -1.080 30.778 31.823 0.058 0.000 0.670 51 V HN 0.636 nan 8.190 nan 0.000 0.461 52 G N -1.497 107.332 108.800 0.047 0.000 2.920 52 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 52 G HA3 0.133 4.093 3.960 -0.000 0.000 0.208 52 G C 0.460 175.380 174.900 0.033 0.000 1.159 52 G CA 0.887 46.009 45.100 0.035 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.535 53 T N -0.952 113.627 114.554 0.041 0.000 0.541 53 T HA -0.176 4.174 4.350 -0.000 0.000 0.774 53 T C 1.215 175.939 174.700 0.041 0.000 0.992 53 T CA 0.373 62.496 62.100 0.038 0.000 4.077 53 T CB -1.152 67.731 68.868 0.025 0.000 2.303 53 T HN 0.944 nan 8.240 nan 0.000 0.398 54 S N -1.431 114.295 115.700 0.042 0.000 4.158 54 S HA -0.296 4.174 4.470 -0.000 0.000 0.538 54 S C 1.197 175.833 174.600 0.060 0.000 1.845 54 S CA 1.439 59.665 58.200 0.044 0.000 4.227 54 S CB -1.183 62.035 63.200 0.029 0.000 0.452 54 S HN 2.212 nan 8.310 nan 0.000 0.455 55 V N 3.662 123.601 119.914 0.042 0.000 2.452 55 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 55 V C 0.343 176.459 176.094 0.037 0.000 0.995 55 V CA 0.524 62.844 62.300 0.034 0.000 1.116 55 V CB -0.180 31.653 31.823 0.015 0.000 0.954 55 V HN 0.972 nan 8.190 nan 0.000 0.473 56 A N 5.956 128.799 122.820 0.037 0.000 2.366 56 A HA 0.689 5.009 4.320 -0.000 0.000 0.322 56 A C 0.416 177.933 177.584 -0.112 0.000 1.397 56 A CA -0.323 51.709 52.037 -0.008 0.000 0.984 56 A CB 0.317 19.344 19.000 0.046 0.000 1.149 56 A HN 0.889 nan 8.150 nan 0.000 0.540 57 T N 1.516 116.023 114.554 -0.079 0.000 2.889 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 57 T C 0.813 175.446 174.700 -0.111 0.000 0.995 57 T CA -0.465 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.657 69.495 68.868 -0.050 0.000 1.237 57 T HN 0.411 nan 8.240 nan 0.000 0.591 58 I N 2.277 122.786 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.181 176.269 176.117 -0.048 0.000 1.221 58 I CA 0.391 61.631 61.300 -0.100 0.000 1.575 58 I CB -0.919 37.024 38.000 -0.095 0.000 1.254 58 I HN 0.679 nan 8.210 nan 0.000 0.600 59 D N -1.908 118.479 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.758 59 D C 1.196 177.519 176.300 0.039 0.000 0.564 59 D CA 0.467 54.478 54.000 0.018 0.000 1.286 59 D CB -0.624 40.181 40.800 0.008 0.000 1.248 59 D HN 0.142 nan 8.370 nan 0.000 0.365 60 S N 0.587 116.303 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.565 175.213 174.600 0.080 0.000 0.948 60 S CA -0.552 57.674 58.200 0.043 0.000 0.949 60 S CB -0.493 62.724 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.805 122.093 121.223 0.109 0.000 2.397 61 L HA 0.888 5.228 4.340 -0.000 0.000 0.266 61 L C 0.060 177.087 176.870 0.262 0.000 1.040 61 L CA -0.792 54.171 54.840 0.205 0.000 0.800 61 L CB 1.511 43.698 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.848 123.883 122.820 0.358 0.000 2.590 62 A HA 0.325 4.645 4.320 -0.000 0.000 0.309 62 A C -0.903 176.687 177.584 0.010 0.000 1.039 62 A CA -0.727 51.433 52.037 0.205 0.000 0.824 62 A CB 0.484 19.538 19.000 0.089 0.000 1.247 62 A HN 0.431 nan 8.150 nan 0.000 0.394 63 I N 2.690 122.988 120.570 -0.453 0.000 2.943 63 I HA -0.068 4.102 4.170 -0.000 0.000 0.296 63 I C 0.797 176.761 176.117 -0.255 0.000 1.220 63 I CA 0.531 61.402 61.300 -0.714 0.000 1.409 63 I CB 0.161 37.684 38.000 -0.795 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.812 126.647 119.914 -0.131 0.000 2.220 64 V HA -0.045 4.075 4.120 -0.000 0.000 0.236 64 V C 1.081 177.204 176.094 0.048 0.000 1.314 64 V CA 0.333 62.625 62.300 -0.014 0.000 1.349 64 V CB -0.494 31.325 31.823 -0.006 0.000 1.428 64 V HN 0.839 nan 8.190 nan 0.000 0.495 65 S N 2.934 118.636 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.369 174.277 174.600 0.077 0.000 1.179 65 S CA -0.172 58.042 58.200 0.024 0.000 0.992 65 S CB 1.267 64.443 63.200 -0.040 0.000 1.030 65 S HN 0.992 nan 8.310 nan 0.000 0.554 66 D N -0.168 120.276 120.400 0.072 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.429 176.745 176.300 0.026 0.000 1.442 66 D CA -0.510 53.535 54.000 0.075 0.000 0.802 66 D CB -0.249 40.651 40.800 0.166 0.000 1.406 66 D HN 0.610 nan 8.370 nan 0.000 0.488 67 R N -0.324 120.155 120.500 -0.035 0.000 2.276 67 R HA -0.061 4.279 4.340 -0.000 0.000 0.243 67 R C 0.889 177.019 176.300 -0.283 0.000 1.161 67 R CA 1.640 57.628 56.100 -0.187 0.000 1.007 67 R CB -0.656 29.464 30.300 -0.300 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.092 120.038 119.950 -0.007 0.000 2.704 68 F HA 0.396 4.923 4.527 -0.000 0.000 0.304 68 F C 1.452 177.157 175.800 -0.159 0.000 1.094 68 F CA 0.658 58.621 58.000 -0.061 0.000 1.275 68 F CB 1.173 40.151 39.000 -0.037 0.000 1.073 68 F HN 0.415 nan 8.300 nan 0.000 0.586 69 G N 0.324 109.125 108.800 0.002 0.000 2.428 69 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.202 69 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.202 69 G C -0.887 173.908 174.900 -0.175 0.000 1.247 69 G CA -1.035 44.017 45.100 -0.080 0.000 1.020 69 G HN 0.046 nan 8.290 nan 0.000 0.529 70 Q N -0.279 119.407 119.800 -0.191 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.107 174.751 176.000 -0.237 0.000 0.961 70 Q CA -0.577 55.119 55.803 -0.178 0.000 0.882 70 Q CB 1.646 30.325 28.738 -0.100 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.338 121.661 120.300 0.037 0.000 2.605 71 Y HA 0.034 4.584 4.550 -0.000 0.000 0.336 71 Y C 0.780 176.827 175.900 0.245 0.000 1.111 71 Y CA -0.063 58.105 58.100 0.113 0.000 1.422 71 Y CB 0.461 38.906 38.460 -0.025 0.000 1.193 71 Y HN 0.413 nan 8.280 nan 0.000 0.526 72 S N 4.439 120.360 115.700 0.369 0.000 2.475 72 S HA 0.471 4.941 4.470 -0.000 0.000 0.298 72 S C -0.701 174.217 174.600 0.529 0.000 1.119 72 S CA -0.947 57.495 58.200 0.404 0.000 1.085 72 S CB 0.777 64.111 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.250 123.401 119.950 0.334 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.079 175.656 175.800 -0.109 0.000 1.123 73 F CA -0.686 57.235 58.000 -0.132 0.000 1.307 73 F CB 0.622 39.529 39.000 -0.155 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.872 126.170 119.914 -1.025 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.391 174.984 176.094 -1.198 0.000 1.106 74 V CA -0.883 60.946 62.300 -0.785 0.000 0.947 74 V CB -0.528 31.074 31.823 -0.368 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.917 119.923 118.700 -1.157 0.000 2.329 75 N HA -0.082 4.658 4.740 -0.000 0.000 0.237 75 N C 1.142 176.408 175.510 -0.407 0.000 1.258 75 N CA -0.066 52.561 53.050 -0.706 0.000 0.866 75 N CB 0.731 39.079 38.487 -0.230 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.314 121.375 120.200 -0.231 0.000 2.113 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.210 76 E C 1.841 178.340 176.600 -0.169 0.000 1.040 76 E CA 2.119 58.424 56.400 -0.159 0.000 0.847 76 E CB -1.012 28.638 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.587 109.292 108.800 -0.158 0.000 2.422 77 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G C 1.575 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.822 45.826 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.826 120.250 119.600 -0.294 0.000 2.549 78 M HA 0.067 4.547 4.480 -0.000 0.000 0.260 78 M C 2.354 178.306 176.300 -0.580 0.000 1.076 78 M CA 0.905 55.931 55.300 -0.457 0.000 1.090 78 M CB -0.122 32.228 32.600 -0.418 0.000 1.418 78 M HN 0.362 nan 8.290 nan 0.000 0.486 79 R N -0.439 119.850 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.359 177.560 176.300 -0.165 0.000 1.010 79 R CA 0.940 56.904 56.100 -0.227 0.000 1.008 79 R CB -0.009 30.205 30.300 -0.143 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.457 120.547 120.200 -0.183 0.000 2.110 80 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 80 E C 1.541 178.079 176.600 -0.105 0.000 0.988 80 E CA 2.047 58.372 56.400 -0.124 0.000 0.804 80 E CB -0.144 29.483 29.700 -0.123 0.000 0.745 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.042 114.395 114.554 -0.195 0.000 2.639 81 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 81 T C 1.704 176.444 174.700 0.066 0.000 1.053 81 T CA 1.284 63.309 62.100 -0.124 0.000 1.158 81 T CB -0.682 68.027 68.868 -0.264 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.186 121.130 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.910 178.734 175.800 0.039 0.000 1.076 82 F CA 0.188 58.189 58.000 0.001 0.000 1.383 82 F CB -0.243 38.745 39.000 -0.020 0.000 1.055 82 F HN 0.188 nan 8.300 nan 0.000 0.526 83 S N 0.014 115.830 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.985 176.698 174.600 0.187 0.000 1.034 83 S CA 0.607 58.903 58.200 0.159 0.000 0.963 83 S CB -0.055 63.189 63.200 0.073 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.542 121.025 120.400 0.139 0.000 2.211 84 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 84 K C 2.003 178.744 176.600 0.235 0.000 1.050 84 K CA 0.953 57.342 56.287 0.169 0.000 0.945 84 K CB -0.208 32.342 32.500 0.084 0.000 0.732 84 K HN 0.373 nan 8.250 nan 0.000 0.451 85 A N 0.854 123.799 122.820 0.208 0.000 1.874 85 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 85 A C 1.978 179.672 177.584 0.184 0.000 1.189 85 A CA 0.829 52.977 52.037 0.185 0.000 0.615 85 A CB -0.437 18.669 19.000 0.176 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.768 119.572 121.223 0.195 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.472 179.461 176.870 0.198 0.000 1.085 86 L CA 1.354 56.302 54.840 0.180 0.000 0.755 86 L CB -0.562 41.608 42.059 0.186 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.668 121.680 119.950 0.104 0.000 2.126 87 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 87 F C 2.095 177.962 175.800 0.110 0.000 1.096 87 F CA 2.043 60.095 58.000 0.086 0.000 1.255 87 F CB -0.284 38.748 39.000 0.054 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.217 120.210 120.400 0.045 0.000 2.350 88 D HA -0.116 4.524 4.640 -0.000 0.000 0.216 88 D C 1.984 178.371 176.300 0.144 0.000 0.968 88 D CA 1.167 55.176 54.000 0.014 0.000 0.894 88 D CB -0.164 40.735 40.800 0.164 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.387 120.286 120.570 0.171 0.000 2.729 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.256 89 I C 1.937 178.254 176.117 0.333 0.000 1.115 89 I CA 0.018 61.517 61.300 0.332 0.000 1.446 89 I CB -0.251 37.899 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.376 120.159 118.700 0.139 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.883 177.431 175.510 0.062 0.000 1.017 90 N CA 1.541 54.651 53.050 0.101 0.000 0.859 90 N CB -0.387 38.114 38.487 0.022 0.000 1.002 90 N HN 0.355 nan 8.380 nan 0.000 0.428 91 M N -0.464 119.061 119.600 -0.125 0.000 2.116 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 91 M C 0.643 176.867 176.300 -0.126 0.000 1.075 91 M CA 1.723 56.892 55.300 -0.218 0.000 1.087 91 M CB -0.237 32.110 32.600 -0.421 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.422 121.760 121.300 0.063 0.000 3.468 92 W HA 0.011 4.671 4.660 -0.000 0.000 0.327 92 W C 1.882 178.418 176.519 0.028 0.000 1.259 92 W CA -0.362 56.986 57.345 0.005 0.000 1.706 92 W CB -0.407 29.058 29.460 0.009 0.000 1.007 92 W HN 0.363 nan 8.180 nan 0.000 0.764 93 Q N 2.213 122.165 119.800 0.253 0.000 2.061 93 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 93 Q C -0.149 175.911 176.000 0.100 0.000 0.984 93 Q CA 1.999 57.954 55.803 0.253 0.000 0.846 93 Q CB -1.466 27.357 28.738 0.142 0.000 0.902 93 Q HN 0.093 nan 8.270 nan 0.000 0.421 94 P HA -0.146 nan 4.420 nan 0.000 0.221 94 P C 0.908 178.051 177.300 -0.262 0.000 1.145 94 P CA 0.875 63.910 63.100 -0.109 0.000 0.795 94 P CB 0.124 31.750 31.700 -0.124 0.000 0.775 95 L N -2.406 118.573 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.116 178.396 176.870 -0.982 0.000 1.106 95 L CA 0.779 55.088 54.840 -0.884 0.000 0.851 95 L CB -1.276 40.057 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.158 119.546 119.950 -0.409 0.000 2.163 96 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 96 F C 2.479 178.187 175.800 -0.153 0.000 1.094 96 F CA 1.191 59.078 58.000 -0.188 0.000 1.290 96 F CB -0.421 38.604 39.000 0.040 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.093 119.732 119.800 0.042 0.000 2.016 97 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 97 Q C 2.537 178.502 176.000 -0.058 0.000 0.978 97 Q CA 1.366 57.176 55.803 0.012 0.000 0.833 97 Q CB -0.662 28.083 28.738 0.012 0.000 0.895 97 Q HN 0.360 nan 8.270 nan 0.000 0.427 98 A N 1.477 124.199 122.820 -0.163 0.000 1.903 98 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 98 A C 2.218 179.708 177.584 -0.156 0.000 1.191 98 A CA 2.183 54.118 52.037 -0.170 0.000 0.638 98 A CB -1.177 17.606 19.000 -0.362 0.000 0.823 98 A HN 0.526 nan 8.150 nan 0.000 0.451 99 T N -4.558 109.799 114.554 -0.328 0.000 3.312 99 T HA 0.280 4.630 4.350 -0.000 0.000 0.251 99 T C 0.534 175.244 174.700 0.015 0.000 1.012 99 T CA 0.362 62.367 62.100 -0.158 0.000 0.925 99 T CB 0.059 68.764 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.139 120.559 120.400 0.034 0.000 3.184 100 K HA -0.190 4.130 4.320 -0.000 0.000 0.301 100 K C 0.769 177.440 176.600 0.118 0.000 1.170 100 K CA 1.323 57.654 56.287 0.073 0.000 0.897 100 K CB -2.364 30.174 32.500 0.064 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.672 113.001 114.554 0.199 0.000 3.367 101 T HA 0.480 4.830 4.350 -0.000 0.000 0.330 101 T C 1.248 176.101 174.700 0.256 0.000 1.269 101 T CA 1.191 63.454 62.100 0.271 0.000 0.912 101 T CB 0.341 69.467 68.868 0.429 0.000 2.087 101 T HN 0.614 nan 8.240 nan 0.000 0.562 102 G N -0.198 108.745 108.800 0.238 0.000 2.582 102 G HA2 -0.261 3.700 3.960 -0.000 0.000 0.288 102 G HA3 -0.261 3.700 3.960 -0.000 0.000 0.288 102 G C 0.618 175.448 174.900 -0.117 0.000 1.247 102 G CA 0.935 45.909 45.100 -0.210 0.000 0.972 102 G HN 2.097 nan 8.290 nan 0.000 0.557 103 C N -2.906 116.304 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.088 176.031 174.990 -0.077 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.946 26.753 27.740 -0.069 0.000 2.094 103 C HN 3.160 nan 8.230 nan 0.000 0.423 104 G N 1.069 109.820 108.800 -0.082 0.000 2.612 104 G HA2 0.298 4.258 3.960 -0.000 0.000 0.686 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 104 G C -3.172 171.687 174.900 -0.068 0.000 1.274 104 G CA -0.406 44.664 45.100 -0.051 0.000 0.849 104 G HN 0.367 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.126 177.420 177.300 -0.009 0.000 1.230 105 P CA -0.331 62.766 63.100 -0.005 0.000 0.776 105 P CB 0.525 32.240 31.700 0.024 0.000 0.888 106 I N 2.971 123.550 120.570 0.015 0.000 2.294 106 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 106 I C -0.016 176.153 176.117 0.085 0.000 1.098 106 I CA -0.484 60.847 61.300 0.052 0.000 1.277 106 I CB 0.265 38.333 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.050 126.982 119.914 0.030 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.026 177.169 176.094 0.081 0.000 1.048 107 V CA -0.521 61.806 62.300 0.046 0.000 0.967 107 V CB 1.646 33.468 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.223 126.539 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.263 179.235 176.870 0.169 0.000 1.133 108 L CA 1.935 56.924 54.840 0.248 0.000 0.798 108 L CB -0.499 41.694 42.059 0.223 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.421 113.318 115.700 0.065 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.724 176.292 174.600 -0.054 0.000 0.958 109 S CA 0.463 58.677 58.200 0.023 0.000 0.943 109 S CB -0.734 62.472 63.200 0.011 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.260 115.338 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.759 175.073 174.600 -0.478 0.000 0.997 110 S CA -0.487 57.492 58.200 -0.370 0.000 0.908 110 S CB -0.503 62.360 63.200 -0.561 0.000 0.803 110 S HN 0.442 nan 8.310 nan 0.000 0.504 111 F N 2.965 122.908 119.950 -0.013 0.000 2.731 111 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 111 F C 1.658 177.456 175.800 -0.004 0.000 1.106 111 F CA 0.159 58.144 58.000 -0.025 0.000 1.329 111 F CB -0.131 38.845 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.103 112.549 114.554 0.163 0.000 2.902 112 T HA 0.702 5.052 4.350 -0.000 0.000 0.287 112 T C 0.301 175.068 174.700 0.113 0.000 1.048 112 T CA 0.112 62.304 62.100 0.152 0.000 0.941 112 T CB 1.529 70.481 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.617 111.032 114.554 0.157 0.000 2.711 113 T HA 0.527 4.877 4.350 -0.000 0.000 0.302 113 T C -0.947 173.851 174.700 0.163 0.000 1.373 113 T CA -0.807 61.364 62.100 0.119 0.000 1.000 113 T CB 1.264 70.194 68.868 0.104 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.074 116.691 114.554 0.106 0.000 3.514 114 T HA 0.457 4.807 4.350 -0.000 0.000 0.259 114 T C 0.070 174.823 174.700 0.088 0.000 1.466 114 T CA -0.425 61.756 62.100 0.135 0.000 1.562 114 T CB -0.119 68.794 68.868 0.075 0.000 0.924 114 T HN 0.834 nan 8.240 nan 0.000 0.678 115 T N 1.835 116.443 114.554 0.090 0.000 2.771 115 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 115 T C 0.282 174.970 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.152 0.000 0.944 115 T CB 0.819 69.350 68.868 -0.562 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.581 114.021 115.700 -0.163 0.000 2.543 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 116 S C -0.351 174.130 174.600 -0.199 0.000 1.152 116 S CA -0.533 57.619 58.200 -0.080 0.000 0.910 116 S CB 1.830 65.000 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.772 109.449 108.800 -0.206 0.000 2.392 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.260 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.260 117 G C -2.401 172.282 174.900 -0.361 0.000 1.226 117 G CA -0.703 44.206 45.100 -0.320 0.000 0.913 117 G HN 0.572 nan 8.290 nan 0.000 0.483 118 Y N -0.441 119.890 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.291 176.244 175.900 0.088 0.000 1.036 118 Y CA -0.692 57.421 58.100 0.021 0.000 1.125 118 Y CB 2.036 40.480 38.460 -0.027 0.000 1.194 118 Y HN 0.397 nan 8.280 nan 0.000 0.469 119 V N 4.464 124.488 119.914 0.183 0.000 2.349 119 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 119 V C -0.272 175.882 176.094 0.099 0.000 1.014 119 V CA 0.167 62.609 62.300 0.235 0.000 0.826 119 V CB 0.436 32.392 31.823 0.222 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.004 112.820 108.800 0.027 0.000 3.021 120 G HA2 0.683 4.643 3.960 -0.000 0.000 0.290 120 G HA3 0.683 4.643 3.960 -0.000 0.000 0.290 120 G C 0.329 175.322 174.900 0.156 0.000 1.291 120 G CA 0.042 45.113 45.100 -0.048 0.000 0.834 120 G HN 1.093 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.498 122.820 0.066 0.000 2.115 121 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 121 A C 1.153 178.911 177.584 0.290 0.000 1.169 121 A CA 1.878 54.053 52.037 0.231 0.000 0.787 121 A CB -0.124 18.955 19.000 0.131 0.000 0.858 121 A HN 1.763 nan 8.150 nan 0.000 0.474 122 T N -5.514 108.940 114.554 -0.166 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.876 175.020 174.700 -0.928 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.312 0.000 1.044 122 T CB 1.153 70.010 68.868 -0.019 0.000 1.184 122 T HN 0.961 nan 8.240 nan 0.000 0.477 123 A N 2.893 125.091 122.820 -1.036 0.000 1.923 123 A HA -0.092 4.228 4.320 -0.000 0.000 0.222 123 A C 2.404 179.727 177.584 -0.435 0.000 1.258 123 A CA 3.246 54.900 52.037 -0.638 0.000 0.670 123 A CB -1.882 17.075 19.000 -0.072 0.000 0.834 123 A HN 1.635 nan 8.150 nan 0.000 0.470 124 G N 0.154 108.790 108.800 -0.272 0.000 2.514 124 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 124 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 124 G C 1.146 175.911 174.900 -0.226 0.000 1.198 124 G CA 1.776 46.757 45.100 -0.199 0.000 0.780 124 G HN 0.859 nan 8.290 nan 0.000 0.565 125 D N -0.045 120.209 120.400 -0.243 0.000 2.333 125 D HA 0.361 5.001 4.640 -0.000 0.000 0.208 125 D C 2.240 178.388 176.300 -0.254 0.000 0.984 125 D CA 0.948 54.827 54.000 -0.202 0.000 0.873 125 D CB -0.178 40.539 40.800 -0.139 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.218 122.780 122.820 -0.430 0.000 2.119 126 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 126 A C 1.981 179.387 177.584 -0.297 0.000 1.153 126 A CA 0.439 52.207 52.037 -0.449 0.000 0.692 126 A CB -0.609 17.780 19.000 -1.018 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N -0.000 121.009 121.223 -0.357 0.000 2.362 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 127 L C 0.054 176.745 176.870 -0.298 0.000 1.134 127 L CA 1.672 56.247 54.840 -0.441 0.000 0.807 127 L CB -0.546 41.286 42.059 -0.377 0.000 0.927 127 L HN 0.315 nan 8.230 nan 0.000 0.447 128 D N -0.723 119.577 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.030 176.315 176.300 -0.026 0.000 1.183 128 D CA 0.179 54.128 54.000 -0.085 0.000 0.827 128 D CB -0.117 40.635 40.800 -0.080 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.294 120.011 118.700 0.028 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.755 172.821 175.510 0.110 0.000 1.834 129 N CA -0.804 52.266 53.050 0.034 0.000 0.871 129 N CB 1.399 39.875 38.487 -0.019 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.011 nan 4.420 nan 0.000 0.260 130 P C -0.043 177.229 177.300 -0.047 0.000 1.207 130 P CA 0.288 63.463 63.100 0.124 0.000 0.780 130 P CB 0.984 32.827 31.700 0.239 0.000 0.789 131 V N 4.922 124.768 119.914 -0.114 0.000 2.459 131 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.298 175.758 176.094 -0.063 0.000 1.029 131 V CA -0.199 62.039 62.300 -0.104 0.000 0.874 131 V CB 1.997 33.696 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.052 120.585 114.554 -0.035 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.247 174.969 174.700 0.037 0.000 0.982 132 T CA -0.333 61.757 62.100 -0.016 0.000 0.978 132 T CB 0.474 69.325 68.868 -0.029 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.703 120.442 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.199 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.786 37.733 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.671 108.292 108.800 0.273 0.000 2.653 134 G HA2 0.406 4.365 3.960 -0.000 0.000 0.265 134 G HA3 0.406 4.365 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.239 0.000 1.237 134 G CA -0.197 45.035 45.100 0.221 0.000 0.946 134 G HN 0.269 nan 8.290 nan 0.000 0.522 135 V N 0.656 120.613 119.914 0.071 0.000 2.313 135 V HA 0.661 4.781 4.120 -0.000 0.000 0.278 135 V C -1.101 174.944 176.094 -0.081 0.000 1.017 135 V CA -0.932 61.405 62.300 0.062 0.000 0.823 135 V CB -0.442 31.384 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.014 126.098 119.950 0.222 0.000 2.470 136 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 136 F C 0.102 176.036 175.800 0.224 0.000 1.072 136 F CA -0.866 57.292 58.000 0.264 0.000 0.989 136 F CB 2.004 41.213 39.000 0.349 0.000 1.193 136 F HN 0.384 nan 8.300 nan 0.000 0.481 137 I N 2.103 122.894 120.570 0.368 0.000 2.389 137 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 137 I C -0.151 176.046 176.117 0.134 0.000 0.999 137 I CA -0.438 60.999 61.300 0.230 0.000 1.129 137 I CB 1.012 39.107 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.892 119.583 115.700 -0.016 0.000 2.584 138 S HA 0.124 4.594 4.470 -0.000 0.000 0.270 138 S C 1.094 175.583 174.600 -0.186 0.000 1.346 138 S CA -0.068 57.891 58.200 -0.402 0.000 1.018 138 S CB 1.282 64.100 63.200 -0.635 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.638 116.077 114.554 -0.192 0.000 2.597 139 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 139 T C 1.835 176.511 174.700 -0.040 0.000 1.053 139 T CA 1.635 63.685 62.100 -0.084 0.000 1.165 139 T CB -0.715 68.110 68.868 -0.072 0.000 0.863 139 T HN 0.623 nan 8.240 nan 0.000 0.427 140 V N 1.217 121.134 119.914 0.004 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.372 178.497 176.094 0.051 0.000 1.088 140 V CA 1.745 64.080 62.300 0.058 0.000 1.106 140 V CB -0.475 31.448 31.823 0.167 0.000 0.686 140 V HN 0.400 nan 8.190 nan 0.000 0.481 141 Q N 0.045 119.861 119.800 0.026 0.000 2.123 141 Q HA 0.023 4.363 4.340 -0.000 0.000 0.196 141 Q C 2.244 178.216 176.000 -0.047 0.000 0.958 141 Q CA 1.951 57.789 55.803 0.058 0.000 0.841 141 Q CB -0.509 28.278 28.738 0.083 0.000 0.915 141 Q HN 0.893 nan 8.270 nan 0.000 0.455 142 I N -2.027 118.500 120.570 -0.071 0.000 2.800 142 I HA -0.218 3.952 4.170 -0.000 0.000 0.266 142 I C 1.580 177.596 176.117 -0.168 0.000 1.249 142 I CA 0.942 62.161 61.300 -0.135 0.000 1.458 142 I CB 0.001 37.963 38.000 -0.065 0.000 1.093 142 I HN 0.031 nan 8.210 nan 0.000 0.466 143 M N 1.414 120.945 119.600 -0.114 0.000 2.325 143 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 143 M C 1.917 178.132 176.300 -0.143 0.000 1.094 143 M CA 1.363 56.601 55.300 -0.104 0.000 1.161 143 M CB -1.251 31.322 32.600 -0.045 0.000 1.358 143 M HN 0.354 nan 8.290 nan 0.000 0.446 144 N N 0.598 119.221 118.700 -0.127 0.000 2.109 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 144 N C 1.697 176.920 175.510 -0.479 0.000 1.034 144 N CA 0.882 53.853 53.050 -0.131 0.000 0.846 144 N CB -0.896 37.682 38.487 0.152 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.494 122.089 121.223 -1.046 0.000 2.270 145 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.156 178.581 176.870 -0.743 0.000 1.107 145 L CA 1.697 55.643 54.840 -1.491 0.000 0.772 145 L CB -0.392 40.848 42.059 -1.366 0.000 0.902 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.061 119.559 119.800 -0.503 0.000 1.990 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.195 146 Q C 2.375 178.240 176.000 -0.225 0.000 0.977 146 Q CA 1.385 56.991 55.803 -0.328 0.000 0.828 146 Q CB -0.251 28.343 28.738 -0.239 0.000 0.896 146 Q HN 0.478 nan 8.270 nan 0.000 0.447 147 R N -0.095 120.302 120.500 -0.171 0.000 2.293 147 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 147 R C 2.022 178.264 176.300 -0.096 0.000 1.091 147 R CA 1.154 57.189 56.100 -0.109 0.000 1.004 147 R CB 0.094 30.351 30.300 -0.072 0.000 0.865 147 R HN 0.299 nan 8.270 nan 0.000 0.469 148 T N 0.677 115.153 114.554 -0.130 0.000 2.781 148 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 148 T C 1.713 176.365 174.700 -0.080 0.000 1.039 148 T CA 0.590 62.649 62.100 -0.069 0.000 1.147 148 T CB 0.037 68.901 68.868 -0.007 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.400 121.891 120.570 -0.133 0.000 2.399 149 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 149 I C 2.579 178.654 176.117 -0.070 0.000 1.146 149 I CA 0.900 62.145 61.300 -0.092 0.000 1.412 149 I CB -0.258 37.660 38.000 -0.137 0.000 1.076 149 I HN 0.221 nan 8.210 nan 0.000 0.432 150 A N 0.344 123.112 122.820 -0.087 0.000 1.855 150 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 150 A C 2.542 180.088 177.584 -0.063 0.000 1.195 150 A CA 1.241 53.236 52.037 -0.071 0.000 0.610 150 A CB -0.785 18.170 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.135 122.650 122.820 -0.058 0.000 1.865 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 151 A C 2.219 179.772 177.584 -0.051 0.000 1.191 151 A CA 1.642 53.648 52.037 -0.052 0.000 0.623 151 A CB -0.514 18.463 19.000 -0.038 0.000 0.826 151 A HN 0.366 nan 8.150 nan 0.000 0.444 152 R N -1.607 118.876 120.500 -0.030 0.000 2.096 152 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 152 R C 1.994 178.293 176.300 -0.002 0.000 1.127 152 R CA 1.536 57.651 56.100 0.025 0.000 0.968 152 R CB -0.846 29.472 30.300 0.030 0.000 0.861 152 R HN 0.515 nan 8.270 nan 0.000 0.440 153 M N 0.625 120.205 119.600 -0.034 0.000 2.149 153 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 153 M C 2.164 178.375 176.300 -0.148 0.000 1.064 153 M CA 1.481 56.742 55.300 -0.065 0.000 1.102 153 M CB -0.515 32.059 32.600 -0.044 0.000 1.369 153 M HN 0.025 nan 8.290 nan 0.000 0.408 154 R N -0.065 120.343 120.500 -0.153 0.000 2.075 154 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 154 R C 1.671 177.749 176.300 -0.371 0.000 1.140 154 R CA 2.039 58.014 56.100 -0.208 0.000 0.928 154 R CB -0.526 29.680 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.256 120.417 120.400 -0.398 0.000 2.204 155 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 155 D C 1.812 177.241 176.300 -1.453 0.000 1.006 155 D CA 1.874 55.398 54.000 -0.794 0.000 0.855 155 D CB -0.709 39.853 40.800 -0.397 0.000 0.946 155 D HN 0.234 nan 8.370 nan 0.000 0.448 156 V N 0.975 120.310 119.914 -0.965 0.000 2.307 156 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 156 V C 2.338 177.956 176.094 -0.793 0.000 1.045 156 V CA 2.323 64.003 62.300 -1.032 0.000 1.024 156 V CB -0.655 30.681 31.823 -0.812 0.000 0.651 156 V HN 0.246 nan 8.190 nan 0.000 0.449 157 A N 0.062 122.591 122.820 -0.485 0.000 2.009 157 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 157 A C 2.167 179.560 177.584 -0.319 0.000 1.175 157 A CA 2.442 54.298 52.037 -0.302 0.000 0.651 157 A CB -0.582 18.295 19.000 -0.205 0.000 0.815 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 L N -2.096 118.855 121.223 -0.454 0.000 2.022 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.204 158 L C 2.810 179.565 176.870 -0.192 0.000 1.076 158 L CA 1.388 56.016 54.840 -0.354 0.000 0.749 158 L CB -1.176 40.645 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.740 121.954 121.300 -0.142 0.000 2.317 159 W HA -0.253 4.407 4.660 -0.000 0.000 0.318 159 W C 2.583 179.146 176.519 0.074 0.000 1.227 159 W CA 0.900 58.291 57.345 0.078 0.000 1.269 159 W CB -1.383 27.919 29.460 -0.264 0.000 1.155 159 W HN 0.375 nan 8.180 nan 0.000 0.484 160 Q N 1.567 121.276 119.800 -0.153 0.000 2.325 160 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 160 Q C 2.061 178.180 176.000 0.200 0.000 0.988 160 Q CA 2.372 58.233 55.803 0.095 0.000 0.887 160 Q CB -0.357 28.360 28.738 -0.035 0.000 0.915 160 Q HN 0.515 nan 8.270 nan 0.000 0.440 161 K N -1.383 119.029 120.400 0.021 0.000 2.137 161 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 161 K C 1.791 178.351 176.600 -0.066 0.000 1.052 161 K CA 0.840 57.095 56.287 -0.054 0.000 0.961 161 K CB -0.205 32.181 32.500 -0.190 0.000 0.741 161 K HN 0.253 nan 8.250 nan 0.000 0.452 162 H N 0.838 119.949 119.070 0.070 0.000 2.357 162 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 162 H C 2.168 177.403 175.328 -0.155 0.000 1.082 162 H CA 1.444 57.463 56.048 -0.048 0.000 1.342 162 H CB -0.179 29.535 29.762 -0.081 0.000 1.389 162 H HN 0.193 nan 8.280 nan 0.000 0.511 163 L N 1.488 122.735 121.223 0.040 0.000 2.079 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 163 L C 1.943 178.860 176.870 0.079 0.000 1.081 163 L CA 2.030 56.894 54.840 0.040 0.000 0.752 163 L CB -0.650 41.727 42.059 0.531 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.345 119.141 120.400 0.142 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.504 176.300 0.042 0.000 0.986 164 D CA 1.896 55.964 54.000 0.113 0.000 0.829 164 D CB -0.196 40.691 40.800 0.145 0.000 0.983 164 D HN 0.524 nan 8.370 nan 0.000 0.453 165 T N -2.076 112.494 114.554 0.026 0.000 2.896 165 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 165 T C 1.699 176.395 174.700 -0.006 0.000 1.104 165 T CA 1.541 63.647 62.100 0.011 0.000 1.115 165 T CB -0.413 68.461 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.065 122.869 122.820 -0.027 0.000 1.973 166 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 166 A C 2.155 179.713 177.584 -0.044 0.000 1.200 166 A CA 0.814 52.820 52.037 -0.053 0.000 0.707 166 A CB -0.453 18.491 19.000 -0.095 0.000 0.862 166 A HN 0.429 nan 8.150 nan 0.000 0.461 167 M N 0.834 120.385 119.600 -0.082 0.000 2.074 167 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 167 M C 2.317 178.575 176.300 -0.069 0.000 1.079 167 M CA 2.629 57.816 55.300 -0.188 0.000 1.119 167 M CB -0.915 31.386 32.600 -0.498 0.000 1.297 167 M HN 0.521 nan 8.290 nan 0.000 0.416 168 T N -1.435 113.116 114.554 -0.006 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.609 176.356 174.700 0.078 0.000 1.104 168 T CA 1.213 63.351 62.100 0.063 0.000 1.114 168 T CB -0.845 68.070 68.868 0.078 0.000 0.867 168 T HN 0.505 nan 8.240 nan 0.000 0.513 169 M N 1.610 121.250 119.600 0.067 0.000 2.766 169 M HA 0.247 4.727 4.480 -0.000 0.000 0.208 169 M C -0.242 176.182 176.300 0.206 0.000 1.152 169 M CA 0.501 55.862 55.300 0.102 0.000 1.013 169 M CB -0.760 31.874 32.600 0.057 0.000 1.813 169 M HN 0.560 nan 8.290 nan 0.000 0.478 170 L N -2.639 118.719 121.223 0.224 0.000 2.562 170 L HA 0.230 4.570 4.340 -0.000 0.000 0.307 170 L C -0.206 176.899 176.870 0.392 0.000 1.292 170 L CA -0.486 54.582 54.840 0.380 0.000 0.654 170 L CB -1.375 40.889 42.059 0.342 0.000 0.997 170 L HN 0.025 nan 8.230 nan 0.000 0.521 171 T N 1.309 116.022 114.554 0.265 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.338 173.551 174.700 0.316 0.000 0.794 171 T CA 0.777 63.013 62.100 0.226 0.000 3.697 171 T CB -0.694 68.262 68.868 0.147 0.000 0.878 171 T HN 0.599 nan 8.240 nan 0.000 0.259 172 P HA 0.160 nan 4.420 nan 0.000 0.258 172 P C -0.334 177.110 177.300 0.240 0.000 1.403 172 P CA 0.299 63.547 63.100 0.246 0.000 0.826 172 P CB 0.462 32.263 31.700 0.168 0.000 1.414 173 D N 0.875 121.408 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.251 176.635 176.300 0.139 0.000 1.222 173 D CA -0.398 53.704 54.000 0.170 0.000 0.895 173 D CB 1.779 42.668 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.912 119.736 120.570 0.131 0.000 2.947 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.314 174 I C 0.528 176.687 176.117 0.070 0.000 1.028 174 I CA -0.710 60.650 61.300 0.099 0.000 1.077 174 I CB 2.105 40.178 38.000 0.120 0.000 1.274 174 I HN 0.149 nan 8.210 nan 0.000 0.485 175 S N 1.302 117.032 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.026 174.590 174.600 0.027 0.000 1.021 175 S CA 0.004 58.226 58.200 0.036 0.000 1.067 175 S CB 0.271 63.490 63.200 0.032 0.000 1.002 175 S HN 1.180 nan 8.310 nan 0.000 0.574 176 A N 0.452 123.290 122.820 0.030 0.000 2.500 176 A HA 0.786 5.106 4.320 -0.000 0.000 0.288 176 A C 0.557 178.157 177.584 0.028 0.000 1.045 176 A CA -0.053 51.998 52.037 0.023 0.000 0.830 176 A CB 0.363 19.374 19.000 0.019 0.000 1.337 176 A HN 1.713 nan 8.150 nan 0.000 0.400 177 G N 1.352 110.165 108.800 0.021 0.000 2.692 177 G HA2 0.127 4.087 3.960 -0.000 0.000 0.248 177 G HA3 0.127 4.087 3.960 -0.000 0.000 0.248 177 G C 0.524 175.445 174.900 0.036 0.000 1.340 177 G CA 0.181 45.295 45.100 0.024 0.000 0.896 177 G HN 1.644 nan 8.290 nan 0.000 0.570 178 S N -1.167 114.558 115.700 0.041 0.000 2.589 178 S HA 0.967 5.437 4.470 -0.000 0.000 0.272 178 S C 0.345 174.998 174.600 0.089 0.000 1.096 178 S CA 0.847 59.081 58.200 0.056 0.000 0.985 178 S CB 1.364 64.585 63.200 0.035 0.000 1.278 178 S HN 2.516 nan 8.310 nan 0.000 0.528 179 A N 1.091 123.972 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.266 177.395 177.584 0.128 0.000 0.940 179 A CA -0.422 51.711 52.037 0.159 0.000 0.663 179 A CB -0.645 18.509 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.365 174.864 174.600 -0.169 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.862 63.200 -0.039 0.000 1.159 180 S HN 2.413 nan 8.310 nan 0.000 0.534 181 C N 2.375 121.539 119.300 -0.227 0.000 3.212 181 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 181 C C -0.379 174.544 174.990 -0.111 0.000 0.979 181 C CA -0.697 58.175 59.018 -0.244 0.000 1.283 181 C CB -1.652 25.697 27.740 -0.652 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.749 122.429 118.700 -0.033 0.000 1.801 182 N HA -0.198 4.542 4.740 -0.000 0.000 0.315 182 N C 1.206 176.760 175.510 0.073 0.000 1.326 182 N CA 0.994 54.063 53.050 0.031 0.000 0.840 182 N CB 0.224 38.724 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.988 125.232 121.300 -0.095 0.000 2.275 183 W HA -0.373 4.287 4.660 -0.000 0.000 0.321 183 W C 1.162 177.637 176.519 -0.073 0.000 1.269 183 W CA 1.426 58.716 57.345 -0.092 0.000 1.274 183 W CB -0.130 29.283 29.460 -0.079 0.000 1.141 183 W HN 0.602 nan 8.180 nan 0.000 0.493 184 K N 0.344 120.719 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.055 178.542 176.600 -0.189 0.000 1.053 184 K CA 2.068 58.266 56.287 -0.147 0.000 0.959 184 K CB -1.256 31.227 32.500 -0.030 0.000 0.728 184 K HN 0.118 nan 8.250 nan 0.000 0.447 185 S N 1.648 117.296 115.700 -0.087 0.000 2.389 185 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 185 S C 1.985 176.521 174.600 -0.107 0.000 1.048 185 S CA 1.646 59.826 58.200 -0.034 0.000 1.117 185 S CB -0.601 62.594 63.200 -0.007 0.000 1.020 185 S HN 0.253 nan 8.310 nan 0.000 0.430 186 L N 1.394 122.497 121.223 -0.200 0.000 2.011 186 L HA -0.204 4.136 4.340 -0.000 0.000 0.225 186 L C 2.190 178.876 176.870 -0.307 0.000 1.084 186 L CA 1.800 56.488 54.840 -0.253 0.000 0.791 186 L CB -0.693 41.193 42.059 -0.287 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.241 119.611 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.235 176.870 -0.337 0.000 1.072 187 L CA 1.574 56.046 54.840 -0.613 0.000 0.749 187 L CB -0.768 40.786 42.059 -0.841 0.000 0.889 187 L HN 0.398 nan 8.230 nan 0.000 0.432 188 A N -0.849 121.823 122.820 -0.246 0.000 2.148 188 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 188 A C 2.022 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.942 53.904 52.037 -0.124 0.000 0.662 188 A CB -0.858 18.130 19.000 -0.020 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.390 120.095 119.950 -0.409 0.000 2.123 189 F HA 0.229 4.756 4.527 -0.000 0.000 0.289 189 F C 2.380 177.810 175.800 -0.617 0.000 1.099 189 F CA 1.096 58.612 58.000 -0.807 0.000 1.234 189 F CB -0.679 37.839 39.000 -0.803 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.407 122.840 122.820 -0.645 0.000 2.070 190 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 190 A C 2.168 179.469 177.584 -0.473 0.000 1.159 190 A CA 1.529 53.181 52.037 -0.642 0.000 0.656 190 A CB -0.912 17.909 19.000 -0.298 0.000 0.800 190 A HN 0.516 nan 8.150 nan 0.000 0.453 191 K N -0.463 119.713 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.825 177.274 176.600 -0.251 0.000 1.046 191 K CA 1.639 57.773 56.287 -0.254 0.000 0.938 191 K CB -0.097 32.292 32.500 -0.186 0.000 0.737 191 K HN 0.580 nan 8.250 nan 0.000 0.458 192 D N -0.147 120.031 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.891 176.300 -0.344 0.000 1.290 192 D CA 0.427 54.247 54.000 -0.300 0.000 0.994 192 D CB -0.276 40.347 40.800 -0.296 0.000 1.014 192 D HN -0.136 nan 8.370 nan 0.000 0.378 193 I N 1.136 121.385 120.570 -0.535 0.000 2.253 193 I HA -0.295 3.875 4.170 -0.000 0.000 0.234 193 I C 0.990 176.952 176.117 -0.259 0.000 0.978 193 I CA 1.065 62.117 61.300 -0.414 0.000 1.271 193 I CB -1.303 36.333 38.000 -0.606 0.000 0.978 193 I HN 0.149 nan 8.210 nan 0.000 0.394 194 L N 3.797 124.858 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.728 175.071 176.870 -0.119 0.000 1.166 194 L CA -0.553 54.186 54.840 -0.168 0.000 0.969 194 L CB -0.851 41.104 42.059 -0.173 0.000 1.304 194 L HN 0.151 nan 8.230 nan 0.000 0.474 195 P HA -0.047 nan 4.420 nan 0.000 0.268 195 P C 0.787 178.059 177.300 -0.047 0.000 1.205 195 P CA -0.550 62.520 63.100 -0.050 0.000 0.771 195 P CB 0.775 32.461 31.700 -0.023 0.000 0.858 196 L N 1.572 122.769 121.223 -0.043 0.000 2.671 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 196 L C 0.656 177.504 176.870 -0.037 0.000 1.178 196 L CA 1.805 56.620 54.840 -0.043 0.000 0.829 196 L CB -1.554 40.484 42.059 -0.033 0.000 0.956 196 L HN 0.394 nan 8.230 nan 0.000 0.455 197 D N -2.002 118.385 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.991 177.278 176.300 -0.023 0.000 1.294 197 D CA -0.116 53.879 54.000 -0.009 0.000 0.824 197 D CB 0.259 41.078 40.800 0.032 0.000 1.070 197 D HN 0.211 nan 8.370 nan 0.000 0.487 198 N N 0.242 118.899 118.700 -0.071 0.000 2.199 198 N HA 0.165 4.905 4.740 -0.000 0.000 0.254 198 N C 0.520 175.684 175.510 -0.577 0.000 1.299 198 N CA 0.147 53.116 53.050 -0.134 0.000 0.940 198 N CB 0.482 38.923 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.004 119.938 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.651 177.555 176.870 0.056 0.000 1.098 199 L CA 0.225 54.979 54.840 -0.143 0.000 1.557 199 L CB -1.114 40.927 42.059 -0.029 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.311 118.815 119.300 -0.289 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.122 177.087 174.990 -0.041 0.000 1.278 200 C CA 0.135 59.003 59.018 -0.250 0.000 1.708 200 C CB -0.654 26.871 27.740 -0.358 0.000 1.860 200 C HN 0.438 nan 8.230 nan 0.000 0.589 201 L N -0.467 120.723 121.223 -0.056 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.477 179.300 176.870 -0.078 0.000 1.071 201 L CA 0.934 55.733 54.840 -0.068 0.000 0.850 201 L CB -0.508 41.495 42.059 -0.094 0.000 1.040 201 L HN 0.141 nan 8.230 nan 0.000 0.475 202 T N -1.250 113.250 114.554 -0.090 0.000 3.043 202 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 202 T C 0.403 174.789 174.700 -0.524 0.000 1.094 202 T CA 1.001 62.917 62.100 -0.307 0.000 1.127 202 T CB -0.009 68.649 68.868 -0.350 0.000 0.905 202 T HN 0.215 nan 8.240 nan 0.000 0.490 203 Y N -0.776 119.596 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.871 174.133 175.900 0.172 0.000 1.132 203 Y CA -2.359 55.807 58.100 0.110 0.000 1.142 203 Y CB 0.320 38.788 38.460 0.014 0.000 1.222 203 Y HN 0.012 nan 8.280 nan 0.000 0.575 204 P HA -0.316 nan 4.420 nan 0.000 0.229 204 P C 0.095 177.547 177.300 0.253 0.000 1.073 204 P CA 2.358 65.566 63.100 0.180 0.000 1.022 204 P CB -0.019 31.717 31.700 0.060 0.000 0.752 205 N N -1.759 117.064 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.469 176.084 175.510 0.176 0.000 1.511 205 N CA -0.273 52.925 53.050 0.248 0.000 1.097 205 N CB 0.523 39.125 38.487 0.193 0.000 1.395 205 N HN 0.074 nan 8.380 nan 0.000 0.511 206 E N -1.146 119.157 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.083 176.453 176.600 -0.106 0.000 0.898 206 E CA -0.005 56.404 56.400 0.014 0.000 1.422 206 E CB 0.151 29.870 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.865 119.139 119.950 0.090 0.000 2.500 207 F HA 0.146 4.673 4.527 -0.000 0.000 0.285 207 F C 1.683 177.540 175.800 0.094 0.000 1.088 207 F CA 0.380 58.444 58.000 0.106 0.000 1.432 207 F CB -0.148 38.954 39.000 0.170 0.000 1.131 207 F HN 0.083 nan 8.300 nan 0.000 0.582 208 Y N 1.769 122.191 120.300 0.203 0.000 2.114 208 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 208 Y C 2.136 178.023 175.900 -0.023 0.000 1.165 208 Y CA 1.951 60.120 58.100 0.115 0.000 1.148 208 Y CB -0.865 37.676 38.460 0.135 0.000 0.972 208 Y HN 0.037 nan 8.280 nan 0.000 0.504 209 N N -0.463 118.134 118.700 -0.173 0.000 2.244 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 209 N C 1.880 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.581 54.399 53.050 -0.386 0.000 0.866 209 N CB -0.146 38.214 38.487 -0.212 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.804 121.486 119.914 -0.387 0.000 2.323 210 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 210 V C 2.611 178.428 176.094 -0.462 0.000 1.041 210 V CA 1.661 63.655 62.300 -0.511 0.000 1.025 210 V CB -0.921 30.574 31.823 -0.546 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.290 122.991 122.820 -0.200 0.000 1.859 211 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.037 0.000 1.198 211 A CA 2.281 54.346 52.037 0.048 0.000 0.629 211 A CB -0.805 18.290 19.000 0.158 0.000 0.830 211 A HN 0.469 nan 8.150 nan 0.000 0.446 212 I N -0.674 119.697 120.570 -0.332 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.886 177.947 176.117 -0.094 0.000 1.132 212 I CA 1.797 62.910 61.300 -0.313 0.000 1.397 212 I CB -0.407 37.285 38.000 -0.513 0.000 1.074 212 I HN 0.518 nan 8.210 nan 0.000 0.435 213 H N -0.926 118.039 119.070 -0.175 0.000 2.539 213 H HA 0.135 4.691 4.556 -0.000 0.000 0.267 213 H C 1.791 176.991 175.328 -0.213 0.000 0.982 213 H CA -0.101 55.845 56.048 -0.170 0.000 1.146 213 H CB 0.327 29.964 29.762 -0.207 0.000 1.382 213 H HN 0.281 nan 8.280 nan 0.000 0.577 214 R N -0.474 119.914 120.500 -0.187 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.663 175.146 176.300 -0.818 0.000 0.885 214 R CA 0.076 55.872 56.100 -0.507 0.000 1.018 214 R CB 0.814 30.702 30.300 -0.687 0.000 1.259 214 R HN 0.131 nan 8.270 nan 0.000 0.597 215 Y N 1.884 122.180 120.300 -0.006 0.000 2.555 215 Y HA 0.302 4.852 4.550 -0.000 0.000 0.326 215 Y C -1.855 174.036 175.900 -0.015 0.000 0.984 215 Y CA -2.839 55.267 58.100 0.010 0.000 1.298 215 Y CB 1.379 39.857 38.460 0.031 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.035 nan 4.420 nan 0.000 0.259 216 P C 0.753 178.062 177.300 0.016 0.000 1.307 216 P CA 0.720 63.820 63.100 0.000 0.000 0.768 216 P CB 0.221 31.906 31.700 -0.026 0.000 1.199 217 A N 0.318 123.188 122.820 0.083 0.000 1.871 217 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 217 A C 1.311 178.896 177.584 0.002 0.000 1.207 217 A CA 0.334 52.406 52.037 0.059 0.000 0.620 217 A CB -0.902 18.167 19.000 0.115 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.750 122.988 121.223 0.024 0.000 2.485 218 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 218 L C -0.518 176.272 176.870 -0.133 0.000 1.124 218 L CA 0.107 54.904 54.840 -0.072 0.000 0.888 218 L CB 0.077 42.137 42.059 0.003 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.288 125.583 120.400 -0.176 0.000 2.293 219 K HA 0.416 4.736 4.320 -0.000 0.000 0.267 219 K C -2.264 174.234 176.600 -0.170 0.000 1.010 219 K CA -1.755 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.127 33.547 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.033 nan 4.420 nan 0.000 0.271 220 P C -0.043 177.222 177.300 -0.058 0.000 1.216 220 P CA -0.358 62.702 63.100 -0.067 0.000 0.776 220 P CB 0.829 32.501 31.700 -0.046 0.000 0.881 221 G N 2.279 111.044 108.800 -0.059 0.000 2.354 221 G HA2 0.027 3.987 3.960 -0.000 0.000 0.266 221 G HA3 0.027 3.987 3.960 -0.000 0.000 0.266 221 G C 0.298 175.195 174.900 -0.005 0.000 1.242 221 G CA -0.277 44.799 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.211 121.911 118.700 -0.000 0.000 2.412 222 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 222 N C -1.038 174.479 175.510 0.011 0.000 1.236 222 N CA -1.674 51.382 53.050 0.010 0.000 0.882 222 N CB 1.374 39.868 38.487 0.012 0.000 1.066 222 N HN 0.086 nan 8.380 nan 0.000 0.465 223 P HA -0.076 nan 4.420 nan 0.000 0.214 223 P C -0.447 176.860 177.300 0.012 0.000 1.163 223 P CA 1.369 64.478 63.100 0.016 0.000 0.883 223 P CB 0.205 31.916 31.700 0.018 0.000 0.788 224 D N -1.650 118.756 120.400 0.009 0.000 3.139 224 D HA 0.195 4.835 4.640 -0.000 0.000 0.268 224 D C 0.519 176.823 176.300 0.006 0.000 1.322 224 D CA 0.414 54.419 54.000 0.007 0.000 0.940 224 D CB -0.287 40.516 40.800 0.006 0.000 1.050 224 D HN -0.019 nan 8.370 nan 0.000 0.503 225 T N -0.952 113.606 114.554 0.007 0.000 4.881 225 T HA -0.091 4.259 4.350 -0.000 0.000 0.309 225 T C 0.337 175.041 174.700 0.005 0.000 0.953 225 T CA -0.333 61.771 62.100 0.006 0.000 0.552 225 T CB -0.282 68.589 68.868 0.005 0.000 0.856 225 T HN 0.096 nan 8.240 nan 0.000 0.584 226 K N 0.754 121.158 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.689 175.912 176.600 0.002 0.000 0.895 226 K CA 0.562 56.853 56.287 0.007 0.000 0.664 226 K CB -0.907 31.599 32.500 0.010 0.000 1.388 226 K HN 0.286 nan 8.250 nan 0.000 0.472 227 L N -1.609 119.613 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.779 175.082 176.870 -0.016 0.000 1.015 227 L CA -2.444 52.391 54.840 -0.008 0.000 0.821 227 L CB 1.750 43.808 42.059 -0.003 0.000 1.370 227 L HN -0.199 nan 8.230 nan 0.000 0.416 228 P HA 0.054 nan 4.420 nan 0.000 0.286 228 P C -0.433 176.858 177.300 -0.016 0.000 1.394 228 P CA 0.509 63.586 63.100 -0.039 0.000 0.763 228 P CB 0.414 32.082 31.700 -0.053 0.000 1.632 229 D N -4.611 115.779 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.762 177.062 176.300 -0.001 0.000 1.267 229 D CA 0.708 54.719 54.000 0.018 0.000 0.958 229 D CB 0.387 41.225 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.169 122.970 122.820 -0.032 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.517 178.056 177.584 -0.076 0.000 1.764 230 A CA 1.473 53.488 52.037 -0.037 0.000 1.092 230 A CB -1.321 17.672 19.000 -0.012 0.000 1.471 230 A HN 0.271 nan 8.150 nan 0.000 0.722 231 Q N 0.827 120.578 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.845 176.000 -0.461 0.000 1.013 231 Q CA 0.775 56.461 55.803 -0.195 0.000 0.895 231 Q CB 0.598 29.297 28.738 -0.065 0.000 1.271 231 Q HN 1.497 nan 8.270 nan 0.000 0.460 232 A N 2.905 125.430 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 232 A C -0.855 176.373 177.584 -0.592 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.558 19.430 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.873 122.935 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.514 172.811 175.328 -0.005 0.000 1.612 233 H CA -1.591 54.449 56.048 -0.013 0.000 1.279 233 H CB -0.206 29.545 29.762 -0.018 0.000 1.562 233 H HN 0.519 nan 8.280 nan 0.000 0.553 234 P HA 0.038 nan 4.420 nan 0.000 0.284 234 P C 1.265 178.585 177.300 0.034 0.000 1.253 234 P CA -0.666 62.458 63.100 0.039 0.000 0.800 234 P CB 2.008 33.705 31.700 -0.006 0.000 0.961 235 L N 2.417 123.646 121.223 0.010 0.000 2.211 235 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 235 L C 2.049 179.022 176.870 0.171 0.000 1.092 235 L CA 2.378 57.281 54.840 0.104 0.000 0.767 235 L CB -1.888 40.254 42.059 0.139 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.403 107.463 108.800 0.109 0.000 3.379 236 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G C 1.184 176.115 174.900 0.053 0.000 1.262 236 G CA 0.169 45.323 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.018 120.246 120.200 0.047 0.000 2.170 237 E HA -0.290 4.060 4.350 -0.000 0.000 0.229 237 E C 2.424 179.058 176.600 0.056 0.000 1.074 237 E CA 2.402 58.828 56.400 0.043 0.000 0.930 237 E CB -0.269 29.456 29.700 0.042 0.000 0.806 237 E HN 0.252 nan 8.360 nan 0.000 0.478 238 V N 0.220 120.179 119.914 0.074 0.000 2.255 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 238 V C 2.355 178.582 176.094 0.221 0.000 1.038 238 V CA 1.820 64.216 62.300 0.160 0.000 1.008 238 V CB -1.224 30.681 31.823 0.137 0.000 0.645 238 V HN 0.507 nan 8.190 nan 0.000 0.449 239 A N 1.007 123.909 122.820 0.136 0.000 1.903 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 239 A C 2.372 180.034 177.584 0.130 0.000 1.191 239 A CA 2.438 54.553 52.037 0.130 0.000 0.638 239 A CB -1.460 17.584 19.000 0.073 0.000 0.823 239 A HN 0.591 nan 8.150 nan 0.000 0.451 240 G N -1.323 107.525 108.800 0.080 0.000 2.471 240 G HA2 0.100 4.060 3.960 -0.000 0.000 0.219 240 G HA3 0.100 4.060 3.960 -0.000 0.000 0.219 240 G C 1.564 176.480 174.900 0.026 0.000 1.125 240 G CA 1.305 46.432 45.100 0.046 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.369 123.202 122.820 0.022 0.000 1.898 241 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 241 A C 1.627 179.086 177.584 -0.209 0.000 1.183 241 A CA 0.469 52.441 52.037 -0.108 0.000 0.622 241 A CB -0.294 18.611 19.000 -0.158 0.000 0.824 241 A HN 0.258 nan 8.150 nan 0.000 0.444 242 F N 0.586 120.537 119.950 0.000 0.000 2.695 242 F HA 0.158 4.685 4.527 -0.000 0.000 0.301 242 F C 1.346 177.149 175.800 0.005 0.000 1.182 242 F CA 0.199 58.200 58.000 0.001 0.000 1.412 242 F CB 0.142 39.140 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.310 118.453 118.700 0.106 0.000 2.211 243 N HA 0.190 4.930 4.740 -0.000 0.000 0.216 243 N C 0.703 176.239 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.217 38.749 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.202 124.028 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.639 178.225 177.584 0.003 0.000 1.055 244 A CA 0.158 52.194 52.037 -0.002 0.000 0.756 244 A CB 0.005 18.984 19.000 -0.035 0.000 0.986 244 A HN 0.252 nan 8.150 nan 0.000 0.505 245 A N 3.627 126.453 122.820 0.011 0.000 2.785 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 245 A C 0.983 178.567 177.584 0.001 0.000 1.597 245 A CA 0.308 52.353 52.037 0.013 0.000 1.283 245 A CB -1.379 17.632 19.000 0.018 0.000 1.088 245 A HN 1.362 nan 8.150 nan 0.000 0.568 246 T N 0.928 115.479 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.401 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.141 62.231 62.100 -0.017 0.000 1.168 246 T CB 0.638 69.491 68.868 -0.026 0.000 0.911 246 T HN 1.047 nan 8.240 nan 0.000 0.535 247 S N 1.775 117.471 115.700 -0.008 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.456 176.055 174.600 -0.001 0.000 1.010 247 S CA 0.847 59.045 58.200 -0.002 0.000 0.972 247 S CB -0.385 62.813 63.200 -0.003 0.000 0.774 247 S HN 0.742 nan 8.310 nan 0.000 0.501 248 E N 1.288 121.487 120.200 -0.002 0.000 2.072 248 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 248 E C 0.759 177.362 176.600 0.005 0.000 0.982 248 E CA 1.067 57.467 56.400 0.000 0.000 0.803 248 E CB -0.192 29.508 29.700 0.000 0.000 0.755 248 E HN 0.710 nan 8.360 nan 0.000 0.453 249 V N -3.220 116.699 119.914 0.008 0.000 2.567 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 249 V C 1.145 177.248 176.094 0.016 0.000 1.047 249 V CA -0.477 61.831 62.300 0.013 0.000 0.880 249 V CB 1.003 32.836 31.823 0.018 0.000 1.009 249 V HN 0.238 nan 8.190 nan 0.000 0.429 250 G N 3.942 112.751 108.800 0.015 0.000 3.824 250 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G C 0.685 175.599 174.900 0.022 0.000 0.963 250 G CA 1.638 46.748 45.100 0.017 0.000 0.865 250 G HN 2.041 nan 8.290 nan 0.000 1.379 251 S N -1.481 114.237 115.700 0.029 0.000 2.652 251 S HA 0.466 4.936 4.470 -0.000 0.000 0.273 251 S C 1.044 175.674 174.600 0.051 0.000 1.172 251 S CA -0.141 58.083 58.200 0.039 0.000 1.009 251 S CB 0.691 63.914 63.200 0.038 0.000 1.094 251 S HN 0.477 nan 8.310 nan 0.000 0.471 252 L N 4.298 125.565 121.223 0.073 0.000 2.013 252 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 252 L C 2.587 179.499 176.870 0.071 0.000 1.073 252 L CA 1.694 56.586 54.840 0.087 0.000 0.753 252 L CB -0.914 41.238 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.377 120.338 119.914 0.079 0.000 2.594 253 V HA -0.170 3.950 4.120 -0.000 0.000 0.253 253 V C 2.169 178.288 176.094 0.041 0.000 1.069 253 V CA 2.063 64.398 62.300 0.058 0.000 1.082 253 V CB -0.442 31.420 31.823 0.064 0.000 0.680 253 V HN 0.502 nan 8.190 nan 0.000 0.469 254 G N -0.210 108.614 108.800 0.041 0.000 2.607 254 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G C 1.793 176.709 174.900 0.027 0.000 1.275 254 G CA 1.142 46.261 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.149 116.865 115.700 0.027 0.000 2.428 255 S HA -0.275 4.195 4.470 -0.000 0.000 0.240 255 S C 2.431 177.043 174.600 0.020 0.000 1.036 255 S CA 2.455 60.668 58.200 0.023 0.000 1.009 255 S CB -0.819 62.395 63.200 0.024 0.000 0.803 255 S HN 0.750 nan 8.310 nan 0.000 0.486 256 S N 2.642 118.355 115.700 0.022 0.000 2.345 256 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 256 S C 2.169 176.775 174.600 0.011 0.000 1.031 256 S CA 1.486 59.695 58.200 0.015 0.000 0.996 256 S CB -1.205 62.003 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.076 116.784 115.700 0.013 0.000 2.345 257 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 257 S C 2.122 176.729 174.600 0.012 0.000 1.031 257 S CA 1.786 59.993 58.200 0.011 0.000 0.996 257 S CB -1.966 61.242 63.200 0.014 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.908 115.471 114.554 0.015 0.000 2.896 258 T HA -0.048 4.302 4.350 -0.000 0.000 0.270 258 T C 1.471 176.178 174.700 0.012 0.000 1.104 258 T CA 1.491 63.600 62.100 0.014 0.000 1.115 258 T CB -0.606 68.272 68.868 0.016 0.000 0.843 258 T HN 0.443 nan 8.240 nan 0.000 0.523 259 L N 0.441 121.671 121.223 0.011 0.000 2.185 259 L HA 0.068 4.408 4.340 -0.000 0.000 0.198 259 L C 3.027 179.900 176.870 0.005 0.000 1.079 259 L CA 1.157 56.002 54.840 0.008 0.000 0.780 259 L CB -0.430 41.634 42.059 0.007 0.000 0.955 259 L HN 0.365 nan 8.230 nan 0.000 0.462 260 S N -0.667 115.035 115.700 0.004 0.000 2.400 260 S HA -0.294 4.176 4.470 -0.000 0.000 0.232 260 S C 1.819 176.421 174.600 0.003 0.000 1.025 260 S CA 1.441 59.642 58.200 0.001 0.000 0.993 260 S CB -0.418 62.782 63.200 -0.001 0.000 0.808 260 S HN 0.366 nan 8.310 nan 0.000 0.478 261 Q N 2.793 122.597 119.800 0.006 0.000 1.993 261 Q HA 0.072 4.412 4.340 -0.000 0.000 0.202 261 Q C 2.265 178.269 176.000 0.007 0.000 0.984 261 Q CA 2.390 58.197 55.803 0.008 0.000 0.837 261 Q CB -1.356 27.389 28.738 0.010 0.000 0.902 261 Q HN 0.571 nan 8.270 nan 0.000 0.423 262 A N 0.583 123.408 122.820 0.008 0.000 1.908 262 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 262 A C 2.280 179.866 177.584 0.003 0.000 1.181 262 A CA 1.695 53.737 52.037 0.008 0.000 0.627 262 A CB -0.910 18.096 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.093 120.478 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 263 I C 2.665 178.781 176.117 -0.002 0.000 1.111 263 I CA 1.372 62.671 61.300 -0.001 0.000 1.382 263 I CB -0.455 37.544 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.359 115.700 0.001 0.000 2.354 264 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 264 S C 2.065 176.666 174.600 0.002 0.000 1.035 264 S CA 2.222 60.423 58.200 0.001 0.000 1.037 264 S CB -0.695 62.507 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.139 117.695 114.554 0.003 0.000 2.597 265 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 265 T C 1.861 176.557 174.700 -0.007 0.000 1.053 265 T CA 1.545 63.647 62.100 0.002 0.000 1.165 265 T CB -0.480 68.389 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.100 120.694 119.600 -0.010 0.000 2.116 266 M HA -0.143 4.337 4.480 -0.000 0.000 0.255 266 M C 2.596 178.887 176.300 -0.016 0.000 1.075 266 M CA 1.899 57.188 55.300 -0.018 0.000 1.087 266 M CB -1.435 31.157 32.600 -0.014 0.000 1.340 266 M HN 0.422 nan 8.290 nan 0.000 0.402 267 A N -1.037 121.777 122.820 -0.009 0.000 1.943 267 A HA 0.274 4.594 4.320 -0.000 0.000 0.213 267 A C 2.179 179.762 177.584 -0.002 0.000 1.181 267 A CA 1.169 53.202 52.037 -0.007 0.000 0.653 267 A CB -1.076 17.921 19.000 -0.006 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.373 109.174 108.800 0.002 0.000 2.798 268 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G C 1.328 176.240 174.900 0.019 0.000 1.432 268 G CA 1.125 46.230 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.383 120.037 120.400 0.033 0.000 2.148 269 K HA -0.129 4.191 4.320 -0.000 0.000 0.213 269 K C 0.717 177.384 176.600 0.111 0.000 1.050 269 K CA 1.563 57.896 56.287 0.077 0.000 0.932 269 K CB -0.143 32.409 32.500 0.088 0.000 0.717 269 K HN 0.450 nan 8.250 nan 0.000 0.462 270 D N -2.904 117.537 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.075 176.415 176.300 0.065 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.237 39.580 40.800 0.027 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.594 121.771 121.223 -0.077 0.000 2.083 271 L HA 0.038 4.378 4.340 -0.000 0.000 0.209 271 L C 1.300 178.123 176.870 -0.077 0.000 1.083 271 L CA 1.534 56.253 54.840 -0.202 0.000 0.752 271 L CB -0.916 41.050 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.020 120.359 120.400 -0.034 0.000 2.449 272 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.149 272 D CA 0.525 54.514 54.000 -0.019 0.000 0.878 272 D CB 0.401 41.190 40.800 -0.017 0.000 1.198 272 D HN 0.240 nan 8.370 nan 0.000 0.446 273 L N 1.989 123.214 121.223 0.002 0.000 4.351 273 L HA -0.237 4.103 4.340 -0.000 0.000 0.410 273 L C 0.487 177.389 176.870 0.053 0.000 1.150 273 L CA 0.910 55.757 54.840 0.011 0.000 0.961 273 L CB -2.142 39.910 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.288 120.901 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.509 177.717 176.117 0.151 0.000 1.160 274 I CA 2.155 63.549 61.300 0.157 0.000 1.445 274 I CB 0.114 38.153 38.000 0.066 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.072 121.317 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.094 176.721 176.600 0.044 0.000 0.980 275 E CA -0.355 56.084 56.400 0.066 0.000 1.172 275 E CB 0.461 30.185 29.700 0.039 0.000 1.088 275 E HN 0.484 nan 8.360 nan 0.000 0.463 276 A N 1.003 123.848 122.820 0.041 0.000 2.540 276 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 276 A C 0.246 177.846 177.584 0.026 0.000 1.061 276 A CA 0.260 52.310 52.037 0.021 0.000 0.758 276 A CB 0.272 19.275 19.000 0.006 0.000 0.991 276 A HN 0.315 nan 8.150 nan 0.000 0.502 277 D N 1.736 122.147 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.178 176.133 176.300 0.018 0.000 1.149 277 D CA 0.798 54.811 54.000 0.021 0.000 0.994 277 D CB 0.103 40.915 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.282 114.284 114.554 0.020 0.000 3.230 278 T HA 0.204 4.554 4.350 -0.000 0.000 0.390 278 T C -3.141 171.571 174.700 0.020 0.000 1.761 278 T CA -1.202 60.908 62.100 0.017 0.000 1.129 278 T CB 1.162 70.036 68.868 0.010 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.258 nan 4.420 nan 0.000 0.259 279 P C -0.950 176.366 177.300 0.027 0.000 1.155 279 P CA 0.324 63.442 63.100 0.029 0.000 0.759 279 P CB 0.075 31.790 31.700 0.025 0.000 0.753 280 L N 6.726 127.981 121.223 0.053 0.000 2.439 280 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 280 L C -2.339 174.588 176.870 0.094 0.000 0.972 280 L CA -2.516 52.347 54.840 0.039 0.000 0.836 280 L CB 2.363 44.419 42.059 -0.005 0.000 1.255 280 L HN 0.142 nan 8.230 nan 0.000 0.404 281 P HA -0.036 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.421 177.300 0.146 0.000 1.183 281 P CA -0.066 63.073 63.100 0.065 0.000 0.763 281 P CB 0.787 32.501 31.700 0.024 0.000 0.807 282 V N 2.764 122.772 119.914 0.156 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.328 178.559 176.094 0.229 0.000 1.068 282 V CA 2.593 65.028 62.300 0.226 0.000 1.070 282 V CB -1.471 30.395 31.823 0.072 0.000 0.664 282 V HN 0.734 nan 8.190 nan 0.000 0.461 283 S N 0.353 116.117 115.700 0.107 0.000 2.387 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 283 S C 1.839 176.456 174.600 0.028 0.000 1.035 283 S CA 1.790 60.025 58.200 0.059 0.000 1.014 283 S CB -0.940 62.275 63.200 0.025 0.000 0.836 283 S HN 0.384 nan 8.310 nan 0.000 0.466 284 V N 0.326 120.217 119.914 -0.037 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.381 177.242 176.094 -0.387 0.000 1.149 284 V CA 1.385 63.551 62.300 -0.225 0.000 1.162 284 V CB -1.298 30.306 31.823 -0.365 0.000 0.756 284 V HN 0.556 nan 8.190 nan 0.000 0.523 285 F N -0.371 119.508 119.950 -0.117 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.565 177.336 175.800 -0.047 0.000 1.092 285 F CA 0.335 58.245 58.000 -0.150 0.000 1.279 285 F CB -0.507 38.391 39.000 -0.171 0.000 1.044 285 F HN 0.219 nan 8.300 nan 0.000 0.564 286 T N 0.516 115.140 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.322 172.431 174.700 0.088 0.000 0.769 286 T CA -0.421 61.730 62.100 0.084 0.000 1.981 286 T CB -2.019 66.888 68.868 0.064 0.000 1.714 286 T HN 0.132 nan 8.240 nan 0.000 0.632 287 P HA 0.408 nan 4.420 nan 0.000 0.270 287 P C -0.138 177.179 177.300 0.029 0.000 1.242 287 P CA -0.047 63.083 63.100 0.050 0.000 0.768 287 P CB 0.974 32.688 31.700 0.023 0.000 0.820 288 S N 2.950 118.665 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.006 174.609 174.600 0.005 0.000 1.138 288 S CA -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.326 64.537 63.200 0.018 0.000 1.127 288 S HN 0.378 nan 8.310 nan 0.000 0.474 289 L N -0.299 120.922 121.223 -0.003 0.000 3.833 289 L HA -0.129 4.211 4.340 -0.000 0.000 0.447 289 L C 0.149 177.010 176.870 -0.016 0.000 1.213 289 L CA 1.377 56.212 54.840 -0.009 0.000 0.801 289 L CB -1.668 40.389 42.059 -0.004 0.000 1.676 289 L HN 1.281 nan 8.230 nan 0.000 0.883 290 A N 2.444 125.250 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.386 175.164 177.584 -0.056 0.000 1.143 290 A CA -0.437 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.254 19.238 19.000 -0.027 0.000 1.088 290 A HN 0.405 nan 8.150 nan 0.000 0.488 291 P HA 0.422 nan 4.420 nan 0.000 0.228 291 P C -0.633 176.578 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.253 291 P CB 0.705 32.351 31.700 -0.090 0.000 1.486 292 R N 1.196 121.583 120.500 -0.188 0.000 2.539 292 R HA 0.535 4.875 4.340 -0.000 0.000 0.275 292 R C 0.801 176.784 176.300 -0.529 0.000 1.077 292 R CA -0.058 55.881 56.100 -0.268 0.000 1.097 292 R CB 0.653 30.840 30.300 -0.188 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.452 116.850 115.700 -0.504 0.000 2.578 293 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 293 S C -0.860 173.378 174.600 -0.603 0.000 1.091 293 S CA -0.763 57.085 58.200 -0.587 0.000 1.032 293 S CB 0.990 64.025 63.200 -0.276 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.463 120.783 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.820 176.768 175.900 0.081 0.000 1.587 294 Y CA -1.347 56.808 58.100 0.092 0.000 0.925 294 Y CB 0.767 39.343 38.460 0.192 0.000 1.323 294 Y HN 0.544 nan 8.280 nan 0.000 0.719 295 R N 0.741 121.462 120.500 0.369 0.000 2.714 295 R HA 0.211 4.551 4.340 -0.000 0.000 0.214 295 R C -3.146 173.246 176.300 0.152 0.000 1.474 295 R CA -1.172 55.060 56.100 0.220 0.000 1.435 295 R CB 0.769 31.232 30.300 0.271 0.000 1.517 295 R HN 0.380 nan 8.270 nan 0.000 0.748 296 P HA -0.045 nan 4.420 nan 0.000 0.281 296 P C 0.463 177.649 177.300 -0.189 0.000 1.274 296 P CA 0.591 63.679 63.100 -0.019 0.000 0.794 296 P CB 0.603 32.320 31.700 0.028 0.000 1.201 297 A N -3.205 119.504 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.676 178.068 177.584 -0.319 0.000 1.293 297 A CA 1.688 53.560 52.037 -0.274 0.000 0.944 297 A CB -2.655 16.112 19.000 -0.388 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.135 117.790 119.950 -0.043 0.000 2.533 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 298 F C 0.890 176.645 175.800 -0.075 0.000 0.834 298 F CA -0.365 57.610 58.000 -0.041 0.000 1.061 298 F CB -0.099 38.892 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.821 123.436 120.570 0.075 0.000 2.752 299 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 299 I C 0.638 176.676 176.117 -0.131 0.000 1.180 299 I CA 0.364 61.621 61.300 -0.073 0.000 1.404 299 I CB -0.039 37.816 38.000 -0.241 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.016 129.356 120.400 -0.101 0.000 2.436 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 300 K C -1.142 175.348 176.600 -0.185 0.000 0.999 300 K CA -1.011 55.208 56.287 -0.113 0.000 0.980 300 K CB 0.602 33.054 32.500 -0.081 0.000 0.919 300 K HN 0.378 nan 8.250 nan 0.000 0.484 301 P HA -0.246 nan 4.420 nan 0.000 0.216 301 P C 0.843 178.026 177.300 -0.195 0.000 1.150 301 P CA 1.555 64.522 63.100 -0.222 0.000 0.837 301 P CB 0.157 31.747 31.700 -0.183 0.000 0.786 302 E N 0.113 120.228 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.830 177.362 176.600 -0.113 0.000 1.010 302 E CA 0.842 57.173 56.400 -0.115 0.000 0.856 302 E CB -0.828 28.822 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.138 121.461 120.400 -0.127 0.000 2.349 303 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 303 D C -0.052 176.172 176.300 -0.127 0.000 1.029 303 D CA 0.816 54.754 54.000 -0.105 0.000 0.879 303 D CB 0.688 41.433 40.800 -0.091 0.000 0.906 303 D HN 0.276 nan 8.370 nan 0.000 0.528 304 A N 0.647 123.340 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.993 178.348 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.669 19.429 19.000 -0.401 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.595 121.895 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.401 177.944 176.600 -0.095 0.000 1.048 305 K CA 2.250 58.470 56.287 -0.112 0.000 0.931 305 K CB -0.209 32.270 32.500 -0.035 0.000 0.718 305 K HN 1.012 nan 8.250 nan 0.000 0.465 306 W N 0.853 122.111 121.300 -0.071 0.000 3.435 306 W HA 0.269 4.929 4.660 -0.000 0.000 0.303 306 W C 0.019 176.500 176.519 -0.063 0.000 1.297 306 W CA -0.363 56.945 57.345 -0.062 0.000 1.638 306 W CB -0.972 28.451 29.460 -0.062 0.000 1.015 306 W HN -0.071 nan 8.180 nan 0.000 0.760 307 I N 1.424 121.741 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.752 175.173 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.639 38.083 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.589 128.281 122.820 -0.213 0.000 2.264 308 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 308 A C -0.543 176.800 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.953 19.801 19.000 -0.253 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.420 119.542 120.200 -0.396 0.000 2.288 309 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 309 E C -1.613 174.747 176.600 -0.399 0.000 0.885 309 E CA -0.622 55.558 56.400 -0.367 0.000 0.767 309 E CB 1.057 30.644 29.700 -0.189 0.000 1.220 309 E HN 0.305 nan 8.360 nan 0.000 0.427 310 F N 2.098 121.924 119.950 -0.207 0.000 2.666 310 F HA 0.140 4.667 4.527 -0.000 0.000 0.362 310 F C 0.090 175.814 175.800 -0.127 0.000 1.190 310 F CA -0.714 57.177 58.000 -0.183 0.000 1.328 310 F CB -0.853 38.048 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.620 120.320 118.700 0.001 0.000 2.498 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 311 N C -0.574 174.937 175.510 0.003 0.000 1.208 311 N CA -0.430 52.617 53.050 -0.005 0.000 1.029 311 N CB -0.125 38.339 38.487 -0.038 0.000 1.403 311 N HN 0.342 nan 8.380 nan 0.000 0.500 312 N N 0.675 119.385 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.206 175.298 175.510 -0.011 0.000 1.140 312 N CA -0.759 52.291 53.050 0.001 0.000 0.788 312 N CB 1.783 40.273 38.487 0.004 0.000 1.361 312 N HN 0.157 nan 8.380 nan 0.000 0.489 313 S N 1.044 116.734 115.700 -0.016 0.000 2.482 313 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 313 S C 1.240 175.825 174.600 -0.025 0.000 1.048 313 S CA 1.821 60.010 58.200 -0.017 0.000 1.158 313 S CB -0.555 62.635 63.200 -0.017 0.000 1.130 313 S HN 0.904 nan 8.310 nan 0.000 0.413 314 S N 1.918 117.597 115.700 -0.036 0.000 2.546 314 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 314 S C 0.287 174.845 174.600 -0.069 0.000 1.190 314 S CA -0.861 57.307 58.200 -0.053 0.000 1.014 314 S CB -0.410 62.758 63.200 -0.054 0.000 1.087 314 S HN 0.364 nan 8.310 nan 0.000 0.525 315 L N -0.264 120.905 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.207 176.600 176.870 -0.106 0.000 1.129 315 L CA -0.714 54.063 54.840 -0.105 0.000 0.803 315 L CB 0.081 42.067 42.059 -0.123 0.000 1.161 315 L HN 0.585 nan 8.230 nan 0.000 0.462 316 I N 0.911 121.402 120.570 -0.131 0.000 2.976 316 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 316 I C -0.155 175.882 176.117 -0.132 0.000 1.396 316 I CA -0.379 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.155 38.029 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.447 122.888 120.500 -0.098 0.000 2.446 317 R HA 0.160 4.500 4.340 -0.000 0.000 0.314 317 R C 0.007 176.271 176.300 -0.060 0.000 1.003 317 R CA 0.163 56.218 56.100 -0.074 0.000 1.018 317 R CB 0.451 30.717 30.300 -0.057 0.000 0.945 317 R HN 0.192 nan 8.270 nan 0.000 0.419 318 K N 1.300 121.668 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.653 175.944 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.577 34.048 32.500 -0.047 0.000 1.252 318 K HN 0.561 nan 8.250 nan 0.000 0.471 319 T N -0.442 114.118 114.554 0.010 0.000 2.887 319 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 319 T C -0.902 173.827 174.700 0.048 0.000 1.087 319 T CA -1.069 61.050 62.100 0.032 0.000 1.009 319 T CB 0.870 69.748 68.868 0.018 0.000 1.203 319 T HN 0.658 nan 8.240 nan 0.000 0.518 320 L N -2.115 119.152 121.223 0.073 0.000 2.787 320 L HA 0.544 4.884 4.340 -0.000 0.000 0.260 320 L C -1.348 175.594 176.870 0.120 0.000 0.921 320 L CA -0.942 53.955 54.840 0.094 0.000 0.984 320 L CB 1.471 43.597 42.059 0.113 0.000 1.519 320 L HN 0.628 nan 8.230 nan 0.000 0.452 321 T N 3.422 118.027 114.554 0.085 0.000 2.775 321 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 321 T C -0.878 173.910 174.700 0.148 0.000 0.909 321 T CA 0.424 62.561 62.100 0.061 0.000 1.081 321 T CB -0.450 68.427 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.775 124.132 120.300 0.095 0.000 2.402 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.332 322 Y C 0.592 176.591 175.900 0.164 0.000 0.960 322 Y CA -1.041 57.159 58.100 0.167 0.000 1.228 322 Y CB 0.626 39.258 38.460 0.286 0.000 1.120 322 Y HN 0.667 nan 8.280 nan 0.000 0.491 323 S N 4.204 119.620 115.700 -0.473 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.053 175.522 174.600 -0.219 0.000 1.013 323 S CA 1.469 59.401 58.200 -0.447 0.000 1.083 323 S CB -1.617 61.123 63.200 -0.766 0.000 0.883 323 S HN 2.441 nan 8.310 nan 0.000 0.475 324 G N 0.858 109.575 108.800 -0.137 0.000 5.426 324 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.297 324 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.297 324 G C 0.799 175.620 174.900 -0.132 0.000 1.422 324 G CA 0.932 45.970 45.100 -0.103 0.000 0.938 324 G HN 2.247 nan 8.290 nan 0.000 0.754 325 A N 0.871 123.583 122.820 -0.181 0.000 2.603 325 A HA 0.453 4.773 4.320 -0.000 0.000 0.235 325 A C 0.710 177.994 177.584 -0.500 0.000 1.035 325 A CA 1.880 53.710 52.037 -0.344 0.000 0.755 325 A CB -0.069 18.680 19.000 -0.419 0.000 0.954 325 A HN 1.278 nan 8.150 nan 0.000 0.511 326 T N 3.326 117.607 114.554 -0.455 0.000 2.733 326 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 326 T C -0.783 173.679 174.700 -0.397 0.000 0.956 326 T CA 0.358 62.270 62.100 -0.314 0.000 0.987 326 T CB -0.047 68.737 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.978 121.329 120.300 0.086 0.000 2.567 327 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 327 Y C 1.001 176.929 175.900 0.047 0.000 1.106 327 Y CA -1.285 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.122 39.646 38.460 0.106 0.000 1.277 327 Y HN 0.667 nan 8.280 nan 0.000 0.490 328 T N 0.904 115.590 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.649 174.097 174.700 0.076 0.000 1.015 328 T CA -0.690 61.472 62.100 0.104 0.000 0.963 328 T CB -0.085 68.819 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.805 123.742 119.914 0.039 0.000 2.715 329 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 329 V C 1.209 177.280 176.094 -0.039 0.000 1.054 329 V CA -0.256 62.042 62.300 -0.003 0.000 1.077 329 V CB 1.519 33.321 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.900 121.673 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.523 176.446 176.000 -0.128 0.000 0.974 330 Q CA 0.375 56.134 55.803 -0.074 0.000 0.846 330 Q CB 0.124 28.830 28.738 -0.053 0.000 0.943 330 Q HN 0.627 nan 8.270 nan 0.000 0.516 331 L N 0.031 121.172 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.739 177.535 176.870 -0.124 0.000 1.234 331 L CA 0.565 55.292 54.840 -0.188 0.000 0.911 331 L CB -2.320 39.509 42.059 -0.384 0.000 1.942 331 L HN 0.315 nan 8.230 nan 0.000 0.860 332 G N 0.355 109.103 108.800 -0.087 0.000 3.047 332 G HA2 0.056 4.016 3.960 -0.000 0.000 0.374 332 G HA3 0.056 4.016 3.960 -0.000 0.000 0.374 332 G C -0.505 174.359 174.900 -0.059 0.000 1.277 332 G CA 0.121 45.175 45.100 -0.078 0.000 1.153 332 G HN 0.317 nan 8.290 nan 0.000 0.711 333 P HA -0.169 nan 4.420 nan 0.000 0.219 333 P C 1.406 178.707 177.300 0.001 0.000 1.161 333 P CA 1.962 65.047 63.100 -0.024 0.000 0.909 333 P CB -0.414 31.297 31.700 0.018 0.000 0.793 334 G N -0.277 108.529 108.800 0.011 0.000 2.553 334 G HA2 0.200 4.160 3.960 -0.000 0.000 0.278 334 G HA3 0.200 4.160 3.960 -0.000 0.000 0.278 334 G C -1.721 173.187 174.900 0.013 0.000 1.349 334 G CA -0.709 44.402 45.100 0.018 0.000 1.037 334 G HN 0.062 nan 8.290 nan 0.000 0.508 335 P HA 0.073 nan 4.420 nan 0.000 0.229 335 P C 0.272 177.596 177.300 0.040 0.000 1.160 335 P CA 1.342 64.453 63.100 0.017 0.000 0.777 335 P CB -0.006 31.691 31.700 -0.006 0.000 0.814 336 T N -1.249 113.322 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.117 174.606 174.700 0.037 0.000 0.789 336 T CA 0.005 62.132 62.100 0.044 0.000 2.526 336 T CB -2.074 66.845 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.111 121.587 120.500 -0.040 0.000 2.449 337 R HA 0.461 4.801 4.340 -0.000 0.000 0.296 337 R C 0.891 177.144 176.300 -0.078 0.000 1.047 337 R CA -0.409 55.629 56.100 -0.103 0.000 1.018 337 R CB 0.704 30.927 30.300 -0.128 0.000 0.962 337 R HN 0.686 nan 8.270 nan 0.000 0.428 338 V N 0.729 120.573 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.413 176.509 176.094 0.003 0.000 1.054 338 V CA -1.247 61.040 62.300 -0.022 0.000 0.928 338 V CB 1.719 33.553 31.823 0.018 0.000 1.007 338 V HN 0.581 nan 8.190 nan 0.000 0.437 339 I N 3.344 123.990 120.570 0.126 0.000 2.662 339 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 339 I C 0.656 176.887 176.117 0.191 0.000 1.161 339 I CA 0.547 61.972 61.300 0.207 0.000 1.415 339 I CB 0.020 38.222 38.000 0.337 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.004 126.509 120.400 0.174 0.000 2.362 340 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 340 D C 0.740 177.001 176.300 -0.066 0.000 1.132 340 D CA -0.131 53.957 54.000 0.147 0.000 0.907 340 D CB 1.158 42.040 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.134 120.577 119.600 -0.261 0.000 2.447 341 M HA 0.029 4.509 4.480 -0.000 0.000 0.266 341 M C 0.427 176.520 176.300 -0.346 0.000 1.120 341 M CA 0.395 55.405 55.300 -0.483 0.000 1.166 341 M CB -0.748 31.606 32.600 -0.410 0.000 1.349 341 M HN 0.230 nan 8.290 nan 0.000 0.463 342 N N 1.382 119.985 118.700 -0.161 0.000 2.444 342 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 342 N C 0.344 175.855 175.510 0.002 0.000 1.255 342 N CA 0.592 53.625 53.050 -0.029 0.000 0.933 342 N CB 0.466 38.934 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.070 123.925 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.178 177.810 177.584 0.081 0.000 1.455 343 A CA 0.467 52.555 52.037 0.084 0.000 0.730 343 A CB -1.416 17.642 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.881 120.527 119.600 0.077 0.000 5.138 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.619 344 M C 0.316 176.749 176.300 0.221 0.000 2.259 344 M CA 0.110 55.429 55.300 0.032 0.000 0.432 344 M CB -0.145 32.282 32.600 -0.288 0.000 1.469 344 M HN 1.184 nan 8.290 nan 0.000 0.661 345 I N 2.077 122.750 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.022 176.204 176.117 0.182 0.000 0.888 345 I CA 0.354 61.739 61.300 0.141 0.000 2.763 345 I CB -0.793 37.236 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.623 125.101 120.400 0.130 0.000 4.599 346 D HA -0.029 4.611 4.640 -0.000 0.000 0.245 346 D C 0.504 176.831 176.300 0.045 0.000 1.474 346 D CA 0.906 54.897 54.000 -0.015 0.000 0.960 346 D CB -0.103 40.584 40.800 -0.189 0.000 1.280 346 D HN 0.775 nan 8.370 nan 0.000 0.716 347 S N 0.771 116.554 115.700 0.138 0.000 2.694 347 S HA 0.694 5.164 4.470 -0.000 0.000 0.286 347 S C -0.061 174.563 174.600 0.040 0.000 1.080 347 S CA -0.995 57.240 58.200 0.059 0.000 0.953 347 S CB 1.292 64.513 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.576 121.488 119.914 -0.002 0.000 2.320 348 V HA 0.383 4.503 4.120 -0.000 0.000 0.268 348 V C -0.972 175.081 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.889 62.300 -0.025 0.000 0.813 348 V CB 0.195 31.998 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.236 124.410 121.223 -0.082 0.000 2.418 349 L HA 0.390 4.730 4.340 -0.000 0.000 0.274 349 L C 0.778 177.498 176.870 -0.250 0.000 1.135 349 L CA 0.995 55.726 54.840 -0.182 0.000 0.870 349 L CB 1.174 43.078 42.059 -0.259 0.000 1.154 349 L HN 0.606 nan 8.230 nan 0.000 0.462 350 T N 5.145 119.558 114.554 -0.235 0.000 3.068 350 T HA 0.318 4.668 4.350 -0.000 0.000 0.364 350 T C -0.815 173.724 174.700 -0.268 0.000 1.161 350 T CA -0.651 61.311 62.100 -0.230 0.000 1.155 350 T CB 0.043 68.814 68.868 -0.161 0.000 1.060 350 T HN 0.304 nan 8.240 nan 0.000 0.513 351 L N 5.803 126.859 121.223 -0.278 0.000 2.407 351 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 351 L C 0.184 176.956 176.870 -0.164 0.000 1.110 351 L CA -0.038 54.685 54.840 -0.195 0.000 0.863 351 L CB 0.330 42.308 42.059 -0.135 0.000 1.207 351 L HN 0.580 nan 8.230 nan 0.000 0.454 352 D N 4.556 124.817 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 352 D C -1.092 175.194 176.300 -0.024 0.000 1.093 352 D CA -0.307 53.584 54.000 -0.182 0.000 0.882 352 D CB 1.638 42.209 40.800 -0.381 0.000 1.185 352 D HN 0.358 nan 8.370 nan 0.000 0.437 353 V N 3.766 123.729 119.914 0.081 0.000 2.276 353 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 353 V C -0.128 176.072 176.094 0.176 0.000 1.032 353 V CA -0.575 61.761 62.300 0.060 0.000 0.810 353 V CB 0.383 32.243 31.823 0.062 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.835 117.606 115.700 0.118 0.000 2.540 354 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 354 S C 0.691 175.355 174.600 0.107 0.000 1.123 354 S CA 0.317 58.614 58.200 0.162 0.000 0.907 354 S CB 2.056 65.346 63.200 0.149 0.000 1.081 354 S HN 1.874 nan 8.310 nan 0.000 0.476 355 G N 1.352 110.228 108.800 0.126 0.000 2.257 355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G C 0.387 175.324 174.900 0.062 0.000 0.984 355 G CA 0.560 45.711 45.100 0.085 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.144 116.715 114.554 0.029 0.000 2.913 356 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 356 T C 1.145 175.818 174.700 -0.046 0.000 1.029 356 T CA -0.547 61.528 62.100 -0.041 0.000 1.104 356 T CB 0.371 69.156 68.868 -0.138 0.000 0.964 356 T HN 0.209 nan 8.240 nan 0.000 0.532 357 I N 3.120 123.674 120.570 -0.027 0.000 2.948 357 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 357 I C 0.266 176.374 176.117 -0.014 0.000 1.226 357 I CA 0.179 61.482 61.300 0.004 0.000 1.413 357 I CB 0.565 38.574 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.500 129.765 121.223 0.070 0.000 2.490 358 L HA 0.410 4.750 4.340 -0.000 0.000 0.261 358 L C -2.301 174.585 176.870 0.026 0.000 1.232 358 L CA -1.047 53.893 54.840 0.167 0.000 0.892 358 L CB 1.340 43.705 42.059 0.510 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.031 nan 4.420 nan 0.000 0.249 359 P C 0.619 178.045 177.300 0.211 0.000 1.686 359 P CA 0.190 63.353 63.100 0.105 0.000 0.873 359 P CB -0.882 30.857 31.700 0.065 0.000 1.828 360 Y N -0.170 120.175 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.671 177.595 175.900 0.039 0.000 1.151 360 Y CA -0.218 57.913 58.100 0.052 0.000 1.335 360 Y CB -0.787 37.723 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.857 122.583 120.400 0.543 0.000 2.097 361 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 361 D C 1.585 177.941 176.300 0.094 0.000 0.984 361 D CA 1.992 56.116 54.000 0.207 0.000 0.826 361 D CB -0.634 40.309 40.800 0.239 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.060 115.678 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.157 175.888 174.700 0.053 0.000 1.071 362 T CA 0.329 62.468 62.100 0.063 0.000 1.559 362 T CB -1.211 67.691 68.868 0.058 0.000 1.141 362 T HN 0.246 nan 8.240 nan 0.000 0.417 363 N N 3.897 122.630 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.863 173.670 175.510 0.039 0.000 1.287 363 N CA -1.277 51.798 53.050 0.042 0.000 0.948 363 N CB 0.859 39.365 38.487 0.031 0.000 1.255 363 N HN 0.356 nan 8.380 nan 0.000 0.485 364 P HA -0.141 nan 4.420 nan 0.000 0.225 364 P C 0.776 178.092 177.300 0.027 0.000 1.148 364 P CA 0.718 63.827 63.100 0.015 0.000 0.779 364 P CB 0.399 32.098 31.700 -0.003 0.000 0.780 365 D N 0.045 120.456 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.869 178.171 176.300 0.002 0.000 0.990 365 D CA 0.753 54.759 54.000 0.010 0.000 0.839 365 D CB -0.705 40.090 40.800 -0.008 0.000 0.948 365 D HN -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.389 121.594 121.223 -0.030 0.000 2.017 366 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 366 L C 1.257 178.170 176.870 0.072 0.000 1.073 366 L CA 1.003 55.774 54.840 -0.114 0.000 0.745 366 L CB -0.914 41.036 42.059 -0.181 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.686 114.115 115.700 0.169 0.000 2.576 367 S HA 0.173 4.643 4.470 -0.000 0.000 0.272 367 S C 1.022 175.726 174.600 0.173 0.000 1.352 367 S CA 0.680 59.025 58.200 0.242 0.000 1.021 367 S CB 0.301 63.606 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.513 115.175 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.184 174.992 174.700 0.180 0.000 2.080 368 T CA 1.396 63.589 62.100 0.154 0.000 3.423 368 T CB -2.085 66.860 68.868 0.129 0.000 1.630 368 T HN 1.294 nan 8.240 nan 0.000 0.911 369 S N 2.670 118.502 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.415 175.109 174.600 0.157 0.000 1.170 369 S CA -0.285 58.044 58.200 0.214 0.000 1.054 369 S CB 1.104 64.498 63.200 0.323 0.000 0.956 369 S HN 1.118 nan 8.310 nan 0.000 0.490 370 V N 1.790 121.668 119.914 -0.058 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.118 173.860 176.094 -0.194 0.000 1.030 370 V CA -1.976 60.254 62.300 -0.117 0.000 1.033 370 V CB -0.335 31.400 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.453 nan 4.420 nan 0.000 0.268 371 P C -0.376 176.790 177.300 -0.223 0.000 1.205 371 P CA 0.247 63.103 63.100 -0.408 0.000 0.771 371 P CB 1.388 32.853 31.700 -0.392 0.000 0.858 372 A N 3.393 126.097 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.359 176.199 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.122 0.000 0.710 372 A CB 0.632 19.487 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.032 122.925 119.950 -0.094 0.000 2.506 373 F HA 0.480 5.007 4.527 -0.000 0.000 0.371 373 F C 0.331 176.105 175.800 -0.044 0.000 1.078 373 F CA 0.485 58.456 58.000 -0.048 0.000 1.195 373 F CB 1.087 40.075 39.000 -0.020 0.000 1.099 373 F HN 0.795 nan 8.300 nan 0.000 0.548 374 V N 7.327 126.876 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.246 174.588 176.094 -0.434 0.000 1.052 374 V CA -0.950 61.117 62.300 -0.390 0.000 0.885 374 V CB 1.569 33.264 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.794 126.880 121.223 -0.229 0.000 2.453 375 L HA 0.587 4.927 4.340 -0.000 0.000 0.261 375 L C -0.011 176.847 176.870 -0.020 0.000 1.179 375 L CA 0.291 55.065 54.840 -0.110 0.000 0.813 375 L CB 1.137 43.197 42.059 0.001 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.243 122.855 120.570 0.070 0.000 2.540 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.280 376 I C -0.668 175.575 176.117 0.211 0.000 1.083 376 I CA -0.456 60.933 61.300 0.148 0.000 1.080 376 I CB 1.540 39.679 38.000 0.231 0.000 1.205 376 I HN 0.557 nan 8.210 nan 0.000 0.459 377 Q N 5.780 125.664 119.800 0.141 0.000 2.294 377 Q HA 0.389 4.729 4.340 -0.000 0.000 0.257 377 Q C -0.536 175.581 176.000 0.195 0.000 0.955 377 Q CA -0.337 55.549 55.803 0.139 0.000 0.936 377 Q CB 1.129 29.917 28.738 0.084 0.000 1.188 377 Q HN 0.692 nan 8.270 nan 0.000 0.420 378 T N 0.736 115.462 114.554 0.286 0.000 2.895 378 T HA 0.381 4.731 4.350 -0.000 0.000 0.283 378 T C 0.662 175.521 174.700 0.265 0.000 1.014 378 T CA -0.744 61.522 62.100 0.276 0.000 1.037 378 T CB 1.831 70.913 68.868 0.356 0.000 1.006 378 T HN 0.510 nan 8.240 nan 0.000 0.468 379 S N 0.899 116.710 115.700 0.184 0.000 2.331 379 S HA 0.054 4.524 4.470 -0.000 0.000 0.208 379 S C 1.102 175.818 174.600 0.194 0.000 1.032 379 S CA 0.173 58.483 58.200 0.182 0.000 0.991 379 S CB -0.258 63.007 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.565 124.516 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.260 173.646 176.094 -0.314 0.000 1.065 380 V CA -1.547 60.710 62.300 -0.071 0.000 1.116 380 V CB 0.351 32.145 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.074 nan 4.420 nan 0.000 0.265 381 P C 0.212 177.268 177.300 -0.406 0.000 1.187 381 P CA 0.143 62.565 63.100 -1.130 0.000 0.766 381 P CB 0.410 31.575 31.700 -0.892 0.000 0.820 382 I N 2.117 122.533 120.570 -0.258 0.000 3.427 382 I HA -0.185 3.985 4.170 -0.000 0.000 0.272 382 I C 0.687 176.631 176.117 -0.288 0.000 1.285 382 I CA 0.390 61.471 61.300 -0.365 0.000 1.300 382 I CB 0.028 37.431 38.000 -0.994 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.182 121.825 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.182 176.109 176.000 -0.121 0.000 1.145 383 Q CA 1.115 56.814 55.803 -0.173 0.000 0.943 383 Q CB -1.169 27.462 28.738 -0.178 0.000 1.338 383 Q HN 0.708 nan 8.270 nan 0.000 0.492 384 Q N -1.276 118.464 119.800 -0.100 0.000 0.000 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.000 384 Q C -1.068 174.903 176.000 -0.049 0.000 0.000 384 Q CA 0.458 56.215 55.803 -0.078 0.000 0.000 384 Q CB 0.781 29.454 28.738 -0.109 0.000 0.000 384 Q HN 0.284 nan 8.270 nan 0.000 0.000 385 V N 1.838 121.740 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.535 176.650 176.094 0.036 0.000 1.058 385 V CA 0.779 63.100 62.300 0.035 0.000 0.897 385 V CB 1.018 32.923 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.515 119.072 114.554 0.005 0.000 2.755 386 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 386 T C 0.779 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.469 63.563 62.100 -0.009 0.000 1.154 386 T CB -0.034 68.826 68.868 -0.013 0.000 0.866 386 T HN 0.881 nan 8.240 nan 0.000 0.416 387 T N -1.532 113.007 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.366 176.044 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.830 62.100 -0.037 0.000 1.009 387 T CB 1.741 70.590 68.868 -0.031 0.000 1.118 387 T HN 0.109 nan 8.240 nan 0.000 0.497 388 A N 1.615 124.405 122.820 -0.050 0.000 1.968 388 A HA -0.230 4.090 4.320 -0.000 0.000 0.227 388 A C 2.505 180.078 177.584 -0.020 0.000 1.381 388 A CA 3.142 55.153 52.037 -0.044 0.000 0.697 388 A CB -1.714 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.721 nan 8.150 nan 0.000 0.497 389 A N -1.296 121.518 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.422 177.584 0.013 0.000 1.157 389 A CA 1.644 53.682 52.037 0.001 0.000 0.689 389 A CB -0.806 18.194 19.000 0.001 0.000 0.787 389 A HN 0.795 nan 8.150 nan 0.000 0.465 390 N N -0.700 118.007 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.002 175.545 175.510 0.055 0.000 1.016 390 N CA 0.033 53.101 53.050 0.031 0.000 0.871 390 N CB -0.030 38.472 38.487 0.025 0.000 0.987 390 N HN 0.419 nan 8.380 nan 0.000 0.431 391 I N 2.020 122.615 120.570 0.041 0.000 2.471 391 I HA -0.073 4.097 4.170 -0.000 0.000 0.294 391 I C 1.288 177.442 176.117 0.061 0.000 1.123 391 I CA -0.194 61.142 61.300 0.061 0.000 1.336 391 I CB 0.877 38.884 38.000 0.011 0.000 1.430 391 I HN 0.167 nan 8.210 nan 0.000 0.533 392 T N 5.083 119.688 114.554 0.086 0.000 2.505 392 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 392 T C 0.751 175.485 174.700 0.057 0.000 1.158 392 T CA 1.863 64.006 62.100 0.072 0.000 1.190 392 T CB 0.065 68.984 68.868 0.084 0.000 0.864 392 T HN 0.769 nan 8.240 nan 0.000 0.413 393 A N -0.647 122.211 122.820 0.063 0.000 2.583 393 A HA 0.766 5.086 4.320 -0.000 0.000 0.289 393 A C -1.697 175.920 177.584 0.054 0.000 1.151 393 A CA -0.758 51.311 52.037 0.053 0.000 0.695 393 A CB 1.361 20.391 19.000 0.050 0.000 1.290 393 A HN 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.018 121.615 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.759 175.380 176.117 0.036 0.000 1.088 394 I CA -0.172 61.148 61.300 0.034 0.000 1.062 394 I CB 2.363 40.373 38.000 0.017 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.331 119.901 114.554 0.027 0.000 2.767 395 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 395 T C 0.124 174.822 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.750 62.100 0.038 0.000 0.996 395 T CB 1.889 70.789 68.868 0.054 0.000 0.927 395 T HN 0.178 nan 8.240 nan 0.000 0.456 396 V N 5.088 125.000 119.914 -0.003 0.000 2.287 396 V HA 0.055 4.175 4.120 -0.000 0.000 0.246 396 V C 1.524 177.606 176.094 -0.019 0.000 1.165 396 V CA 0.114 62.348 62.300 -0.110 0.000 1.088 396 V CB 0.462 32.066 31.823 -0.364 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.755 123.686 119.914 0.030 0.000 3.078 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 397 V C 1.042 177.216 176.094 0.133 0.000 1.122 397 V CA 1.855 64.227 62.300 0.120 0.000 1.141 397 V CB 0.439 32.393 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.847 114.905 115.700 0.087 0.000 2.240 398 S HA 0.584 5.054 4.470 -0.000 0.000 0.234 398 S C -0.502 174.101 174.600 0.005 0.000 0.850 398 S CA -0.103 58.144 58.200 0.078 0.000 1.015 398 S CB 0.122 63.396 63.200 0.123 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.005 125.783 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.426 177.994 177.584 -0.027 0.000 1.097 399 A CA -0.138 51.810 52.037 -0.147 0.000 0.849 399 A CB 0.834 19.603 19.000 -0.385 0.000 1.142 399 A HN 1.580 nan 8.150 nan 0.000 0.499 400 A N 0.477 123.268 122.820 -0.048 0.000 2.256 400 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 400 A C 0.622 178.208 177.584 0.004 0.000 1.318 400 A CA 0.044 52.070 52.037 -0.019 0.000 0.894 400 A CB -0.148 18.823 19.000 -0.048 0.000 1.165 400 A HN 1.705 nan 8.150 nan 0.000 0.525 401 G N 1.478 110.299 108.800 0.035 0.000 2.353 401 G HA2 0.601 4.561 3.960 -0.000 0.000 0.239 401 G HA3 0.601 4.561 3.960 -0.000 0.000 0.239 401 G C 0.537 175.449 174.900 0.019 0.000 1.295 401 G CA 0.728 45.858 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.192 124.032 122.820 0.033 0.000 2.435 402 A HA 0.290 4.610 4.320 -0.000 0.000 0.686 402 A C 0.781 178.369 177.584 0.007 0.000 0.138 402 A CA 0.218 52.268 52.037 0.021 0.000 0.025 402 A CB -1.666 17.335 19.000 0.001 0.000 3.974 402 A HN 2.614 nan 8.150 nan 0.000 0.548 403 S N 1.653 117.377 115.700 0.040 0.000 2.611 403 S HA 0.523 4.993 4.470 -0.000 0.000 0.252 403 S C 0.946 175.575 174.600 0.049 0.000 1.369 403 S CA 0.221 58.458 58.200 0.062 0.000 0.975 403 S CB 0.708 63.970 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.513 123.411 122.820 0.129 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.296 178.041 177.584 0.269 0.000 1.661 404 A CA -0.484 51.645 52.037 0.154 0.000 1.363 404 A CB -1.399 17.854 19.000 0.421 0.000 1.139 404 A HN 1.115 nan 8.150 nan 0.000 0.598 405 I N 0.077 120.761 120.570 0.189 0.000 2.481 405 I HA 0.072 4.242 4.170 -0.000 0.000 0.304 405 I C -0.050 176.149 176.117 0.138 0.000 1.368 405 I CA 0.272 61.757 61.300 0.309 0.000 0.671 405 I CB -0.567 37.572 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.578 118.143 118.700 0.034 0.000 1.895 406 N HA 0.068 4.808 4.740 -0.000 0.000 0.243 406 N C 0.595 176.056 175.510 -0.081 0.000 1.350 406 N CA 0.075 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.517 39.001 38.487 -0.005 0.000 1.195 406 N HN 0.134 nan 8.380 nan 0.000 0.489 407 L N 1.709 122.827 121.223 -0.175 0.000 2.529 407 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 407 L C 1.261 177.895 176.870 -0.393 0.000 1.113 407 L CA 0.468 55.106 54.840 -0.335 0.000 0.861 407 L CB -0.551 41.160 42.059 -0.581 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.093 122.748 122.820 -0.274 0.000 2.251 408 A HA 0.608 4.928 4.320 -0.000 0.000 0.278 408 A C -0.068 177.465 177.584 -0.085 0.000 1.206 408 A CA -0.111 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.567 19.407 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.207 120.339 120.570 -0.039 0.000 2.785 409 I HA 0.119 4.289 4.170 -0.000 0.000 0.277 409 I C -1.268 174.864 176.117 0.026 0.000 1.591 409 I CA -0.405 60.900 61.300 0.008 0.000 1.150 409 I CB 0.679 38.682 38.000 0.004 0.000 1.550 409 I HN 0.805 nan 8.210 nan 0.000 0.414 410 N N 5.605 124.336 118.700 0.051 0.000 2.452 410 N HA 0.318 5.058 4.740 -0.000 0.000 0.266 410 N C -0.371 175.167 175.510 0.045 0.000 1.209 410 N CA 0.046 53.132 53.050 0.060 0.000 0.929 410 N CB 1.005 39.539 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.812 124.752 119.914 0.043 0.000 2.759 411 V HA 0.358 4.478 4.120 -0.000 0.000 0.342 411 V C -0.114 176.002 176.094 0.037 0.000 1.228 411 V CA -0.381 61.941 62.300 0.037 0.000 1.302 411 V CB -1.069 30.776 31.823 0.037 0.000 1.496 411 V HN 0.903 nan 8.190 nan 0.000 0.628 412 R N 0.567 121.091 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.053 177.378 176.300 0.042 0.000 1.014 412 R CA 0.272 56.394 56.100 0.036 0.000 0.616 412 R CB -1.461 28.857 30.300 0.030 0.000 1.598 412 R HN 0.949 nan 8.270 nan 0.000 0.400 413 G N 0.824 109.654 108.800 0.051 0.000 5.229 413 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G C 0.203 175.148 174.900 0.075 0.000 1.380 413 G CA 0.448 45.584 45.100 0.060 0.000 0.933 413 G HN 0.452 nan 8.290 nan 0.000 0.731 414 Q N 3.268 123.105 119.800 0.061 0.000 2.364 414 Q HA 0.246 4.586 4.340 -0.000 0.000 0.263 414 Q C -2.086 173.943 176.000 0.048 0.000 1.276 414 Q CA -0.765 55.072 55.803 0.057 0.000 0.923 414 Q CB 0.400 29.165 28.738 0.045 0.000 1.477 414 Q HN 0.444 nan 8.270 nan 0.000 0.484 415 P HA -0.019 nan 4.420 nan 0.000 0.267 415 P C -0.454 176.843 177.300 -0.005 0.000 1.209 415 P CA 0.246 63.337 63.100 -0.016 0.000 0.763 415 P CB 0.762 32.367 31.700 -0.157 0.000 0.816 416 R N 2.694 123.218 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.097 176.529 176.300 0.221 0.000 1.219 416 R CA -0.849 55.324 56.100 0.122 0.000 1.121 416 R CB 0.186 30.543 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.785 120.716 119.950 -0.031 0.000 2.404 417 F HA 0.265 4.792 4.527 -0.000 0.000 0.354 417 F C 0.883 176.674 175.800 -0.015 0.000 1.122 417 F CA -0.442 57.540 58.000 -0.029 0.000 1.080 417 F CB 0.999 39.988 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.282 123.973 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.242 175.772 175.510 0.033 0.000 1.286 418 N CA -0.273 52.771 53.050 -0.010 0.000 0.896 418 N CB 0.441 38.887 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.908 124.543 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.025 175.292 176.300 0.029 0.000 1.706 419 M CA 1.010 56.356 55.300 0.076 0.000 1.001 419 M CB -0.953 31.676 32.600 0.048 0.000 2.123 419 M HN 0.463 nan 8.290 nan 0.000 0.494 420 L N 3.949 125.233 121.223 0.102 0.000 2.434 420 L HA 0.605 4.945 4.340 -0.000 0.000 0.260 420 L C -1.413 175.602 176.870 0.241 0.000 0.983 420 L CA -0.673 54.200 54.840 0.054 0.000 0.820 420 L CB 2.116 44.190 42.059 0.025 0.000 1.361 420 L HN 0.505 nan 8.230 nan 0.000 0.410 421 H N 3.367 122.437 119.070 -0.000 0.000 2.638 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.303 421 H C -0.717 174.598 175.328 -0.021 0.000 1.034 421 H CA -0.969 55.070 56.048 -0.014 0.000 1.225 421 H CB 1.205 30.952 29.762 -0.026 0.000 1.394 421 H HN 0.511 nan 8.280 nan 0.000 0.477 422 L N 2.656 123.932 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.153 177.007 176.870 -0.028 0.000 1.198 422 L CA -0.475 54.390 54.840 0.042 0.000 0.814 422 L CB 0.299 42.394 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.304 120.080 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.780 174.181 176.000 -0.064 0.000 0.879 423 Q CA -0.623 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.873 29.574 28.738 -0.062 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.748 124.493 122.820 -0.126 0.000 2.257 424 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 424 A C 0.050 177.649 177.584 0.026 0.000 1.201 424 A CA -0.240 51.821 52.037 0.040 0.000 0.863 424 A CB 1.184 20.306 19.000 0.203 0.000 1.256 424 A HN 0.719 nan 8.150 nan 0.000 0.506 425 T N 0.609 115.215 114.554 0.086 0.000 3.816 425 T HA 0.228 4.578 4.350 -0.000 0.000 0.232 425 T C -0.542 174.210 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.671 68.210 68.868 0.022 0.000 0.805 425 T HN 0.500 nan 8.240 nan 0.000 0.647 426 F N 3.196 123.162 119.950 0.027 0.000 2.635 426 F HA 0.209 4.736 4.527 -0.000 0.000 0.379 426 F C 0.182 175.993 175.800 0.018 0.000 1.094 426 F CA 0.256 58.281 58.000 0.041 0.000 1.300 426 F CB 0.560 39.594 39.000 0.056 0.000 1.035 426 F HN 0.152 nan 8.300 nan 0.000 0.581 427 E N 6.774 126.285 120.200 -1.148 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.838 176.850 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.831 0.000 0.782 427 E CB 1.525 31.003 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.841 121.908 120.500 -0.722 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.600 177.785 176.300 -0.190 0.000 1.085 428 R CA 2.797 58.717 56.100 -0.300 0.000 0.890 428 R CB -0.263 29.968 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.059 120.038 120.200 -0.172 0.000 2.299 429 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 429 E C 1.495 178.044 176.600 -0.085 0.000 0.998 429 E CA 1.346 57.690 56.400 -0.093 0.000 0.851 429 E CB -0.228 29.429 29.700 -0.071 0.000 0.795 429 E HN 0.490 nan 8.360 nan 0.000 0.492 430 T N -0.433 114.038 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 430 T C 1.522 176.223 174.700 0.002 0.000 1.104 430 T CA 0.722 62.782 62.100 -0.068 0.000 1.114 430 T CB -0.332 68.486 68.868 -0.084 0.000 0.867 430 T HN 0.229 nan 8.240 nan 0.000 0.513 431 I N 2.075 122.665 120.570 0.032 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.024 176.112 176.117 0.032 0.000 1.532 431 I CA -0.422 60.931 61.300 0.090 0.000 1.163 431 I CB -0.106 38.034 38.000 0.233 0.000 1.339 431 I HN 0.165 nan 8.210 nan 0.000 0.449 432 T N 0.698 115.253 114.554 0.002 0.000 2.930 432 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 432 T C 1.299 175.986 174.700 -0.022 0.000 1.045 432 T CA 0.799 62.892 62.100 -0.012 0.000 1.134 432 T CB 1.421 70.279 68.868 -0.016 0.000 0.961 432 T HN 0.691 nan 8.240 nan 0.000 0.545 433 G N 2.978 111.757 108.800 -0.036 0.000 4.754 433 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G C 0.510 175.358 174.900 -0.087 0.000 1.377 433 G CA 0.004 45.074 45.100 -0.051 0.000 0.942 433 G HN 0.814 nan 8.290 nan 0.000 0.671 434 I N 3.768 124.294 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.549 175.440 176.117 -0.213 0.000 1.225 434 I CA 0.328 61.567 61.300 -0.101 0.000 1.536 434 I CB 0.035 38.006 38.000 -0.049 0.000 1.561 434 I HN 0.211 nan 8.210 nan 0.000 0.666 435 P HA -0.145 nan 4.420 nan 0.000 0.215 435 P C -0.544 176.162 177.300 -0.990 0.000 1.153 435 P CA 1.594 64.232 63.100 -0.769 0.000 0.853 435 P CB 0.121 31.165 31.700 -1.093 0.000 0.788 436 Y N -1.085 119.175 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.039 175.776 175.900 -0.271 0.000 0.968 436 Y CA -1.234 56.771 58.100 -0.158 0.000 1.123 436 Y CB 1.514 40.010 38.460 0.060 0.000 1.165 436 Y HN -0.224 nan 8.280 nan 0.000 0.452 437 I N 3.314 123.528 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.226 173.347 176.117 -0.906 0.000 1.425 437 I CA -0.708 60.314 61.300 -0.462 0.000 1.039 437 I CB 1.856 39.748 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.516 124.833 120.300 0.028 0.000 2.492 438 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 438 Y C 0.464 176.342 175.900 -0.037 0.000 0.997 438 Y CA -0.970 57.120 58.100 -0.016 0.000 1.025 438 Y CB 2.118 40.551 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.831 111.687 108.800 0.092 0.000 2.353 439 G HA2 0.546 4.506 3.960 -0.000 0.000 0.284 439 G HA3 0.546 4.506 3.960 -0.000 0.000 0.284 439 G C -1.410 173.432 174.900 -0.096 0.000 1.172 439 G CA -0.490 44.582 45.100 -0.046 0.000 0.854 439 G HN 0.624 nan 8.290 nan 0.000 0.485 440 L N 2.725 123.670 121.223 -0.463 0.000 2.439 440 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 440 L C 0.391 177.069 176.870 -0.321 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.195 0.000 0.836 440 L CB 2.041 44.076 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.229 111.054 108.800 0.042 0.000 3.161 441 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 441 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 441 G C 0.099 175.015 174.900 0.027 0.000 0.893 441 G CA -0.002 45.197 45.100 0.165 0.000 1.756 441 G HN 0.585 nan 8.290 nan 0.000 0.549 442 T N 0.275 114.810 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.718 175.426 174.700 0.013 0.000 1.254 442 T CA -0.216 61.894 62.100 0.017 0.000 0.913 442 T CB 0.628 69.501 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.629 119.296 119.950 -0.041 0.000 2.619 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.281 443 F C 0.423 176.182 175.800 -0.069 0.000 1.065 443 F CA -0.201 57.785 58.000 -0.024 0.000 1.304 443 F CB 0.446 39.448 39.000 0.004 0.000 1.059 443 F HN 0.335 nan 8.300 nan 0.000 0.648 444 L N 2.226 123.520 121.223 0.118 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.896 176.026 176.870 0.087 0.000 1.211 444 L CA -0.116 54.733 54.840 0.015 0.000 1.096 444 L CB -1.520 40.394 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.487 124.161 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.626 175.669 176.117 0.296 0.000 1.114 445 I CA -1.439 59.975 61.300 0.190 0.000 1.418 445 I CB 0.698 38.757 38.000 0.098 0.000 1.394 445 I HN 0.167 nan 8.210 nan 0.000 0.552 446 P HA -0.039 nan 4.420 nan 0.000 0.245 446 P C -0.214 177.177 177.300 0.152 0.000 1.212 446 P CA 0.532 63.854 63.100 0.371 0.000 0.774 446 P CB 0.240 32.148 31.700 0.348 0.000 0.999 447 S N -1.415 114.356 115.700 0.117 0.000 2.305 447 S HA 0.246 4.716 4.470 -0.000 0.000 0.208 447 S C -3.201 171.421 174.600 0.038 0.000 0.797 447 S CA -1.219 57.017 58.200 0.059 0.000 1.007 447 S CB 0.194 63.421 63.200 0.045 0.000 1.334 447 S HN -0.088 nan 8.310 nan 0.000 0.380 448 P HA 0.321 nan 4.420 nan 0.000 0.265 448 P C -0.313 176.980 177.300 -0.013 0.000 1.193 448 P CA 0.466 63.565 63.100 -0.003 0.000 0.765 448 P CB 0.797 32.488 31.700 -0.014 0.000 0.823 449 T N 1.119 115.660 114.554 -0.023 0.000 2.804 449 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 449 T C 1.414 176.092 174.700 -0.036 0.000 1.099 449 T CA -0.377 61.711 62.100 -0.020 0.000 1.011 449 T CB 1.022 69.888 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.199 116.887 115.700 -0.019 0.000 2.399 450 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 450 S C 2.361 176.975 174.600 0.024 0.000 1.022 450 S CA 1.523 59.714 58.200 -0.015 0.000 0.983 450 S CB -0.422 62.792 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.554 117.279 115.700 0.041 0.000 2.368 451 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 451 S C 1.272 175.915 174.600 0.071 0.000 1.030 451 S CA 0.869 59.117 58.200 0.079 0.000 0.999 451 S CB -0.408 62.821 63.200 0.048 0.000 0.844 451 S HN 0.275 nan 8.310 nan 0.000 0.459 452 S N 2.442 118.138 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.446 174.962 174.600 -0.140 0.000 1.446 452 S CA -0.547 57.623 58.200 -0.050 0.000 1.150 452 S CB -0.464 62.693 63.200 -0.072 0.000 1.266 452 S HN 0.426 nan 8.310 nan 0.000 0.502 453 N N 0.417 118.963 118.700 -0.258 0.000 2.197 453 N HA 0.210 4.950 4.740 -0.000 0.000 0.201 453 N C -0.379 174.532 175.510 -0.998 0.000 1.148 453 N CA 0.449 53.095 53.050 -0.673 0.000 0.883 453 N CB 0.429 38.360 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.218 118.716 119.950 -0.027 0.000 2.936 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 454 F C 1.652 177.435 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.644 58.000 -0.023 0.000 1.104 454 F CB 0.151 39.141 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.128 115.873 115.700 0.075 0.000 2.327 455 S HA -0.062 4.407 4.470 -0.000 0.000 0.213 455 S C 0.457 175.050 174.600 -0.011 0.000 1.032 455 S CA 0.788 59.001 58.200 0.023 0.000 0.960 455 S CB -0.393 62.784 63.200 -0.038 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.921 119.595 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.856 172.637 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.111 38.590 38.487 -0.012 0.000 0.894 456 N HN 0.168 nan 8.380 nan 0.000 0.533 457 P HA -0.021 nan 4.420 nan 0.000 0.269 457 P C 0.085 177.521 177.300 0.227 0.000 1.461 457 P CA 0.375 63.513 63.100 0.062 0.000 0.809 457 P CB 0.008 31.731 31.700 0.038 0.000 1.503 458 T N 0.887 115.491 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 458 T C 1.082 175.796 174.700 0.023 0.000 0.942 458 T CA -0.191 61.936 62.100 0.046 0.000 1.161 458 T CB -0.308 68.554 68.868 -0.010 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.631 126.859 121.223 0.009 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.023 178.838 176.870 -0.092 0.000 1.150 459 L CA -0.226 54.562 54.840 -0.086 0.000 0.917 459 L CB -0.234 41.727 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.046 119.511 119.600 -0.072 0.000 2.446 460 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 460 M C 1.706 177.894 176.300 -0.187 0.000 1.066 460 M CA 1.051 56.303 55.300 -0.080 0.000 1.087 460 M CB -0.900 31.657 32.600 -0.072 0.000 1.406 460 M HN 0.343 nan 8.290 nan 0.000 0.459 461 D N -0.042 120.194 120.400 -0.274 0.000 2.351 461 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 461 D C 0.977 177.180 176.300 -0.162 0.000 0.968 461 D CA 0.536 54.309 54.000 -0.378 0.000 0.899 461 D CB -0.640 39.978 40.800 -0.303 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.295 109.024 108.800 -0.119 0.000 2.572 462 G HA2 0.332 4.292 3.960 -0.000 0.000 0.261 462 G HA3 0.332 4.292 3.960 -0.000 0.000 0.261 462 G C -0.385 174.500 174.900 -0.026 0.000 1.197 462 G CA -0.813 44.247 45.100 -0.066 0.000 0.870 462 G HN 0.331 nan 8.290 nan 0.000 0.548 463 L N 1.695 122.906 121.223 -0.019 0.000 2.404 463 L HA 0.312 4.652 4.340 -0.000 0.000 0.277 463 L C 0.210 177.038 176.870 -0.070 0.000 1.184 463 L CA -0.827 54.003 54.840 -0.016 0.000 1.013 463 L CB -0.093 41.954 42.059 -0.020 0.000 1.318 463 L HN 0.438 nan 8.230 nan 0.000 0.435 464 L N 4.365 125.574 121.223 -0.022 0.000 2.416 464 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 464 L C -0.240 176.545 176.870 -0.142 0.000 1.161 464 L CA 0.760 55.566 54.840 -0.056 0.000 0.845 464 L CB 1.204 43.306 42.059 0.073 0.000 1.119 464 L HN 0.443 nan 8.230 nan 0.000 0.464 465 T N 5.464 119.894 114.554 -0.207 0.000 3.064 465 T HA 0.288 4.638 4.350 -0.000 0.000 0.367 465 T C -0.532 174.029 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.721 69.450 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.207 123.968 119.914 -0.254 0.000 2.614 466 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 466 V C 0.039 176.030 176.094 -0.172 0.000 1.049 466 V CA 0.079 62.270 62.300 -0.182 0.000 1.038 466 V CB 0.878 32.602 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.826 120.311 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.678 171.986 174.700 -0.061 0.000 1.048 467 T CA -1.734 60.311 62.100 -0.092 0.000 1.033 467 T CB 1.210 70.031 68.868 -0.078 0.000 1.010 467 T HN 0.720 nan 8.240 nan 0.000 0.469 468 P HA 0.005 nan 4.420 nan 0.000 0.256 468 P C 0.160 177.444 177.300 -0.027 0.000 1.173 468 P CA -0.046 63.032 63.100 -0.036 0.000 0.768 468 P CB 0.800 32.475 31.700 -0.040 0.000 0.758 469 V N 7.142 127.045 119.914 -0.018 0.000 2.219 469 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 469 V C -0.240 175.842 176.094 -0.020 0.000 1.266 469 V CA -0.268 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.834 30.976 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.279 126.492 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.378 177.243 176.870 -0.009 0.000 1.090 470 L CA -0.095 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.167 42.214 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.641 122.860 121.223 -0.007 0.000 2.021 471 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 471 L C 2.578 179.450 176.870 0.002 0.000 1.074 471 L CA 2.720 57.558 54.840 -0.003 0.000 0.760 471 L CB -0.705 41.355 42.059 0.003 0.000 0.889 471 L HN 0.708 nan 8.230 nan 0.000 0.433 472 R N 0.573 121.076 120.500 0.005 0.000 2.153 472 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 472 R C 0.469 176.776 176.300 0.011 0.000 1.158 472 R CA 1.160 57.266 56.100 0.011 0.000 0.975 472 R CB -0.641 29.664 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.317 121.520 120.200 0.006 0.000 2.146 473 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 473 E C -0.714 175.888 176.600 0.004 0.000 0.989 473 E CA -0.267 56.139 56.400 0.010 0.000 0.799 473 E CB 1.881 31.589 29.700 0.013 0.000 1.088 473 E HN 0.092 nan 8.360 nan 0.000 0.397 474 T N 1.489 116.045 114.554 0.002 0.000 2.893 474 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 474 T C -0.480 174.234 174.700 0.023 0.000 0.991 474 T CA -0.215 61.878 62.100 -0.012 0.000 0.950 474 T CB 1.398 70.235 68.868 -0.053 0.000 1.223 474 T HN 0.321 nan 8.240 nan 0.000 0.585 475 T N 1.744 116.321 114.554 0.038 0.000 2.916 475 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 475 T C -2.091 172.724 174.700 0.193 0.000 1.031 475 T CA -0.335 61.819 62.100 0.090 0.000 0.993 475 T CB 1.067 69.972 68.868 0.061 0.000 1.045 475 T HN 0.491 nan 8.240 nan 0.000 0.454 476 Y N 2.740 123.049 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.117 176.039 175.900 0.036 0.000 1.044 476 Y CA -1.395 56.717 58.100 0.020 0.000 1.085 476 Y CB 0.960 39.423 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.850 123.929 120.400 -0.535 0.000 3.130 477 K HA -0.214 4.106 4.320 -0.000 0.000 0.282 477 K C 0.830 177.340 176.600 -0.150 0.000 1.145 477 K CA 1.338 57.361 56.287 -0.439 0.000 0.831 477 K CB -1.672 30.487 32.500 -0.568 0.000 1.226 477 K HN 1.590 nan 8.250 nan 0.000 0.478 478 G N -0.833 107.945 108.800 -0.036 0.000 2.201 478 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.212 478 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.212 478 G C -0.175 174.750 174.900 0.042 0.000 0.994 478 G CA 0.304 45.420 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.429 119.796 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.003 176.644 176.600 0.078 0.000 0.933 479 E CA -0.613 55.822 56.400 0.057 0.000 0.809 479 E CB 2.362 32.093 29.700 0.052 0.000 1.190 479 E HN 0.221 nan 8.360 nan 0.000 0.406 480 V N 2.780 122.735 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.137 175.992 176.094 0.058 0.000 1.037 480 V CA -0.416 61.923 62.300 0.066 0.000 0.900 480 V CB 0.938 32.799 31.823 0.064 0.000 0.983 480 V HN 0.435 nan 8.190 nan 0.000 0.459 481 V N 3.065 123.013 119.914 0.056 0.000 3.119 481 V HA 0.546 4.666 4.120 -0.000 0.000 0.311 481 V C 0.125 176.239 176.094 0.033 0.000 1.259 481 V CA -0.650 61.679 62.300 0.047 0.000 1.067 481 V CB 2.419 34.278 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N 0.002 120.420 120.400 0.031 0.000 2.474 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.213 482 D C 0.094 176.417 176.300 0.037 0.000 1.120 482 D CA 0.748 54.765 54.000 0.029 0.000 0.836 482 D CB 1.790 42.605 40.800 0.025 0.000 1.019 482 D HN 0.677 nan 8.370 nan 0.000 0.507 483 A N 0.747 123.590 122.820 0.038 0.000 2.549 483 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 483 A C -0.731 176.873 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.465 20.493 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.271 120.872 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.100 176.026 176.117 0.015 0.000 1.041 484 I CA -0.928 60.354 61.300 -0.030 0.000 1.069 484 I CB 1.945 39.866 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.260 123.148 119.914 -0.042 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.752 174.342 176.094 0.000 0.000 1.235 485 V CA -1.042 61.258 62.300 0.001 0.000 1.250 485 V CB -0.211 31.617 31.823 0.008 0.000 1.469 485 V HN 0.596 nan 8.190 nan 0.000 0.646 486 P HA -0.446 nan 4.420 nan 0.000 0.232 486 P C 1.790 179.110 177.300 0.033 0.000 0.768 486 P CA 3.214 66.354 63.100 0.068 0.000 1.075 486 P CB -0.232 31.548 31.700 0.134 0.000 0.715 487 A N -2.225 120.622 122.820 0.044 0.000 2.009 487 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 487 A C 2.288 179.896 177.584 0.040 0.000 1.175 487 A CA 3.104 55.165 52.037 0.041 0.000 0.651 487 A CB -1.857 17.164 19.000 0.034 0.000 0.815 487 A HN 0.405 nan 8.150 nan 0.000 0.459 488 T N -0.604 113.967 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.679 176.425 174.700 0.077 0.000 1.040 488 T CA 1.567 63.701 62.100 0.056 0.000 1.141 488 T CB -0.318 68.586 68.868 0.060 0.000 0.868 488 T HN 0.230 nan 8.240 nan 0.000 0.444 489 V N 1.647 121.558 119.914 -0.005 0.000 3.305 489 V HA 0.052 4.172 4.120 -0.000 0.000 0.269 489 V C 0.828 176.970 176.094 0.079 0.000 1.157 489 V CA 0.426 62.744 62.300 0.029 0.000 1.157 489 V CB -0.934 30.803 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.061 119.704 119.600 0.072 0.000 2.235 490 M HA 0.422 4.902 4.480 -0.000 0.000 0.351 490 M C 1.052 177.399 176.300 0.079 0.000 1.178 490 M CA -0.042 55.306 55.300 0.079 0.000 1.143 490 M CB -0.242 32.400 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.972 125.839 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.915 178.540 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.806 17.227 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.105 116.646 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.103 175.664 175.510 0.085 0.000 1.343 492 N CA 0.168 53.274 53.050 0.093 0.000 0.881 492 N CB 0.375 38.946 38.487 0.141 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.492 120.345 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.376 176.404 176.000 0.048 0.000 0.970 493 Q CA -0.258 55.588 55.803 0.072 0.000 0.919 493 Q CB 1.329 30.122 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.253 111.321 114.554 0.033 0.000 2.922 494 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 494 T C 1.033 175.749 174.700 0.026 0.000 1.005 494 T CA -0.098 62.016 62.100 0.023 0.000 0.982 494 T CB 0.831 69.703 68.868 0.008 0.000 1.158 494 T HN 0.353 nan 8.240 nan 0.000 0.566 495 S N 1.028 116.740 115.700 0.019 0.000 2.407 495 S HA -0.226 4.244 4.470 -0.000 0.000 0.244 495 S C 1.774 176.389 174.600 0.024 0.000 1.077 495 S CA 2.181 60.393 58.200 0.020 0.000 1.159 495 S CB -0.597 62.610 63.200 0.011 0.000 1.045 495 S HN 0.939 nan 8.310 nan 0.000 0.438 496 E N 0.567 120.778 120.200 0.018 0.000 2.481 496 E HA 0.118 4.468 4.350 -0.000 0.000 0.198 496 E C 1.300 177.916 176.600 0.026 0.000 1.027 496 E CA 0.088 56.501 56.400 0.022 0.000 0.900 496 E CB -0.111 29.595 29.700 0.009 0.000 0.993 496 E HN 0.608 nan 8.360 nan 0.000 0.482 497 E N 0.983 121.197 120.200 0.024 0.000 2.526 497 E HA -0.019 4.331 4.350 -0.000 0.000 0.198 497 E C 1.044 177.685 176.600 0.067 0.000 1.091 497 E CA 0.129 56.547 56.400 0.030 0.000 0.880 497 E CB 0.412 30.123 29.700 0.018 0.000 0.873 497 E HN 0.142 nan 8.360 nan 0.000 0.527 498 V N -0.314 119.641 119.914 0.069 0.000 2.840 498 V HA 0.088 4.208 4.120 -0.000 0.000 0.234 498 V C 2.005 178.156 176.094 0.095 0.000 1.159 498 V CA 1.076 63.425 62.300 0.083 0.000 1.194 498 V CB 0.020 31.883 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.704 122.166 122.820 0.084 0.000 2.125 499 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 499 A C 2.201 179.875 177.584 0.150 0.000 1.156 499 A CA 1.937 54.037 52.037 0.105 0.000 0.671 499 A CB -0.360 18.688 19.000 0.081 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.869 114.905 115.700 0.123 0.000 2.577 500 S HA 0.520 4.990 4.470 -0.000 0.000 0.219 500 S C 0.859 175.584 174.600 0.210 0.000 0.962 500 S CA 0.309 58.579 58.200 0.118 0.000 0.921 500 S CB -0.809 62.406 63.200 0.026 0.000 0.789 500 S HN 0.746 nan 8.310 nan 0.000 0.497 501 A N 1.444 124.390 122.820 0.210 0.000 2.492 501 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 501 A C 0.019 177.719 177.584 0.193 0.000 1.078 501 A CA -0.046 52.118 52.037 0.211 0.000 0.773 501 A CB 0.099 19.187 19.000 0.148 0.000 1.023 501 A HN 0.589 nan 8.150 nan 0.000 0.504 502 L N 2.315 123.548 121.223 0.015 0.000 2.262 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 502 L C 0.814 177.624 176.870 -0.100 0.000 1.035 502 L CA -0.556 54.126 54.840 -0.263 0.000 0.820 502 L CB 0.578 42.134 42.059 -0.838 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.706 127.509 122.820 -0.028 0.000 2.494 503 A HA -0.198 4.122 4.320 -0.000 0.000 0.291 503 A C 0.871 178.408 177.584 -0.078 0.000 0.951 503 A CA 1.318 53.312 52.037 -0.072 0.000 1.099 503 A CB -0.849 18.073 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.106 118.770 118.700 -0.060 0.000 2.765 504 N HA -0.141 4.599 4.740 -0.000 0.000 0.254 504 N C -0.873 174.597 175.510 -0.067 0.000 1.094 504 N CA 1.315 54.326 53.050 -0.065 0.000 0.680 504 N CB -0.764 37.689 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.023 119.341 120.400 -0.059 0.000 2.490 505 D HA 0.682 5.322 4.640 -0.000 0.000 0.232 505 D C 1.285 177.544 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.817 54.000 -0.027 0.000 0.914 505 D CB 0.873 41.690 40.800 0.028 0.000 1.431 505 D HN 0.168 nan 8.370 nan 0.000 0.483 506 A N 1.659 124.433 122.820 -0.077 0.000 1.893 506 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 506 A C 2.220 179.685 177.584 -0.198 0.000 1.309 506 A CA 2.659 54.536 52.037 -0.268 0.000 0.681 506 A CB -1.308 17.371 19.000 -0.535 0.000 0.842 506 A HN 0.717 nan 8.150 nan 0.000 0.468 507 I N -0.548 120.014 120.570 -0.014 0.000 2.113 507 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 507 I C 2.237 178.350 176.117 -0.007 0.000 1.057 507 I CA 1.889 63.210 61.300 0.035 0.000 1.314 507 I CB -0.561 37.521 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.576 120.483 119.914 -0.011 0.000 2.759 508 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 508 V C 2.173 178.227 176.094 -0.066 0.000 1.080 508 V CA 1.340 63.629 62.300 -0.018 0.000 1.101 508 V CB -0.431 31.385 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.617 120.504 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 2.000 178.732 176.870 -0.230 0.000 1.078 509 L CA 0.714 55.372 54.840 -0.303 0.000 0.780 509 L CB -0.150 41.515 42.059 -0.658 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.412 118.378 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.936 178.083 176.094 0.089 0.000 1.244 510 V CA 1.088 63.386 62.300 -0.003 0.000 1.182 510 V CB 0.047 31.848 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.170 115.906 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.737 176.388 174.600 0.086 0.000 1.077 511 S CA 0.270 58.511 58.200 0.069 0.000 0.906 511 S CB 0.015 63.239 63.200 0.039 0.000 0.804 511 S HN 0.548 nan 8.310 nan 0.000 0.497 512 N N 0.754 119.512 118.700 0.096 0.000 2.331 512 N HA 0.019 4.759 4.740 -0.000 0.000 0.180 512 N C 1.347 176.980 175.510 0.205 0.000 1.019 512 N CA 0.957 54.076 53.050 0.115 0.000 0.881 512 N CB -0.241 38.303 38.487 0.094 0.000 0.972 512 N HN 0.425 nan 8.380 nan 0.000 0.435 513 H N 0.370 119.522 119.070 0.136 0.000 2.287 513 H HA 0.215 4.771 4.556 -0.000 0.000 0.309 513 H C 1.837 177.255 175.328 0.150 0.000 1.059 513 H CA 1.098 57.254 56.048 0.180 0.000 1.357 513 H CB -0.389 29.550 29.762 0.295 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.158 121.514 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.038 178.974 176.870 0.110 0.000 1.080 514 L CA 1.545 56.509 54.840 0.207 0.000 0.754 514 L CB -0.556 41.647 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.234 118.497 118.700 0.053 0.000 2.205 515 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 515 N C 1.780 177.299 175.510 0.015 0.000 1.015 515 N CA 0.963 54.014 53.050 0.002 0.000 0.862 515 N CB 0.045 38.540 38.487 0.014 0.000 0.986 515 N HN 0.200 nan 8.380 nan 0.000 0.429 516 K N 0.526 120.941 120.400 0.025 0.000 2.007 516 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 516 K C 1.826 178.435 176.600 0.014 0.000 1.047 516 K CA 0.398 56.691 56.287 0.010 0.000 0.937 516 K CB -0.997 31.495 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.373 122.603 121.223 0.011 0.000 2.187 517 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 517 L C 1.945 178.933 176.870 0.197 0.000 1.100 517 L CA 1.723 56.604 54.840 0.068 0.000 0.765 517 L CB -0.820 41.271 42.059 0.053 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.335 122.598 122.820 0.189 0.000 2.014 518 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 518 A C 1.829 179.455 177.584 0.070 0.000 1.163 518 A CA 1.281 53.398 52.037 0.132 0.000 0.652 518 A CB -0.381 18.512 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.485 118.241 118.700 0.044 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.489 177.020 175.510 0.036 0.000 1.066 519 N CA 0.826 53.893 53.050 0.029 0.000 0.895 519 N CB 0.339 38.834 38.487 0.014 0.000 0.988 519 N HN 0.261 nan 8.380 nan 0.000 0.457 520 V N 1.097 121.037 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.504 178.626 176.094 0.046 0.000 1.037 520 V CA 1.307 63.628 62.300 0.035 0.000 1.029 520 V CB -0.535 31.302 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.097 120.056 119.914 0.074 0.000 2.270 521 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 521 V C 2.568 178.703 176.094 0.068 0.000 1.043 521 V CA 2.124 64.471 62.300 0.078 0.000 1.014 521 V CB -2.003 29.896 31.823 0.126 0.000 0.645 521 V HN 0.422 nan 8.190 nan 0.000 0.447 522 G N 0.005 108.848 108.800 0.071 0.000 2.547 522 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G C 1.351 176.272 174.900 0.035 0.000 1.140 522 G CA 1.414 46.542 45.100 0.047 0.000 0.760 522 G HN 0.575 nan 8.290 nan 0.000 0.583 523 D N 0.337 120.756 120.400 0.032 0.000 2.128 523 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 523 D C 2.938 179.253 176.300 0.024 0.000 0.983 523 D CA 1.140 55.155 54.000 0.024 0.000 0.889 523 D CB -0.312 40.501 40.800 0.021 0.000 1.018 523 D HN 0.209 nan 8.370 nan 0.000 0.448 524 A N 1.436 124.270 122.820 0.024 0.000 1.835 524 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 524 A C 1.538 179.135 177.584 0.022 0.000 1.199 524 A CA 0.709 52.759 52.037 0.021 0.000 0.615 524 A CB -0.873 18.138 19.000 0.018 0.000 0.838 524 A HN 0.279 nan 8.150 nan 0.000 0.444 525 I N 1.277 121.863 120.570 0.027 0.000 2.754 525 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 525 I C -1.754 174.382 176.117 0.031 0.000 1.166 525 I CA -1.331 59.987 61.300 0.029 0.000 1.417 525 I CB 0.729 38.749 38.000 0.033 0.000 1.382 525 I HN 0.230 nan 8.210 nan 0.000 0.588 526 P HA 0.089 nan 4.420 nan 0.000 0.212 526 P C 0.374 177.694 177.300 0.034 0.000 1.816 526 P CA -0.058 63.058 63.100 0.027 0.000 0.944 526 P CB -0.042 31.669 31.700 0.018 0.000 1.896 527 V N -0.010 119.931 119.914 0.045 0.000 3.564 527 V HA 0.107 4.227 4.120 -0.000 0.000 0.283 527 V C 1.550 177.674 176.094 0.050 0.000 1.227 527 V CA 1.091 63.425 62.300 0.057 0.000 1.217 527 V CB -1.443 30.427 31.823 0.078 0.000 0.994 527 V HN 0.401 nan 8.190 nan 0.000 0.446 528 A N 0.211 123.054 122.820 0.037 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.351 177.949 177.584 0.024 0.000 0.964 528 A CA 0.318 52.374 52.037 0.031 0.000 1.045 528 A CB 0.297 19.313 19.000 0.027 0.000 1.174 528 A HN 0.548 nan 8.150 nan 0.000 0.493 529 S N -0.940 114.774 115.700 0.023 0.000 2.611 529 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 529 S C 0.048 174.656 174.600 0.013 0.000 1.156 529 S CA -0.853 57.356 58.200 0.015 0.000 0.817 529 S CB 0.687 63.892 63.200 0.009 0.000 1.122 529 S HN 0.565 nan 8.310 nan 0.000 0.466 530 R N -0.296 120.206 120.500 0.004 0.000 2.858 530 R HA 0.112 4.452 4.340 -0.000 0.000 0.228 530 R C 0.733 177.020 176.300 -0.022 0.000 1.471 530 R CA 0.658 56.756 56.100 -0.003 0.000 1.342 530 R CB -1.419 28.876 30.300 -0.009 0.000 1.152 530 R HN 0.727 nan 8.270 nan 0.000 0.521 531 T N -2.453 112.091 114.554 -0.016 0.000 3.278 531 T HA 0.006 4.356 4.350 -0.000 0.000 0.251 531 T C 0.087 174.761 174.700 -0.044 0.000 1.039 531 T CA -0.551 61.529 62.100 -0.034 0.000 0.935 531 T CB -0.201 68.656 68.868 -0.019 0.000 1.034 531 T HN 0.263 nan 8.240 nan 0.000 0.575 532 D N 3.541 123.919 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.103 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.194 39.470 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.696 118.727 120.400 0.040 0.000 2.319 533 D HA -0.014 4.626 4.640 -0.000 0.000 0.235 533 D C 1.432 177.774 176.300 0.070 0.000 1.304 533 D CA 0.309 54.334 54.000 0.042 0.000 0.894 533 D CB 0.498 41.322 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.154 115.576 115.700 0.050 0.000 2.402 534 S HA -0.264 4.206 4.470 -0.000 0.000 0.233 534 S C 1.938 176.567 174.600 0.048 0.000 1.030 534 S CA 0.940 59.170 58.200 0.050 0.000 1.003 534 S CB -0.985 62.232 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.387 125.232 122.820 0.042 0.000 1.832 535 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 535 A C 2.595 180.201 177.584 0.037 0.000 1.200 535 A CA 2.244 54.296 52.037 0.024 0.000 0.610 535 A CB -1.831 17.187 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.616 111.984 114.554 0.076 0.000 3.077 536 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 536 T C 1.743 176.531 174.700 0.148 0.000 1.146 536 T CA 1.903 64.065 62.100 0.103 0.000 1.091 536 T CB -0.306 68.647 68.868 0.141 0.000 0.892 536 T HN 0.324 nan 8.240 nan 0.000 0.533 537 S N 0.034 115.836 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.443 177.067 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.239 0.000 0.953 537 S CB -0.693 62.681 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.622 124.451 122.820 0.016 0.000 1.902 538 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 538 A C 2.000 179.544 177.584 -0.068 0.000 1.181 538 A CA 1.443 53.463 52.037 -0.029 0.000 0.623 538 A CB -0.741 18.240 19.000 -0.033 0.000 0.818 538 A HN 0.613 nan 8.150 nan 0.000 0.443 539 I N -0.793 119.737 120.570 -0.067 0.000 2.252 539 I HA -0.182 3.987 4.170 -0.000 0.000 0.245 539 I C 2.327 178.360 176.117 -0.141 0.000 1.102 539 I CA 0.872 62.121 61.300 -0.084 0.000 1.385 539 I CB -0.363 37.604 38.000 -0.056 0.000 1.064 539 I HN 0.133 nan 8.210 nan 0.000 0.414 540 V N 1.208 120.987 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.674 178.523 176.094 -0.409 0.000 1.060 540 V CA 2.441 64.473 62.300 -0.447 0.000 1.042 540 V CB -0.746 30.455 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.301 115.212 115.700 -0.312 0.000 2.423 541 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 541 S C 2.030 176.548 174.600 -0.137 0.000 1.014 541 S CA 0.746 58.815 58.200 -0.219 0.000 0.965 541 S CB -0.323 62.794 63.200 -0.139 0.000 0.785 541 S HN 0.470 nan 8.310 nan 0.000 0.495 542 R N 1.379 121.811 120.500 -0.114 0.000 2.062 542 R HA 0.236 4.576 4.340 -0.000 0.000 0.229 542 R C 2.405 178.673 176.300 -0.054 0.000 1.128 542 R CA 0.992 57.051 56.100 -0.069 0.000 0.960 542 R CB -1.299 28.967 30.300 -0.058 0.000 0.855 542 R HN 0.446 nan 8.270 nan 0.000 0.432 543 L N 0.526 121.704 121.223 -0.075 0.000 2.043 543 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 543 L C 2.627 179.497 176.870 -0.001 0.000 1.075 543 L CA 1.563 56.378 54.840 -0.041 0.000 0.752 543 L CB -0.836 41.177 42.059 -0.076 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 A N 0.090 122.885 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.282 179.916 177.584 0.084 0.000 1.203 544 A CA 1.879 53.945 52.037 0.048 0.000 0.614 544 A CB -1.114 17.859 19.000 -0.045 0.000 0.844 544 A HN 0.135 nan 8.150 nan 0.000 0.445 545 V N 0.647 120.574 119.914 0.021 0.000 2.511 545 V HA -0.309 3.811 4.120 -0.000 0.000 0.257 545 V C 2.762 178.876 176.094 0.034 0.000 1.088 545 V CA 2.443 64.756 62.300 0.023 0.000 1.098 545 V CB -0.710 31.110 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.231 119.593 119.800 0.040 0.000 2.013 546 Q HA -0.184 4.156 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.403 176.000 0.063 0.000 0.974 546 Q CA 1.658 57.484 55.803 0.039 0.000 0.826 546 Q CB -0.545 28.210 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.508 119.575 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.683 177.011 175.328 -0.001 0.000 1.051 547 H CA 1.158 57.203 56.048 -0.005 0.000 1.280 547 H CB 0.396 30.152 29.762 -0.009 0.000 1.380 547 H HN 0.040 nan 8.280 nan 0.000 0.566 548 K N 1.044 121.526 120.400 0.136 0.000 2.116 548 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 548 K C 2.274 178.862 176.600 -0.020 0.000 1.052 548 K CA 0.833 57.172 56.287 0.087 0.000 0.952 548 K CB -0.100 32.480 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.408 120.803 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.800 178.633 176.870 -0.060 0.000 1.115 549 L CA 1.659 56.481 54.840 -0.030 0.000 0.820 549 L CB -1.106 40.945 42.059 -0.014 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.260 114.383 115.700 -0.095 0.000 2.515 550 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 550 S C 1.932 176.443 174.600 -0.149 0.000 0.987 550 S CA 0.861 58.994 58.200 -0.110 0.000 0.936 550 S CB -0.385 62.744 63.200 -0.119 0.000 0.766 550 S HN 0.587 nan 8.310 nan 0.000 0.528 551 Q N 0.922 120.610 119.800 -0.187 0.000 2.376 551 Q HA 0.345 4.685 4.340 -0.000 0.000 0.206 551 Q C 0.299 176.247 176.000 -0.087 0.000 0.921 551 Q CA 0.078 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.006 28.598 28.738 -0.224 0.000 1.032 551 Q HN 0.427 nan 8.270 nan 0.000 0.510 552 V N 1.109 120.984 119.914 -0.064 0.000 2.763 552 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 552 V C 0.518 176.592 176.094 -0.033 0.000 1.059 552 V CA 0.817 63.095 62.300 -0.036 0.000 1.138 552 V CB 0.316 32.124 31.823 -0.024 0.000 0.940 552 V HN 0.607 nan 8.190 nan 0.000 0.489 553 G N 4.282 113.068 108.800 -0.024 0.000 3.276 553 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G C -0.542 174.343 174.900 -0.024 0.000 0.911 553 G CA 0.565 45.653 45.100 -0.020 0.000 0.797 553 G HN 1.507 nan 8.290 nan 0.000 0.503 554 Q N 0.106 119.894 119.800 -0.019 0.000 3.232 554 Q HA 0.142 4.482 4.340 -0.000 0.000 0.030 554 Q C 1.322 177.310 176.000 -0.020 0.000 1.707 554 Q CA 0.742 56.533 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.693 28.738 -0.024 0.000 0.635 554 Q HN 2.651 nan 8.270 nan 0.000 0.323 555 A N 2.473 125.284 122.820 -0.015 0.000 2.254 555 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 555 A C 1.066 178.642 177.584 -0.014 0.000 1.184 555 A CA 2.652 54.681 52.037 -0.013 0.000 0.688 555 A CB -1.309 17.684 19.000 -0.011 0.000 0.821 555 A HN 2.205 nan 8.150 nan 0.000 0.498 556 S N -2.700 112.987 115.700 -0.021 0.000 3.425 556 S HA -0.195 4.275 4.470 -0.000 0.000 0.377 556 S C -0.515 174.076 174.600 -0.015 0.000 0.989 556 S CA 0.828 59.014 58.200 -0.024 0.000 1.183 556 S CB -2.144 61.046 63.200 -0.017 0.000 0.908 556 S HN 0.741 nan 8.310 nan 0.000 0.472 557 P HA 0.060 nan 4.420 nan 0.000 0.228 557 P C 0.067 177.364 177.300 -0.004 0.000 1.151 557 P CA 0.887 63.982 63.100 -0.008 0.000 0.770 557 P CB -0.265 31.430 31.700 -0.008 0.000 0.786 558 T N 3.329 117.881 114.554 -0.003 0.000 2.963 558 T HA 0.309 4.659 4.350 -0.000 0.000 0.343 558 T C -2.658 172.059 174.700 0.029 0.000 1.146 558 T CA -1.545 60.563 62.100 0.014 0.000 1.016 558 T CB 1.230 70.122 68.868 0.039 0.000 1.046 558 T HN 0.062 nan 8.240 nan 0.000 0.496 559 P HA 0.192 nan 4.420 nan 0.000 0.271 559 P C -2.370 174.882 177.300 -0.080 0.000 1.226 559 P CA -1.272 61.817 63.100 -0.018 0.000 0.765 559 P CB -0.239 31.439 31.700 -0.036 0.000 0.835 560 P HA -0.131 nan 4.420 nan 0.000 0.267 560 P C 0.395 177.218 177.300 -0.795 0.000 1.175 560 P CA 0.486 63.338 63.100 -0.413 0.000 0.763 560 P CB 0.762 32.204 31.700 -0.430 0.000 0.795 561 D N 1.199 121.163 120.400 -0.728 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.764 176.797 176.300 -0.446 0.000 0.983 561 D CA 1.101 54.820 54.000 -0.470 0.000 0.889 561 D CB -0.054 40.599 40.800 -0.243 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.312 116.948 120.300 -0.067 0.000 2.716 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.473 562 Y C -1.529 174.497 175.900 0.211 0.000 1.306 562 Y CA 0.341 58.455 58.100 0.024 0.000 2.486 562 Y CB -1.957 36.564 38.460 0.103 0.000 1.090 562 Y HN 0.185 nan 8.280 nan 0.000 0.556 563 P HA -0.152 nan 4.420 nan 0.000 0.216 563 P C 1.648 179.072 177.300 0.207 0.000 1.150 563 P CA 2.014 65.274 63.100 0.266 0.000 0.837 563 P CB -0.088 31.699 31.700 0.145 0.000 0.786 564 L N -1.682 119.612 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.074 178.974 176.870 0.051 0.000 1.096 564 L CA 1.098 55.975 54.840 0.061 0.000 0.779 564 L CB -0.460 41.600 42.059 0.001 0.000 0.922 564 L HN -0.136 nan 8.230 nan 0.000 0.443 565 L N -1.612 119.637 121.223 0.042 0.000 2.095 565 L HA -0.154 4.186 4.340 -0.000 0.000 0.204 565 L C 2.326 179.178 176.870 -0.029 0.000 1.080 565 L CA 1.524 56.343 54.840 -0.034 0.000 0.759 565 L CB -0.910 41.103 42.059 -0.077 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.695 122.024 121.300 0.049 0.000 2.335 566 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 566 W C 2.926 179.457 176.519 0.020 0.000 1.213 566 W CA 1.266 58.627 57.345 0.026 0.000 1.274 566 W CB -0.243 29.231 29.460 0.023 0.000 1.148 566 W HN 0.073 nan 8.180 nan 0.000 0.498 567 R N 0.895 121.550 120.500 0.258 0.000 2.115 567 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 567 R C 2.311 178.672 176.300 0.101 0.000 1.111 567 R CA 1.498 57.690 56.100 0.153 0.000 0.976 567 R CB -0.366 30.002 30.300 0.113 0.000 0.870 567 R HN 0.117 nan 8.270 nan 0.000 0.445 568 R N -0.123 120.421 120.500 0.074 0.000 2.090 568 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 568 R C 1.872 178.197 176.300 0.040 0.000 1.110 568 R CA 1.332 57.458 56.100 0.043 0.000 0.973 568 R CB -0.172 30.139 30.300 0.018 0.000 0.869 568 R HN 0.277 nan 8.270 nan 0.000 0.440 569 A N 0.641 123.480 122.820 0.032 0.000 2.067 569 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 569 A C 1.943 179.567 177.584 0.068 0.000 1.156 569 A CA 1.068 53.118 52.037 0.022 0.000 0.683 569 A CB -0.166 18.808 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.946 121.410 120.400 0.106 0.000 2.057 570 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 570 K C 2.157 178.809 176.600 0.087 0.000 1.050 570 K CA 1.688 58.043 56.287 0.114 0.000 0.935 570 K CB -0.223 32.352 32.500 0.125 0.000 0.715 570 K HN 0.585 nan 8.250 nan 0.000 0.439 571 R N -0.459 120.086 120.500 0.075 0.000 2.193 571 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 571 R C 1.987 178.330 176.300 0.073 0.000 1.055 571 R CA 0.998 57.138 56.100 0.067 0.000 0.995 571 R CB -0.302 30.031 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.843 124.705 122.820 0.069 0.000 1.855 572 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 572 A C 2.518 180.167 177.584 0.107 0.000 1.191 572 A CA 1.376 53.458 52.037 0.075 0.000 0.613 572 A CB -0.800 18.228 19.000 0.047 0.000 0.829 572 A HN 0.485 nan 8.150 nan 0.000 0.442 573 A N -0.915 121.959 122.820 0.091 0.000 1.969 573 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 573 A C 2.464 180.150 177.584 0.169 0.000 1.169 573 A CA 2.140 54.244 52.037 0.112 0.000 0.635 573 A CB -0.815 18.228 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.959 114.815 115.700 0.124 0.000 2.357 574 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 574 S C 2.090 176.751 174.600 0.103 0.000 1.031 574 S CA 1.557 59.821 58.200 0.106 0.000 0.982 574 S CB -0.394 62.851 63.200 0.076 0.000 0.853 574 S HN 0.592 nan 8.310 nan 0.000 0.458 575 M N -0.167 119.495 119.600 0.102 0.000 2.279 575 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 575 M C 1.686 178.036 176.300 0.084 0.000 1.062 575 M CA 1.461 56.808 55.300 0.078 0.000 1.099 575 M CB -0.242 32.404 32.600 0.077 0.000 1.394 575 M HN 0.541 nan 8.290 nan 0.000 0.426 576 F N 0.112 120.074 119.950 0.021 0.000 2.053 576 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 576 F C 1.859 177.670 175.800 0.018 0.000 1.125 576 F CA 1.763 59.775 58.000 0.020 0.000 1.193 576 F CB -0.696 38.315 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.008 119.992 119.914 0.116 0.000 2.370 577 V HA -0.371 3.749 4.120 -0.000 0.000 0.252 577 V C 2.648 178.671 176.094 -0.118 0.000 1.068 577 V CA 2.074 64.373 62.300 -0.003 0.000 1.061 577 V CB -1.296 30.590 31.823 0.104 0.000 0.656 577 V HN 0.573 nan 8.190 nan 0.000 0.455 578 S N 0.299 115.957 115.700 -0.070 0.000 2.380 578 S HA -0.192 4.278 4.470 -0.000 0.000 0.217 578 S C 1.219 175.751 174.600 -0.113 0.000 1.036 578 S CA 1.944 60.105 58.200 -0.064 0.000 1.050 578 S CB -0.312 62.874 63.200 -0.024 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.735 119.352 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.243 173.119 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.469 39.913 38.487 -0.071 0.000 1.150 579 N HN 0.041 nan 8.380 nan 0.000 0.507 580 P HA -0.288 nan 4.420 nan 0.000 0.220 580 P C 1.362 178.509 177.300 -0.255 0.000 1.155 580 P CA 1.104 63.818 63.100 -0.644 0.000 0.880 580 P CB 0.256 31.670 31.700 -0.476 0.000 0.790 581 S N -0.946 114.680 115.700 -0.123 0.000 2.369 581 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 581 S C 1.889 176.497 174.600 0.012 0.000 1.043 581 S CA 1.568 59.753 58.200 -0.026 0.000 1.074 581 S CB -1.236 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.000 nan 8.310 nan 0.000 0.433 582 L N 1.119 122.344 121.223 0.003 0.000 2.166 582 L HA -0.318 4.022 4.340 -0.000 0.000 0.228 582 L C 2.578 179.492 176.870 0.074 0.000 1.101 582 L CA 1.701 56.562 54.840 0.036 0.000 0.821 582 L CB -0.998 41.080 42.059 0.032 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.910 121.980 122.820 0.117 0.000 2.292 583 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 583 A C 1.931 179.585 177.584 0.117 0.000 1.209 583 A CA 1.068 53.198 52.037 0.154 0.000 0.746 583 A CB -0.506 18.657 19.000 0.271 0.000 0.764 583 A HN 0.527 nan 8.150 nan 0.000 0.492 584 L N -2.005 119.274 121.223 0.093 0.000 2.642 584 L HA 0.101 4.441 4.340 -0.000 0.000 0.233 584 L C 0.483 177.398 176.870 0.076 0.000 1.077 584 L CA -0.045 54.847 54.840 0.087 0.000 0.879 584 L CB -0.111 41.998 42.059 0.084 0.000 1.151 584 L HN 0.379 nan 8.230 nan 0.000 0.495 585 Q N 1.472 121.311 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.408 175.621 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.426 55.803 0.053 0.000 0.919 585 Q CB 2.097 30.861 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.409 122.349 119.914 0.043 0.000 2.493 586 V HA 0.256 4.376 4.120 -0.000 0.000 0.292 586 V C 1.210 177.323 176.094 0.031 0.000 1.016 586 V CA 1.145 63.467 62.300 0.037 0.000 1.097 586 V CB 0.129 31.970 31.823 0.031 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.917 113.736 108.800 0.031 0.000 2.151 587 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G C -0.415 174.503 174.900 0.030 0.000 1.017 587 G CA -0.680 44.436 45.100 0.027 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.167 122.759 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.820 174.322 176.117 0.041 0.000 0.999 588 I CA -3.084 58.241 61.300 0.041 0.000 1.163 588 I CB 1.296 39.328 38.000 0.052 0.000 1.316 588 I HN -0.040 nan 8.210 nan 0.000 0.454 589 P HA 0.057 nan 4.420 nan 0.000 0.260 589 P C 0.854 178.176 177.300 0.036 0.000 1.172 589 P CA 0.491 63.611 63.100 0.033 0.000 0.760 589 P CB 1.154 32.873 31.700 0.031 0.000 0.773 590 V N 2.772 122.704 119.914 0.030 0.000 0.651 590 V HA -0.433 3.687 4.120 -0.000 0.000 0.092 590 V C 2.449 178.560 176.094 0.029 0.000 1.306 590 V CA 1.935 64.249 62.300 0.024 0.000 3.223 590 V CB -2.245 29.591 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.862 122.111 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 591 L C 2.243 179.145 176.870 0.054 0.000 1.096 591 L CA 2.976 57.852 54.840 0.060 0.000 0.814 591 L CB -0.771 41.352 42.059 0.107 0.000 0.901 591 L HN 0.989 nan 8.230 nan 0.000 0.446 592 T N -4.094 110.491 114.554 0.051 0.000 3.144 592 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 592 T C 0.679 175.399 174.700 0.035 0.000 1.089 592 T CA -0.211 61.918 62.100 0.049 0.000 0.989 592 T CB 0.028 68.927 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.552 121.367 119.800 0.024 0.000 2.299 593 Q HA 0.342 4.682 4.340 -0.000 0.000 0.246 593 Q C 1.460 177.468 176.000 0.013 0.000 0.935 593 Q CA -0.102 55.711 55.803 0.017 0.000 0.887 593 Q CB 1.419 30.164 28.738 0.011 0.000 1.223 593 Q HN 0.489 nan 8.270 nan 0.000 0.439 594 S N 1.314 117.022 115.700 0.013 0.000 2.392 594 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 594 S C 1.657 176.257 174.600 0.000 0.000 1.041 594 S CA 1.251 59.458 58.200 0.011 0.000 1.026 594 S CB -0.761 62.446 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.794 111.591 108.800 -0.006 0.000 2.604 595 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G C 0.590 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.079 46.169 45.100 -0.017 0.000 0.804 595 G HN 0.433 nan 8.290 nan 0.000 0.579 596 M N -0.021 119.557 119.600 -0.036 0.000 2.185 596 M HA 0.138 4.618 4.480 -0.000 0.000 0.308 596 M C 1.349 177.603 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.042 55.300 -0.060 0.000 1.027 596 M CB -0.161 32.410 32.600 -0.049 0.000 1.463 596 M HN 0.432 nan 8.290 nan 0.000 0.431 597 L N -1.145 119.992 121.223 -0.143 0.000 3.467 597 L HA -0.457 3.883 4.340 -0.000 0.000 0.185 597 L C 1.701 178.500 176.870 -0.118 0.000 4.356 597 L CA 1.466 56.195 54.840 -0.185 0.000 0.777 597 L CB -1.909 40.078 42.059 -0.121 0.000 3.491 597 L HN 0.815 nan 8.230 nan 0.000 0.841 598 S N -0.722 114.940 115.700 -0.063 0.000 2.383 598 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 598 S C 1.642 176.210 174.600 -0.053 0.000 1.030 598 S CA 2.147 60.322 58.200 -0.042 0.000 1.002 598 S CB -0.105 63.082 63.200 -0.021 0.000 0.829 598 S HN 0.563 nan 8.310 nan 0.000 0.467 599 A N 1.528 124.310 122.820 -0.064 0.000 1.831 599 A HA 0.124 4.444 4.320 -0.000 0.000 0.213 599 A C 2.070 179.604 177.584 -0.083 0.000 1.223 599 A CA 1.372 53.371 52.037 -0.064 0.000 0.604 599 A CB -1.283 17.680 19.000 -0.062 0.000 0.878 599 A HN 0.560 nan 8.150 nan 0.000 0.450 600 L N 0.553 121.704 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.681 179.474 176.870 -0.129 0.000 1.092 600 L CA 4.072 58.821 54.840 -0.152 0.000 0.808 600 L CB -1.492 40.401 42.059 -0.278 0.000 0.908 600 L HN 0.658 nan 8.230 nan 0.000 0.442 601 T N -2.113 112.351 114.554 -0.150 0.000 2.565 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.265 601 T C 2.007 176.668 174.700 -0.065 0.000 1.082 601 T CA 2.840 64.877 62.100 -0.104 0.000 1.173 601 T CB -1.729 67.084 68.868 -0.092 0.000 0.864 601 T HN 0.730 nan 8.240 nan 0.000 0.425 602 S N 1.619 117.287 115.700 -0.054 0.000 2.462 602 S HA 0.026 4.496 4.470 -0.000 0.000 0.243 602 S C 2.116 176.697 174.600 -0.032 0.000 1.003 602 S CA 1.201 59.379 58.200 -0.037 0.000 0.970 602 S CB -1.376 61.805 63.200 -0.032 0.000 0.762 602 S HN 0.870 nan 8.310 nan 0.000 0.510 603 G N 1.342 110.120 108.800 -0.037 0.000 2.518 603 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 603 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 603 G C 1.347 176.235 174.900 -0.019 0.000 1.226 603 G CA 0.552 45.637 45.100 -0.025 0.000 0.822 603 G HN 0.443 nan 8.290 nan 0.000 0.546 604 V N 2.207 122.105 119.914 -0.026 0.000 2.418 604 V HA -0.230 3.890 4.120 -0.000 0.000 0.258 604 V C 3.010 179.096 176.094 -0.014 0.000 1.088 604 V CA 2.138 64.428 62.300 -0.017 0.000 1.091 604 V CB -1.309 30.499 31.823 -0.024 0.000 0.669 604 V HN 0.472 nan 8.190 nan 0.000 0.461 605 G N 0.359 109.147 108.800 -0.021 0.000 2.666 605 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G C 1.779 176.672 174.900 -0.011 0.000 1.294 605 G CA 2.076 47.165 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.167 114.380 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.459 177.157 174.700 -0.003 0.000 1.064 606 T CA 2.126 64.222 62.100 -0.007 0.000 1.131 606 T CB -0.432 68.433 68.868 -0.006 0.000 0.858 606 T HN 0.507 nan 8.240 nan 0.000 0.483 607 A N 1.700 124.519 122.820 -0.002 0.000 1.908 607 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 607 A C 2.514 180.100 177.584 0.003 0.000 1.181 607 A CA 1.571 53.610 52.037 0.003 0.000 0.627 607 A CB -0.795 18.209 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.555 119.669 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.836 178.706 176.870 0.000 0.000 1.095 608 L CA 0.723 55.564 54.840 0.002 0.000 0.770 608 L CB -0.366 41.694 42.059 0.001 0.000 0.914 608 L HN 0.262 nan 8.230 nan 0.000 0.439 609 R N 0.338 120.837 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.263 176.562 176.300 -0.003 0.000 1.784 609 R CA 0.670 56.768 56.100 -0.003 0.000 1.509 609 R CB -0.231 30.066 30.300 -0.005 0.000 1.275 609 R HN 0.414 nan 8.270 nan 0.000 0.642 610 T N -7.738 106.815 114.554 -0.001 0.000 3.669 610 T HA -0.015 4.335 4.350 -0.000 0.000 0.294 610 T C 1.673 176.374 174.700 0.001 0.000 0.884 610 T CA 0.045 62.145 62.100 -0.000 0.000 0.815 610 T CB -0.032 68.835 68.868 -0.000 0.000 1.215 610 T HN 0.237 nan 8.240 nan 0.000 0.815 611 G N 1.726 110.527 108.800 0.003 0.000 2.717 611 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G C 1.032 175.935 174.900 0.005 0.000 1.088 611 G CA 1.571 46.674 45.100 0.005 0.000 0.734 611 G HN 0.944 nan 8.290 nan 0.000 0.616 612 S N -2.707 112.995 115.700 0.004 0.000 4.158 612 S HA -0.225 4.245 4.470 -0.000 0.000 0.615 612 S C 0.893 175.498 174.600 0.007 0.000 1.866 612 S CA 1.395 59.598 58.200 0.005 0.000 4.249 612 S CB -1.353 61.851 63.200 0.006 0.000 0.202 612 S HN 1.007 nan 8.310 nan 0.000 0.455 613 L N -1.248 119.983 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.102 177.986 176.870 0.024 0.000 1.189 613 L CA 0.989 55.840 54.840 0.018 0.000 1.303 613 L CB -0.474 41.599 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.463 109.277 108.800 0.023 0.000 3.530 614 G HA2 0.012 3.972 3.960 -0.000 0.000 0.269 614 G HA3 0.012 3.972 3.960 -0.000 0.000 0.269 614 G C 0.930 175.840 174.900 0.016 0.000 1.314 614 G CA 0.167 45.281 45.100 0.023 0.000 1.441 614 G HN 0.181 nan 8.290 nan 0.000 0.595 615 K N 0.332 120.741 120.400 0.015 0.000 2.283 615 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 615 K C 2.243 178.850 176.600 0.012 0.000 1.048 615 K CA 0.959 57.253 56.287 0.012 0.000 0.948 615 K CB -0.224 32.283 32.500 0.012 0.000 0.742 615 K HN 0.267 nan 8.250 nan 0.000 0.458 616 G N 0.864 109.673 108.800 0.015 0.000 2.708 616 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G C 1.181 176.088 174.900 0.012 0.000 1.141 616 G CA 0.252 45.361 45.100 0.015 0.000 0.788 616 G HN 0.245 nan 8.290 nan 0.000 0.531 617 V N 1.106 121.025 119.914 0.010 0.000 2.913 617 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 617 V C 1.368 177.465 176.094 0.004 0.000 1.098 617 V CA 1.270 63.574 62.300 0.006 0.000 1.121 617 V CB -0.633 31.193 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.269 116.826 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.417 175.120 174.700 0.004 0.000 0.942 618 T CA 0.493 62.594 62.100 0.003 0.000 1.161 618 T CB 0.067 68.938 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.444 121.845 120.400 0.001 0.000 2.811 619 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 619 D C 0.958 177.260 176.300 0.004 0.000 1.157 619 D CA 0.838 54.839 54.000 0.002 0.000 0.716 619 D CB -0.995 39.808 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.242 122.581 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.128 179.714 177.584 0.004 0.000 1.201 620 A CA 1.311 53.351 52.037 0.005 0.000 0.824 620 A CB 0.245 19.249 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.117 115.585 115.700 0.002 0.000 2.355 621 S HA -0.063 4.407 4.470 -0.000 0.000 0.216 621 S C 1.723 176.325 174.600 0.002 0.000 1.037 621 S CA 1.061 59.262 58.200 0.002 0.000 0.955 621 S CB -0.241 62.959 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.924 121.126 120.200 0.002 0.000 2.150 622 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 622 E C 2.095 178.698 176.600 0.004 0.000 0.985 622 E CA 0.643 57.045 56.400 0.003 0.000 0.814 622 E CB -0.076 29.626 29.700 0.003 0.000 0.752 622 E HN 0.440 nan 8.360 nan 0.000 0.466 623 K N 1.152 121.555 120.400 0.005 0.000 2.057 623 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 623 K C 2.208 178.812 176.600 0.007 0.000 1.049 623 K CA 0.698 56.989 56.287 0.006 0.000 0.931 623 K CB -0.024 32.481 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.900 122.126 121.223 0.006 0.000 2.005 624 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 624 L C 2.671 179.544 176.870 0.006 0.000 1.072 624 L CA 1.227 56.070 54.840 0.006 0.000 0.744 624 L CB -0.411 41.650 42.059 0.005 0.000 0.895 624 L HN 0.227 nan 8.230 nan 0.000 0.433 625 R N 0.458 120.960 120.500 0.005 0.000 2.159 625 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 625 R C 1.833 178.136 176.300 0.005 0.000 1.131 625 R CA 1.481 57.584 56.100 0.005 0.000 0.982 625 R CB -0.350 29.952 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.492 123.315 122.820 0.005 0.000 1.970 626 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 626 A C 2.192 179.779 177.584 0.005 0.000 1.170 626 A CA 0.528 52.568 52.037 0.004 0.000 0.645 626 A CB -0.234 18.769 19.000 0.004 0.000 0.816 626 A HN 0.249 nan 8.150 nan 0.000 0.447 627 R N -0.586 119.919 120.500 0.007 0.000 2.092 627 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 627 R C 2.285 178.592 176.300 0.011 0.000 1.119 627 R CA 1.520 57.626 56.100 0.010 0.000 0.970 627 R CB -0.248 30.059 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.234 119.573 119.800 0.011 0.000 2.167 628 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 628 Q C 2.133 178.139 176.000 0.010 0.000 0.970 628 Q CA 1.523 57.333 55.803 0.012 0.000 0.855 628 Q CB -0.000 28.744 28.738 0.011 0.000 0.911 628 Q HN 0.164 nan 8.270 nan 0.000 0.438 629 S N 0.160 115.864 115.700 0.006 0.000 2.382 629 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 629 S C 1.786 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.867 59.069 58.200 0.003 0.000 0.991 629 S CB -0.071 63.130 63.200 0.001 0.000 0.823 629 S HN 0.328 nan 8.310 nan 0.000 0.469 630 L N 0.370 121.592 121.223 -0.001 0.000 2.072 630 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 630 L C 2.966 179.830 176.870 -0.010 0.000 1.079 630 L CA 1.620 56.455 54.840 -0.009 0.000 0.752 630 L CB -1.011 41.044 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.877 113.680 114.554 0.005 0.000 2.881 631 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 631 T C 1.801 176.510 174.700 0.015 0.000 1.068 631 T CA 0.939 63.049 62.100 0.017 0.000 1.131 631 T CB 0.025 68.916 68.868 0.038 0.000 0.871 631 T HN 0.055 nan 8.240 nan 0.000 0.479 632 V N 1.096 121.017 119.914 0.011 0.000 2.453 632 V HA 0.050 4.170 4.120 -0.000 0.000 0.247 632 V C 2.858 178.954 176.094 0.004 0.000 1.048 632 V CA 1.594 63.903 62.300 0.014 0.000 1.049 632 V CB -0.868 30.963 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.380 122.435 122.820 -0.009 0.000 1.970 633 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 633 A C 2.278 179.841 177.584 -0.035 0.000 1.170 633 A CA 1.657 53.684 52.037 -0.016 0.000 0.645 633 A CB -0.330 18.655 19.000 -0.024 0.000 0.816 633 A HN 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.553 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 634 K C 2.116 178.567 176.600 -0.249 0.000 1.051 634 K CA 1.432 57.620 56.287 -0.166 0.000 0.952 634 K CB -0.063 32.323 32.500 -0.190 0.000 0.736 634 K HN 0.368 nan 8.250 nan 0.000 0.453 635 Q N 0.880 120.636 119.800 -0.074 0.000 2.119 635 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 635 Q C 1.683 177.704 176.000 0.034 0.000 0.972 635 Q CA 1.842 57.671 55.803 0.044 0.000 0.847 635 Q CB -0.360 28.431 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.123 122.708 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.050 179.673 177.584 0.065 0.000 1.175 636 A CA 1.341 53.400 52.037 0.037 0.000 0.628 636 A CB -1.019 18.000 19.000 0.031 0.000 0.814 636 A HN 0.624 nan 8.150 nan 0.000 0.444 637 F N -0.445 119.420 119.950 -0.142 0.000 2.039 637 F HA -0.164 4.363 4.527 -0.000 0.000 0.294 637 F C 1.926 177.689 175.800 -0.062 0.000 1.130 637 F CA 1.700 59.606 58.000 -0.156 0.000 1.189 637 F CB -0.275 38.547 39.000 -0.297 0.000 0.983 637 F HN 0.198 nan 8.300 nan 0.000 0.471 638 F N 1.655 121.361 119.950 -0.406 0.000 2.184 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 638 F C 2.308 177.921 175.800 -0.312 0.000 1.076 638 F CA 1.369 59.061 58.000 -0.513 0.000 1.295 638 F CB -1.356 37.508 39.000 -0.226 0.000 1.026 638 F HN 0.166 nan 8.300 nan 0.000 0.494 639 D N -0.368 120.043 120.400 0.019 0.000 2.178 639 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 639 D C 2.131 178.420 176.300 -0.019 0.000 0.974 639 D CA 1.062 55.069 54.000 0.011 0.000 0.841 639 D CB -0.228 40.590 40.800 0.030 0.000 0.953 639 D HN 0.442 nan 8.370 nan 0.000 0.478 640 Q N -0.046 119.731 119.800 -0.039 0.000 2.123 640 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 640 Q C 2.351 178.345 176.000 -0.010 0.000 0.958 640 Q CA 0.283 56.084 55.803 -0.003 0.000 0.841 640 Q CB 0.327 29.102 28.738 0.062 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.966 121.426 120.570 -0.183 0.000 2.315 641 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 641 I C 2.152 178.239 176.117 -0.050 0.000 1.125 641 I CA 1.748 62.902 61.300 -0.242 0.000 1.392 641 I CB -1.242 36.336 38.000 -0.703 0.000 1.065 641 I HN 0.328 nan 8.210 nan 0.000 0.424 642 G N 0.047 108.806 108.800 -0.069 0.000 2.484 642 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G C 1.718 176.629 174.900 0.018 0.000 1.130 642 G CA 1.006 46.093 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.227 115.939 115.700 0.019 0.000 2.541 643 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 643 S C 2.232 176.825 174.600 -0.012 0.000 1.025 643 S CA 0.281 58.484 58.200 0.004 0.000 0.917 643 S CB -0.574 62.619 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.150 121.043 121.223 -0.049 0.000 1.991 644 L HA -0.111 4.229 4.340 -0.000 0.000 0.221 644 L C 1.064 177.770 176.870 -0.273 0.000 1.079 644 L CA 1.483 56.175 54.840 -0.247 0.000 0.778 644 L CB -0.743 41.053 42.059 -0.438 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.811 123.116 121.300 0.008 0.000 2.175 645 W HA 0.274 4.934 4.660 -0.000 0.000 0.350 645 W C -1.971 174.540 176.519 -0.014 0.000 0.877 645 W CA -1.866 55.494 57.345 0.026 0.000 1.544 645 W CB -0.272 29.248 29.460 0.101 0.000 1.585 645 W HN 0.049 nan 8.180 nan 0.000 0.347 646 P HA 0.000 nan 4.420 nan 0.000 0.216 646 P CA 0.000 63.140 63.100 0.067 0.000 0.800 646 P CB 0.000 31.714 31.700 0.023 0.000 0.726