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_J 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 -1.598 113.114 114.554 0.263 0.000 2.700 44 T HA 0.674 5.024 4.350 -0.000 0.000 0.307 44 T C -0.358 174.523 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.457 70.432 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 -1.037 174.112 174.900 0.414 0.000 1.357 45 G CA -0.658 44.633 45.100 0.318 0.000 0.866 45 G HN 0.818 nan 8.290 nan 0.000 0.548 46 K N -0.282 120.367 120.400 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 0.522 0.000 1.010 46 K CA -0.380 56.119 56.287 0.355 0.000 0.940 46 K CB 1.569 34.120 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.616 122.092 121.223 0.422 0.000 2.350 47 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 47 L C -1.362 175.701 176.870 0.321 0.000 1.099 47 L CA -0.229 54.867 54.840 0.427 0.000 0.808 47 L CB 0.432 42.435 42.059 -0.094 0.000 1.149 47 L HN 0.461 nan 8.230 nan 0.000 0.442 48 W N 3.614 124.958 121.300 0.073 0.000 2.736 48 W HA 0.792 5.452 4.660 -0.000 0.000 0.355 48 W C -0.369 176.191 176.519 0.069 0.000 1.102 48 W CA -0.867 56.525 57.345 0.078 0.000 1.164 48 W CB 1.010 30.533 29.460 0.105 0.000 1.422 48 W HN 0.435 nan 8.180 nan 0.000 0.572 49 R N 0.511 121.188 120.500 0.294 0.000 2.707 49 R HA 0.401 4.741 4.340 -0.000 0.000 0.272 49 R C -2.712 173.705 176.300 0.196 0.000 1.011 49 R CA -2.069 54.149 56.100 0.196 0.000 0.893 49 R CB 2.007 32.342 30.300 0.059 0.000 1.233 49 R HN 0.036 nan 8.270 nan 0.000 0.464 50 P HA -0.043 nan 4.420 nan 0.000 0.262 50 P C -0.989 176.369 177.300 0.096 0.000 1.182 50 P CA 0.039 63.224 63.100 0.142 0.000 0.761 50 P CB 0.595 32.371 31.700 0.127 0.000 0.795 51 V N 3.767 123.733 119.914 0.087 0.000 2.487 51 V HA 0.794 4.914 4.120 -0.000 0.000 0.298 51 V C 0.165 176.288 176.094 0.048 0.000 1.028 51 V CA 0.711 63.049 62.300 0.063 0.000 0.860 51 V CB 0.727 32.591 31.823 0.068 0.000 0.991 51 V HN 0.944 nan 8.190 nan 0.000 0.427 52 G N 4.738 113.559 108.800 0.035 0.000 2.760 52 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.246 52 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.246 52 G C -0.175 174.740 174.900 0.025 0.000 1.359 52 G CA -0.278 44.838 45.100 0.027 0.000 0.861 52 G HN 1.171 nan 8.290 nan 0.000 0.541 53 T N 1.516 116.081 114.554 0.019 0.000 2.814 53 T HA 0.671 5.021 4.350 -0.000 0.000 0.297 53 T C 0.564 175.274 174.700 0.016 0.000 0.956 53 T CA 1.273 63.383 62.100 0.017 0.000 1.123 53 T CB 0.411 69.286 68.868 0.013 0.000 0.902 53 T HN 2.253 nan 8.240 nan 0.000 0.528 54 S N 1.367 117.077 115.700 0.017 0.000 2.580 54 S HA 0.085 4.555 4.470 -0.000 0.000 0.278 54 S C -0.742 173.868 174.600 0.017 0.000 0.876 54 S CA -0.887 57.322 58.200 0.014 0.000 1.160 54 S CB -0.180 63.027 63.200 0.012 0.000 1.453 54 S HN 0.722 nan 8.310 nan 0.000 0.447 55 V N 1.247 121.168 119.914 0.012 0.000 3.003 55 V HA 0.703 4.823 4.120 -0.000 0.000 0.305 55 V C 1.056 177.157 176.094 0.011 0.000 1.078 55 V CA 0.167 62.475 62.300 0.013 0.000 1.083 55 V CB 0.910 32.735 31.823 0.004 0.000 1.039 55 V HN 2.084 nan 8.190 nan 0.000 0.481 56 A N 4.435 127.266 122.820 0.018 0.000 2.511 56 A HA 0.574 4.894 4.320 -0.000 0.000 0.242 56 A C 0.308 177.859 177.584 -0.055 0.000 1.069 56 A CA 0.652 52.690 52.037 0.002 0.000 0.763 56 A CB -0.224 18.793 19.000 0.029 0.000 1.001 56 A HN 1.121 nan 8.150 nan 0.000 0.498 57 T N 1.028 115.535 114.554 -0.078 0.000 2.718 57 T HA 0.315 4.665 4.350 -0.000 0.000 0.306 57 T C -0.287 174.351 174.700 -0.102 0.000 1.485 57 T CA -0.643 61.405 62.100 -0.088 0.000 0.997 57 T CB 0.625 69.466 68.868 -0.046 0.000 1.504 57 T HN 0.465 nan 8.240 nan 0.000 0.497 58 I N 2.570 123.081 120.570 -0.098 0.000 2.268 58 I HA 0.247 4.417 4.170 -0.000 0.000 0.298 58 I C 0.601 176.690 176.117 -0.048 0.000 1.185 58 I CA 0.857 62.097 61.300 -0.099 0.000 1.548 58 I CB -0.385 37.555 38.000 -0.101 0.000 1.492 58 I HN 0.698 nan 8.210 nan 0.000 0.711 59 D N 0.954 121.342 120.400 -0.020 0.000 4.399 59 D HA -0.165 4.475 4.640 -0.000 0.000 0.147 59 D C 1.357 177.680 176.300 0.039 0.000 0.401 59 D CA 0.546 54.559 54.000 0.021 0.000 0.598 59 D CB -0.492 40.315 40.800 0.011 0.000 1.635 59 D HN 0.159 nan 8.370 nan 0.000 0.052 60 S N -0.123 115.591 115.700 0.023 0.000 2.383 60 S HA 0.160 4.630 4.470 -0.000 0.000 0.227 60 S C 1.112 175.763 174.600 0.086 0.000 1.026 60 S CA 0.430 58.655 58.200 0.041 0.000 0.981 60 S CB -0.090 63.124 63.200 0.024 0.000 0.818 60 S HN 0.296 nan 8.310 nan 0.000 0.472 61 L N 1.243 122.529 121.223 0.104 0.000 2.461 61 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 61 L C 0.004 177.063 176.870 0.315 0.000 1.197 61 L CA -0.443 54.528 54.840 0.219 0.000 0.836 61 L CB 0.492 42.667 42.059 0.194 0.000 1.105 61 L HN 0.215 nan 8.230 nan 0.000 0.477 62 A N 3.396 126.431 122.820 0.358 0.000 2.513 62 A HA 0.460 4.780 4.320 -0.000 0.000 0.296 62 A C -0.571 177.019 177.584 0.010 0.000 1.052 62 A CA -0.698 51.462 52.037 0.205 0.000 0.714 62 A CB 0.963 20.016 19.000 0.089 0.000 1.279 62 A HN 0.484 nan 8.150 nan 0.000 0.397 63 I N 2.774 123.072 120.570 -0.453 0.000 2.943 63 I HA -0.075 4.095 4.170 -0.000 0.000 0.296 63 I C 0.610 176.574 176.117 -0.255 0.000 1.220 63 I CA 0.550 61.422 61.300 -0.715 0.000 1.409 63 I CB 0.111 37.635 38.000 -0.794 0.000 1.374 63 I HN 0.359 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 1.080 177.203 176.094 0.048 0.000 1.314 64 V CA 0.333 62.625 62.300 -0.014 0.000 1.349 64 V CB -0.493 31.327 31.823 -0.006 0.000 1.428 64 V HN 0.839 nan 8.190 nan 0.000 0.495 65 S N 2.936 118.638 115.700 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 -0.174 58.041 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 -0.161 120.283 120.400 0.072 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.429 176.744 176.300 0.026 0.000 1.442 66 D CA -0.511 53.534 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 -0.325 120.154 120.500 -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 1.639 57.627 56.100 -0.188 0.000 1.007 67 R CB -0.656 29.464 30.300 -0.301 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.091 120.037 119.950 -0.007 0.000 2.704 68 F HA 0.397 4.924 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 0.657 58.620 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 0.414 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 -0.888 173.908 174.900 -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 -0.281 119.404 119.800 -0.191 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.108 174.750 176.000 -0.237 0.000 0.961 70 Q CA -0.578 55.119 55.803 -0.178 0.000 0.882 70 Q CB 1.649 30.327 28.738 -0.099 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.337 121.660 120.300 0.037 0.000 2.605 71 Y HA 0.035 4.585 4.550 -0.000 0.000 0.336 71 Y C 0.779 176.826 175.900 0.245 0.000 1.111 71 Y CA -0.064 58.104 58.100 0.113 0.000 1.422 71 Y CB 0.462 38.907 38.460 -0.025 0.000 1.193 71 Y HN 0.413 nan 8.280 nan 0.000 0.526 72 S N 4.439 120.361 115.700 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 0.776 64.110 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.253 123.403 119.950 0.334 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.080 175.655 175.800 -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 -0.156 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 1.918 119.924 118.700 -1.157 0.000 2.329 75 N HA -0.083 4.657 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 -0.065 52.561 53.050 -0.706 0.000 0.866 75 N CB 0.731 39.079 38.487 -0.231 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 2.117 58.421 56.400 -0.159 0.000 0.847 76 E CB -1.011 28.640 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.585 109.290 108.800 -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 1.574 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.820 45.824 45.100 -0.160 0.000 0.775 77 G HN 0.294 nan 8.290 nan 0.000 0.545 78 M N 0.827 120.250 119.600 -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 0.904 55.930 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 -0.440 119.850 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.360 177.561 176.300 -0.165 0.000 1.010 79 R CA 0.942 56.905 56.100 -0.227 0.000 1.008 79 R CB -0.010 30.204 30.300 -0.143 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.458 120.549 120.200 -0.183 0.000 2.110 80 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 80 E C 1.543 178.081 176.600 -0.105 0.000 0.988 80 E CA 2.049 58.374 56.400 -0.124 0.000 0.804 80 E CB -0.146 29.480 29.700 -0.123 0.000 0.745 80 E HN 0.337 nan 8.360 nan 0.000 0.458 81 T N -0.044 114.393 114.554 -0.194 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.705 176.444 174.700 0.066 0.000 1.053 81 T CA 1.282 63.308 62.100 -0.123 0.000 1.158 81 T CB -0.681 68.029 68.868 -0.264 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.185 121.129 119.950 -0.010 0.000 2.307 82 F HA -0.105 4.422 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 0.187 58.187 58.000 0.001 0.000 1.383 82 F CB -0.242 38.746 39.000 -0.020 0.000 1.055 82 F HN 0.187 nan 8.300 nan 0.000 0.526 83 S N 0.016 115.832 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.986 176.698 174.600 0.187 0.000 1.034 83 S CA 0.608 58.904 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 0.544 121.027 120.400 0.139 0.000 2.211 84 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 84 K C 2.004 178.745 176.600 0.235 0.000 1.050 84 K CA 0.957 57.345 56.287 0.169 0.000 0.945 84 K CB -0.210 32.340 32.500 0.084 0.000 0.732 84 K HN 0.374 nan 8.250 nan 0.000 0.451 85 A N 0.855 123.800 122.820 0.208 0.000 1.874 85 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 85 A C 1.979 179.673 177.584 0.184 0.000 1.189 85 A CA 0.832 52.980 52.037 0.185 0.000 0.615 85 A CB -0.438 18.667 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 2.473 179.461 176.870 0.198 0.000 1.085 86 L CA 1.356 56.304 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 1.667 121.679 119.950 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 60.094 58.000 0.086 0.000 1.255 87 F CB -0.285 38.747 39.000 0.054 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.216 120.211 120.400 0.045 0.000 2.350 88 D HA -0.116 4.524 4.640 -0.000 0.000 0.216 88 D C 1.984 178.370 176.300 0.144 0.000 0.968 88 D CA 1.167 55.175 54.000 0.014 0.000 0.894 88 D CB -0.164 40.734 40.800 0.164 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.389 120.283 120.570 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 0.334 0.000 1.115 89 I CA 0.017 61.516 61.300 0.332 0.000 1.446 89 I CB -0.250 37.900 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.376 120.160 118.700 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 0.063 0.000 1.017 90 N CA 1.540 54.651 53.050 0.101 0.000 0.859 90 N CB -0.386 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 0.644 176.868 176.300 -0.127 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 -0.422 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.421 121.758 121.300 0.063 0.000 3.468 92 W HA 0.011 4.671 4.660 -0.000 0.000 0.327 92 W C 1.883 178.419 176.519 0.028 0.000 1.259 92 W CA -0.360 56.987 57.345 0.004 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 2.211 122.163 119.800 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 1.997 57.952 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 0.909 178.052 177.300 -0.262 0.000 1.145 94 P CA 0.876 63.911 63.100 -0.109 0.000 0.795 94 P CB 0.124 31.749 31.700 -0.124 0.000 0.775 95 L N -2.409 118.571 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.116 178.397 176.870 -0.982 0.000 1.106 95 L CA 0.778 55.088 54.840 -0.884 0.000 0.851 95 L CB -1.277 40.056 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.160 119.545 119.950 -0.409 0.000 2.163 96 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 96 F C 2.478 178.187 175.800 -0.153 0.000 1.094 96 F CA 1.190 59.077 58.000 -0.188 0.000 1.290 96 F CB -0.418 38.606 39.000 0.041 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 1.365 57.175 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 2.182 54.117 52.037 -0.170 0.000 0.638 98 A CB -1.176 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 -4.556 109.801 114.554 -0.328 0.000 3.312 99 T HA 0.279 4.629 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 0.057 68.763 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.142 120.562 120.400 0.034 0.000 3.184 100 K HA -0.189 4.131 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 1.322 57.653 56.287 0.073 0.000 0.897 100 K CB -2.365 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 1.247 176.101 174.700 0.256 0.000 1.269 101 T CA 1.190 63.452 62.100 0.271 0.000 0.912 101 T CB 0.342 69.468 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 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G C 0.619 175.448 174.900 -0.118 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 1.088 176.032 174.990 -0.078 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.947 26.752 27.740 -0.069 0.000 2.094 103 C HN 3.161 nan 8.230 nan 0.000 0.423 104 G N 1.067 109.818 108.800 -0.082 0.000 2.612 104 G HA2 0.299 4.259 3.960 -0.000 0.000 0.686 104 G HA3 0.299 4.259 3.960 -0.000 0.000 0.686 104 G C -3.171 171.688 174.900 -0.068 0.000 1.274 104 G CA -0.406 44.664 45.100 -0.051 0.000 0.849 104 G HN 0.366 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.125 177.420 177.300 -0.009 0.000 1.230 105 P CA -0.330 62.767 63.100 -0.005 0.000 0.776 105 P CB 0.525 32.239 31.700 0.024 0.000 0.888 106 I N 2.966 123.545 120.570 0.015 0.000 2.294 106 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 106 I C -0.017 176.151 176.117 0.085 0.000 1.098 106 I CA -0.486 60.845 61.300 0.052 0.000 1.277 106 I CB 0.266 38.334 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.045 126.977 119.914 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 1.647 33.469 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.220 126.536 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.262 179.234 176.870 0.169 0.000 1.133 108 L CA 1.932 56.921 54.840 0.248 0.000 0.798 108 L CB -0.498 41.695 42.059 0.223 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.420 113.319 115.700 0.065 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.723 176.291 174.600 -0.054 0.000 0.958 109 S CA 0.462 58.675 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 -0.263 115.335 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.758 175.071 174.600 -0.478 0.000 0.997 110 S CA -0.487 57.492 58.200 -0.369 0.000 0.908 110 S CB -0.502 62.361 63.200 -0.561 0.000 0.803 110 S HN 0.441 nan 8.310 nan 0.000 0.504 111 F N 2.966 122.908 119.950 -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 0.160 58.145 58.000 -0.025 0.000 1.329 111 F CB -0.130 38.847 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 0.301 175.069 174.700 0.113 0.000 1.048 112 T CA 0.113 62.304 62.100 0.152 0.000 0.941 112 T CB 1.528 70.480 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.618 111.031 114.554 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 1.263 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 2.073 116.691 114.554 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 1.833 116.441 114.554 0.090 0.000 2.771 115 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 115 T C 0.281 174.969 174.700 -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 -0.352 174.129 174.600 -0.199 0.000 1.152 116 S CA -0.533 57.619 58.200 -0.081 0.000 0.910 116 S CB 1.828 64.998 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.774 109.451 108.800 -0.206 0.000 2.393 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.264 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.264 117 G C -2.402 172.281 174.900 -0.361 0.000 1.221 117 G CA -0.702 44.206 45.100 -0.320 0.000 0.912 117 G HN 0.571 nan 8.290 nan 0.000 0.483 118 Y N -0.439 119.891 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.291 176.243 175.900 0.088 0.000 1.036 118 Y CA -0.693 57.420 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 4.467 124.490 119.914 0.183 0.000 2.349 119 V HA 0.939 5.059 4.120 -0.000 0.000 0.284 119 V C -0.271 175.882 176.094 0.099 0.000 1.014 119 V CA 0.168 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 4.005 112.821 108.800 0.026 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 0.328 175.321 174.900 0.156 0.000 1.291 120 G CA 0.041 45.112 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 1.877 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 1.764 nan 8.150 nan 0.000 0.474 122 T N -5.512 108.942 114.554 -0.166 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.876 175.019 174.700 -0.927 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.311 0.000 1.044 122 T CB 1.152 70.009 68.868 -0.019 0.000 1.184 122 T HN 0.961 nan 8.240 nan 0.000 0.477 123 A N 2.894 125.094 122.820 -1.035 0.000 1.923 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 123 A C 2.404 179.728 177.584 -0.434 0.000 1.258 123 A CA 3.245 54.899 52.037 -0.638 0.000 0.670 123 A CB -1.881 17.076 19.000 -0.072 0.000 0.834 123 A HN 1.634 nan 8.150 nan 0.000 0.470 124 G N 0.154 108.791 108.800 -0.272 0.000 2.491 124 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 124 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 124 G C 1.146 175.911 174.900 -0.225 0.000 1.180 124 G CA 1.775 46.756 45.100 -0.199 0.000 0.774 124 G HN 0.859 nan 8.290 nan 0.000 0.562 125 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 2.241 178.388 176.300 -0.254 0.000 0.984 125 D CA 0.948 54.827 54.000 -0.201 0.000 0.873 125 D CB -0.178 40.539 40.800 -0.138 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.219 122.780 122.820 -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 -0.296 0.000 1.153 126 A CA 0.439 52.207 52.037 -0.449 0.000 0.692 126 A CB -0.610 17.778 19.000 -1.019 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N 0.003 121.012 121.223 -0.357 0.000 2.275 127 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 127 L C 0.056 176.747 176.870 -0.298 0.000 1.119 127 L CA 1.675 56.251 54.840 -0.440 0.000 0.790 127 L CB -0.546 41.286 42.059 -0.377 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.721 119.579 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.030 176.314 176.300 -0.026 0.000 1.183 128 D CA 0.179 54.129 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 1.293 120.009 118.700 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 52.267 53.050 0.034 0.000 0.871 129 N CB 1.400 39.876 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 -0.044 177.228 177.300 -0.047 0.000 1.207 130 P CA 0.288 63.462 63.100 0.124 0.000 0.780 130 P CB 0.987 32.830 31.700 0.239 0.000 0.789 131 V N 4.921 124.767 119.914 -0.114 0.000 2.459 131 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.300 175.757 176.094 -0.063 0.000 1.029 131 V CA -0.200 62.038 62.300 -0.104 0.000 0.874 131 V CB 1.999 33.698 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.053 120.586 114.554 -0.035 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.248 174.970 174.700 0.037 0.000 0.982 132 T CA -0.333 61.757 62.100 -0.016 0.000 0.978 132 T CB 0.473 69.324 68.868 -0.029 0.000 0.930 132 T HN 0.801 nan 8.240 nan 0.000 0.447 133 N N 1.699 120.438 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.594 176.200 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.789 37.730 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.669 108.295 108.800 0.273 0.000 2.653 134 G HA2 0.405 4.365 3.960 -0.000 0.000 0.265 134 G HA3 0.405 4.365 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.240 0.000 1.237 134 G CA -0.195 45.038 45.100 0.221 0.000 0.946 134 G HN 0.270 nan 8.290 nan 0.000 0.522 135 V N 0.653 120.610 119.914 0.071 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.102 174.944 176.094 -0.081 0.000 1.017 135 V CA -0.932 61.405 62.300 0.062 0.000 0.823 135 V CB -0.438 31.387 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.015 126.099 119.950 0.222 0.000 2.470 136 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 136 F C 0.101 176.035 175.800 0.224 0.000 1.072 136 F CA -0.866 57.292 58.000 0.264 0.000 0.989 136 F CB 2.005 41.215 39.000 0.349 0.000 1.193 136 F HN 0.385 nan 8.300 nan 0.000 0.481 137 I N 2.105 122.896 120.570 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 0.133 0.000 0.999 137 I CA -0.438 61.000 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 3.893 119.583 115.700 -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 -0.067 57.891 58.200 -0.403 0.000 1.018 138 S CB 1.282 64.101 63.200 -0.635 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.641 116.080 114.554 -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 1.637 63.687 62.100 -0.084 0.000 1.165 139 T CB -0.716 68.109 68.868 -0.072 0.000 0.863 139 T HN 0.624 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 2.373 178.497 176.094 0.051 0.000 1.088 140 V CA 1.746 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 -0.306 119.510 119.800 0.026 0.000 2.089 141 Q HA 0.098 4.438 4.340 -0.000 0.000 0.195 141 Q C 2.106 178.078 176.000 -0.047 0.000 0.963 141 Q CA 1.723 57.561 55.803 0.058 0.000 0.834 141 Q CB -0.312 28.476 28.738 0.082 0.000 0.906 141 Q HN 0.680 nan 8.270 nan 0.000 0.452 142 I N 0.456 120.983 120.570 -0.072 0.000 2.800 142 I HA -0.261 3.909 4.170 -0.000 0.000 0.266 142 I C 1.870 177.886 176.117 -0.168 0.000 1.249 142 I CA 0.543 61.762 61.300 -0.136 0.000 1.458 142 I CB -0.093 37.868 38.000 -0.065 0.000 1.093 142 I HN 0.167 nan 8.210 nan 0.000 0.466 143 M N -0.002 119.530 119.600 -0.115 0.000 2.325 143 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 143 M C 1.979 178.194 176.300 -0.143 0.000 1.094 143 M CA 1.505 56.743 55.300 -0.104 0.000 1.161 143 M CB -1.012 31.561 32.600 -0.045 0.000 1.358 143 M HN 0.190 nan 8.290 nan 0.000 0.446 144 N N 0.597 119.221 118.700 -0.127 0.000 2.109 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 144 N C 1.697 176.919 175.510 -0.478 0.000 1.034 144 N CA 0.881 53.852 53.050 -0.131 0.000 0.846 144 N CB -0.896 37.683 38.487 0.152 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.492 122.088 121.223 -1.046 0.000 2.270 145 L HA -0.180 4.160 4.340 -0.000 0.000 0.217 145 L C 2.155 178.580 176.870 -0.742 0.000 1.107 145 L CA 1.697 55.643 54.840 -1.490 0.000 0.772 145 L CB -0.391 40.849 42.059 -1.365 0.000 0.902 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.060 119.558 119.800 -0.502 0.000 1.990 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.195 146 Q C 2.374 178.239 176.000 -0.225 0.000 0.977 146 Q CA 1.383 56.989 55.803 -0.328 0.000 0.828 146 Q CB -0.250 28.344 28.738 -0.239 0.000 0.896 146 Q HN 0.478 nan 8.270 nan 0.000 0.447 147 R N -0.094 120.303 120.500 -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 0.679 115.155 114.554 -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 0.591 62.650 62.100 -0.069 0.000 1.147 148 T CB 0.036 68.900 68.868 -0.007 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.400 121.890 120.570 -0.133 0.000 2.399 149 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 149 I C 2.578 178.653 176.117 -0.070 0.000 1.146 149 I CA 0.898 62.143 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 0.222 nan 8.210 nan 0.000 0.432 150 A N 0.347 123.115 122.820 -0.087 0.000 1.855 150 A HA 0.006 4.326 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 1.243 53.237 52.037 -0.071 0.000 0.610 150 A CB -0.787 18.168 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 -0.179 4.141 4.320 -0.000 0.000 0.217 151 A C 2.219 179.773 177.584 -0.051 0.000 1.191 151 A CA 1.645 53.651 52.037 -0.052 0.000 0.623 151 A CB -0.516 18.462 19.000 -0.038 0.000 0.826 151 A HN 0.366 nan 8.150 nan 0.000 0.444 152 R N -1.608 118.874 120.500 -0.030 0.000 2.096 152 R HA -0.096 4.244 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 1.538 57.653 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 1.480 56.741 55.300 -0.065 0.000 1.102 153 M CB -0.514 32.060 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 1.671 177.748 176.300 -0.371 0.000 1.140 154 R CA 2.037 58.012 56.100 -0.208 0.000 0.928 154 R CB -0.525 29.681 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.257 120.419 120.400 -0.398 0.000 2.204 155 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 155 D C 1.813 177.241 176.300 -1.452 0.000 1.006 155 D CA 1.874 55.398 54.000 -0.794 0.000 0.855 155 D CB -0.708 39.854 40.800 -0.396 0.000 0.946 155 D HN 0.234 nan 8.370 nan 0.000 0.448 156 V N 0.975 120.311 119.914 -0.964 0.000 2.307 156 V HA -0.148 3.972 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 2.321 64.002 62.300 -1.032 0.000 1.024 156 V CB -0.654 30.682 31.823 -0.813 0.000 0.651 156 V HN 0.246 nan 8.190 nan 0.000 0.449 157 A N 0.062 122.592 122.820 -0.485 0.000 2.009 157 A HA -0.215 4.105 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 2.441 54.297 52.037 -0.302 0.000 0.651 157 A CB -0.581 18.296 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 1.387 56.014 54.840 -0.354 0.000 0.749 158 L CB -1.177 40.644 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.741 121.956 121.300 -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 0.901 58.293 57.345 0.078 0.000 1.269 159 W CB -1.383 27.918 29.460 -0.264 0.000 1.155 159 W HN 0.375 nan 8.180 nan 0.000 0.484 160 Q N 1.715 121.423 119.800 -0.153 0.000 2.325 160 Q HA -0.246 4.094 4.340 -0.000 0.000 0.211 160 Q C 2.042 178.162 176.000 0.200 0.000 0.988 160 Q CA 2.536 58.396 55.803 0.095 0.000 0.887 160 Q CB -0.314 28.402 28.738 -0.036 0.000 0.915 160 Q HN 0.575 nan 8.270 nan 0.000 0.440 161 K N -1.602 118.811 120.400 0.021 0.000 2.137 161 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 161 K C 1.740 178.300 176.600 -0.066 0.000 1.052 161 K CA 0.951 57.206 56.287 -0.054 0.000 0.961 161 K CB -0.357 32.029 32.500 -0.190 0.000 0.741 161 K HN 0.220 nan 8.250 nan 0.000 0.452 162 H N 0.895 120.007 119.070 0.070 0.000 2.357 162 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 162 H C 2.191 177.426 175.328 -0.155 0.000 1.082 162 H CA 1.467 57.486 56.048 -0.048 0.000 1.342 162 H CB -0.166 29.547 29.762 -0.081 0.000 1.389 162 H HN 0.198 nan 8.280 nan 0.000 0.511 163 L N 1.488 122.734 121.223 0.039 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 2.029 56.893 54.840 0.040 0.000 0.752 163 L CB -0.650 41.727 42.059 0.530 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.342 119.143 120.400 0.142 0.000 2.077 164 D HA -0.213 4.426 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 1.900 55.968 54.000 0.113 0.000 0.829 164 D CB -0.197 40.690 40.800 0.145 0.000 0.983 164 D HN 0.524 nan 8.370 nan 0.000 0.453 165 T N -2.075 112.495 114.554 0.026 0.000 2.896 165 T HA -0.147 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 1.544 63.650 62.100 0.011 0.000 1.115 165 T CB -0.414 68.459 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.064 122.867 122.820 -0.027 0.000 1.973 166 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 166 A C 2.155 179.712 177.584 -0.044 0.000 1.200 166 A CA 0.815 52.820 52.037 -0.053 0.000 0.707 166 A CB -0.453 18.490 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 2.630 57.817 55.300 -0.188 0.000 1.119 167 M CB -0.916 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 -1.433 113.117 114.554 -0.006 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.608 176.355 174.700 0.078 0.000 1.104 168 T CA 1.214 63.352 62.100 0.063 0.000 1.114 168 T CB -0.845 68.069 68.868 0.078 0.000 0.867 168 T HN 0.506 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 0.248 4.728 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 0.499 55.860 55.300 0.102 0.000 1.013 169 M CB -0.759 31.875 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 0.225 0.000 2.562 170 L HA 0.230 4.570 4.340 -0.000 0.000 0.307 170 L C -0.207 176.898 176.870 0.392 0.000 1.292 170 L CA -0.485 54.583 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 1.313 116.026 114.554 0.265 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.341 173.548 174.700 0.316 0.000 0.794 171 T CA 0.778 63.014 62.100 0.226 0.000 3.697 171 T CB -0.694 68.263 68.868 0.147 0.000 0.878 171 T HN 0.599 nan 8.240 nan 0.000 0.259 172 P HA 0.162 nan 4.420 nan 0.000 0.258 172 P C -0.337 177.107 177.300 0.240 0.000 1.403 172 P CA 0.296 63.543 63.100 0.246 0.000 0.826 172 P CB 0.463 32.263 31.700 0.168 0.000 1.414 173 D N 0.877 121.410 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.251 176.634 176.300 0.139 0.000 1.222 173 D CA -0.397 53.705 54.000 0.170 0.000 0.895 173 D CB 1.782 42.671 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.915 119.733 120.570 0.131 0.000 2.947 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.314 174 I C 0.527 176.686 176.117 0.070 0.000 1.028 174 I CA -0.711 60.649 61.300 0.099 0.000 1.077 174 I CB 2.107 40.179 38.000 0.120 0.000 1.274 174 I HN 0.149 nan 8.210 nan 0.000 0.485 175 S N 1.296 117.026 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.027 174.590 174.600 0.027 0.000 1.021 175 S CA 0.003 58.225 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 0.453 123.291 122.820 0.030 0.000 2.500 176 A HA 0.787 5.107 4.320 -0.000 0.000 0.288 176 A C 0.556 178.157 177.584 0.028 0.000 1.045 176 A CA -0.053 51.998 52.037 0.023 0.000 0.830 176 A CB 0.364 19.375 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 0.523 175.445 174.900 0.036 0.000 1.340 177 G CA 0.180 45.294 45.100 0.024 0.000 0.896 177 G HN 1.643 nan 8.290 nan 0.000 0.570 178 S N -1.165 114.559 115.700 0.041 0.000 2.589 178 S HA 0.967 5.437 4.470 -0.000 0.000 0.272 178 S C 0.346 174.999 174.600 0.089 0.000 1.096 178 S CA 0.848 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 1.091 123.971 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.267 177.394 177.584 0.128 0.000 0.940 179 A CA -0.422 51.710 52.037 0.159 0.000 0.663 179 A CB -0.644 18.510 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.695 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.364 174.863 174.600 -0.168 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.687 64.863 63.200 -0.039 0.000 1.159 180 S HN 2.413 nan 8.310 nan 0.000 0.534 181 C N 2.376 121.540 119.300 -0.227 0.000 3.212 181 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 181 C C -0.378 174.546 174.990 -0.111 0.000 0.979 181 C CA -0.696 58.176 59.018 -0.244 0.000 1.283 181 C CB -1.652 25.697 27.740 -0.651 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 -0.199 4.541 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 0.996 54.065 53.050 0.031 0.000 0.840 182 N CB 0.222 38.722 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.987 125.231 121.300 -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 1.427 58.717 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 0.343 120.719 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.054 178.541 176.600 -0.190 0.000 1.053 184 K CA 2.070 58.269 56.287 -0.147 0.000 0.959 184 K CB -1.256 31.226 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 -0.220 4.250 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 -0.602 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 2.191 178.877 176.870 -0.307 0.000 1.084 186 L CA 1.800 56.488 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.192 42.059 -0.288 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.240 119.613 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.234 176.870 -0.337 0.000 1.072 187 L CA 1.574 56.047 54.840 -0.613 0.000 0.749 187 L CB -0.767 40.787 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.854 121.819 122.820 -0.246 0.000 2.148 188 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 188 A C 2.021 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.938 53.901 52.037 -0.124 0.000 0.662 188 A CB -0.856 18.131 19.000 -0.020 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.386 120.091 119.950 -0.409 0.000 2.123 189 F HA 0.230 4.757 4.527 -0.000 0.000 0.289 189 F C 2.379 177.809 175.800 -0.617 0.000 1.099 189 F CA 1.092 58.608 58.000 -0.807 0.000 1.234 189 F CB -0.677 37.841 39.000 -0.803 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.409 122.842 122.820 -0.645 0.000 2.070 190 A HA -0.183 4.137 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 1.527 53.179 52.037 -0.642 0.000 0.656 190 A CB -0.911 17.910 19.000 -0.298 0.000 0.800 190 A HN 0.515 nan 8.150 nan 0.000 0.453 191 K N -0.462 119.714 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.824 177.273 176.600 -0.251 0.000 1.046 191 K CA 1.638 57.772 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 -0.144 120.034 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.892 176.300 -0.344 0.000 1.290 192 D CA 0.427 54.247 54.000 -0.300 0.000 0.994 192 D CB -0.277 40.346 40.800 -0.296 0.000 1.014 192 D HN -0.135 nan 8.370 nan 0.000 0.378 193 I N 1.135 121.384 120.570 -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 -1.302 36.334 38.000 -0.607 0.000 0.978 193 I HN 0.149 nan 8.210 nan 0.000 0.394 194 L N 3.798 124.860 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.727 175.072 176.870 -0.119 0.000 1.166 194 L CA -0.554 54.185 54.840 -0.168 0.000 0.969 194 L CB -0.850 41.105 42.059 -0.173 0.000 1.304 194 L HN 0.151 nan 8.230 nan 0.000 0.474 195 P HA -0.048 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 62.521 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 1.574 122.771 121.223 -0.043 0.000 2.671 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 196 L C 0.657 177.505 176.870 -0.037 0.000 1.178 196 L CA 1.805 56.619 54.840 -0.043 0.000 0.829 196 L CB -1.555 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 -2.004 118.383 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.992 177.278 176.300 -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 0.243 118.900 118.700 -0.071 0.000 2.199 198 N HA 0.165 4.905 4.740 -0.000 0.000 0.254 198 N C 0.521 175.685 175.510 -0.577 0.000 1.299 198 N CA 0.148 53.117 53.050 -0.134 0.000 0.940 198 N CB 0.482 38.922 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.010 119.933 121.223 -0.467 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.652 177.556 176.870 0.057 0.000 1.098 199 L CA 0.225 54.980 54.840 -0.143 0.000 1.557 199 L CB -1.116 40.926 42.059 -0.029 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.308 118.818 119.300 -0.289 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.122 177.088 174.990 -0.041 0.000 1.278 200 C CA 0.136 59.004 59.018 -0.250 0.000 1.708 200 C CB -0.655 26.870 27.740 -0.358 0.000 1.860 200 C HN 0.438 nan 8.230 nan 0.000 0.589 201 L N -0.470 120.720 121.223 -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 -0.507 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 -1.249 113.251 114.554 -0.090 0.000 3.043 202 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 202 T C 0.404 174.790 174.700 -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 -0.351 0.000 0.905 202 T HN 0.215 nan 8.240 nan 0.000 0.490 203 Y N -0.782 119.590 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.870 174.133 175.900 0.172 0.000 1.132 203 Y CA -2.354 55.812 58.100 0.110 0.000 1.142 203 Y CB 0.318 38.786 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 2.360 65.568 63.100 0.180 0.000 1.022 204 P CB -0.020 31.716 31.700 0.060 0.000 0.752 205 N N -1.760 117.063 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.469 176.085 175.510 0.176 0.000 1.511 205 N CA -0.273 52.925 53.050 0.248 0.000 1.097 205 N CB 0.521 39.124 38.487 0.193 0.000 1.395 205 N HN 0.074 nan 8.380 nan 0.000 0.511 206 E N -1.148 119.155 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.084 176.452 176.600 -0.106 0.000 0.898 206 E CA -0.005 56.404 56.400 0.014 0.000 1.422 206 E CB 0.152 29.871 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.869 119.135 119.950 0.090 0.000 2.500 207 F HA 0.146 4.673 4.527 -0.000 0.000 0.285 207 F C 1.682 177.539 175.800 0.094 0.000 1.088 207 F CA 0.378 58.442 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 0.082 nan 8.300 nan 0.000 0.582 208 Y N 1.771 122.193 120.300 0.204 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 1.952 60.121 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 -0.462 118.134 118.700 -0.173 0.000 2.244 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 209 N C 1.881 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.582 54.400 53.050 -0.386 0.000 0.866 209 N CB -0.148 38.213 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.807 121.489 119.914 -0.387 0.000 2.323 210 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 210 V C 2.612 178.429 176.094 -0.462 0.000 1.041 210 V CA 1.662 63.656 62.300 -0.511 0.000 1.025 210 V CB -0.923 30.572 31.823 -0.546 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.293 122.993 122.820 -0.200 0.000 1.859 211 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.036 0.000 1.198 211 A CA 2.286 54.352 52.037 0.048 0.000 0.629 211 A CB -0.807 18.288 19.000 0.158 0.000 0.830 211 A HN 0.470 nan 8.150 nan 0.000 0.446 212 I N -0.676 119.694 120.570 -0.332 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.887 177.947 176.117 -0.095 0.000 1.132 212 I CA 1.799 62.912 61.300 -0.313 0.000 1.397 212 I CB -0.408 37.284 38.000 -0.513 0.000 1.074 212 I HN 0.518 nan 8.210 nan 0.000 0.435 213 H N -0.927 118.038 119.070 -0.175 0.000 2.539 213 H HA 0.136 4.692 4.556 -0.000 0.000 0.267 213 H C 1.791 176.991 175.328 -0.212 0.000 0.982 213 H CA -0.101 55.845 56.048 -0.170 0.000 1.146 213 H CB 0.328 29.965 29.762 -0.207 0.000 1.382 213 H HN 0.280 nan 8.280 nan 0.000 0.577 214 R N -0.475 119.913 120.500 -0.186 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.664 175.145 176.300 -0.817 0.000 0.885 214 R CA 0.075 55.871 56.100 -0.507 0.000 1.018 214 R CB 0.815 30.703 30.300 -0.687 0.000 1.259 214 R HN 0.130 nan 8.270 nan 0.000 0.597 215 Y N 1.884 122.181 120.300 -0.005 0.000 2.555 215 Y HA 0.303 4.853 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 -2.838 55.268 58.100 0.010 0.000 1.298 215 Y CB 1.378 39.856 38.460 0.030 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 0.752 178.061 177.300 0.016 0.000 1.307 216 P CA 0.717 63.817 63.100 0.000 0.000 0.768 216 P CB 0.221 31.905 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 1.310 178.895 177.584 0.002 0.000 1.207 217 A CA 0.335 52.407 52.037 0.059 0.000 0.620 217 A CB -0.901 18.168 19.000 0.114 0.000 0.860 217 A HN 0.194 nan 8.150 nan 0.000 0.450 218 L N 1.751 122.989 121.223 0.024 0.000 2.485 218 L HA 0.180 4.520 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 0.106 54.903 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 5.288 125.582 120.400 -0.176 0.000 2.293 219 K HA 0.415 4.735 4.320 -0.000 0.000 0.267 219 K C -2.263 174.235 176.600 -0.170 0.000 1.010 219 K CA -1.754 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.122 33.542 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.032 nan 4.420 nan 0.000 0.271 220 P C -0.044 177.221 177.300 -0.059 0.000 1.216 220 P CA -0.357 62.703 63.100 -0.067 0.000 0.776 220 P CB 0.828 32.501 31.700 -0.047 0.000 0.881 221 G N 2.279 111.043 108.800 -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 3.212 121.911 118.700 -0.000 0.000 2.412 222 N HA 0.060 4.800 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 -1.675 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 -0.446 176.862 177.300 0.012 0.000 1.163 223 P CA 1.369 64.479 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 -1.649 118.756 120.400 0.009 0.000 3.139 224 D HA 0.194 4.834 4.640 -0.000 0.000 0.268 224 D C 0.521 176.824 176.300 0.006 0.000 1.322 224 D CA 0.416 54.420 54.000 0.007 0.000 0.940 224 D CB -0.288 40.515 40.800 0.006 0.000 1.050 224 D HN -0.018 nan 8.370 nan 0.000 0.503 225 T N -0.955 113.603 114.554 0.007 0.000 4.881 225 T HA -0.091 4.259 4.350 -0.000 0.000 0.309 225 T C 0.337 175.040 174.700 0.005 0.000 0.953 225 T CA -0.333 61.771 62.100 0.006 0.000 0.552 225 T CB -0.281 68.590 68.868 0.005 0.000 0.856 225 T HN 0.095 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 -0.690 175.911 176.600 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 -1.610 119.611 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.780 175.080 176.870 -0.016 0.000 1.015 227 L CA -2.444 52.392 54.840 -0.008 0.000 0.821 227 L CB 1.752 43.809 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 -0.433 176.857 177.300 -0.016 0.000 1.394 228 P CA 0.509 63.585 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 -4.608 115.782 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.763 177.063 176.300 -0.001 0.000 1.267 229 D CA 0.708 54.718 54.000 0.018 0.000 0.958 229 D CB 0.387 41.226 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.170 122.971 122.820 -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 1.475 53.489 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 0.826 120.577 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.120 175.844 176.000 -0.461 0.000 1.013 231 Q CA 0.774 56.460 55.803 -0.195 0.000 0.895 231 Q CB 0.600 29.299 28.738 -0.065 0.000 1.271 231 Q HN 1.496 nan 8.270 nan 0.000 0.460 232 A N 2.911 125.436 122.820 -0.491 0.000 2.318 232 A HA 0.473 4.793 4.320 -0.000 0.000 0.317 232 A C -0.855 176.374 177.584 -0.592 0.000 1.159 232 A CA -0.735 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.557 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 3.876 122.938 119.070 -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 -1.592 54.449 56.048 -0.013 0.000 1.279 233 H CB -0.206 29.546 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 1.264 178.585 177.300 0.034 0.000 1.253 234 P CA -0.666 62.458 63.100 0.039 0.000 0.800 234 P CB 2.009 33.705 31.700 -0.006 0.000 0.961 235 L N 2.419 123.648 121.223 0.010 0.000 2.211 235 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 235 L C 2.050 179.023 176.870 0.171 0.000 1.092 235 L CA 2.380 57.283 54.840 0.104 0.000 0.767 235 L CB -1.890 40.253 42.059 0.139 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.403 107.462 108.800 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 1.184 176.116 174.900 0.053 0.000 1.262 236 G CA 0.170 45.324 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.019 120.247 120.200 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 2.403 58.829 56.400 0.043 0.000 0.930 237 E CB -0.270 29.455 29.700 0.042 0.000 0.806 237 E HN 0.252 nan 8.360 nan 0.000 0.478 238 V N 0.222 120.180 119.914 0.074 0.000 2.255 238 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 238 V C 2.356 178.583 176.094 0.221 0.000 1.038 238 V CA 1.822 64.218 62.300 0.160 0.000 1.008 238 V CB -1.225 30.680 31.823 0.137 0.000 0.645 238 V HN 0.508 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 -1.459 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 -1.321 107.526 108.800 0.080 0.000 2.471 240 G HA2 0.099 4.059 3.960 -0.000 0.000 0.219 240 G HA3 0.099 4.059 3.960 -0.000 0.000 0.219 240 G C 1.565 176.481 174.900 0.026 0.000 1.125 240 G CA 1.306 46.433 45.100 0.045 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.372 123.205 122.820 0.022 0.000 1.898 241 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 241 A C 1.628 179.087 177.584 -0.209 0.000 1.183 241 A CA 0.471 52.443 52.037 -0.108 0.000 0.622 241 A CB -0.296 18.610 19.000 -0.158 0.000 0.824 241 A HN 0.259 nan 8.150 nan 0.000 0.444 242 F N 0.588 120.539 119.950 0.000 0.000 2.695 242 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 242 F C 1.347 177.150 175.800 0.005 0.000 1.182 242 F CA 0.199 58.200 58.000 0.001 0.000 1.412 242 F CB 0.140 39.139 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.308 118.456 118.700 0.106 0.000 2.211 243 N HA 0.189 4.929 4.740 -0.000 0.000 0.216 243 N C 0.705 176.241 175.510 0.043 0.000 1.240 243 N CA 0.191 53.291 53.050 0.083 0.000 0.895 243 N CB 0.215 38.747 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.205 124.031 122.820 0.011 0.000 2.561 244 A HA 0.385 4.705 4.320 -0.000 0.000 0.234 244 A C 0.640 178.226 177.584 0.003 0.000 1.055 244 A CA 0.159 52.195 52.037 -0.002 0.000 0.756 244 A CB 0.004 18.983 19.000 -0.035 0.000 0.986 244 A HN 0.252 nan 8.150 nan 0.000 0.505 245 A N 3.632 126.459 122.820 0.011 0.000 2.785 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 245 A C 0.983 178.568 177.584 0.001 0.000 1.597 245 A CA 0.309 52.354 52.037 0.013 0.000 1.283 245 A CB -1.378 17.632 19.000 0.018 0.000 1.088 245 A HN 1.363 nan 8.150 nan 0.000 0.568 246 T N 0.928 115.478 114.554 -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 62.230 62.100 -0.017 0.000 1.168 246 T CB 0.639 69.492 68.868 -0.026 0.000 0.911 246 T HN 1.046 nan 8.240 nan 0.000 0.535 247 S N 1.775 117.471 115.700 -0.007 0.000 2.440 247 S HA -0.187 4.283 4.470 -0.000 0.000 0.238 247 S C 1.456 176.056 174.600 -0.001 0.000 1.010 247 S CA 0.845 59.044 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 1.289 121.488 120.200 -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 1.066 57.466 56.400 0.000 0.000 0.803 248 E CB -0.193 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 -3.221 116.698 119.914 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 -0.478 61.830 62.300 0.013 0.000 0.880 249 V CB 1.003 32.837 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 0.685 175.598 174.900 0.022 0.000 0.963 250 G CA 1.638 46.749 45.100 0.017 0.000 0.865 250 G HN 2.042 nan 8.290 nan 0.000 1.379 251 S N -1.483 114.235 115.700 0.029 0.000 2.652 251 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 251 S C 1.043 175.673 174.600 0.051 0.000 1.172 251 S CA -0.140 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 4.299 125.565 121.223 0.073 0.000 2.013 252 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 252 L C 2.587 179.500 176.870 0.071 0.000 1.073 252 L CA 1.692 56.584 54.840 0.087 0.000 0.753 252 L CB -0.913 41.239 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.379 120.340 119.914 0.079 0.000 2.490 253 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 253 V C 2.170 178.289 176.094 0.041 0.000 1.061 253 V CA 2.064 64.399 62.300 0.058 0.000 1.064 253 V CB -0.444 31.418 31.823 0.064 0.000 0.670 253 V HN 0.502 nan 8.190 nan 0.000 0.461 254 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 1.144 46.263 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.148 116.864 115.700 0.027 0.000 2.428 255 S HA -0.274 4.196 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 2.453 60.667 58.200 0.023 0.000 1.009 255 S CB -0.819 62.396 63.200 0.024 0.000 0.803 255 S HN 0.749 nan 8.310 nan 0.000 0.486 256 S N 2.643 118.356 115.700 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 1.488 59.697 58.200 0.015 0.000 0.996 256 S CB -1.206 62.002 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.074 116.782 115.700 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 59.992 58.200 0.011 0.000 0.996 257 S CB -1.966 61.243 63.200 0.014 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.907 115.470 114.554 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 1.490 63.599 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 1.156 56.001 54.840 0.008 0.000 0.780 259 L CB -0.430 41.633 42.059 0.007 0.000 0.955 259 L HN 0.365 nan 8.230 nan 0.000 0.462 260 S N -0.666 115.036 115.700 0.004 0.000 2.400 260 S HA -0.295 4.175 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 1.443 59.644 58.200 0.001 0.000 0.993 260 S CB -0.419 62.781 63.200 -0.001 0.000 0.808 260 S HN 0.367 nan 8.310 nan 0.000 0.478 261 Q N 2.794 122.598 119.800 0.006 0.000 1.993 261 Q HA 0.071 4.411 4.340 -0.000 0.000 0.202 261 Q C 2.265 178.270 176.000 0.007 0.000 0.984 261 Q CA 2.392 58.200 55.803 0.008 0.000 0.837 261 Q CB -1.357 27.387 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 -0.159 4.161 4.320 -0.000 0.000 0.218 262 A C 2.281 179.867 177.584 0.004 0.000 1.181 262 A CA 1.697 53.739 52.037 0.008 0.000 0.627 262 A CB -0.911 18.095 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.094 120.477 120.570 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 1.373 62.673 61.300 -0.001 0.000 1.382 263 I CB -0.456 37.542 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.360 115.700 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 2.223 60.424 58.200 0.001 0.000 1.037 264 S CB -0.695 62.508 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.138 117.694 114.554 0.003 0.000 2.597 265 T HA -0.172 4.178 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 1.544 63.645 62.100 0.002 0.000 1.165 265 T CB -0.480 68.390 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.101 120.695 119.600 -0.010 0.000 2.116 266 M HA -0.143 4.337 4.480 -0.000 0.000 0.255 266 M C 2.595 178.886 176.300 -0.016 0.000 1.075 266 M CA 1.900 57.189 55.300 -0.018 0.000 1.087 266 M CB -1.434 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 -1.040 121.775 122.820 -0.009 0.000 1.943 267 A HA 0.275 4.595 4.320 -0.000 0.000 0.213 267 A C 2.179 179.761 177.584 -0.002 0.000 1.181 267 A CA 1.167 53.200 52.037 -0.007 0.000 0.653 267 A CB -1.075 17.922 19.000 -0.006 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.375 109.176 108.800 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 1.126 46.231 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.384 120.036 120.400 0.033 0.000 2.148 269 K HA -0.130 4.190 4.320 -0.000 0.000 0.213 269 K C 0.718 177.385 176.600 0.111 0.000 1.050 269 K CA 1.565 57.899 56.287 0.077 0.000 0.932 269 K CB -0.144 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 -2.908 117.533 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.075 176.414 176.300 0.066 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.236 39.580 40.800 0.028 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.593 121.770 121.223 -0.077 0.000 2.083 271 L HA 0.039 4.379 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 1.533 56.252 54.840 -0.202 0.000 0.752 271 L CB -0.915 41.051 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.022 120.358 120.400 -0.034 0.000 2.419 272 D HA 0.030 4.670 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.165 272 D CA 0.524 54.512 54.000 -0.019 0.000 0.882 272 D CB 0.402 41.191 40.800 -0.017 0.000 1.201 272 D HN 0.240 nan 8.370 nan 0.000 0.443 273 L N 1.985 123.209 121.223 0.002 0.000 4.351 273 L HA -0.238 4.102 4.340 -0.000 0.000 0.410 273 L C 0.489 177.391 176.870 0.053 0.000 1.150 273 L CA 0.911 55.758 54.840 0.011 0.000 0.961 273 L CB -2.141 39.911 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.293 120.906 120.570 0.072 0.000 2.493 274 I HA -0.163 4.007 4.170 -0.000 0.000 0.254 274 I C 1.510 177.718 176.117 0.151 0.000 1.160 274 I CA 2.157 63.551 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 1.070 121.315 120.200 0.076 0.000 2.995 275 E HA 0.333 4.683 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 56.085 56.400 0.066 0.000 1.172 275 E CB 0.461 30.184 29.700 0.039 0.000 1.088 275 E HN 0.484 nan 8.360 nan 0.000 0.463 276 A N 1.004 123.848 122.820 0.041 0.000 2.540 276 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 276 A C 0.247 177.846 177.584 0.026 0.000 1.061 276 A CA 0.259 52.309 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 1.738 122.149 120.400 0.019 0.000 2.564 277 D HA 0.391 5.031 4.640 -0.000 0.000 0.226 277 D C -0.176 176.135 176.300 0.018 0.000 1.149 277 D CA 0.799 54.812 54.000 0.021 0.000 0.994 277 D CB 0.100 40.912 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.290 114.276 114.554 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 -1.204 60.907 62.100 0.017 0.000 1.129 278 T CB 1.164 70.038 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 63.441 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 6.722 127.977 121.223 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 -2.517 52.347 54.840 0.039 0.000 0.836 280 L CB 2.364 44.420 42.059 -0.004 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 1.034 178.421 177.300 0.146 0.000 1.183 281 P CA -0.065 63.074 63.100 0.065 0.000 0.763 281 P CB 0.786 32.501 31.700 0.024 0.000 0.807 282 V N 2.767 122.774 119.914 0.155 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.329 178.560 176.094 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 30.396 31.823 0.072 0.000 0.664 282 V HN 0.735 nan 8.190 nan 0.000 0.461 283 S N 0.354 116.119 115.700 0.107 0.000 2.374 283 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 283 S C 1.839 176.456 174.600 0.028 0.000 1.037 283 S CA 1.792 60.028 58.200 0.059 0.000 1.024 283 S CB -0.941 62.274 63.200 0.025 0.000 0.861 283 S HN 0.384 nan 8.310 nan 0.000 0.456 284 V N 0.325 120.216 119.914 -0.037 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.382 177.243 176.094 -0.387 0.000 1.149 284 V CA 1.385 63.550 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 -0.372 119.508 119.950 -0.118 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.565 177.337 175.800 -0.047 0.000 1.092 285 F CA 0.336 58.246 58.000 -0.150 0.000 1.279 285 F CB -0.506 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 0.515 115.139 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.322 172.430 174.700 0.088 0.000 0.769 286 T CA -0.420 61.730 62.100 0.084 0.000 1.981 286 T CB -2.020 66.887 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 -0.137 177.180 177.300 0.029 0.000 1.242 287 P CA -0.047 63.083 63.100 0.050 0.000 0.768 287 P CB 0.972 32.686 31.700 0.023 0.000 0.820 288 S N 2.952 118.666 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.007 174.610 174.600 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 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.298 120.923 121.223 -0.003 0.000 3.833 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.447 289 L C 0.151 177.011 176.870 -0.016 0.000 1.213 289 L CA 1.376 56.211 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 1.280 nan 8.230 nan 0.000 0.883 290 A N 2.441 125.247 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.385 175.166 177.584 -0.056 0.000 1.143 290 A CA -0.438 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.251 19.235 19.000 -0.027 0.000 1.088 290 A HN 0.405 nan 8.150 nan 0.000 0.488 291 P HA 0.421 nan 4.420 nan 0.000 0.210 291 P C -0.632 176.578 177.300 -0.149 0.000 1.801 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.276 291 P CB 0.704 32.350 31.700 -0.090 0.000 1.572 292 R N 1.195 121.582 120.500 -0.188 0.000 2.539 292 R HA 0.536 4.876 4.340 -0.000 0.000 0.275 292 R C 0.801 176.783 176.300 -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 30.841 30.300 -0.187 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.450 116.847 115.700 -0.504 0.000 2.578 293 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 293 S C -0.861 173.377 174.600 -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 0.467 120.786 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.820 176.769 175.900 0.081 0.000 1.587 294 Y CA -1.346 56.809 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 0.739 121.461 120.500 0.369 0.000 2.714 295 R HA 0.210 4.550 4.340 -0.000 0.000 0.214 295 R C -3.146 173.245 176.300 0.152 0.000 1.474 295 R CA -1.171 55.061 56.100 0.220 0.000 1.435 295 R CB 0.769 31.231 30.300 0.271 0.000 1.517 295 R HN 0.380 nan 8.270 nan 0.000 0.748 296 P HA -0.046 nan 4.420 nan 0.000 0.281 296 P C 0.464 177.650 177.300 -0.189 0.000 1.274 296 P CA 0.592 63.680 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 -3.205 119.505 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.676 178.069 177.584 -0.320 0.000 1.293 297 A CA 1.688 53.561 52.037 -0.274 0.000 0.944 297 A CB -2.654 16.112 19.000 -0.389 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.135 117.789 119.950 -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 -0.366 57.609 58.000 -0.041 0.000 1.061 298 F CB -0.099 38.893 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.820 123.435 120.570 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 -0.038 37.817 38.000 -0.242 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.018 129.357 120.400 -0.101 0.000 2.436 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 300 K C -1.141 175.348 176.600 -0.185 0.000 0.999 300 K CA -1.013 55.206 56.287 -0.113 0.000 0.980 300 K CB 0.603 33.055 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 1.556 64.523 63.100 -0.222 0.000 0.837 301 P CB 0.158 31.748 31.700 -0.183 0.000 0.786 302 E N 0.112 120.226 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.831 177.363 176.600 -0.113 0.000 1.010 302 E CA 0.842 57.173 56.400 -0.115 0.000 0.856 302 E CB -0.830 28.820 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.141 121.464 120.400 -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 0.817 54.754 54.000 -0.105 0.000 0.879 303 D CB 0.686 41.432 40.800 -0.091 0.000 0.906 303 D HN 0.277 nan 8.370 nan 0.000 0.528 304 A N 0.647 123.339 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.993 178.347 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.670 19.429 19.000 -0.402 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.594 121.894 120.400 -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 2.247 58.467 56.287 -0.112 0.000 0.931 305 K CB -0.208 32.271 32.500 -0.035 0.000 0.718 305 K HN 1.012 nan 8.250 nan 0.000 0.465 306 W N 0.848 122.106 121.300 -0.071 0.000 3.435 306 W HA 0.269 4.929 4.660 -0.000 0.000 0.303 306 W C 0.020 176.501 176.519 -0.063 0.000 1.297 306 W CA -0.363 56.944 57.345 -0.062 0.000 1.638 306 W CB -0.971 28.452 29.460 -0.062 0.000 1.015 306 W HN -0.072 nan 8.180 nan 0.000 0.760 307 I N 1.425 121.742 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.749 175.176 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.637 38.082 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.588 128.280 122.820 -0.213 0.000 2.264 308 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 308 A C -0.541 176.802 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.951 19.799 19.000 -0.252 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 1.056 30.643 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 0.089 175.813 175.800 -0.127 0.000 1.190 310 F CA -0.713 57.177 58.000 -0.183 0.000 1.328 310 F CB -0.854 38.047 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.621 120.322 118.700 0.001 0.000 2.498 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 311 N C -0.574 174.938 175.510 0.003 0.000 1.208 311 N CA -0.431 52.616 53.050 -0.005 0.000 1.029 311 N CB -0.123 38.341 38.487 -0.038 0.000 1.403 311 N HN 0.342 nan 8.380 nan 0.000 0.500 312 N N 0.678 119.388 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.206 175.297 175.510 -0.011 0.000 1.140 312 N CA -0.759 52.292 53.050 0.001 0.000 0.788 312 N CB 1.784 40.273 38.487 0.004 0.000 1.361 312 N HN 0.158 nan 8.380 nan 0.000 0.489 313 S N 1.045 116.735 115.700 -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 60.011 58.200 -0.017 0.000 1.158 313 S CB -0.554 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 1.917 117.596 115.700 -0.036 0.000 2.546 314 S HA 0.483 4.953 4.470 -0.000 0.000 0.265 314 S C 0.286 174.845 174.600 -0.069 0.000 1.190 314 S CA -0.862 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 -0.264 120.906 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.208 176.599 176.870 -0.106 0.000 1.129 315 L CA -0.714 54.063 54.840 -0.105 0.000 0.803 315 L CB 0.082 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 0.915 121.406 120.570 -0.131 0.000 2.976 316 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 316 I C -0.155 175.883 176.117 -0.132 0.000 1.396 316 I CA -0.378 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.154 38.028 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.449 122.891 120.500 -0.098 0.000 2.446 317 R HA 0.161 4.501 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 0.161 56.217 56.100 -0.074 0.000 1.018 317 R CB 0.453 30.718 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 -0.654 175.944 176.600 -0.004 0.000 1.054 318 K CA -0.502 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.576 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 -0.901 173.827 174.700 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 -2.114 119.152 121.223 0.073 0.000 2.787 320 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 320 L C -1.349 175.593 176.870 0.120 0.000 0.921 320 L CA -0.941 53.955 54.840 0.094 0.000 0.984 320 L CB 1.469 43.596 42.059 0.113 0.000 1.519 320 L HN 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.425 118.030 114.554 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 0.425 62.562 62.100 0.061 0.000 1.081 321 T CB -0.451 68.426 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 0.096 0.000 2.402 322 Y HA 0.435 4.985 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 -1.043 57.157 58.100 0.166 0.000 1.228 322 Y CB 0.627 39.259 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 -0.474 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 1.471 59.402 58.200 -0.448 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 0.870 123.582 122.820 -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 1.881 53.711 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 1.279 nan 8.150 nan 0.000 0.511 326 T N 3.327 117.608 114.554 -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 -0.396 0.000 0.956 326 T CA 0.358 62.270 62.100 -0.314 0.000 0.987 326 T CB -0.048 68.736 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.979 121.331 120.300 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 1.123 39.646 38.460 0.106 0.000 1.277 327 Y HN 0.666 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 68.818 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.808 123.745 119.914 0.039 0.000 2.715 329 V HA 0.118 4.238 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 62.043 62.300 -0.003 0.000 1.077 329 V CB 1.518 33.320 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.904 121.676 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.522 176.445 176.000 -0.128 0.000 0.974 330 Q CA 0.376 56.135 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 0.626 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 0.739 177.534 176.870 -0.124 0.000 1.234 331 L CA 0.564 55.291 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 -0.506 174.359 174.900 -0.059 0.000 1.277 332 G CA 0.122 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 -0.278 108.528 108.800 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 -0.710 44.401 45.100 0.018 0.000 1.037 334 G HN 0.061 nan 8.290 nan 0.000 0.508 335 P HA 0.072 nan 4.420 nan 0.000 0.229 335 P C 0.273 177.597 177.300 0.040 0.000 1.160 335 P CA 1.346 64.456 63.100 0.017 0.000 0.777 335 P CB -0.007 31.690 31.700 -0.006 0.000 0.814 336 T N -1.247 113.324 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.117 174.605 174.700 0.037 0.000 0.789 336 T CA 0.006 62.132 62.100 0.044 0.000 2.526 336 T CB -2.072 66.847 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.114 121.591 120.500 -0.040 0.000 2.449 337 R HA 0.462 4.802 4.340 -0.000 0.000 0.296 337 R C 0.890 177.143 176.300 -0.078 0.000 1.047 337 R CA -0.411 55.627 56.100 -0.104 0.000 1.018 337 R CB 0.707 30.930 30.300 -0.129 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.726 120.570 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.412 176.508 176.094 0.003 0.000 1.054 338 V CA -1.247 61.040 62.300 -0.022 0.000 0.928 338 V CB 1.720 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 0.094 4.264 4.170 -0.000 0.000 0.285 339 I C 0.656 176.888 176.117 0.191 0.000 1.161 339 I CA 0.548 61.972 61.300 0.207 0.000 1.415 339 I CB 0.020 38.222 38.000 0.336 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.005 126.509 120.400 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 42.039 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.135 120.578 119.600 -0.261 0.000 2.429 341 M HA 0.029 4.508 4.480 -0.000 0.000 0.265 341 M C 0.429 176.521 176.300 -0.346 0.000 1.120 341 M CA 0.396 55.406 55.300 -0.483 0.000 1.173 341 M CB -0.751 31.603 32.600 -0.410 0.000 1.343 341 M HN 0.230 nan 8.290 nan 0.000 0.464 342 N N 1.382 119.986 118.700 -0.161 0.000 2.444 342 N HA 0.273 5.013 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 0.594 53.626 53.050 -0.029 0.000 0.933 342 N CB 0.463 38.931 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.069 123.924 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.179 177.811 177.584 0.081 0.000 1.455 343 A CA 0.469 52.556 52.037 0.084 0.000 0.730 343 A CB -1.415 17.644 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.881 120.528 119.600 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 0.111 55.430 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 1.182 nan 8.290 nan 0.000 0.661 345 I N 2.079 122.752 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.021 176.205 176.117 0.182 0.000 0.888 345 I CA 0.354 61.738 61.300 0.141 0.000 2.763 345 I CB -0.792 37.237 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.624 125.102 120.400 0.130 0.000 4.599 346 D HA -0.029 4.611 4.640 -0.000 0.000 0.245 346 D C 0.503 176.830 176.300 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 -0.061 174.562 174.600 0.040 0.000 1.080 347 S CA -0.996 57.239 58.200 0.059 0.000 0.953 347 S CB 1.293 64.514 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.577 121.489 119.914 -0.002 0.000 2.320 348 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 348 V C -0.972 175.082 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.889 62.300 -0.025 0.000 0.813 348 V CB 0.194 31.997 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 0.389 4.729 4.340 -0.000 0.000 0.274 349 L C 0.778 177.499 176.870 -0.250 0.000 1.135 349 L CA 0.996 55.727 54.840 -0.182 0.000 0.870 349 L CB 1.172 43.076 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 0.305 nan 8.240 nan 0.000 0.513 351 L N 5.806 126.862 121.223 -0.278 0.000 2.407 351 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 351 L C 0.184 176.955 176.870 -0.164 0.000 1.110 351 L CA -0.039 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 -1.094 175.192 176.300 -0.024 0.000 1.093 352 D CA -0.308 53.583 54.000 -0.182 0.000 0.882 352 D CB 1.641 42.212 40.800 -0.382 0.000 1.185 352 D HN 0.357 nan 8.370 nan 0.000 0.437 353 V N 3.762 123.725 119.914 0.081 0.000 2.276 353 V HA 0.272 4.392 4.120 -0.000 0.000 0.268 353 V C -0.130 176.070 176.094 0.176 0.000 1.032 353 V CA -0.574 61.762 62.300 0.060 0.000 0.810 353 V CB 0.387 32.247 31.823 0.062 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.842 117.613 115.700 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 65.345 63.200 0.149 0.000 1.081 354 S HN 1.875 nan 8.310 nan 0.000 0.476 355 G N 1.354 110.230 108.800 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 0.086 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.143 116.715 114.554 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 3.118 123.672 120.570 -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 8.497 129.761 121.223 0.070 0.000 2.490 358 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 358 L C -2.301 174.584 176.870 0.026 0.000 1.232 358 L CA -1.047 53.894 54.840 0.167 0.000 0.892 358 L CB 1.339 43.704 42.059 0.510 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.030 nan 4.420 nan 0.000 0.249 359 P C 0.617 178.044 177.300 0.211 0.000 1.686 359 P CA 0.190 63.353 63.100 0.105 0.000 0.873 359 P CB -0.883 30.856 31.700 0.065 0.000 1.828 360 Y N -0.172 120.173 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.672 177.595 175.900 0.039 0.000 1.151 360 Y CA -0.221 57.911 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 1.861 122.587 120.400 0.544 0.000 2.097 361 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 361 D C 1.586 177.942 176.300 0.094 0.000 0.984 361 D CA 1.995 56.119 54.000 0.206 0.000 0.826 361 D CB -0.636 40.307 40.800 0.238 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.062 115.680 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.157 175.889 174.700 0.053 0.000 1.071 362 T CA 0.333 62.471 62.100 0.063 0.000 1.559 362 T CB -1.212 67.691 68.868 0.058 0.000 1.141 362 T HN 0.247 nan 8.240 nan 0.000 0.417 363 N N 3.895 122.629 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.863 173.671 175.510 0.039 0.000 1.287 363 N CA -1.277 51.798 53.050 0.042 0.000 0.948 363 N CB 0.860 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 0.777 178.093 177.300 0.027 0.000 1.148 364 P CA 0.719 63.828 63.100 0.015 0.000 0.779 364 P CB 0.399 32.097 31.700 -0.003 0.000 0.780 365 D N 0.046 120.457 120.400 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 0.755 54.761 54.000 0.010 0.000 0.839 365 D CB -0.706 40.090 40.800 -0.008 0.000 0.948 365 D HN -0.010 nan 8.370 nan 0.000 0.460 366 L N 0.388 121.593 121.223 -0.030 0.000 2.017 366 L HA -0.021 4.319 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 1.001 55.772 54.840 -0.114 0.000 0.745 366 L CB -0.912 41.038 42.059 -0.182 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.683 114.118 115.700 0.169 0.000 2.576 367 S HA 0.172 4.642 4.470 -0.000 0.000 0.272 367 S C 1.023 175.726 174.600 0.173 0.000 1.352 367 S CA 0.681 59.026 58.200 0.241 0.000 1.021 367 S CB 0.300 63.604 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.515 115.177 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.183 174.991 174.700 0.180 0.000 2.080 368 T CA 1.398 63.590 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 1.293 nan 8.240 nan 0.000 0.911 369 S N 2.666 118.498 115.700 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 58.043 58.200 0.214 0.000 1.054 369 S CB 1.107 64.501 63.200 0.323 0.000 0.956 369 S HN 1.117 nan 8.310 nan 0.000 0.490 370 V N 1.784 121.663 119.914 -0.058 0.000 2.446 370 V HA 0.434 4.554 4.120 -0.000 0.000 0.276 370 V C -2.120 173.857 176.094 -0.194 0.000 1.030 370 V CA -1.974 60.256 62.300 -0.117 0.000 1.033 370 V CB -0.334 31.401 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.454 nan 4.420 nan 0.000 0.268 371 P C -0.377 176.789 177.300 -0.223 0.000 1.205 371 P CA 0.245 63.100 63.100 -0.408 0.000 0.771 371 P CB 1.390 32.855 31.700 -0.391 0.000 0.858 372 A N 3.388 126.093 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.360 176.197 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.121 0.000 0.710 372 A CB 0.633 19.488 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.029 122.923 119.950 -0.094 0.000 2.506 373 F HA 0.479 5.006 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 0.483 58.454 58.000 -0.048 0.000 1.195 373 F CB 1.088 40.076 39.000 -0.020 0.000 1.099 373 F HN 0.794 nan 8.300 nan 0.000 0.548 374 V N 7.329 126.878 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.243 174.590 176.094 -0.434 0.000 1.052 374 V CA -0.949 61.117 62.300 -0.389 0.000 0.885 374 V CB 1.568 33.263 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.797 126.883 121.223 -0.229 0.000 2.453 375 L HA 0.586 4.926 4.340 -0.000 0.000 0.261 375 L C -0.010 176.848 176.870 -0.020 0.000 1.179 375 L CA 0.292 55.066 54.840 -0.110 0.000 0.813 375 L CB 1.134 43.194 42.059 0.001 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.237 122.849 120.570 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 39.678 38.000 0.231 0.000 1.205 376 I HN 0.557 nan 8.210 nan 0.000 0.459 377 Q N 5.778 125.662 119.800 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 -0.336 55.550 55.803 0.139 0.000 0.936 377 Q CB 1.128 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 0.737 115.462 114.554 0.286 0.000 2.895 378 T HA 0.380 4.730 4.350 -0.000 0.000 0.283 378 T C 0.663 175.522 174.700 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 0.901 116.711 115.700 0.184 0.000 2.331 379 S HA 0.054 4.524 4.470 -0.000 0.000 0.208 379 S C 1.102 175.819 174.600 0.194 0.000 1.032 379 S CA 0.175 58.484 58.200 0.182 0.000 0.991 379 S CB -0.259 63.006 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.567 124.518 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.259 173.646 176.094 -0.314 0.000 1.065 380 V CA -1.544 60.714 62.300 -0.071 0.000 1.116 380 V CB 0.348 32.142 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.075 nan 4.420 nan 0.000 0.265 381 P C 0.213 177.270 177.300 -0.406 0.000 1.187 381 P CA 0.141 62.563 63.100 -1.131 0.000 0.766 381 P CB 0.410 31.574 31.700 -0.893 0.000 0.820 382 I N 2.115 122.531 120.570 -0.257 0.000 3.427 382 I HA -0.186 3.984 4.170 -0.000 0.000 0.272 382 I C 0.689 176.633 176.117 -0.288 0.000 1.285 382 I CA 0.392 61.473 61.300 -0.365 0.000 1.300 382 I CB 0.027 37.431 38.000 -0.995 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.170 121.813 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.183 176.110 176.000 -0.121 0.000 1.145 383 Q CA 1.116 56.815 55.803 -0.173 0.000 0.943 383 Q CB -1.169 27.463 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 1.469 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.142 384 Q C -1.067 174.903 176.000 -0.049 0.000 0.735 384 Q CA 0.458 56.215 55.803 -0.078 0.000 0.682 384 Q CB 0.781 29.454 28.738 -0.109 0.000 1.162 384 Q HN 0.283 nan 8.270 nan 0.000 0.341 385 V N 1.839 121.742 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.536 176.651 176.094 0.036 0.000 1.058 385 V CA 0.778 63.099 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 4.516 119.072 114.554 0.005 0.000 2.755 386 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 386 T C 0.780 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.471 63.566 62.100 -0.009 0.000 1.154 386 T CB -0.035 68.825 68.868 -0.013 0.000 0.866 386 T HN 0.881 nan 8.240 nan 0.000 0.416 387 T N -1.531 113.008 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.366 176.045 174.700 -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 70.591 68.868 -0.031 0.000 1.118 387 T HN 0.110 nan 8.240 nan 0.000 0.497 388 A N 1.616 124.406 122.820 -0.050 0.000 1.968 388 A HA -0.230 4.090 4.320 -0.000 0.000 0.227 388 A C 2.506 180.078 177.584 -0.020 0.000 1.381 388 A CA 3.140 55.150 52.037 -0.044 0.000 0.697 388 A CB -1.713 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.719 nan 8.150 nan 0.000 0.497 389 A N -1.295 121.519 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.423 177.584 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 18.195 19.000 0.001 0.000 0.787 389 A HN 0.795 nan 8.150 nan 0.000 0.465 390 N N -0.701 118.006 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.001 175.544 175.510 0.055 0.000 1.016 390 N CA 0.031 53.100 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 2.018 122.613 120.570 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 0.062 0.000 1.123 391 I CA -0.195 61.142 61.300 0.061 0.000 1.336 391 I CB 0.878 38.885 38.000 0.011 0.000 1.430 391 I HN 0.167 nan 8.210 nan 0.000 0.533 392 T N 5.084 119.689 114.554 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 1.862 64.005 62.100 0.072 0.000 1.190 392 T CB 0.066 68.984 68.868 0.084 0.000 0.864 392 T HN 0.768 nan 8.240 nan 0.000 0.413 393 A N -0.647 122.212 122.820 0.063 0.000 2.583 393 A HA 0.767 5.087 4.320 -0.000 0.000 0.289 393 A C -1.696 175.921 177.584 0.054 0.000 1.151 393 A CA -0.757 51.311 52.037 0.053 0.000 0.695 393 A CB 1.361 20.392 19.000 0.050 0.000 1.290 393 A HN 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.016 121.613 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.760 175.379 176.117 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 0.292 4.642 4.350 -0.000 0.000 0.284 395 T C 0.123 174.822 174.700 -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 1.522 177.604 176.094 -0.019 0.000 1.165 396 V CA 0.114 62.348 62.300 -0.110 0.000 1.088 396 V CB 0.464 32.068 31.823 -0.365 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.756 123.688 119.914 0.029 0.000 3.078 397 V HA 0.021 4.141 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 1.852 64.224 62.300 0.120 0.000 1.141 397 V CB 0.439 32.392 31.823 0.217 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.845 114.907 115.700 0.087 0.000 2.240 398 S HA 0.583 5.053 4.470 -0.000 0.000 0.234 398 S C -0.501 174.101 174.600 0.005 0.000 0.850 398 S CA -0.102 58.144 58.200 0.078 0.000 1.015 398 S CB 0.117 63.391 63.200 0.123 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.003 125.781 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.427 177.995 177.584 -0.027 0.000 1.097 399 A CA -0.138 51.811 52.037 -0.147 0.000 0.849 399 A CB 0.833 19.603 19.000 -0.384 0.000 1.142 399 A HN 1.581 nan 8.150 nan 0.000 0.499 400 A N 0.474 123.266 122.820 -0.048 0.000 2.256 400 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 400 A C 0.621 178.207 177.584 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 1.195 124.035 122.820 0.033 0.000 2.435 402 A HA 0.291 4.611 4.320 -0.000 0.000 0.686 402 A C 0.780 178.369 177.584 0.007 0.000 0.138 402 A CA 0.217 52.267 52.037 0.021 0.000 0.025 402 A CB -1.665 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 0.946 175.576 174.600 0.049 0.000 1.369 403 S CA 0.221 58.459 58.200 0.062 0.000 0.975 403 S CB 0.707 63.969 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.514 123.411 122.820 0.130 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 -0.485 51.645 52.037 0.154 0.000 1.363 404 A CB -1.398 17.855 19.000 0.421 0.000 1.139 404 A HN 1.115 nan 8.150 nan 0.000 0.598 405 I N 0.080 120.763 120.570 0.189 0.000 2.481 405 I HA 0.072 4.242 4.170 -0.000 0.000 0.304 405 I C -0.052 176.148 176.117 0.138 0.000 1.368 405 I CA 0.271 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 -0.575 118.145 118.700 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 0.074 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 1.710 122.828 121.223 -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 -0.336 0.000 0.861 407 L CB -0.552 41.158 42.059 -0.581 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.092 122.747 122.820 -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 -0.112 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.568 19.408 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.210 120.336 120.570 -0.039 0.000 2.785 409 I HA 0.120 4.290 4.170 -0.000 0.000 0.277 409 I C -1.270 174.863 176.117 0.026 0.000 1.591 409 I CA -0.405 60.899 61.300 0.008 0.000 1.150 409 I CB 0.682 38.684 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 0.319 5.059 4.740 -0.000 0.000 0.266 410 N C -0.371 175.166 175.510 0.045 0.000 1.209 410 N CA 0.045 53.130 53.050 0.060 0.000 0.929 410 N CB 1.006 39.540 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.815 124.754 119.914 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 61.942 62.300 0.037 0.000 1.302 411 V CB -1.070 30.775 31.823 0.037 0.000 1.496 411 V HN 0.902 nan 8.190 nan 0.000 0.628 412 R N 0.567 121.090 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.053 177.379 176.300 0.042 0.000 1.014 412 R CA 0.271 56.393 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 0.827 109.657 108.800 0.051 0.000 5.229 413 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.250 413 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.250 413 G C 0.204 175.149 174.900 0.075 0.000 1.380 413 G CA 0.450 45.587 45.100 0.060 0.000 0.933 413 G HN 0.453 nan 8.290 nan 0.000 0.731 414 Q N 3.267 123.103 119.800 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 0.049 0.000 1.276 414 Q CA -0.765 55.072 55.803 0.057 0.000 0.923 414 Q CB 0.401 29.166 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 -0.455 176.842 177.300 -0.005 0.000 1.209 415 P CA 0.245 63.335 63.100 -0.016 0.000 0.763 415 P CB 0.763 32.369 31.700 -0.157 0.000 0.816 416 R N 2.692 123.217 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.097 176.530 176.300 0.221 0.000 1.219 416 R CA -0.849 55.324 56.100 0.122 0.000 1.121 416 R CB 0.187 30.544 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.783 120.714 119.950 -0.031 0.000 2.404 417 F HA 0.264 4.791 4.527 -0.000 0.000 0.354 417 F C 0.885 176.676 175.800 -0.015 0.000 1.122 417 F CA -0.442 57.540 58.000 -0.029 0.000 1.080 417 F CB 1.000 39.989 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.280 123.971 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.241 175.770 175.510 0.033 0.000 1.286 418 N CA -0.273 52.770 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 4.909 124.544 119.600 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 56.355 55.300 0.076 0.000 1.001 419 M CB -0.952 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 3.947 125.232 121.223 0.102 0.000 2.409 420 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 420 L C -1.411 175.603 176.870 0.241 0.000 0.992 420 L CA -0.673 54.200 54.840 0.054 0.000 0.817 420 L CB 2.116 44.190 42.059 0.025 0.000 1.350 420 L HN 0.504 nan 8.230 nan 0.000 0.411 421 H N 3.364 122.434 119.070 -0.000 0.000 2.638 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.303 421 H C -0.718 174.597 175.328 -0.021 0.000 1.034 421 H CA -0.969 55.071 56.048 -0.014 0.000 1.225 421 H CB 1.208 30.954 29.762 -0.026 0.000 1.394 421 H HN 0.511 nan 8.280 nan 0.000 0.477 422 L N 2.657 123.933 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.152 177.006 176.870 -0.027 0.000 1.198 422 L CA -0.475 54.390 54.840 0.042 0.000 0.814 422 L CB 0.300 42.395 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.306 120.083 119.800 -0.039 0.000 2.613 423 Q HA 0.605 4.945 4.340 -0.000 0.000 0.231 423 Q C -1.780 174.182 176.000 -0.064 0.000 0.879 423 Q CA -0.622 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.871 29.572 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.750 124.495 122.820 -0.126 0.000 2.257 424 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 424 A C 0.051 177.651 177.584 0.026 0.000 1.201 424 A CA -0.237 51.824 52.037 0.040 0.000 0.863 424 A CB 1.179 20.301 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 -0.541 174.211 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.672 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 3.196 123.163 119.950 0.027 0.000 2.635 426 F HA 0.208 4.735 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 0.257 58.282 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 6.776 126.287 120.200 -1.148 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.839 176.851 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.832 0.000 0.782 427 E CB 1.524 31.001 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.842 121.909 120.500 -0.722 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.600 177.786 176.300 -0.191 0.000 1.085 428 R CA 2.797 58.717 56.100 -0.300 0.000 0.890 428 R CB -0.265 29.966 30.300 -0.115 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.054 120.043 120.200 -0.172 0.000 2.299 429 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 429 E C 1.496 178.045 176.600 -0.085 0.000 0.998 429 E CA 1.350 57.694 56.400 -0.093 0.000 0.851 429 E CB -0.229 29.429 29.700 -0.071 0.000 0.795 429 E HN 0.491 nan 8.360 nan 0.000 0.492 430 T N -0.433 114.039 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 430 T C 1.523 176.224 174.700 0.002 0.000 1.104 430 T CA 0.723 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 2.076 122.666 120.570 0.033 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.023 176.113 176.117 0.032 0.000 1.532 431 I CA -0.422 60.932 61.300 0.090 0.000 1.163 431 I CB -0.108 38.032 38.000 0.233 0.000 1.339 431 I HN 0.165 nan 8.210 nan 0.000 0.449 432 T N 0.699 115.254 114.554 0.002 0.000 2.930 432 T HA 0.302 4.652 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 1.422 70.280 68.868 -0.016 0.000 0.961 432 T HN 0.691 nan 8.240 nan 0.000 0.545 433 G N 2.979 111.757 108.800 -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 0.005 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 3.769 124.295 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.547 175.443 176.117 -0.213 0.000 1.225 434 I CA 0.327 61.566 61.300 -0.101 0.000 1.536 434 I CB 0.035 38.005 38.000 -0.049 0.000 1.561 434 I HN 0.211 nan 8.210 nan 0.000 0.666 435 P HA -0.146 nan 4.420 nan 0.000 0.216 435 P C -0.543 176.164 177.300 -0.989 0.000 1.153 435 P CA 1.595 64.233 63.100 -0.770 0.000 0.858 435 P CB 0.121 31.165 31.700 -1.093 0.000 0.789 436 Y N -1.088 119.172 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.040 175.778 175.900 -0.271 0.000 0.968 436 Y CA -1.233 56.772 58.100 -0.158 0.000 1.123 436 Y CB 1.513 40.009 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.315 123.529 120.570 -0.593 0.000 2.753 437 I HA 0.520 4.690 4.170 -0.000 0.000 0.291 437 I C -2.226 173.347 176.117 -0.907 0.000 1.425 437 I CA -0.708 60.315 61.300 -0.463 0.000 1.039 437 I CB 1.854 39.746 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.517 124.834 120.300 0.028 0.000 2.492 438 Y HA 0.669 5.219 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 2.829 111.684 108.800 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 -1.411 173.431 174.900 -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 2.724 123.669 121.223 -0.462 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 -0.320 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.194 0.000 0.836 440 L CB 2.042 44.077 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.228 111.053 108.800 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 0.276 114.811 114.554 -0.030 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.424 174.700 0.012 0.000 1.254 442 T CA -0.215 61.895 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 -0.629 119.297 119.950 -0.041 0.000 2.667 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.288 443 F C 0.422 176.181 175.800 -0.069 0.000 1.086 443 F CA -0.202 57.784 58.000 -0.024 0.000 1.297 443 F CB 0.445 39.447 39.000 0.004 0.000 1.059 443 F HN 0.335 nan 8.300 nan 0.000 0.624 444 L N 2.230 123.523 121.223 0.117 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.894 176.028 176.870 0.087 0.000 1.211 444 L CA -0.115 54.734 54.840 0.015 0.000 1.096 444 L CB -1.518 40.395 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.495 124.170 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.628 175.666 176.117 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 0.168 nan 8.210 nan 0.000 0.552 446 P HA -0.038 nan 4.420 nan 0.000 0.245 446 P C -0.217 177.174 177.300 0.152 0.000 1.212 446 P CA 0.528 63.850 63.100 0.371 0.000 0.774 446 P CB 0.240 32.150 31.700 0.348 0.000 0.999 447 S N -1.407 114.363 115.700 0.117 0.000 2.305 447 S HA 0.245 4.715 4.470 -0.000 0.000 0.208 447 S C -3.202 171.421 174.600 0.038 0.000 0.797 447 S CA -1.218 57.017 58.200 0.059 0.000 1.007 447 S CB 0.192 63.419 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 -0.313 176.979 177.300 -0.013 0.000 1.193 448 P CA 0.467 63.566 63.100 -0.003 0.000 0.765 448 P CB 0.795 32.487 31.700 -0.014 0.000 0.823 449 T N 1.122 115.662 114.554 -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 1.023 69.889 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.199 116.888 115.700 -0.019 0.000 2.399 450 S HA -0.128 4.342 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 1.526 59.717 58.200 -0.015 0.000 0.983 450 S CB -0.423 62.791 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 0.871 59.118 58.200 0.079 0.000 0.999 451 S CB -0.409 62.820 63.200 0.048 0.000 0.844 451 S HN 0.275 nan 8.310 nan 0.000 0.459 452 S N 2.442 118.137 115.700 -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 -0.257 0.000 2.197 453 N HA 0.210 4.950 4.740 -0.000 0.000 0.201 453 N C -0.378 174.533 175.510 -0.998 0.000 1.148 453 N CA 0.450 53.096 53.050 -0.673 0.000 0.883 453 N CB 0.429 38.359 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.220 118.714 119.950 -0.027 0.000 2.936 454 F HA 0.392 4.919 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 57.645 58.000 -0.023 0.000 1.104 454 F CB 0.150 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 0.129 115.874 115.700 0.076 0.000 2.327 455 S HA -0.063 4.407 4.470 -0.000 0.000 0.213 455 S C 0.457 175.051 174.600 -0.011 0.000 1.032 455 S CA 0.790 59.004 58.200 0.023 0.000 0.960 455 S CB -0.393 62.784 63.200 -0.037 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.919 119.594 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.857 172.636 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.110 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 0.083 177.519 177.300 0.226 0.000 1.461 457 P CA 0.373 63.511 63.100 0.062 0.000 0.809 457 P CB 0.010 31.732 31.700 0.038 0.000 1.503 458 T N 0.889 115.494 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 458 T C 1.081 175.795 174.700 0.023 0.000 0.942 458 T CA -0.192 61.936 62.100 0.046 0.000 1.161 458 T CB -0.310 68.552 68.868 -0.010 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.632 126.860 121.223 0.008 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.022 178.837 176.870 -0.092 0.000 1.150 459 L CA -0.226 54.562 54.840 -0.087 0.000 0.917 459 L CB -0.234 41.726 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.047 119.509 119.600 -0.073 0.000 2.446 460 M HA -0.142 4.338 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 1.050 56.302 55.300 -0.080 0.000 1.087 460 M CB -0.899 31.658 32.600 -0.072 0.000 1.406 460 M HN 0.343 nan 8.290 nan 0.000 0.459 461 D N -0.043 120.193 120.400 -0.274 0.000 2.351 461 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 461 D C 0.977 177.179 176.300 -0.162 0.000 0.968 461 D CA 0.534 54.307 54.000 -0.378 0.000 0.899 461 D CB -0.639 39.980 40.800 -0.303 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.296 109.025 108.800 -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 -0.384 174.500 174.900 -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 0.311 4.651 4.340 -0.000 0.000 0.277 463 L C 0.211 177.039 176.870 -0.070 0.000 1.184 463 L CA -0.827 54.004 54.840 -0.016 0.000 1.013 463 L CB -0.096 41.952 42.059 -0.020 0.000 1.318 463 L HN 0.437 nan 8.230 nan 0.000 0.435 464 L N 4.361 125.571 121.223 -0.022 0.000 2.416 464 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 464 L C -0.239 176.546 176.870 -0.142 0.000 1.161 464 L CA 0.760 55.566 54.840 -0.056 0.000 0.845 464 L CB 1.203 43.305 42.059 0.073 0.000 1.119 464 L HN 0.443 nan 8.230 nan 0.000 0.464 465 T N 5.465 119.895 114.554 -0.207 0.000 3.064 465 T HA 0.289 4.639 4.350 -0.000 0.000 0.367 465 T C -0.532 174.030 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.720 69.449 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.200 123.962 119.914 -0.254 0.000 2.614 466 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 466 V C 0.037 176.028 176.094 -0.172 0.000 1.049 466 V CA 0.078 62.269 62.300 -0.182 0.000 1.038 466 V CB 0.882 32.606 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.819 120.303 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.679 171.984 174.700 -0.061 0.000 1.048 467 T CA -1.731 60.314 62.100 -0.092 0.000 1.033 467 T CB 1.209 70.030 68.868 -0.078 0.000 1.010 467 T HN 0.720 nan 8.240 nan 0.000 0.469 468 P HA 0.004 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 63.033 63.100 -0.036 0.000 0.768 468 P CB 0.799 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 0.320 4.440 4.120 -0.000 0.000 0.267 469 V C -0.238 175.844 176.094 -0.020 0.000 1.266 469 V CA -0.268 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.836 30.975 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.273 126.487 121.223 -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 0.166 42.213 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.640 122.859 121.223 -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 2.721 57.559 54.840 -0.003 0.000 0.760 471 L CB -0.705 41.356 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 1.162 57.268 56.100 0.011 0.000 0.975 472 R CB -0.642 29.662 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.316 121.519 120.200 0.006 0.000 2.146 473 E HA 0.140 4.490 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 -0.266 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 -0.480 174.233 174.700 0.023 0.000 0.991 474 T CA -0.216 61.877 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 1.748 116.325 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.091 172.725 174.700 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 2.737 123.047 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.115 176.037 175.900 0.036 0.000 1.044 476 Y CA -1.398 56.714 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 3.851 123.931 120.400 -0.534 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 -0.149 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 -0.834 107.944 108.800 -0.036 0.000 2.201 478 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 478 G HA3 -0.244 3.716 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 0.306 45.421 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.433 119.793 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.004 176.643 176.600 0.078 0.000 0.933 479 E CA -0.613 55.821 56.400 0.057 0.000 0.809 479 E CB 2.361 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 2.777 122.732 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.138 175.991 176.094 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 3.067 123.015 119.914 0.056 0.000 3.119 481 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 481 V C 0.125 176.238 176.094 0.033 0.000 1.259 481 V CA -0.650 61.679 62.300 0.047 0.000 1.067 481 V CB 2.420 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 -0.001 120.418 120.400 0.031 0.000 2.500 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 482 D C 0.094 176.416 176.300 0.037 0.000 1.140 482 D CA 0.748 54.765 54.000 0.029 0.000 0.830 482 D CB 1.790 42.605 40.800 0.025 0.000 1.055 482 D HN 0.677 nan 8.370 nan 0.000 0.512 483 A N 0.745 123.588 122.820 0.038 0.000 2.549 483 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 483 A C -0.733 176.871 177.584 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 0.268 120.868 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.101 176.025 176.117 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 39.867 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.262 123.150 119.914 -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 3.213 66.354 63.100 0.068 0.000 1.075 486 P CB -0.230 31.550 31.700 0.134 0.000 0.715 487 A N -2.225 120.621 122.820 0.044 0.000 2.009 487 A HA -0.316 4.004 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 3.099 55.161 52.037 0.041 0.000 0.651 487 A CB -1.855 17.166 19.000 0.034 0.000 0.815 487 A HN 0.405 nan 8.150 nan 0.000 0.459 488 T N -0.603 113.968 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.678 176.424 174.700 0.077 0.000 1.040 488 T CA 1.568 63.701 62.100 0.056 0.000 1.141 488 T CB -0.317 68.587 68.868 0.060 0.000 0.868 488 T HN 0.229 nan 8.240 nan 0.000 0.444 489 V N 1.649 121.560 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.826 176.967 176.094 0.079 0.000 1.157 489 V CA 0.424 62.741 62.300 0.029 0.000 1.157 489 V CB -0.935 30.802 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.066 119.709 119.600 0.072 0.000 2.235 490 M HA 0.422 4.902 4.480 -0.000 0.000 0.351 490 M C 1.052 177.400 176.300 0.079 0.000 1.178 490 M CA -0.039 55.309 55.300 0.079 0.000 1.143 490 M CB -0.244 32.398 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.975 125.842 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.915 178.541 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.808 17.226 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.106 116.645 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.104 175.665 175.510 0.085 0.000 1.343 492 N CA 0.169 53.275 53.050 0.093 0.000 0.881 492 N CB 0.375 38.947 38.487 0.142 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.489 120.341 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.374 176.403 176.000 0.048 0.000 0.970 493 Q CA -0.260 55.587 55.803 0.072 0.000 0.919 493 Q CB 1.330 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 -3.254 111.320 114.554 0.033 0.000 2.922 494 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 494 T C 1.032 175.748 174.700 0.026 0.000 1.005 494 T CA -0.099 62.015 62.100 0.023 0.000 0.982 494 T CB 0.832 69.704 68.868 0.008 0.000 1.158 494 T HN 0.353 nan 8.240 nan 0.000 0.566 495 S N 1.027 116.739 115.700 0.019 0.000 2.407 495 S HA -0.226 4.244 4.470 -0.000 0.000 0.244 495 S C 1.773 176.388 174.600 0.024 0.000 1.077 495 S CA 2.180 60.392 58.200 0.020 0.000 1.159 495 S CB -0.596 62.611 63.200 0.011 0.000 1.045 495 S HN 0.939 nan 8.310 nan 0.000 0.438 496 E N 0.565 120.776 120.200 0.018 0.000 2.481 496 E HA 0.119 4.469 4.350 -0.000 0.000 0.198 496 E C 1.299 177.915 176.600 0.026 0.000 1.027 496 E CA 0.086 56.499 56.400 0.022 0.000 0.900 496 E CB -0.110 29.596 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 4.330 4.350 -0.000 0.000 0.198 497 E C 1.045 177.686 176.600 0.067 0.000 1.091 497 E CA 0.130 56.548 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 -0.314 119.642 119.914 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 1.077 63.426 62.300 0.083 0.000 1.194 498 V CB 0.024 31.887 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.707 122.164 122.820 0.084 0.000 2.125 499 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 499 A C 2.200 179.873 177.584 0.150 0.000 1.156 499 A CA 1.933 54.033 52.037 0.105 0.000 0.671 499 A CB -0.359 18.690 19.000 0.080 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.868 114.906 115.700 0.123 0.000 2.577 500 S HA 0.521 4.991 4.470 -0.000 0.000 0.219 500 S C 0.857 175.583 174.600 0.209 0.000 0.962 500 S CA 0.308 58.578 58.200 0.117 0.000 0.921 500 S CB -0.808 62.407 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 2.318 123.550 121.223 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 0.576 42.133 42.059 -0.837 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.707 127.511 122.820 -0.027 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 18.072 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.107 118.771 118.700 -0.060 0.000 2.765 504 N HA -0.141 4.599 4.740 -0.000 0.000 0.254 504 N C -0.874 174.596 175.510 -0.067 0.000 1.094 504 N CA 1.315 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.765 37.688 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.022 119.343 120.400 -0.059 0.000 2.490 505 D HA 0.683 5.323 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 0.169 nan 8.370 nan 0.000 0.483 506 A N 1.661 124.434 122.820 -0.078 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 2.658 54.534 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 -0.548 120.013 120.570 -0.015 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 0.577 120.484 119.914 -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 63.630 62.300 -0.018 0.000 1.101 508 V CB -0.432 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 -0.618 120.503 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 1.999 178.731 176.870 -0.231 0.000 1.078 509 L CA 0.713 55.371 54.840 -0.303 0.000 0.780 509 L CB -0.149 41.516 42.059 -0.658 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.416 118.375 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.936 178.084 176.094 0.089 0.000 1.244 510 V CA 1.087 63.385 62.300 -0.004 0.000 1.182 510 V CB 0.049 31.850 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.172 115.909 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.737 176.389 174.600 0.086 0.000 1.077 511 S CA 0.272 58.513 58.200 0.068 0.000 0.906 511 S CB 0.015 63.238 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 0.958 54.078 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 0.367 119.518 119.070 0.136 0.000 2.287 513 H HA 0.216 4.772 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 1.097 57.253 56.048 0.179 0.000 1.357 513 H CB -0.388 29.551 29.762 0.296 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.158 121.513 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.039 178.975 176.870 0.110 0.000 1.080 514 L CA 1.546 56.510 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 -0.235 118.497 118.700 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 0.965 54.016 53.050 0.002 0.000 0.862 515 N CB 0.044 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 0.528 120.944 120.400 0.025 0.000 2.007 516 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 516 K C 1.827 178.436 176.600 0.015 0.000 1.047 516 K CA 0.398 56.691 56.287 0.010 0.000 0.937 516 K CB -1.000 31.492 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.376 122.605 121.223 0.011 0.000 2.187 517 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 517 L C 1.944 178.933 176.870 0.197 0.000 1.100 517 L CA 1.729 56.610 54.840 0.068 0.000 0.765 517 L CB -0.822 41.269 42.059 0.053 0.000 0.904 517 L HN 0.075 nan 8.230 nan 0.000 0.437 518 A N -0.343 122.590 122.820 0.189 0.000 2.014 518 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 518 A C 1.828 179.454 177.584 0.070 0.000 1.163 518 A CA 1.276 53.393 52.037 0.133 0.000 0.652 518 A CB -0.380 18.513 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.489 118.238 118.700 0.045 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.488 177.020 175.510 0.036 0.000 1.066 519 N CA 0.825 53.892 53.050 0.029 0.000 0.895 519 N CB 0.341 38.837 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.101 121.041 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.505 178.626 176.094 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 31.303 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.096 120.055 119.914 0.074 0.000 2.270 521 V HA -0.037 4.083 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 -2.002 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 0.003 108.846 108.800 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 1.413 46.541 45.100 0.047 0.000 0.760 522 G HN 0.575 nan 8.290 nan 0.000 0.583 523 D N 0.338 120.757 120.400 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 1.438 124.272 122.820 0.024 0.000 1.835 524 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 524 A C 1.537 179.135 177.584 0.022 0.000 1.199 524 A CA 0.709 52.759 52.037 0.021 0.000 0.615 524 A CB -0.875 18.136 19.000 0.018 0.000 0.838 524 A HN 0.280 nan 8.150 nan 0.000 0.444 525 I N 1.281 121.867 120.570 0.027 0.000 2.754 525 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 525 I C -1.755 174.381 176.117 0.031 0.000 1.166 525 I CA -1.327 59.991 61.300 0.029 0.000 1.417 525 I CB 0.726 38.746 38.000 0.033 0.000 1.382 525 I HN 0.231 nan 8.210 nan 0.000 0.588 526 P HA 0.090 nan 4.420 nan 0.000 0.212 526 P C 0.373 177.693 177.300 0.034 0.000 1.816 526 P CA -0.059 63.057 63.100 0.027 0.000 0.944 526 P CB -0.041 31.670 31.700 0.018 0.000 1.896 527 V N -0.007 119.934 119.914 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 1.089 63.423 62.300 0.057 0.000 1.217 527 V CB -1.441 30.429 31.823 0.078 0.000 0.994 527 V HN 0.401 nan 8.190 nan 0.000 0.446 528 A N 0.213 123.056 122.820 0.038 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 52.373 52.037 0.031 0.000 1.045 528 A CB 0.296 19.312 19.000 0.027 0.000 1.174 528 A HN 0.548 nan 8.150 nan 0.000 0.493 529 S N -1.402 114.312 115.700 0.023 0.000 2.611 529 S HA 0.463 4.933 4.470 -0.000 0.000 0.268 529 S C -0.200 174.408 174.600 0.013 0.000 1.156 529 S CA -0.914 57.295 58.200 0.015 0.000 0.817 529 S CB 0.786 63.991 63.200 0.009 0.000 1.122 529 S HN 0.276 nan 8.310 nan 0.000 0.466 530 R N 1.072 121.574 120.500 0.004 0.000 2.858 530 R HA 0.096 4.436 4.340 -0.000 0.000 0.228 530 R C 0.901 177.188 176.300 -0.022 0.000 1.471 530 R CA 0.763 56.861 56.100 -0.003 0.000 1.342 530 R CB -0.937 29.358 30.300 -0.008 0.000 1.152 530 R HN 0.816 nan 8.270 nan 0.000 0.521 531 T N -2.475 112.069 114.554 -0.016 0.000 3.278 531 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 531 T C 0.222 174.896 174.700 -0.044 0.000 1.039 531 T CA -0.513 61.566 62.100 -0.034 0.000 0.935 531 T CB -0.086 68.771 68.868 -0.019 0.000 1.034 531 T HN 0.133 nan 8.240 nan 0.000 0.575 532 D N 3.543 123.921 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.102 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.195 39.469 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.698 118.726 120.400 0.040 0.000 2.319 533 D HA -0.014 4.626 4.640 -0.000 0.000 0.235 533 D C 1.431 177.773 176.300 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 -0.153 115.577 115.700 0.050 0.000 2.402 534 S HA -0.263 4.207 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 0.937 59.167 58.200 0.050 0.000 1.003 534 S CB -0.984 62.233 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.390 125.235 122.820 0.042 0.000 1.832 535 A HA -0.019 4.301 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 2.247 54.299 52.037 0.024 0.000 0.610 535 A CB -1.832 17.186 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.613 111.986 114.554 0.076 0.000 3.077 536 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 536 T C 1.743 176.532 174.700 0.147 0.000 1.146 536 T CA 1.905 64.067 62.100 0.103 0.000 1.091 536 T CB -0.307 68.645 68.868 0.141 0.000 0.892 536 T HN 0.325 nan 8.240 nan 0.000 0.533 537 S N 0.034 115.835 115.700 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 1.619 124.449 122.820 0.016 0.000 1.902 538 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 538 A C 2.000 179.543 177.584 -0.068 0.000 1.181 538 A CA 1.440 53.459 52.037 -0.029 0.000 0.623 538 A CB -0.740 18.241 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 3.988 4.170 -0.000 0.000 0.245 539 I C 2.327 178.359 176.117 -0.141 0.000 1.102 539 I CA 0.870 62.120 61.300 -0.084 0.000 1.385 539 I CB -0.364 37.602 38.000 -0.056 0.000 1.064 539 I HN 0.133 nan 8.210 nan 0.000 0.414 540 V N 1.210 120.989 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.676 178.524 176.094 -0.409 0.000 1.060 540 V CA 2.443 64.474 62.300 -0.448 0.000 1.042 540 V CB -0.747 30.454 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.299 115.214 115.700 -0.312 0.000 2.423 541 S HA -0.166 4.304 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 0.750 58.819 58.200 -0.218 0.000 0.965 541 S CB -0.323 62.794 63.200 -0.139 0.000 0.785 541 S HN 0.471 nan 8.310 nan 0.000 0.495 542 R N 1.378 121.810 120.500 -0.114 0.000 2.062 542 R HA 0.236 4.576 4.340 -0.000 0.000 0.229 542 R C 2.406 178.674 176.300 -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 0.528 121.706 121.223 -0.075 0.000 2.043 543 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 543 L C 2.628 179.497 176.870 -0.000 0.000 1.075 543 L CA 1.564 56.379 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 -0.041 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.281 179.916 177.584 0.084 0.000 1.203 544 A CA 1.879 53.945 52.037 0.048 0.000 0.614 544 A CB -1.115 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 2.442 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 -0.230 119.594 119.800 0.040 0.000 2.013 546 Q HA -0.185 4.155 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.404 176.000 0.063 0.000 0.974 546 Q CA 1.660 57.487 55.803 0.039 0.000 0.826 546 Q CB -0.545 28.211 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.507 119.574 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.684 177.012 175.328 -0.001 0.000 1.051 547 H CA 1.157 57.202 56.048 -0.005 0.000 1.280 547 H CB 0.395 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 1.044 121.525 120.400 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 0.835 57.174 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 -0.407 120.804 121.223 -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 1.658 56.480 54.840 -0.030 0.000 0.820 549 L CB -1.104 40.947 42.059 -0.014 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.258 114.385 115.700 -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 58.995 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 0.921 120.608 119.800 -0.187 0.000 2.376 551 Q HA 0.345 4.685 4.340 -0.000 0.000 0.206 551 Q C 0.298 176.246 176.000 -0.087 0.000 0.921 551 Q CA 0.078 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.005 28.599 28.738 -0.224 0.000 1.032 551 Q HN 0.427 nan 8.270 nan 0.000 0.510 552 V N 1.104 120.980 119.914 -0.064 0.000 2.763 552 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 552 V C 0.516 176.590 176.094 -0.033 0.000 1.059 552 V CA 0.815 63.093 62.300 -0.036 0.000 1.138 552 V CB 0.321 32.129 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 -0.543 174.342 174.900 -0.024 0.000 0.911 553 G CA 0.564 45.651 45.100 -0.020 0.000 0.797 553 G HN 1.506 nan 8.290 nan 0.000 0.503 554 Q N 0.109 119.897 119.800 -0.019 0.000 3.232 554 Q HA 0.142 4.482 4.340 -0.000 0.000 0.030 554 Q C 1.321 177.310 176.000 -0.020 0.000 1.707 554 Q CA 0.743 56.534 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.694 28.738 -0.024 0.000 0.635 554 Q HN 2.652 nan 8.270 nan 0.000 0.323 555 A N 2.475 125.286 122.820 -0.015 0.000 2.254 555 A HA -0.295 4.025 4.320 -0.000 0.000 0.224 555 A C 1.066 178.641 177.584 -0.014 0.000 1.184 555 A CA 2.655 54.684 52.037 -0.013 0.000 0.688 555 A CB -1.310 17.683 19.000 -0.011 0.000 0.821 555 A HN 2.206 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 -0.516 174.075 174.600 -0.015 0.000 0.989 556 S CA 0.828 59.014 58.200 -0.024 0.000 1.183 556 S CB -2.142 61.047 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 0.066 177.364 177.300 -0.004 0.000 1.151 557 P CA 0.886 63.981 63.100 -0.008 0.000 0.770 557 P CB -0.264 31.431 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 1.229 70.120 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 61.818 63.100 -0.018 0.000 0.765 559 P CB -0.240 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 -0.796 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 1.204 121.166 120.400 -0.729 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.765 176.797 176.300 -0.446 0.000 0.983 561 D CA 1.103 54.821 54.000 -0.470 0.000 0.889 561 D CB -0.055 40.598 40.800 -0.244 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 -1.529 174.498 175.900 0.211 0.000 1.306 562 Y CA 0.341 58.456 58.100 0.024 0.000 2.486 562 Y CB -1.958 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 2.013 65.272 63.100 0.266 0.000 0.837 563 P CB -0.089 31.698 31.700 0.145 0.000 0.786 564 L N -1.679 119.615 121.223 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 1.101 55.977 54.840 0.061 0.000 0.779 564 L CB -0.461 41.599 42.059 0.001 0.000 0.922 564 L HN -0.136 nan 8.230 nan 0.000 0.443 565 L N -1.614 119.634 121.223 0.042 0.000 2.095 565 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 565 L C 2.326 179.178 176.870 -0.030 0.000 1.080 565 L CA 1.521 56.341 54.840 -0.035 0.000 0.759 565 L CB -0.909 41.104 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 2.925 179.456 176.519 0.020 0.000 1.213 566 W CA 1.267 58.627 57.345 0.026 0.000 1.274 566 W CB -0.244 29.230 29.460 0.023 0.000 1.148 566 W HN 0.073 nan 8.180 nan 0.000 0.498 567 R N 0.895 121.549 120.500 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 1.497 57.688 56.100 0.153 0.000 0.976 567 R CB -0.365 30.003 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 0.073 0.000 2.090 568 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 568 R C 1.872 178.196 176.300 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 0.276 nan 8.270 nan 0.000 0.440 569 A N 0.640 123.480 122.820 0.032 0.000 2.067 569 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 569 A C 1.942 179.567 177.584 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 1.686 58.041 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 -0.458 120.087 120.500 0.075 0.000 2.193 571 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 571 R C 1.988 178.331 176.300 0.073 0.000 1.055 571 R CA 0.998 57.138 56.100 0.067 0.000 0.995 571 R CB -0.303 30.030 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.844 124.705 122.820 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 1.378 53.459 52.037 0.075 0.000 0.613 572 A CB -0.801 18.227 19.000 0.047 0.000 0.829 572 A HN 0.485 nan 8.150 nan 0.000 0.442 573 A N -0.918 121.957 122.820 0.091 0.000 1.969 573 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 573 A C 2.464 180.149 177.584 0.169 0.000 1.169 573 A CA 2.139 54.242 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 -0.958 114.817 115.700 0.124 0.000 2.357 574 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 574 S C 2.090 176.752 174.600 0.103 0.000 1.031 574 S CA 1.558 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 -0.166 119.495 119.600 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 1.463 56.810 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 0.110 120.073 119.950 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 1.762 59.774 58.000 0.020 0.000 1.193 576 F CB -0.697 38.314 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.009 119.993 119.914 0.117 0.000 2.370 577 V HA -0.371 3.749 4.120 -0.000 0.000 0.252 577 V C 2.648 178.672 176.094 -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 0.301 115.959 115.700 -0.069 0.000 2.380 578 S HA -0.193 4.277 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 1.947 60.108 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 -2.244 173.119 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.468 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 -0.287 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 1.103 63.817 63.100 -0.644 0.000 0.880 580 P CB 0.256 31.670 31.700 -0.477 0.000 0.790 581 S N -0.943 114.683 115.700 -0.124 0.000 2.369 581 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 581 S C 1.889 176.496 174.600 0.012 0.000 1.043 581 S CA 1.573 59.758 58.200 -0.026 0.000 1.074 581 S CB -1.237 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 1.120 122.344 121.223 0.003 0.000 2.166 582 L HA -0.319 4.021 4.340 -0.000 0.000 0.228 582 L C 2.578 179.493 176.870 0.074 0.000 1.101 582 L CA 1.703 56.565 54.840 0.036 0.000 0.821 582 L CB -1.000 41.078 42.059 0.032 0.000 0.908 582 L HN 0.553 nan 8.230 nan 0.000 0.447 583 A N -0.911 121.978 122.820 0.116 0.000 2.292 583 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 583 A C 1.931 179.586 177.584 0.117 0.000 1.209 583 A CA 1.072 53.202 52.037 0.154 0.000 0.746 583 A CB -0.507 18.656 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 0.482 177.398 176.870 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 0.083 0.000 1.151 584 L HN 0.380 nan 8.230 nan 0.000 0.495 585 Q N 1.471 121.310 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.409 175.620 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.425 55.803 0.053 0.000 0.919 585 Q CB 2.099 30.863 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.407 122.346 119.914 0.043 0.000 2.493 586 V HA 0.256 4.376 4.120 -0.000 0.000 0.292 586 V C 1.211 177.323 176.094 0.031 0.000 1.016 586 V CA 1.146 63.468 62.300 0.037 0.000 1.097 586 V CB 0.134 31.975 31.823 0.031 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.916 113.734 108.800 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 -0.414 174.504 174.900 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 2.170 122.762 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.819 174.322 176.117 0.041 0.000 0.999 588 I CA -3.085 58.240 61.300 0.041 0.000 1.163 588 I CB 1.294 39.325 38.000 0.052 0.000 1.316 588 I HN -0.040 nan 8.210 nan 0.000 0.454 589 P HA 0.056 nan 4.420 nan 0.000 0.260 589 P C 0.855 178.177 177.300 0.036 0.000 1.172 589 P CA 0.492 63.612 63.100 0.033 0.000 0.760 589 P CB 1.152 32.871 31.700 0.031 0.000 0.773 590 V N 2.773 122.705 119.914 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 1.936 64.251 62.300 0.024 0.000 3.223 590 V CB -2.244 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 0.860 122.109 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 591 L C 2.244 179.146 176.870 0.054 0.000 1.096 591 L CA 2.977 57.853 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 -4.092 110.492 114.554 0.051 0.000 3.144 592 T HA 0.083 4.433 4.350 -0.000 0.000 0.249 592 T C 0.679 175.400 174.700 0.035 0.000 1.089 592 T CA -0.210 61.919 62.100 0.049 0.000 0.989 592 T CB 0.027 68.926 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.554 121.369 119.800 0.025 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 0.490 nan 8.270 nan 0.000 0.439 594 S N 1.317 117.025 115.700 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 1.250 59.457 58.200 0.011 0.000 1.026 594 S CB -0.761 62.447 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.795 111.591 108.800 -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 1.078 46.168 45.100 -0.017 0.000 0.804 595 G HN 0.432 nan 8.290 nan 0.000 0.579 596 M N -0.021 119.558 119.600 -0.036 0.000 2.185 596 M HA 0.138 4.618 4.480 -0.000 0.000 0.308 596 M C 1.349 177.602 176.300 -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 -1.146 119.991 121.223 -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 56.194 54.840 -0.185 0.000 0.777 597 L CB -1.909 40.078 42.059 -0.120 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 1.527 124.309 122.820 -0.064 0.000 1.831 599 A HA 0.124 4.444 4.320 -0.000 0.000 0.213 599 A C 2.070 179.605 177.584 -0.083 0.000 1.223 599 A CA 1.372 53.370 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 0.555 121.706 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.681 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.069 58.818 54.840 -0.152 0.000 0.808 600 L CB -1.491 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 -2.114 112.350 114.554 -0.150 0.000 2.536 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.263 601 T C 2.008 176.669 174.700 -0.065 0.000 1.115 601 T CA 2.837 64.875 62.100 -0.104 0.000 1.180 601 T CB -1.728 67.085 68.868 -0.092 0.000 0.864 601 T HN 0.729 nan 8.240 nan 0.000 0.419 602 S N 1.619 117.287 115.700 -0.054 0.000 2.462 602 S HA 0.025 4.495 4.470 -0.000 0.000 0.243 602 S C 2.116 176.698 174.600 -0.032 0.000 1.003 602 S CA 1.203 59.380 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 0.869 nan 8.310 nan 0.000 0.510 603 G N 1.340 110.117 108.800 -0.038 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 -0.229 3.891 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 2.136 64.426 62.300 -0.017 0.000 1.091 604 V CB -1.309 30.500 31.823 -0.024 0.000 0.669 604 V HN 0.471 nan 8.190 nan 0.000 0.461 605 G N 0.363 109.151 108.800 -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 47.166 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.168 114.379 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.460 177.158 174.700 -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 68.432 68.868 -0.006 0.000 0.858 606 T HN 0.508 nan 8.240 nan 0.000 0.483 607 A N 1.703 124.522 122.820 -0.002 0.000 1.908 607 A HA 0.129 4.449 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 1.573 53.612 52.037 0.003 0.000 0.627 607 A CB -0.796 18.208 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.558 119.666 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.834 178.704 176.870 0.000 0.000 1.095 608 L CA 0.721 55.562 54.840 0.002 0.000 0.770 608 L CB -0.365 41.695 42.059 0.001 0.000 0.914 608 L HN 0.262 nan 8.230 nan 0.000 0.439 609 R N 0.339 120.837 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.263 176.561 176.300 -0.003 0.000 1.784 609 R CA 0.666 56.764 56.100 -0.003 0.000 1.509 609 R CB -0.230 30.067 30.300 -0.005 0.000 1.275 609 R HN 0.413 nan 8.270 nan 0.000 0.642 610 T N -7.736 106.818 114.554 -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 -0.033 68.835 68.868 -0.000 0.000 1.215 610 T HN 0.238 nan 8.240 nan 0.000 0.815 611 G N 1.724 110.526 108.800 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 1.033 175.936 174.900 0.005 0.000 1.088 611 G CA 1.571 46.674 45.100 0.005 0.000 0.734 611 G HN 0.943 nan 8.290 nan 0.000 0.616 612 S N -2.704 112.999 115.700 0.004 0.000 4.158 612 S HA -0.226 4.244 4.470 -0.000 0.000 0.615 612 S C 0.895 175.500 174.600 0.007 0.000 1.866 612 S CA 1.398 59.601 58.200 0.005 0.000 4.249 612 S CB -1.352 61.852 63.200 0.006 0.000 0.202 612 S HN 1.006 nan 8.310 nan 0.000 0.455 613 L N -1.256 119.975 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.102 177.987 176.870 0.024 0.000 1.189 613 L CA 0.988 55.839 54.840 0.018 0.000 1.303 613 L CB -0.476 41.596 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.465 109.279 108.800 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 0.168 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 0.333 120.742 120.400 0.015 0.000 2.283 615 K HA -0.020 4.300 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 0.865 109.674 108.800 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 1.103 121.023 119.914 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 -0.631 31.194 31.823 0.004 0.000 0.714 617 V HN 0.269 nan 8.190 nan 0.000 0.487 618 T N 2.270 116.826 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.416 175.119 174.700 0.004 0.000 0.942 618 T CA 0.492 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 1.446 121.847 120.400 0.001 0.000 2.811 619 D HA -0.220 4.420 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 0.837 54.839 54.000 0.002 0.000 0.716 619 D CB -0.993 39.810 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.242 122.580 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.129 179.715 177.584 0.004 0.000 1.201 620 A CA 1.312 53.352 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 -0.114 115.587 115.700 0.002 0.000 2.355 621 S HA -0.064 4.406 4.470 -0.000 0.000 0.216 621 S C 1.724 176.326 174.600 0.002 0.000 1.037 621 S CA 1.063 59.264 58.200 0.002 0.000 0.955 621 S CB -0.243 62.957 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.925 121.127 120.200 0.002 0.000 2.150 622 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 622 E C 2.097 178.700 176.600 0.004 0.000 0.985 622 E CA 0.649 57.051 56.400 0.003 0.000 0.814 622 E CB -0.077 29.625 29.700 0.003 0.000 0.752 622 E HN 0.441 nan 8.360 nan 0.000 0.466 623 K N 1.151 121.554 120.400 0.005 0.000 2.057 623 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 623 K C 2.209 178.813 176.600 0.007 0.000 1.049 623 K CA 0.695 56.986 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 0.901 122.128 121.223 0.006 0.000 2.005 624 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 624 L C 2.670 179.544 176.870 0.006 0.000 1.072 624 L CA 1.229 56.073 54.840 0.006 0.000 0.744 624 L CB -0.412 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 0.456 120.959 120.500 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 1.480 57.583 56.100 0.005 0.000 0.982 625 R CB -0.349 29.953 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.490 123.313 122.820 0.005 0.000 1.970 626 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 626 A C 2.192 179.778 177.584 0.005 0.000 1.170 626 A CA 0.526 52.566 52.037 0.004 0.000 0.645 626 A CB -0.233 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 -0.584 119.920 120.500 0.007 0.000 2.092 627 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 627 R C 2.284 178.591 176.300 0.011 0.000 1.119 627 R CA 1.521 57.627 56.100 0.010 0.000 0.970 627 R CB -0.248 30.060 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.236 119.570 119.800 0.011 0.000 2.167 628 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 628 Q C 2.131 178.137 176.000 0.010 0.000 0.970 628 Q CA 1.517 57.327 55.803 0.012 0.000 0.855 628 Q CB 0.001 28.746 28.738 0.011 0.000 0.911 628 Q HN 0.164 nan 8.270 nan 0.000 0.438 629 S N 0.161 115.865 115.700 0.006 0.000 2.382 629 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 629 S C 1.785 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.865 59.067 58.200 0.003 0.000 0.991 629 S CB -0.070 63.131 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 -0.012 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 1.621 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 -0.876 113.681 114.554 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 0.938 63.048 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 1.097 121.017 119.914 0.011 0.000 2.453 632 V HA 0.049 4.169 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 1.596 63.904 62.300 0.014 0.000 1.049 632 V CB -0.868 30.962 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.381 122.434 122.820 -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 18.656 19.000 -0.024 0.000 0.816 633 A HN 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.554 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 634 K C 2.116 178.566 176.600 -0.249 0.000 1.051 634 K CA 1.430 57.617 56.287 -0.166 0.000 0.952 634 K CB -0.062 32.324 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 -0.030 4.310 4.340 -0.000 0.000 0.201 635 Q C 1.682 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.840 57.669 55.803 0.043 0.000 0.847 635 Q CB -0.359 28.432 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.123 122.707 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.050 179.672 177.584 0.065 0.000 1.175 636 A CA 1.340 53.399 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 -0.143 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 1.699 59.605 58.000 -0.156 0.000 1.189 637 F CB -0.274 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 -0.407 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 1.368 59.060 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 -0.370 120.042 120.400 0.019 0.000 2.178 639 D HA -0.149 4.491 4.640 -0.000 0.000 0.202 639 D C 2.132 178.420 176.300 -0.019 0.000 0.974 639 D CA 1.060 55.067 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 -0.045 119.732 119.800 -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 0.284 56.086 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 0.964 121.424 120.570 -0.183 0.000 2.315 641 I HA -0.216 3.954 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 1.745 62.900 61.300 -0.242 0.000 1.392 641 I CB -1.241 36.337 38.000 -0.703 0.000 1.065 641 I HN 0.327 nan 8.210 nan 0.000 0.424 642 G N 0.048 108.806 108.800 -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 46.094 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.224 115.935 115.700 0.019 0.000 2.541 643 S HA 0.156 4.626 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 0.280 58.482 58.200 0.004 0.000 0.917 643 S CB -0.572 62.620 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.150 121.044 121.223 -0.049 0.000 1.991 644 L HA -0.111 4.229 4.340 -0.000 0.000 0.221 644 L C 1.064 177.771 176.870 -0.272 0.000 1.079 644 L CA 1.482 56.173 54.840 -0.247 0.000 0.778 644 L CB -0.742 41.055 42.059 -0.438 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.813 123.118 121.300 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 -1.867 55.494 57.345 0.026 0.000 1.544 645 W CB -0.274 29.247 29.460 0.102 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