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_T 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 1.458 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 -0.074 3.886 3.960 -0.000 0.000 0.220 45 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.220 45 G C -1.038 174.111 174.900 0.415 0.000 1.357 45 G CA -0.659 44.632 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 0.518 177.431 176.600 0.522 0.000 1.010 46 K CA -0.381 56.119 56.287 0.355 0.000 0.940 46 K CB 1.570 34.121 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.619 122.095 121.223 0.422 0.000 2.350 47 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 47 L C -1.361 175.702 176.870 0.321 0.000 1.099 47 L CA -0.229 54.867 54.840 0.427 0.000 0.808 47 L CB 0.431 42.433 42.059 -0.095 0.000 1.149 47 L HN 0.460 nan 8.230 nan 0.000 0.442 48 W N 3.586 124.930 121.300 0.073 0.000 2.736 48 W HA 0.784 5.444 4.660 -0.000 0.000 0.355 48 W C -0.348 176.213 176.519 0.069 0.000 1.102 48 W CA -0.876 56.515 57.345 0.078 0.000 1.164 48 W CB 0.994 30.517 29.460 0.105 0.000 1.422 48 W HN 0.437 nan 8.180 nan 0.000 0.572 49 R N 0.501 121.177 120.500 0.294 0.000 2.668 49 R HA 0.332 4.672 4.340 -0.000 0.000 0.272 49 R C -2.700 173.718 176.300 0.196 0.000 1.019 49 R CA -2.083 54.134 56.100 0.196 0.000 0.894 49 R CB 2.256 32.591 30.300 0.059 0.000 1.228 49 R HN 0.016 nan 8.270 nan 0.000 0.460 50 P HA -0.043 nan 4.420 nan 0.000 0.257 50 P C 0.745 178.101 177.300 0.093 0.000 1.227 50 P CA 0.257 63.443 63.100 0.143 0.000 0.981 50 P CB 0.363 32.149 31.700 0.143 0.000 1.044 51 V N 3.735 123.702 119.914 0.088 0.000 2.490 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 51 V C 2.252 178.373 176.094 0.046 0.000 1.061 51 V CA 2.681 65.017 62.300 0.060 0.000 1.064 51 V CB -1.079 30.778 31.823 0.058 0.000 0.670 51 V HN 0.636 nan 8.190 nan 0.000 0.461 52 G N -1.495 107.333 108.800 0.047 0.000 2.920 52 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 52 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 52 G C 0.461 175.381 174.900 0.033 0.000 1.159 52 G CA 0.888 46.009 45.100 0.035 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.535 53 T N -0.951 113.628 114.554 0.041 0.000 0.541 53 T HA -0.176 4.174 4.350 -0.000 0.000 0.774 53 T C 1.215 175.940 174.700 0.041 0.000 0.992 53 T CA 0.375 62.497 62.100 0.038 0.000 4.077 53 T CB -1.152 67.731 68.868 0.025 0.000 2.303 53 T HN 0.943 nan 8.240 nan 0.000 0.398 54 S N -1.431 114.295 115.700 0.042 0.000 4.158 54 S HA -0.296 4.174 4.470 -0.000 0.000 0.538 54 S C 1.197 175.833 174.600 0.060 0.000 1.845 54 S CA 1.440 59.667 58.200 0.044 0.000 4.227 54 S CB -1.182 62.035 63.200 0.029 0.000 0.452 54 S HN 2.211 nan 8.310 nan 0.000 0.455 55 V N 3.661 123.600 119.914 0.042 0.000 2.452 55 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 55 V C 0.343 176.459 176.094 0.037 0.000 0.995 55 V CA 0.523 62.843 62.300 0.034 0.000 1.116 55 V CB -0.178 31.655 31.823 0.015 0.000 0.954 55 V HN 0.971 nan 8.190 nan 0.000 0.473 56 A N 5.957 128.799 122.820 0.037 0.000 2.366 56 A HA 0.689 5.009 4.320 -0.000 0.000 0.322 56 A C 0.417 177.934 177.584 -0.112 0.000 1.397 56 A CA -0.323 51.709 52.037 -0.008 0.000 0.984 56 A CB 0.314 19.342 19.000 0.046 0.000 1.149 56 A HN 0.889 nan 8.150 nan 0.000 0.540 57 T N 1.516 116.022 114.554 -0.079 0.000 2.889 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 57 T C 0.813 175.446 174.700 -0.111 0.000 0.995 57 T CA -0.465 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.656 69.493 68.868 -0.050 0.000 1.237 57 T HN 0.410 nan 8.240 nan 0.000 0.591 58 I N 2.275 122.785 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.179 176.268 176.117 -0.048 0.000 1.221 58 I CA 0.389 61.630 61.300 -0.099 0.000 1.575 58 I CB -0.918 37.025 38.000 -0.095 0.000 1.254 58 I HN 0.679 nan 8.210 nan 0.000 0.600 59 D N -1.908 118.480 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.758 59 D C 1.196 177.519 176.300 0.039 0.000 0.564 59 D CA 0.466 54.477 54.000 0.018 0.000 1.286 59 D CB -0.624 40.181 40.800 0.008 0.000 1.248 59 D HN 0.142 nan 8.370 nan 0.000 0.365 60 S N 0.587 116.303 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.565 175.213 174.600 0.080 0.000 0.948 60 S CA -0.552 57.674 58.200 0.043 0.000 0.949 60 S CB -0.493 62.724 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.802 122.091 121.223 0.109 0.000 2.397 61 L HA 0.889 5.229 4.340 -0.000 0.000 0.266 61 L C 0.060 177.087 176.870 0.261 0.000 1.040 61 L CA -0.792 54.171 54.840 0.205 0.000 0.800 61 L CB 1.510 43.697 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.846 123.880 122.820 0.357 0.000 2.590 62 A HA 0.324 4.644 4.320 -0.000 0.000 0.309 62 A C -0.903 176.687 177.584 0.010 0.000 1.039 62 A CA -0.727 51.432 52.037 0.205 0.000 0.824 62 A CB 0.481 19.535 19.000 0.089 0.000 1.247 62 A HN 0.431 nan 8.150 nan 0.000 0.394 63 I N 2.689 122.987 120.570 -0.453 0.000 2.943 63 I HA -0.068 4.102 4.170 -0.000 0.000 0.296 63 I C 0.797 176.761 176.117 -0.255 0.000 1.220 63 I CA 0.532 61.403 61.300 -0.715 0.000 1.409 63 I CB 0.162 37.686 38.000 -0.794 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.814 126.649 119.914 -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 62.624 62.300 -0.014 0.000 1.349 64 V CB -0.492 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 2.934 118.636 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.369 174.277 174.600 0.077 0.000 1.179 65 S CA -0.174 58.041 58.200 0.024 0.000 0.992 65 S CB 1.266 64.442 63.200 -0.040 0.000 1.030 65 S HN 0.992 nan 8.310 nan 0.000 0.554 66 D N -0.165 120.279 120.400 0.072 0.000 3.038 66 D HA 0.007 4.647 4.640 -0.000 0.000 0.351 66 D C 0.428 176.743 176.300 0.026 0.000 1.442 66 D CA -0.511 53.534 54.000 0.075 0.000 0.802 66 D CB -0.248 40.651 40.800 0.165 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 0.890 177.020 176.300 -0.284 0.000 1.161 67 R CA 1.638 57.625 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 0.089 120.036 119.950 -0.007 0.000 2.704 68 F HA 0.396 4.923 4.527 -0.000 0.000 0.304 68 F C 1.455 177.160 175.800 -0.159 0.000 1.094 68 F CA 0.659 58.622 58.000 -0.061 0.000 1.275 68 F CB 1.170 40.148 39.000 -0.037 0.000 1.073 68 F HN 0.414 nan 8.300 nan 0.000 0.586 69 G N 0.321 109.122 108.800 0.002 0.000 2.428 69 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G C -0.889 173.907 174.900 -0.175 0.000 1.247 69 G CA -1.034 44.018 45.100 -0.080 0.000 1.020 69 G HN 0.045 nan 8.290 nan 0.000 0.529 70 Q N -0.283 119.403 119.800 -0.190 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.109 174.748 176.000 -0.237 0.000 0.961 70 Q CA -0.579 55.118 55.803 -0.177 0.000 0.882 70 Q CB 1.651 30.329 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 0.778 176.825 175.900 0.245 0.000 1.111 71 Y CA -0.064 58.103 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 0.412 nan 8.280 nan 0.000 0.526 72 S N 4.441 120.363 115.700 0.369 0.000 2.475 72 S HA 0.470 4.940 4.470 -0.000 0.000 0.298 72 S C -0.700 174.218 174.600 0.529 0.000 1.119 72 S CA -0.947 57.496 58.200 0.404 0.000 1.085 72 S CB 0.775 64.109 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.254 123.405 119.950 0.335 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.079 175.656 175.800 -0.109 0.000 1.123 73 F CA -0.685 57.236 58.000 -0.132 0.000 1.307 73 F CB 0.622 39.529 39.000 -0.155 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.867 126.164 119.914 -1.027 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.392 174.983 176.094 -1.198 0.000 1.106 74 V CA -0.883 60.945 62.300 -0.786 0.000 0.947 74 V CB -0.526 31.076 31.823 -0.369 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.914 119.920 118.700 -1.156 0.000 2.329 75 N HA -0.082 4.658 4.740 -0.000 0.000 0.237 75 N C 1.142 176.408 175.510 -0.407 0.000 1.258 75 N CA -0.067 52.559 53.050 -0.706 0.000 0.866 75 N CB 0.731 39.080 38.487 -0.231 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.310 121.371 120.200 -0.231 0.000 2.113 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.210 76 E C 1.842 178.340 176.600 -0.169 0.000 1.040 76 E CA 2.117 58.422 56.400 -0.159 0.000 0.847 76 E CB -1.012 28.639 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.588 109.293 108.800 -0.158 0.000 2.422 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 77 G HA3 -0.236 3.724 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 0.823 45.826 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.826 120.249 119.600 -0.294 0.000 2.549 78 M HA 0.068 4.548 4.480 -0.000 0.000 0.260 78 M C 2.353 178.305 176.300 -0.581 0.000 1.076 78 M CA 0.901 55.927 55.300 -0.457 0.000 1.090 78 M CB -0.121 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 -0.441 119.849 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.358 177.559 176.300 -0.165 0.000 1.010 79 R CA 0.937 56.901 56.100 -0.227 0.000 1.008 79 R CB -0.008 30.206 30.300 -0.143 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.457 120.547 120.200 -0.183 0.000 2.106 80 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 80 E C 1.540 178.077 176.600 -0.105 0.000 0.984 80 E CA 2.045 58.370 56.400 -0.124 0.000 0.806 80 E CB -0.143 29.484 29.700 -0.123 0.000 0.750 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.044 114.393 114.554 -0.195 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.704 176.444 174.700 0.066 0.000 1.053 81 T CA 1.281 63.307 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 1.186 121.130 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.911 178.735 175.800 0.039 0.000 1.076 82 F CA 0.190 58.191 58.000 0.001 0.000 1.383 82 F CB -0.243 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 0.015 115.831 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.985 176.698 174.600 0.187 0.000 1.034 83 S CA 0.611 58.907 58.200 0.159 0.000 0.963 83 S CB -0.056 63.188 63.200 0.073 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.540 121.024 120.400 0.139 0.000 2.211 84 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 84 K C 2.003 178.744 176.600 0.235 0.000 1.050 84 K CA 0.956 57.344 56.287 0.168 0.000 0.945 84 K CB -0.209 32.341 32.500 0.084 0.000 0.732 84 K HN 0.374 nan 8.250 nan 0.000 0.451 85 A N 0.852 123.797 122.820 0.208 0.000 1.874 85 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 85 A C 1.978 179.672 177.584 0.184 0.000 1.189 85 A CA 0.828 52.977 52.037 0.185 0.000 0.615 85 A CB -0.437 18.669 19.000 0.175 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.766 119.574 121.223 0.195 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.472 179.461 176.870 0.198 0.000 1.085 86 L CA 1.354 56.302 54.840 0.180 0.000 0.755 86 L CB -0.562 41.609 42.059 0.186 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.669 121.681 119.950 0.104 0.000 2.126 87 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 87 F C 2.096 177.962 175.800 0.110 0.000 1.096 87 F CA 2.046 60.097 58.000 0.086 0.000 1.255 87 F CB -0.286 38.746 39.000 0.054 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.218 120.209 120.400 0.045 0.000 2.350 88 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 88 D C 1.985 178.372 176.300 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 -0.388 120.285 120.570 0.171 0.000 2.729 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.256 89 I C 1.937 178.254 176.117 0.333 0.000 1.115 89 I CA 0.018 61.517 61.300 0.332 0.000 1.446 89 I CB -0.250 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 1.374 120.157 118.700 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 1.539 54.650 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 -0.465 119.060 119.600 -0.125 0.000 2.116 91 M HA -0.199 4.281 4.480 -0.000 0.000 0.255 91 M C 0.643 176.867 176.300 -0.127 0.000 1.075 91 M CA 1.723 56.892 55.300 -0.219 0.000 1.087 91 M CB -0.237 32.110 32.600 -0.421 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.420 121.758 121.300 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 -0.150 175.910 176.000 0.100 0.000 0.984 93 Q CA 1.995 57.950 55.803 0.253 0.000 0.846 93 Q CB -1.466 27.358 28.738 0.142 0.000 0.902 93 Q HN 0.094 nan 8.270 nan 0.000 0.421 94 P HA -0.146 nan 4.420 nan 0.000 0.221 94 P C 0.907 178.050 177.300 -0.262 0.000 1.145 94 P CA 0.875 63.910 63.100 -0.109 0.000 0.795 94 P CB 0.125 31.750 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 2.114 178.395 176.870 -0.982 0.000 1.106 95 L CA 0.777 55.086 54.840 -0.884 0.000 0.851 95 L CB -1.275 40.058 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.164 119.540 119.950 -0.409 0.000 2.163 96 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 96 F C 2.477 178.186 175.800 -0.153 0.000 1.094 96 F CA 1.185 59.072 58.000 -0.188 0.000 1.290 96 F CB -0.416 38.608 39.000 0.040 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.092 119.733 119.800 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 0.011 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 2.184 54.119 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 -4.561 109.796 114.554 -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 0.059 68.764 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.441 120.862 120.400 0.034 0.000 3.184 100 K HA -0.200 4.120 4.320 -0.000 0.000 0.301 100 K C 0.835 177.506 176.600 0.118 0.000 1.170 100 K CA 1.445 57.776 56.287 0.073 0.000 0.897 100 K CB -2.405 30.134 32.500 0.064 0.000 1.218 100 K HN 0.771 nan 8.250 nan 0.000 0.441 101 T N -2.050 112.623 114.554 0.199 0.000 3.367 101 T HA 0.474 4.824 4.350 -0.000 0.000 0.330 101 T C 1.302 176.155 174.700 0.256 0.000 1.269 101 T CA 1.257 63.519 62.100 0.271 0.000 0.912 101 T CB 0.626 69.752 68.868 0.429 0.000 2.087 101 T HN 0.682 nan 8.240 nan 0.000 0.562 102 G N -0.159 108.784 108.800 0.238 0.000 2.582 102 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.288 102 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.288 102 G C 0.635 175.464 174.900 -0.117 0.000 1.247 102 G CA 1.005 45.980 45.100 -0.209 0.000 0.972 102 G HN 2.213 nan 8.290 nan 0.000 0.557 103 C N -2.906 116.304 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.088 176.031 174.990 -0.078 0.000 2.815 103 C CA 0.381 59.352 59.018 -0.078 0.000 1.527 103 C CB -0.947 26.751 27.740 -0.069 0.000 2.094 103 C HN 3.160 nan 8.230 nan 0.000 0.423 104 G N 1.069 109.820 108.800 -0.082 0.000 2.612 104 G HA2 0.298 4.258 3.960 -0.000 0.000 0.686 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 104 G C -3.171 171.688 174.900 -0.069 0.000 1.274 104 G CA -0.406 44.663 45.100 -0.051 0.000 0.849 104 G HN 0.367 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.126 177.420 177.300 -0.009 0.000 1.230 105 P CA -0.331 62.766 63.100 -0.005 0.000 0.776 105 P CB 0.525 32.239 31.700 0.024 0.000 0.888 106 I N 2.965 123.544 120.570 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 -0.485 60.846 61.300 0.052 0.000 1.277 106 I CB 0.265 38.333 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.049 126.981 119.914 0.030 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.025 177.168 176.094 0.081 0.000 1.048 107 V CA -0.521 61.806 62.300 0.046 0.000 0.967 107 V CB 1.646 33.468 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.223 126.539 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.261 179.233 176.870 0.169 0.000 1.133 108 L CA 1.931 56.920 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 -2.424 113.315 115.700 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 0.460 58.674 58.200 0.023 0.000 0.943 109 S CB -0.733 62.474 63.200 0.011 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.261 115.338 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.758 175.071 174.600 -0.478 0.000 0.997 110 S CA -0.486 57.492 58.200 -0.369 0.000 0.908 110 S CB -0.503 62.360 63.200 -0.561 0.000 0.803 110 S HN 0.442 nan 8.310 nan 0.000 0.504 111 F N 2.962 122.905 119.950 -0.013 0.000 2.731 111 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 111 F C 1.659 177.457 175.800 -0.004 0.000 1.106 111 F CA 0.160 58.145 58.000 -0.025 0.000 1.329 111 F CB -0.131 38.846 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.102 112.550 114.554 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 0.114 62.305 62.100 0.152 0.000 0.941 112 T CB 1.526 70.478 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.617 111.032 114.554 0.157 0.000 2.711 113 T HA 0.527 4.877 4.350 -0.000 0.000 0.302 113 T C -0.949 173.849 174.700 0.163 0.000 1.373 113 T CA -0.807 61.364 62.100 0.119 0.000 1.000 113 T CB 1.264 70.194 68.868 0.104 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.074 116.692 114.554 0.106 0.000 3.514 114 T HA 0.457 4.807 4.350 -0.000 0.000 0.259 114 T C 0.071 174.824 174.700 0.088 0.000 1.466 114 T CA -0.425 61.756 62.100 0.135 0.000 1.562 114 T CB -0.118 68.795 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 0.282 174.970 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.152 0.000 0.944 115 T CB 0.817 69.349 68.868 -0.561 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.584 114.018 115.700 -0.164 0.000 2.543 116 S HA 0.805 5.275 4.470 -0.000 0.000 0.273 116 S C -0.352 174.128 174.600 -0.199 0.000 1.152 116 S CA -0.532 57.619 58.200 -0.081 0.000 0.910 116 S CB 1.827 64.997 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.774 109.450 108.800 -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 -2.401 172.281 174.900 -0.362 0.000 1.221 117 G CA -0.702 44.206 45.100 -0.320 0.000 0.912 117 G HN 0.572 nan 8.290 nan 0.000 0.483 118 Y N -0.440 119.890 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.291 176.243 175.900 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 4.464 124.487 119.914 0.183 0.000 2.349 119 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 119 V C -0.272 175.881 176.094 0.099 0.000 1.014 119 V CA 0.168 62.609 62.300 0.235 0.000 0.826 119 V CB 0.437 32.392 31.823 0.221 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.005 112.820 108.800 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 0.329 175.322 174.900 0.155 0.000 1.291 120 G CA 0.042 45.113 45.100 -0.048 0.000 0.834 120 G HN 1.093 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.497 122.820 0.066 0.000 2.115 121 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 121 A C 1.153 178.911 177.584 0.290 0.000 1.169 121 A CA 1.878 54.054 52.037 0.231 0.000 0.787 121 A CB -0.123 18.955 19.000 0.131 0.000 0.858 121 A HN 1.763 nan 8.150 nan 0.000 0.474 122 T N -5.508 108.946 114.554 -0.166 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.876 175.020 174.700 -0.927 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.312 0.000 1.044 122 T CB 1.154 70.011 68.868 -0.019 0.000 1.184 122 T HN 0.962 nan 8.240 nan 0.000 0.477 123 A N 2.898 125.097 122.820 -1.036 0.000 1.923 123 A HA -0.092 4.228 4.320 -0.000 0.000 0.222 123 A C 2.404 179.728 177.584 -0.434 0.000 1.258 123 A CA 3.245 54.900 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 0.150 108.787 108.800 -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 -0.198 0.000 0.774 124 G HN 0.859 nan 8.290 nan 0.000 0.562 125 D N -0.047 120.208 120.400 -0.243 0.000 2.333 125 D HA 0.360 5.000 4.640 -0.000 0.000 0.208 125 D C 2.241 178.389 176.300 -0.254 0.000 0.984 125 D CA 0.947 54.827 54.000 -0.201 0.000 0.873 125 D CB -0.179 40.538 40.800 -0.138 0.000 0.935 125 D HN 0.299 nan 8.370 nan 0.000 0.521 126 A N 0.219 122.781 122.820 -0.430 0.000 2.119 126 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 126 A C 1.982 179.388 177.584 -0.296 0.000 1.153 126 A CA 0.441 52.209 52.037 -0.449 0.000 0.692 126 A CB -0.611 17.777 19.000 -1.019 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N 0.004 121.013 121.223 -0.357 0.000 2.275 127 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 127 L C 0.055 176.746 176.870 -0.298 0.000 1.119 127 L CA 1.676 56.252 54.840 -0.440 0.000 0.790 127 L CB -0.547 41.285 42.059 -0.377 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.719 119.581 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.028 176.313 176.300 -0.026 0.000 1.183 128 D CA 0.179 54.128 54.000 -0.085 0.000 0.827 128 D CB -0.118 40.634 40.800 -0.080 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.293 120.010 118.700 0.028 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.756 172.820 175.510 0.110 0.000 1.834 129 N CA -0.803 52.267 53.050 0.034 0.000 0.871 129 N CB 1.402 39.877 38.487 -0.019 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.011 nan 4.420 nan 0.000 0.260 130 P C -0.043 177.229 177.300 -0.047 0.000 1.207 130 P CA 0.288 63.462 63.100 0.125 0.000 0.780 130 P CB 0.986 32.830 31.700 0.239 0.000 0.789 131 V N 4.923 124.768 119.914 -0.114 0.000 2.459 131 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.299 175.758 176.094 -0.063 0.000 1.029 131 V CA -0.199 62.038 62.300 -0.104 0.000 0.874 131 V CB 1.997 33.695 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 0.247 174.970 174.700 0.037 0.000 0.982 132 T CA -0.333 61.757 62.100 -0.016 0.000 0.978 132 T CB 0.474 69.325 68.868 -0.029 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.697 120.436 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.592 176.199 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.789 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 -0.670 108.294 108.800 0.273 0.000 2.653 134 G HA2 0.406 4.365 3.960 -0.000 0.000 0.265 134 G HA3 0.406 4.365 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.240 0.000 1.237 134 G CA -0.196 45.036 45.100 0.221 0.000 0.946 134 G HN 0.269 nan 8.290 nan 0.000 0.522 135 V N 0.658 120.614 119.914 0.071 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.101 174.945 176.094 -0.081 0.000 1.017 135 V CA -0.932 61.405 62.300 0.062 0.000 0.823 135 V CB -0.441 31.385 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.016 126.099 119.950 0.222 0.000 2.470 136 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 136 F C 0.101 176.035 175.800 0.224 0.000 1.072 136 F CA -0.867 57.291 58.000 0.264 0.000 0.989 136 F CB 2.005 41.214 39.000 0.349 0.000 1.193 136 F HN 0.384 nan 8.300 nan 0.000 0.481 137 I N 2.105 122.896 120.570 0.368 0.000 2.389 137 I HA 0.359 4.529 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 -0.439 60.999 61.300 0.230 0.000 1.129 137 I CB 1.012 39.106 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.894 119.584 115.700 -0.016 0.000 2.584 138 S HA 0.123 4.593 4.470 -0.000 0.000 0.270 138 S C 1.094 175.582 174.600 -0.186 0.000 1.346 138 S CA -0.068 57.891 58.200 -0.402 0.000 1.018 138 S CB 1.281 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 1.640 116.079 114.554 -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 1.636 63.685 62.100 -0.084 0.000 1.165 139 T CB -0.715 68.110 68.868 -0.072 0.000 0.863 139 T HN 0.624 nan 8.240 nan 0.000 0.427 140 V N 1.219 121.136 119.914 0.004 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.372 178.497 176.094 0.051 0.000 1.088 140 V CA 1.745 64.080 62.300 0.058 0.000 1.106 140 V CB -0.475 31.448 31.823 0.167 0.000 0.686 140 V HN 0.400 nan 8.190 nan 0.000 0.481 141 Q N -0.456 119.360 119.800 0.026 0.000 2.123 141 Q HA 0.087 4.427 4.340 -0.000 0.000 0.196 141 Q C 2.146 178.117 176.000 -0.047 0.000 0.958 141 Q CA 1.673 57.511 55.803 0.058 0.000 0.841 141 Q CB -0.312 28.475 28.738 0.082 0.000 0.915 141 Q HN 0.655 nan 8.270 nan 0.000 0.455 142 I N 0.545 121.072 120.570 -0.072 0.000 2.800 142 I HA -0.265 3.905 4.170 -0.000 0.000 0.266 142 I C 1.754 177.770 176.117 -0.168 0.000 1.249 142 I CA 0.505 61.724 61.300 -0.136 0.000 1.458 142 I CB 0.074 38.035 38.000 -0.065 0.000 1.093 142 I HN 0.179 nan 8.210 nan 0.000 0.466 143 M N -0.229 119.302 119.600 -0.114 0.000 2.325 143 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 143 M C 1.940 178.154 176.300 -0.143 0.000 1.094 143 M CA 1.476 56.714 55.300 -0.104 0.000 1.161 143 M CB -1.082 31.491 32.600 -0.044 0.000 1.358 143 M HN 0.186 nan 8.290 nan 0.000 0.446 144 N N 0.600 119.224 118.700 -0.127 0.000 2.109 144 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 144 N C 1.697 176.920 175.510 -0.478 0.000 1.034 144 N CA 0.883 53.854 53.050 -0.131 0.000 0.846 144 N CB -0.898 37.680 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 -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.156 178.580 176.870 -0.742 0.000 1.107 145 L CA 1.698 55.644 54.840 -1.489 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 0.057 119.556 119.800 -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 1.380 56.987 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 0.477 nan 8.270 nan 0.000 0.447 147 R N -0.094 120.304 120.500 -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 1.156 57.190 56.100 -0.109 0.000 1.004 147 R CB 0.093 30.350 30.300 -0.072 0.000 0.865 147 R HN 0.299 nan 8.270 nan 0.000 0.469 148 T N 0.678 115.153 114.554 -0.130 0.000 2.781 148 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 148 T C 1.712 176.365 174.700 -0.080 0.000 1.039 148 T CA 0.591 62.650 62.100 -0.069 0.000 1.147 148 T CB 0.037 68.901 68.868 -0.007 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.399 121.889 120.570 -0.133 0.000 2.399 149 I HA -0.226 3.944 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 0.896 62.141 61.300 -0.092 0.000 1.412 149 I CB -0.257 37.660 38.000 -0.137 0.000 1.076 149 I HN 0.221 nan 8.210 nan 0.000 0.432 150 A N 0.346 123.114 122.820 -0.087 0.000 1.855 150 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 150 A C 2.542 180.088 177.584 -0.063 0.000 1.195 150 A CA 1.241 53.236 52.037 -0.071 0.000 0.610 150 A CB -0.786 18.169 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.137 122.648 122.820 -0.058 0.000 1.865 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 151 A C 2.219 179.773 177.584 -0.050 0.000 1.191 151 A CA 1.642 53.648 52.037 -0.052 0.000 0.623 151 A CB -0.514 18.463 19.000 -0.038 0.000 0.826 151 A HN 0.366 nan 8.150 nan 0.000 0.444 152 R N -1.606 118.876 120.500 -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 0.624 120.204 119.600 -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 -0.515 32.059 32.600 -0.044 0.000 1.369 153 M HN 0.025 nan 8.290 nan 0.000 0.408 154 R N -0.064 120.344 120.500 -0.153 0.000 2.075 154 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 154 R C 1.671 177.749 176.300 -0.371 0.000 1.140 154 R CA 2.039 58.014 56.100 -0.208 0.000 0.928 154 R CB -0.525 29.680 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.256 120.417 120.400 -0.398 0.000 2.204 155 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 155 D C 1.813 177.241 176.300 -1.452 0.000 1.006 155 D CA 1.875 55.399 54.000 -0.794 0.000 0.855 155 D CB -0.710 39.852 40.800 -0.396 0.000 0.946 155 D HN 0.234 nan 8.370 nan 0.000 0.448 156 V N 0.977 120.313 119.914 -0.964 0.000 2.307 156 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 156 V C 2.338 177.957 176.094 -0.793 0.000 1.045 156 V CA 2.327 64.008 62.300 -1.032 0.000 1.024 156 V CB -0.657 30.679 31.823 -0.812 0.000 0.651 156 V HN 0.247 nan 8.190 nan 0.000 0.449 157 A N 0.060 122.589 122.820 -0.485 0.000 2.009 157 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 157 A C 2.167 179.560 177.584 -0.319 0.000 1.175 157 A CA 2.442 54.298 52.037 -0.302 0.000 0.651 157 A CB -0.582 18.295 19.000 -0.205 0.000 0.815 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 L N -2.097 118.853 121.223 -0.454 0.000 2.022 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.204 158 L C 2.810 179.565 176.870 -0.192 0.000 1.076 158 L CA 1.388 56.016 54.840 -0.354 0.000 0.749 158 L CB -1.176 40.645 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.740 121.955 121.300 -0.142 0.000 2.317 159 W HA -0.252 4.408 4.660 -0.000 0.000 0.318 159 W C 2.583 179.147 176.519 0.075 0.000 1.227 159 W CA 0.900 58.291 57.345 0.078 0.000 1.269 159 W CB -1.382 27.920 29.460 -0.264 0.000 1.155 159 W HN 0.375 nan 8.180 nan 0.000 0.484 160 Q N 1.565 121.273 119.800 -0.153 0.000 2.325 160 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 160 Q C 2.060 178.180 176.000 0.200 0.000 0.988 160 Q CA 2.368 58.228 55.803 0.095 0.000 0.887 160 Q CB -0.357 28.359 28.738 -0.037 0.000 0.915 160 Q HN 0.513 nan 8.270 nan 0.000 0.440 161 K N -1.382 119.031 120.400 0.021 0.000 2.137 161 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 161 K C 1.791 178.351 176.600 -0.066 0.000 1.052 161 K CA 0.837 57.092 56.287 -0.054 0.000 0.961 161 K CB -0.201 32.185 32.500 -0.190 0.000 0.741 161 K HN 0.254 nan 8.250 nan 0.000 0.452 162 H N 0.832 119.944 119.070 0.070 0.000 2.357 162 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 162 H C 2.166 177.401 175.328 -0.155 0.000 1.082 162 H CA 1.438 57.457 56.048 -0.048 0.000 1.342 162 H CB -0.175 29.538 29.762 -0.081 0.000 1.389 162 H HN 0.193 nan 8.280 nan 0.000 0.511 163 L N 1.489 122.736 121.223 0.040 0.000 2.079 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 163 L C 1.942 178.860 176.870 0.079 0.000 1.081 163 L CA 2.030 56.894 54.840 0.040 0.000 0.752 163 L CB -0.648 41.729 42.059 0.531 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.347 119.139 120.400 0.142 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.504 176.300 0.042 0.000 0.986 164 D CA 1.894 55.962 54.000 0.113 0.000 0.829 164 D CB -0.196 40.691 40.800 0.146 0.000 0.983 164 D HN 0.524 nan 8.370 nan 0.000 0.453 165 T N -2.074 112.496 114.554 0.026 0.000 2.896 165 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 165 T C 1.699 176.396 174.700 -0.006 0.000 1.104 165 T CA 1.542 63.649 62.100 0.011 0.000 1.115 165 T CB -0.413 68.460 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.064 122.868 122.820 -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 -0.052 0.000 0.707 166 A CB -0.453 18.491 19.000 -0.095 0.000 0.862 166 A HN 0.430 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 2.316 178.575 176.300 -0.069 0.000 1.079 167 M CA 2.630 57.817 55.300 -0.189 0.000 1.119 167 M CB -0.916 31.386 32.600 -0.497 0.000 1.297 167 M HN 0.520 nan 8.290 nan 0.000 0.416 168 T N -1.432 113.119 114.554 -0.006 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.609 176.356 174.700 0.078 0.000 1.104 168 T CA 1.214 63.352 62.100 0.063 0.000 1.114 168 T CB -0.846 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 -0.241 176.182 176.300 0.206 0.000 1.152 169 M CA 0.500 55.861 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 -2.640 118.718 121.223 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 -1.339 173.551 174.700 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 0.600 nan 8.240 nan 0.000 0.259 172 P HA 0.160 nan 4.420 nan 0.000 0.258 172 P C -0.335 177.109 177.300 0.240 0.000 1.403 172 P CA 0.298 63.545 63.100 0.246 0.000 0.826 172 P CB 0.462 32.263 31.700 0.167 0.000 1.414 173 D N 0.876 121.409 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.251 176.635 176.300 0.139 0.000 1.222 173 D CA -0.397 53.705 54.000 0.170 0.000 0.895 173 D CB 1.781 42.669 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.914 119.734 120.570 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 1.299 117.030 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.027 174.589 174.600 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 0.452 123.290 122.820 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 19.376 19.000 0.019 0.000 1.337 176 A HN 1.714 nan 8.150 nan 0.000 0.400 177 G N 1.351 110.163 108.800 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 45.295 45.100 0.024 0.000 0.896 177 G HN 1.644 nan 8.290 nan 0.000 0.570 178 S N -1.166 114.559 115.700 0.041 0.000 2.589 178 S HA 0.967 5.437 4.470 -0.000 0.000 0.272 178 S C 0.345 174.998 174.600 0.089 0.000 1.096 178 S CA 0.847 59.081 58.200 0.056 0.000 0.985 178 S CB 1.363 64.585 63.200 0.035 0.000 1.278 178 S HN 2.517 nan 8.310 nan 0.000 0.528 179 A N 1.090 123.971 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.266 177.395 177.584 0.128 0.000 0.940 179 A CA -0.421 51.711 52.037 0.159 0.000 0.663 179 A CB -0.646 18.508 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.365 174.864 174.600 -0.168 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.862 63.200 -0.039 0.000 1.159 180 S HN 2.414 nan 8.310 nan 0.000 0.534 181 C N 2.374 121.539 119.300 -0.226 0.000 3.212 181 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 181 C C -0.378 174.545 174.990 -0.111 0.000 0.979 181 C CA -0.695 58.176 59.018 -0.244 0.000 1.283 181 C CB -1.654 25.696 27.740 -0.651 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.747 122.428 118.700 -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 0.997 54.066 53.050 0.031 0.000 0.840 182 N CB 0.222 38.721 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.988 125.231 121.300 -0.095 0.000 2.275 183 W HA -0.374 4.286 4.660 -0.000 0.000 0.321 183 W C 1.163 177.638 176.519 -0.073 0.000 1.269 183 W CA 1.428 58.718 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 0.343 120.718 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.054 178.540 176.600 -0.190 0.000 1.053 184 K CA 2.070 58.269 56.287 -0.147 0.000 0.959 184 K CB -1.257 31.225 32.500 -0.030 0.000 0.728 184 K HN 0.118 nan 8.250 nan 0.000 0.447 185 S N 1.645 117.293 115.700 -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 1.648 59.827 58.200 -0.034 0.000 1.117 185 S CB -0.603 62.593 63.200 -0.007 0.000 1.020 185 S HN 0.254 nan 8.310 nan 0.000 0.430 186 L N 1.392 122.495 121.223 -0.200 0.000 2.011 186 L HA -0.205 4.135 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 1.802 56.490 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.193 42.059 -0.288 0.000 0.898 186 L HN 0.323 nan 8.230 nan 0.000 0.440 187 L N -1.245 119.607 121.223 -0.617 0.000 1.961 187 L HA -0.228 4.112 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 1.572 56.044 54.840 -0.613 0.000 0.749 187 L CB -0.766 40.788 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.851 121.822 122.820 -0.246 0.000 2.148 188 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 188 A C 2.022 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.938 53.901 52.037 -0.124 0.000 0.662 188 A CB -0.857 18.131 19.000 -0.021 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.387 120.091 119.950 -0.409 0.000 2.123 189 F HA 0.229 4.756 4.527 -0.000 0.000 0.289 189 F C 2.380 177.810 175.800 -0.617 0.000 1.099 189 F CA 1.094 58.610 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 -0.644 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 0.825 177.274 176.600 -0.251 0.000 1.046 191 K CA 1.639 57.774 56.287 -0.254 0.000 0.938 191 K CB -0.097 32.291 32.500 -0.186 0.000 0.737 191 K HN 0.580 nan 8.250 nan 0.000 0.458 192 D N -0.147 120.031 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.892 176.300 -0.344 0.000 1.290 192 D CA 0.427 54.247 54.000 -0.300 0.000 0.994 192 D CB -0.275 40.347 40.800 -0.296 0.000 1.014 192 D HN -0.135 nan 8.370 nan 0.000 0.378 193 I N 1.136 121.385 120.570 -0.535 0.000 2.253 193 I HA -0.295 3.875 4.170 -0.000 0.000 0.234 193 I C 0.990 176.951 176.117 -0.259 0.000 0.978 193 I CA 1.064 62.116 61.300 -0.414 0.000 1.271 193 I CB -1.301 36.335 38.000 -0.607 0.000 0.978 193 I HN 0.148 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 -0.549 62.521 63.100 -0.050 0.000 0.771 195 P CB 0.775 32.462 31.700 -0.023 0.000 0.858 196 L N 1.574 122.772 121.223 -0.043 0.000 2.671 196 L HA -0.152 4.188 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 -2.001 118.386 120.400 -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 0.242 118.900 118.700 -0.070 0.000 2.199 198 N HA 0.166 4.906 4.740 -0.000 0.000 0.254 198 N C 0.520 175.684 175.510 -0.576 0.000 1.299 198 N CA 0.146 53.116 53.050 -0.134 0.000 0.940 198 N CB 0.482 38.923 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.004 119.938 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.648 177.552 176.870 0.057 0.000 1.098 199 L CA 0.225 54.979 54.840 -0.143 0.000 1.557 199 L CB -1.115 40.926 42.059 -0.030 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.312 118.814 119.300 -0.289 0.000 2.697 200 C HA 0.249 4.708 4.460 -0.000 0.000 0.267 200 C C 2.122 177.087 174.990 -0.041 0.000 1.278 200 C CA 0.135 59.003 59.018 -0.250 0.000 1.708 200 C CB -0.654 26.871 27.740 -0.358 0.000 1.860 200 C HN 0.439 nan 8.230 nan 0.000 0.589 201 L N -0.468 120.721 121.223 -0.056 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.478 179.301 176.870 -0.078 0.000 1.071 201 L CA 0.936 55.734 54.840 -0.069 0.000 0.850 201 L CB -0.508 41.494 42.059 -0.094 0.000 1.040 201 L HN 0.141 nan 8.230 nan 0.000 0.475 202 T N -1.250 113.250 114.554 -0.090 0.000 3.043 202 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 202 T C 0.403 174.788 174.700 -0.524 0.000 1.094 202 T CA 1.000 62.916 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 -0.779 119.593 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.871 174.132 175.900 0.172 0.000 1.132 203 Y CA -2.356 55.810 58.100 0.110 0.000 1.142 203 Y CB 0.320 38.788 38.460 0.014 0.000 1.222 203 Y HN 0.012 nan 8.280 nan 0.000 0.575 204 P HA -0.316 nan 4.420 nan 0.000 0.229 204 P C 0.095 177.547 177.300 0.253 0.000 1.073 204 P CA 2.358 65.566 63.100 0.180 0.000 1.022 204 P CB -0.019 31.717 31.700 0.061 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 0.468 176.084 175.510 0.176 0.000 1.511 205 N CA -0.273 52.925 53.050 0.248 0.000 1.097 205 N CB 0.522 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 -1.146 119.157 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.084 176.453 176.600 -0.106 0.000 0.898 206 E CA -0.005 56.403 56.400 0.015 0.000 1.422 206 E CB 0.151 29.870 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.865 119.139 119.950 0.090 0.000 2.500 207 F HA 0.145 4.672 4.527 -0.000 0.000 0.285 207 F C 1.685 177.541 175.800 0.094 0.000 1.088 207 F CA 0.382 58.446 58.000 0.106 0.000 1.432 207 F CB -0.150 38.952 39.000 0.170 0.000 1.131 207 F HN 0.083 nan 8.300 nan 0.000 0.582 208 Y N 1.772 122.194 120.300 0.204 0.000 2.114 208 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 208 Y C 2.137 178.023 175.900 -0.023 0.000 1.165 208 Y CA 1.952 60.121 58.100 0.115 0.000 1.148 208 Y CB -0.867 37.675 38.460 0.135 0.000 0.972 208 Y HN 0.038 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 -0.144 4.596 4.740 -0.000 0.000 0.183 209 N C 1.880 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.583 54.401 53.050 -0.386 0.000 0.866 209 N CB -0.148 38.212 38.487 -0.211 0.000 0.980 209 N HN 0.303 nan 8.380 nan 0.000 0.430 210 V N 1.805 121.486 119.914 -0.387 0.000 2.323 210 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 210 V C 2.611 178.428 176.094 -0.462 0.000 1.041 210 V CA 1.662 63.655 62.300 -0.511 0.000 1.025 210 V CB -0.922 30.573 31.823 -0.547 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.291 122.991 122.820 -0.200 0.000 1.859 211 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.037 0.000 1.198 211 A CA 2.279 54.345 52.037 0.048 0.000 0.629 211 A CB -0.804 18.290 19.000 0.158 0.000 0.830 211 A HN 0.469 nan 8.150 nan 0.000 0.446 212 I N -0.673 119.698 120.570 -0.332 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.886 177.946 176.117 -0.095 0.000 1.132 212 I CA 1.796 62.908 61.300 -0.313 0.000 1.397 212 I CB -0.407 37.285 38.000 -0.513 0.000 1.074 212 I HN 0.517 nan 8.210 nan 0.000 0.435 213 H N -0.926 118.039 119.070 -0.175 0.000 2.539 213 H HA 0.136 4.692 4.556 -0.000 0.000 0.267 213 H C 1.791 176.992 175.328 -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 0.281 nan 8.280 nan 0.000 0.577 214 R N -0.475 119.913 120.500 -0.187 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.663 175.147 176.300 -0.817 0.000 0.885 214 R CA 0.077 55.873 56.100 -0.507 0.000 1.018 214 R CB 0.814 30.701 30.300 -0.688 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 -0.006 0.000 2.555 215 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 215 Y C -1.855 174.035 175.900 -0.015 0.000 0.984 215 Y CA -2.840 55.266 58.100 0.010 0.000 1.298 215 Y CB 1.381 39.859 38.460 0.030 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.034 nan 4.420 nan 0.000 0.259 216 P C 0.751 178.060 177.300 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 0.319 123.188 122.820 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 0.336 52.408 52.037 0.058 0.000 0.620 217 A CB -0.901 18.168 19.000 0.115 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.750 122.988 121.223 0.024 0.000 2.485 218 L HA 0.180 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 0.081 42.142 42.059 0.002 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.289 125.584 120.400 -0.176 0.000 2.293 219 K HA 0.416 4.736 4.320 -0.000 0.000 0.267 219 K C -2.264 174.234 176.600 -0.170 0.000 1.010 219 K CA -1.755 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.128 33.548 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.033 nan 4.420 nan 0.000 0.271 220 P C -0.045 177.220 177.300 -0.059 0.000 1.216 220 P CA -0.358 62.702 63.100 -0.067 0.000 0.776 220 P CB 0.829 32.501 31.700 -0.046 0.000 0.881 221 G N 2.276 111.041 108.800 -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 0.298 175.194 174.900 -0.005 0.000 1.242 221 G CA -0.277 44.799 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.211 121.911 118.700 -0.000 0.000 2.412 222 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 222 N C -1.038 174.479 175.510 0.011 0.000 1.236 222 N CA -1.674 51.382 53.050 0.010 0.000 0.882 222 N CB 1.375 39.869 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 -0.445 176.862 177.300 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 0.017 0.000 0.788 224 D N -1.650 118.756 120.400 0.009 0.000 3.139 224 D HA 0.194 4.834 4.640 -0.000 0.000 0.268 224 D C 0.521 176.825 176.300 0.006 0.000 1.322 224 D CA 0.416 54.420 54.000 0.007 0.000 0.940 224 D CB -0.289 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 -0.956 113.602 114.554 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 -0.282 68.589 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 -1.609 119.613 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.779 175.081 176.870 -0.016 0.000 1.015 227 L CA -2.444 52.391 54.840 -0.008 0.000 0.821 227 L CB 1.751 43.808 42.059 -0.003 0.000 1.370 227 L HN -0.199 nan 8.230 nan 0.000 0.416 228 P HA 0.055 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 0.507 63.584 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 0.253 4.893 4.640 -0.000 0.000 0.386 229 D C 0.761 177.061 176.300 -0.000 0.000 1.267 229 D CA 0.708 54.719 54.000 0.018 0.000 0.958 229 D CB 0.389 41.228 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.168 122.970 122.820 -0.031 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.515 178.054 177.584 -0.076 0.000 1.764 230 A CA 1.470 53.485 52.037 -0.037 0.000 1.092 230 A CB -1.322 17.671 19.000 -0.012 0.000 1.471 230 A HN 0.270 nan 8.150 nan 0.000 0.722 231 Q N 0.829 120.580 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.845 176.000 -0.460 0.000 1.013 231 Q CA 0.775 56.461 55.803 -0.195 0.000 0.895 231 Q CB 0.599 29.298 28.738 -0.064 0.000 1.271 231 Q HN 1.497 nan 8.270 nan 0.000 0.460 232 A N 2.906 125.431 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 232 A C -0.855 176.373 177.584 -0.593 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.558 19.431 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.873 122.935 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.514 172.811 175.328 -0.005 0.000 1.612 233 H CA -1.591 54.450 56.048 -0.013 0.000 1.279 233 H CB -0.205 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 2.008 33.705 31.700 -0.006 0.000 0.961 235 L N 2.416 123.645 121.223 0.009 0.000 2.211 235 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 235 L C 2.050 179.022 176.870 0.171 0.000 1.092 235 L CA 2.378 57.281 54.840 0.104 0.000 0.767 235 L CB -1.889 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 0.169 45.323 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.019 120.247 120.200 0.047 0.000 2.181 237 E HA -0.289 4.061 4.350 -0.000 0.000 0.225 237 E C 2.424 179.058 176.600 0.056 0.000 1.073 237 E CA 2.399 58.825 56.400 0.043 0.000 0.916 237 E CB -0.268 29.457 29.700 0.042 0.000 0.793 237 E HN 0.252 nan 8.360 nan 0.000 0.472 238 V N 0.221 120.179 119.914 0.074 0.000 2.255 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 238 V C 2.356 178.582 176.094 0.221 0.000 1.038 238 V CA 1.819 64.215 62.300 0.160 0.000 1.008 238 V CB -1.224 30.681 31.823 0.137 0.000 0.645 238 V HN 0.507 nan 8.190 nan 0.000 0.449 239 A N 1.007 123.909 122.820 0.136 0.000 1.903 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 239 A C 2.372 180.034 177.584 0.130 0.000 1.191 239 A CA 2.437 54.552 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 -1.321 107.527 108.800 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 1.565 176.480 174.900 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 0.371 123.204 122.820 0.021 0.000 1.898 241 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 241 A C 1.627 179.086 177.584 -0.209 0.000 1.183 241 A CA 0.470 52.442 52.037 -0.108 0.000 0.622 241 A CB -0.295 18.611 19.000 -0.158 0.000 0.824 241 A HN 0.258 nan 8.150 nan 0.000 0.444 242 F N 0.588 120.538 119.950 0.000 0.000 2.695 242 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 242 F C 1.346 177.149 175.800 0.005 0.000 1.182 242 F CA 0.199 58.199 58.000 0.001 0.000 1.412 242 F CB 0.141 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 -0.308 118.455 118.700 0.106 0.000 2.211 243 N HA 0.190 4.929 4.740 -0.000 0.000 0.216 243 N C 0.704 176.239 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.216 38.749 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.202 124.029 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.639 178.225 177.584 0.003 0.000 1.055 244 A CA 0.158 52.194 52.037 -0.002 0.000 0.756 244 A CB 0.004 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 3.630 126.456 122.820 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 -1.379 17.632 19.000 0.018 0.000 1.088 245 A HN 1.362 nan 8.150 nan 0.000 0.568 246 T N 0.928 115.479 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.402 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.141 62.230 62.100 -0.017 0.000 1.168 246 T CB 0.640 69.493 68.868 -0.026 0.000 0.911 246 T HN 1.047 nan 8.240 nan 0.000 0.535 247 S N 1.776 117.471 115.700 -0.008 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.456 176.056 174.600 -0.001 0.000 1.010 247 S CA 0.847 59.045 58.200 -0.002 0.000 0.972 247 S CB -0.385 62.813 63.200 -0.003 0.000 0.774 247 S HN 0.742 nan 8.310 nan 0.000 0.501 248 E N 1.289 121.488 120.200 -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 1.067 57.467 56.400 0.000 0.000 0.803 248 E CB -0.193 29.507 29.700 0.000 0.000 0.755 248 E HN 0.710 nan 8.360 nan 0.000 0.453 249 V N -3.220 116.699 119.914 0.008 0.000 2.567 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 249 V C 1.145 177.249 176.094 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 3.941 112.750 108.800 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 46.748 45.100 0.017 0.000 0.865 250 G HN 2.041 nan 8.290 nan 0.000 1.379 251 S N -1.481 114.237 115.700 0.029 0.000 2.652 251 S HA 0.466 4.936 4.470 -0.000 0.000 0.273 251 S C 1.044 175.674 174.600 0.051 0.000 1.172 251 S CA -0.139 58.084 58.200 0.039 0.000 1.009 251 S CB 0.689 63.912 63.200 0.038 0.000 1.094 251 S HN 0.478 nan 8.310 nan 0.000 0.471 252 L N 4.298 125.564 121.223 0.073 0.000 2.013 252 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 252 L C 2.587 179.500 176.870 0.071 0.000 1.073 252 L CA 1.695 56.587 54.840 0.087 0.000 0.753 252 L CB -0.914 41.237 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.378 120.339 119.914 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 2.430 177.042 174.600 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 1.487 59.696 58.200 0.015 0.000 0.996 256 S CB -1.205 62.003 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.075 116.783 115.700 0.013 0.000 2.345 257 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 257 S C 2.122 176.729 174.600 0.012 0.000 1.031 257 S CA 1.786 59.993 58.200 0.011 0.000 0.996 257 S CB -1.966 61.242 63.200 0.014 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.910 115.473 114.554 0.015 0.000 2.896 258 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 258 T C 1.471 176.179 174.700 0.012 0.000 1.104 258 T CA 1.493 63.602 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 1.158 56.003 54.840 0.008 0.000 0.780 259 L CB -0.430 41.634 42.059 0.007 0.000 0.955 259 L HN 0.365 nan 8.230 nan 0.000 0.462 260 S N -0.668 115.035 115.700 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 1.441 59.642 58.200 0.001 0.000 0.993 260 S CB -0.418 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 2.796 122.599 119.800 0.006 0.000 1.993 261 Q HA 0.071 4.411 4.340 -0.000 0.000 0.202 261 Q C 2.266 178.270 176.000 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 0.003 0.000 1.181 262 A CA 1.698 53.739 52.037 0.008 0.000 0.627 262 A CB -0.912 18.095 19.000 0.010 0.000 0.818 262 A HN 0.524 nan 8.150 nan 0.000 0.445 263 I N -0.093 120.478 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 263 I C 2.664 178.780 176.117 -0.002 0.000 1.111 263 I CA 1.371 62.670 61.300 -0.001 0.000 1.382 263 I CB -0.454 37.545 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.359 115.700 0.001 0.000 2.354 264 S HA -0.205 4.265 4.470 -0.000 0.000 0.219 264 S C 2.065 176.666 174.600 0.002 0.000 1.035 264 S CA 2.222 60.423 58.200 0.001 0.000 1.037 264 S CB -0.694 62.509 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.137 117.693 114.554 0.003 0.000 2.597 265 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 265 T C 1.862 176.558 174.700 -0.007 0.000 1.053 265 T CA 1.541 63.642 62.100 0.002 0.000 1.165 265 T CB -0.478 68.391 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 2.595 178.885 176.300 -0.016 0.000 1.075 266 M CA 1.897 57.186 55.300 -0.018 0.000 1.087 266 M CB -1.433 31.159 32.600 -0.014 0.000 1.340 266 M HN 0.421 nan 8.290 nan 0.000 0.402 267 A N -1.042 121.773 122.820 -0.009 0.000 1.943 267 A HA 0.276 4.596 4.320 -0.000 0.000 0.213 267 A C 2.178 179.761 177.584 -0.002 0.000 1.181 267 A CA 1.164 53.197 52.037 -0.007 0.000 0.653 267 A CB -1.073 17.924 19.000 -0.006 0.000 0.833 267 A HN 0.470 nan 8.150 nan 0.000 0.451 268 G N 0.377 109.178 108.800 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 1.328 176.239 174.900 0.019 0.000 1.432 268 G CA 1.125 46.230 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.383 120.037 120.400 0.033 0.000 2.148 269 K HA -0.129 4.191 4.320 -0.000 0.000 0.213 269 K C 0.718 177.385 176.600 0.111 0.000 1.050 269 K CA 1.564 57.898 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 -2.908 117.534 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.076 176.415 176.300 0.066 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.237 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 1.534 56.253 54.840 -0.202 0.000 0.752 271 L CB -0.916 41.050 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.022 120.358 120.400 -0.034 0.000 2.419 272 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.165 272 D CA 0.524 54.513 54.000 -0.019 0.000 0.882 272 D CB 0.401 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 1.987 123.211 121.223 0.002 0.000 4.351 273 L HA -0.237 4.103 4.340 -0.000 0.000 0.410 273 L C 0.487 177.389 176.870 0.053 0.000 1.150 273 L CA 0.910 55.756 54.840 0.011 0.000 0.961 273 L CB -2.141 39.912 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.290 120.903 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.508 177.715 176.117 0.151 0.000 1.160 274 I CA 2.154 63.548 61.300 0.157 0.000 1.445 274 I CB 0.114 38.154 38.000 0.066 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.072 121.318 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.090 176.717 176.600 0.044 0.000 0.980 275 E CA -0.356 56.083 56.400 0.066 0.000 1.172 275 E CB 0.461 30.185 29.700 0.039 0.000 1.088 275 E HN 0.483 nan 8.360 nan 0.000 0.463 276 A N 1.003 123.847 122.820 0.041 0.000 2.540 276 A HA -0.016 4.304 4.320 -0.000 0.000 0.239 276 A C 0.246 177.845 177.584 0.026 0.000 1.061 276 A CA 0.257 52.307 52.037 0.021 0.000 0.758 276 A CB 0.273 19.276 19.000 0.006 0.000 0.991 276 A HN 0.316 nan 8.150 nan 0.000 0.502 277 D N 1.739 122.151 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.177 176.134 176.300 0.018 0.000 1.149 277 D CA 0.798 54.811 54.000 0.021 0.000 0.994 277 D CB 0.103 40.915 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.281 114.285 114.554 0.020 0.000 3.230 278 T HA 0.204 4.554 4.350 -0.000 0.000 0.390 278 T C -3.141 171.571 174.700 0.020 0.000 1.761 278 T CA -1.202 60.908 62.100 0.017 0.000 1.129 278 T CB 1.161 70.035 68.868 0.010 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.258 nan 4.420 nan 0.000 0.259 279 P C -0.950 176.366 177.300 0.027 0.000 1.155 279 P CA 0.324 63.442 63.100 0.029 0.000 0.759 279 P CB 0.075 31.790 31.700 0.025 0.000 0.753 280 L N 6.723 127.978 121.223 0.053 0.000 2.439 280 L HA 0.417 4.757 4.340 -0.000 0.000 0.270 280 L C -2.339 174.587 176.870 0.094 0.000 0.972 280 L CA -2.518 52.346 54.840 0.039 0.000 0.836 280 L CB 2.367 44.423 42.059 -0.004 0.000 1.255 280 L HN 0.141 nan 8.230 nan 0.000 0.404 281 P HA -0.035 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.421 177.300 0.146 0.000 1.183 281 P CA -0.067 63.073 63.100 0.065 0.000 0.763 281 P CB 0.787 32.501 31.700 0.024 0.000 0.807 282 V N 2.769 122.776 119.914 0.156 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.328 178.560 176.094 0.229 0.000 1.068 282 V CA 2.595 65.030 62.300 0.226 0.000 1.070 282 V CB -1.471 30.395 31.823 0.072 0.000 0.664 282 V HN 0.734 nan 8.190 nan 0.000 0.461 283 S N 0.352 116.116 115.700 0.107 0.000 2.387 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 283 S C 1.839 176.455 174.600 0.028 0.000 1.035 283 S CA 1.790 60.026 58.200 0.059 0.000 1.014 283 S CB -0.940 62.275 63.200 0.025 0.000 0.836 283 S HN 0.384 nan 8.310 nan 0.000 0.466 284 V N 0.325 120.216 119.914 -0.037 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.383 177.244 176.094 -0.387 0.000 1.149 284 V CA 1.385 63.551 62.300 -0.225 0.000 1.162 284 V CB -1.298 30.306 31.823 -0.365 0.000 0.756 284 V HN 0.555 nan 8.190 nan 0.000 0.523 285 F N -0.371 119.509 119.950 -0.118 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.566 177.338 175.800 -0.047 0.000 1.092 285 F CA 0.337 58.247 58.000 -0.150 0.000 1.279 285 F CB -0.506 38.392 39.000 -0.171 0.000 1.044 285 F HN 0.220 nan 8.300 nan 0.000 0.564 286 T N 0.509 115.134 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.321 172.432 174.700 0.088 0.000 0.769 286 T CA -0.419 61.732 62.100 0.084 0.000 1.981 286 T CB -2.022 66.884 68.868 0.064 0.000 1.714 286 T HN 0.133 nan 8.240 nan 0.000 0.632 287 P HA 0.408 nan 4.420 nan 0.000 0.270 287 P C -0.136 177.182 177.300 0.029 0.000 1.242 287 P CA -0.045 63.085 63.100 0.050 0.000 0.768 287 P CB 0.971 32.685 31.700 0.023 0.000 0.820 288 S N 2.952 118.667 115.700 0.024 0.000 2.618 288 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 288 S C 0.008 174.611 174.600 0.005 0.000 1.138 288 S CA -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.325 64.536 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.299 120.922 121.223 -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 1.377 56.211 54.840 -0.009 0.000 0.801 289 L CB -1.667 40.390 42.059 -0.004 0.000 1.676 289 L HN 1.280 nan 8.230 nan 0.000 0.883 290 A N 2.438 125.244 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.385 175.165 177.584 -0.056 0.000 1.143 290 A CA -0.438 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.252 19.236 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 0.228 291 P C -0.632 176.579 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.253 291 P CB 0.704 32.350 31.700 -0.090 0.000 1.486 292 R N 1.195 121.582 120.500 -0.188 0.000 2.539 292 R HA 0.535 4.875 4.340 -0.000 0.000 0.275 292 R C 0.801 176.784 176.300 -0.529 0.000 1.077 292 R CA -0.058 55.881 56.100 -0.268 0.000 1.097 292 R CB 0.652 30.840 30.300 -0.187 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.450 116.848 115.700 -0.504 0.000 2.578 293 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 293 S C -0.860 173.377 174.600 -0.604 0.000 1.091 293 S CA -0.763 57.085 58.200 -0.587 0.000 1.032 293 S CB 0.989 64.023 63.200 -0.277 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.465 120.784 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.821 176.769 175.900 0.081 0.000 1.587 294 Y CA -1.347 56.808 58.100 0.092 0.000 0.925 294 Y CB 0.768 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 0.740 121.461 120.500 0.369 0.000 2.714 295 R HA 0.210 4.550 4.340 -0.000 0.000 0.214 295 R C -3.145 173.246 176.300 0.152 0.000 1.474 295 R CA -1.172 55.060 56.100 0.220 0.000 1.435 295 R CB 0.767 31.230 30.300 0.271 0.000 1.517 295 R HN 0.381 nan 8.270 nan 0.000 0.748 296 P HA -0.047 nan 4.420 nan 0.000 0.281 296 P C 0.464 177.651 177.300 -0.189 0.000 1.274 296 P CA 0.595 63.684 63.100 -0.019 0.000 0.794 296 P CB 0.604 32.321 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 0.677 178.070 177.584 -0.319 0.000 1.293 297 A CA 1.688 53.560 52.037 -0.274 0.000 0.944 297 A CB -2.655 16.112 19.000 -0.389 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.132 117.792 119.950 -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 -0.098 38.894 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.821 123.436 120.570 0.075 0.000 2.752 299 I HA -0.070 4.100 4.170 -0.000 0.000 0.286 299 I C 0.637 176.675 176.117 -0.131 0.000 1.180 299 I CA 0.364 61.620 61.300 -0.073 0.000 1.404 299 I CB -0.040 37.815 38.000 -0.242 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.019 129.359 120.400 -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 -1.011 55.208 56.287 -0.113 0.000 0.980 300 K CB 0.603 33.054 32.500 -0.081 0.000 0.919 300 K HN 0.378 nan 8.250 nan 0.000 0.484 301 P HA -0.246 nan 4.420 nan 0.000 0.216 301 P C 0.843 178.026 177.300 -0.195 0.000 1.150 301 P CA 1.554 64.521 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 0.114 120.229 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.830 177.363 176.600 -0.113 0.000 1.010 302 E CA 0.842 57.173 56.400 -0.115 0.000 0.856 302 E CB -0.828 28.822 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.139 121.463 120.400 -0.127 0.000 2.349 303 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 303 D C -0.050 176.173 176.300 -0.127 0.000 1.029 303 D CA 0.819 54.756 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 0.646 123.338 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.992 178.346 177.584 -0.383 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.671 19.430 19.000 -0.402 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.594 121.895 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.401 177.944 176.600 -0.095 0.000 1.048 305 K CA 2.247 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 0.849 122.106 121.300 -0.071 0.000 3.435 306 W HA 0.269 4.929 4.660 -0.000 0.000 0.303 306 W C 0.019 176.501 176.519 -0.063 0.000 1.297 306 W CA -0.363 56.945 57.345 -0.062 0.000 1.638 306 W CB -0.971 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 1.424 121.741 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.750 175.175 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.639 38.084 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.589 128.281 122.820 -0.213 0.000 2.264 308 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 308 A C -0.543 176.800 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.953 19.801 19.000 -0.252 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.424 119.538 120.200 -0.397 0.000 2.288 309 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 309 E C -1.614 174.747 176.600 -0.399 0.000 0.885 309 E CA -0.622 55.557 56.400 -0.368 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 2.095 121.921 119.950 -0.207 0.000 2.666 310 F HA 0.140 4.667 4.527 -0.000 0.000 0.362 310 F C 0.090 175.814 175.800 -0.127 0.000 1.190 310 F CA -0.713 57.177 58.000 -0.183 0.000 1.328 310 F CB -0.856 38.045 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.618 120.319 118.700 0.001 0.000 2.498 311 N HA 0.030 4.770 4.740 -0.000 0.000 0.277 311 N C -0.573 174.939 175.510 0.003 0.000 1.208 311 N CA -0.430 52.617 53.050 -0.005 0.000 1.029 311 N CB -0.126 38.338 38.487 -0.038 0.000 1.403 311 N HN 0.343 nan 8.380 nan 0.000 0.500 312 N N 0.674 119.384 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.206 175.298 175.510 -0.011 0.000 1.140 312 N CA -0.759 52.292 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 0.157 nan 8.380 nan 0.000 0.489 313 S N 1.047 116.738 115.700 -0.015 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 1.822 60.012 58.200 -0.017 0.000 1.158 313 S CB -0.556 62.634 63.200 -0.017 0.000 1.130 313 S HN 0.905 nan 8.310 nan 0.000 0.413 314 S N 1.920 117.599 115.700 -0.036 0.000 2.546 314 S HA 0.483 4.953 4.470 -0.000 0.000 0.265 314 S C 0.287 174.846 174.600 -0.069 0.000 1.190 314 S CA -0.862 57.306 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 -0.266 120.903 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.206 176.601 176.870 -0.106 0.000 1.129 315 L CA -0.713 54.064 54.840 -0.105 0.000 0.803 315 L CB 0.079 42.064 42.059 -0.123 0.000 1.161 315 L HN 0.585 nan 8.230 nan 0.000 0.462 316 I N 0.912 121.403 120.570 -0.131 0.000 2.976 316 I HA 0.256 4.426 4.170 -0.000 0.000 0.328 316 I C -0.155 175.882 176.117 -0.132 0.000 1.396 316 I CA -0.378 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.155 38.029 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.447 122.888 120.500 -0.098 0.000 2.446 317 R HA 0.160 4.500 4.340 -0.000 0.000 0.314 317 R C 0.007 176.272 176.300 -0.060 0.000 1.003 317 R CA 0.163 56.218 56.100 -0.075 0.000 1.018 317 R CB 0.453 30.718 30.300 -0.058 0.000 0.945 317 R HN 0.191 nan 8.270 nan 0.000 0.419 318 K N 1.301 121.669 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.652 175.945 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.575 34.047 32.500 -0.047 0.000 1.252 318 K HN 0.560 nan 8.250 nan 0.000 0.471 319 T N -0.442 114.118 114.554 0.010 0.000 2.887 319 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 319 T C -0.902 173.827 174.700 0.048 0.000 1.087 319 T CA -1.069 61.050 62.100 0.032 0.000 1.009 319 T CB 0.870 69.749 68.868 0.018 0.000 1.203 319 T HN 0.658 nan 8.240 nan 0.000 0.518 320 L N -2.113 119.154 121.223 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 53.956 54.840 0.094 0.000 0.984 320 L CB 1.466 43.593 42.059 0.113 0.000 1.519 320 L HN 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.428 118.033 114.554 0.085 0.000 2.775 321 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 321 T C -0.878 173.911 174.700 0.148 0.000 0.909 321 T CA 0.425 62.562 62.100 0.061 0.000 1.081 321 T CB -0.450 68.427 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.774 124.132 120.300 0.096 0.000 2.402 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.332 322 Y C 0.592 176.591 175.900 0.164 0.000 0.960 322 Y CA -1.043 57.157 58.100 0.167 0.000 1.228 322 Y CB 0.628 39.260 38.460 0.286 0.000 1.120 322 Y HN 0.667 nan 8.280 nan 0.000 0.491 323 S N 4.205 119.621 115.700 -0.474 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.052 175.521 174.600 -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 0.858 109.576 108.800 -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 0.799 175.619 174.900 -0.132 0.000 1.422 324 G CA 0.932 45.970 45.100 -0.103 0.000 0.938 324 G HN 2.247 nan 8.290 nan 0.000 0.754 325 A N 0.871 123.582 122.820 -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 -0.345 0.000 0.755 325 A CB -0.070 18.679 19.000 -0.419 0.000 0.954 325 A HN 1.280 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 -0.397 0.000 0.956 326 T CA 0.359 62.271 62.100 -0.314 0.000 0.987 326 T CB -0.048 68.737 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.979 121.330 120.300 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 -1.284 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.123 39.647 38.460 0.106 0.000 1.277 327 Y HN 0.667 nan 8.280 nan 0.000 0.490 328 T N 0.905 115.591 114.554 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 -0.691 61.472 62.100 0.104 0.000 0.963 328 T CB -0.085 68.819 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.810 123.747 119.914 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 -0.255 62.043 62.300 -0.003 0.000 1.077 329 V CB 1.517 33.319 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.905 121.677 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.522 176.446 176.000 -0.128 0.000 0.974 330 Q CA 0.376 56.135 55.803 -0.074 0.000 0.846 330 Q CB 0.123 28.829 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 0.739 177.535 176.870 -0.124 0.000 1.234 331 L CA 0.565 55.292 54.840 -0.188 0.000 0.911 331 L CB -2.321 39.508 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 0.055 4.015 3.960 -0.000 0.000 0.374 332 G HA3 0.055 4.015 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 1.407 178.707 177.300 0.001 0.000 1.161 333 P CA 1.961 65.046 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 -0.276 108.530 108.800 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 1.345 64.455 63.100 0.017 0.000 0.777 335 P CB -0.006 31.690 31.700 -0.006 0.000 0.814 336 T N -1.248 113.323 114.554 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 1.115 121.591 120.500 -0.040 0.000 2.449 337 R HA 0.461 4.801 4.340 -0.000 0.000 0.296 337 R C 0.890 177.143 176.300 -0.078 0.000 1.047 337 R CA -0.410 55.627 56.100 -0.104 0.000 1.018 337 R CB 0.705 30.928 30.300 -0.129 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.731 120.575 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.413 176.509 176.094 0.003 0.000 1.054 338 V CA -1.247 61.040 62.300 -0.022 0.000 0.928 338 V CB 1.718 33.552 31.823 0.018 0.000 1.007 338 V HN 0.581 nan 8.190 nan 0.000 0.437 339 I N 3.345 123.991 120.570 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 0.549 61.973 61.300 0.207 0.000 1.415 339 I CB 0.020 38.222 38.000 0.337 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.007 126.512 120.400 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 -0.132 53.957 54.000 0.147 0.000 0.907 340 D CB 1.158 42.040 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.138 120.581 119.600 -0.261 0.000 2.447 341 M HA 0.028 4.508 4.480 -0.000 0.000 0.266 341 M C 0.429 176.521 176.300 -0.346 0.000 1.120 341 M CA 0.397 55.407 55.300 -0.483 0.000 1.166 341 M CB -0.749 31.605 32.600 -0.410 0.000 1.349 341 M HN 0.230 nan 8.290 nan 0.000 0.463 342 N N 1.380 119.984 118.700 -0.161 0.000 2.444 342 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 342 N C 0.344 175.855 175.510 0.002 0.000 1.255 342 N CA 0.593 53.625 53.050 -0.029 0.000 0.933 342 N CB 0.466 38.934 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.071 123.926 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.177 177.810 177.584 0.081 0.000 1.455 343 A CA 0.467 52.554 52.037 0.084 0.000 0.730 343 A CB -1.416 17.643 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.883 120.530 119.600 0.077 0.000 5.138 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.619 344 M C 0.316 176.748 176.300 0.221 0.000 2.259 344 M CA 0.110 55.429 55.300 0.032 0.000 0.432 344 M CB -0.145 32.282 32.600 -0.288 0.000 1.469 344 M HN 1.183 nan 8.290 nan 0.000 0.661 345 I N 2.077 122.750 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.022 176.204 176.117 0.182 0.000 0.888 345 I CA 0.354 61.739 61.300 0.141 0.000 2.763 345 I CB -0.793 37.236 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.625 125.103 120.400 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 -0.102 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 -0.995 57.240 58.200 0.059 0.000 0.953 347 S CB 1.292 64.513 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.578 121.490 119.914 -0.002 0.000 2.320 348 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 348 V C -0.971 175.082 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.889 62.300 -0.025 0.000 0.813 348 V CB 0.193 31.996 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.231 124.405 121.223 -0.082 0.000 2.418 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.274 349 L C 0.779 177.499 176.870 -0.250 0.000 1.135 349 L CA 0.999 55.730 54.840 -0.182 0.000 0.870 349 L CB 1.168 43.072 42.059 -0.259 0.000 1.154 349 L HN 0.606 nan 8.230 nan 0.000 0.462 350 T N 5.144 119.557 114.554 -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 -0.652 61.310 62.100 -0.230 0.000 1.155 350 T CB 0.043 68.815 68.868 -0.161 0.000 1.060 350 T HN 0.305 nan 8.240 nan 0.000 0.513 351 L N 5.804 126.860 121.223 -0.278 0.000 2.407 351 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 351 L C 0.184 176.956 176.870 -0.163 0.000 1.110 351 L CA -0.039 54.684 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 4.555 124.816 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.822 4.640 -0.000 0.000 0.250 352 D C -1.092 175.194 176.300 -0.024 0.000 1.093 352 D CA -0.306 53.585 54.000 -0.182 0.000 0.882 352 D CB 1.637 42.208 40.800 -0.382 0.000 1.185 352 D HN 0.358 nan 8.370 nan 0.000 0.437 353 V N 3.766 123.729 119.914 0.081 0.000 2.276 353 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 353 V C -0.128 176.072 176.094 0.176 0.000 1.032 353 V CA -0.575 61.761 62.300 0.060 0.000 0.810 353 V CB 0.386 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 1.841 117.612 115.700 0.118 0.000 2.540 354 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 354 S C 0.692 175.356 174.600 0.107 0.000 1.123 354 S CA 0.317 58.614 58.200 0.162 0.000 0.907 354 S CB 2.056 65.346 63.200 0.149 0.000 1.081 354 S HN 1.875 nan 8.310 nan 0.000 0.476 355 G N 1.352 110.228 108.800 0.126 0.000 2.257 355 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 355 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 355 G C 0.387 175.325 174.900 0.062 0.000 0.984 355 G CA 0.561 45.712 45.100 0.086 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.142 116.714 114.554 0.029 0.000 2.913 356 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 356 T C 1.146 175.818 174.700 -0.045 0.000 1.029 356 T CA -0.547 61.528 62.100 -0.041 0.000 1.104 356 T CB 0.370 69.155 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 -0.026 0.000 2.948 357 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 357 I C 0.266 176.375 176.117 -0.014 0.000 1.226 357 I CA 0.181 61.484 61.300 0.004 0.000 1.413 357 I CB 0.564 38.573 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.501 129.766 121.223 0.070 0.000 2.490 358 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 358 L C -2.300 174.586 176.870 0.026 0.000 1.232 358 L CA -1.045 53.895 54.840 0.167 0.000 0.892 358 L CB 1.338 43.704 42.059 0.511 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.032 nan 4.420 nan 0.000 0.249 359 P C 0.620 178.047 177.300 0.211 0.000 1.686 359 P CA 0.191 63.355 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 -0.173 120.172 120.300 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 -0.218 57.913 58.100 0.052 0.000 1.335 360 Y CB -0.788 37.722 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.859 122.585 120.400 0.544 0.000 2.097 361 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 361 D C 1.585 177.942 176.300 0.094 0.000 0.984 361 D CA 1.995 56.120 54.000 0.207 0.000 0.826 361 D CB -0.635 40.308 40.800 0.238 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.058 115.676 114.554 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 0.330 62.468 62.100 0.063 0.000 1.559 362 T CB -1.211 67.692 68.868 0.058 0.000 1.141 362 T HN 0.246 nan 8.240 nan 0.000 0.417 363 N N 3.898 122.631 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.863 173.670 175.510 0.039 0.000 1.287 363 N CA -1.276 51.799 53.050 0.042 0.000 0.948 363 N CB 0.861 39.367 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 0.718 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 0.045 120.456 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.870 178.171 176.300 0.002 0.000 0.990 365 D CA 0.754 54.760 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 -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.390 121.595 121.223 -0.030 0.000 2.017 366 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 366 L C 1.257 178.170 176.870 0.072 0.000 1.073 366 L CA 1.003 55.774 54.840 -0.115 0.000 0.745 366 L CB -0.913 41.037 42.059 -0.181 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.683 114.118 115.700 0.169 0.000 2.576 367 S HA 0.171 4.641 4.470 -0.000 0.000 0.272 367 S C 1.023 175.727 174.600 0.173 0.000 1.352 367 S CA 0.682 59.027 58.200 0.242 0.000 1.021 367 S CB 0.299 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 0.516 115.177 114.554 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 1.294 nan 8.240 nan 0.000 0.911 369 S N 2.666 118.497 115.700 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 1.108 64.502 63.200 0.323 0.000 0.956 369 S HN 1.118 nan 8.310 nan 0.000 0.490 370 V N 1.784 121.663 119.914 -0.058 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.120 173.858 176.094 -0.194 0.000 1.030 370 V CA -1.975 60.255 62.300 -0.117 0.000 1.033 370 V CB -0.336 31.399 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.453 nan 4.420 nan 0.000 0.268 371 P C -0.375 176.791 177.300 -0.223 0.000 1.205 371 P CA 0.248 63.104 63.100 -0.407 0.000 0.771 371 P CB 1.386 32.852 31.700 -0.391 0.000 0.858 372 A N 3.393 126.097 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.360 176.198 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.121 0.000 0.710 372 A CB 0.631 19.486 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.032 122.926 119.950 -0.094 0.000 2.506 373 F HA 0.480 5.006 4.527 -0.000 0.000 0.371 373 F C 0.332 176.105 175.800 -0.044 0.000 1.078 373 F CA 0.485 58.456 58.000 -0.048 0.000 1.195 373 F CB 1.087 40.075 39.000 -0.020 0.000 1.099 373 F HN 0.795 nan 8.300 nan 0.000 0.548 374 V N 7.323 126.873 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.245 174.589 176.094 -0.434 0.000 1.052 374 V CA -0.950 61.116 62.300 -0.389 0.000 0.885 374 V CB 1.570 33.265 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.790 126.876 121.223 -0.229 0.000 2.453 375 L HA 0.587 4.927 4.340 -0.000 0.000 0.261 375 L C -0.011 176.847 176.870 -0.020 0.000 1.179 375 L CA 0.290 55.064 54.840 -0.110 0.000 0.813 375 L CB 1.137 43.197 42.059 0.001 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.240 122.852 120.570 0.070 0.000 2.540 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.280 376 I C -0.668 175.576 176.117 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 0.390 4.730 4.340 -0.000 0.000 0.257 377 Q C -0.539 175.578 176.000 0.195 0.000 0.955 377 Q CA -0.337 55.550 55.803 0.139 0.000 0.936 377 Q CB 1.131 29.919 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 0.662 175.522 174.700 0.265 0.000 1.014 378 T CA -0.744 61.521 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 0.903 116.714 115.700 0.184 0.000 2.331 379 S HA 0.053 4.523 4.470 -0.000 0.000 0.208 379 S C 1.103 175.819 174.600 0.194 0.000 1.032 379 S CA 0.176 58.486 58.200 0.182 0.000 0.991 379 S CB -0.258 63.007 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.564 124.515 119.914 0.061 0.000 2.843 380 V HA 0.125 4.245 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 -1.547 60.710 62.300 -0.071 0.000 1.116 380 V CB 0.351 32.144 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.074 nan 4.420 nan 0.000 0.265 381 P C 0.213 177.269 177.300 -0.406 0.000 1.187 381 P CA 0.143 62.565 63.100 -1.130 0.000 0.766 381 P CB 0.409 31.574 31.700 -0.892 0.000 0.820 382 I N 2.120 122.536 120.570 -0.257 0.000 3.427 382 I HA -0.186 3.984 4.170 -0.000 0.000 0.272 382 I C 0.688 176.632 176.117 -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 2.180 121.824 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.182 176.109 176.000 -0.121 0.000 1.145 383 Q CA 1.115 56.814 55.803 -0.173 0.000 0.943 383 Q CB -1.169 27.463 28.738 -0.177 0.000 1.338 383 Q HN 0.707 nan 8.270 nan 0.000 0.492 384 Q N -1.278 118.462 119.800 -0.100 0.000 1.321 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.129 384 Q C -1.068 174.902 176.000 -0.049 0.000 0.724 384 Q CA 0.458 56.214 55.803 -0.078 0.000 0.623 384 Q CB 0.778 29.451 28.738 -0.109 0.000 1.107 384 Q HN 0.284 nan 8.270 nan 0.000 0.324 385 V N 1.840 121.743 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.537 176.652 176.094 0.036 0.000 1.058 385 V CA 0.780 63.101 62.300 0.035 0.000 0.897 385 V CB 1.017 32.922 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.516 119.073 114.554 0.005 0.000 2.755 386 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 386 T C 0.780 175.466 174.700 -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 -1.532 113.008 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.367 176.045 174.700 -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 70.590 68.868 -0.031 0.000 1.118 387 T HN 0.110 nan 8.240 nan 0.000 0.497 388 A N 1.614 124.404 122.820 -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 55.151 52.037 -0.044 0.000 0.697 388 A CB -1.714 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.719 nan 8.150 nan 0.000 0.497 389 A N -1.294 121.519 122.820 -0.011 0.000 2.178 389 A HA -0.169 4.151 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 1.645 53.683 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 -0.700 118.007 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.002 175.545 175.510 0.055 0.000 1.016 390 N CA 0.032 53.101 53.050 0.031 0.000 0.871 390 N CB -0.030 38.472 38.487 0.025 0.000 0.987 390 N HN 0.419 nan 8.380 nan 0.000 0.431 391 I N 2.023 122.617 120.570 0.041 0.000 2.471 391 I HA -0.074 4.096 4.170 -0.000 0.000 0.294 391 I C 1.288 177.442 176.117 0.061 0.000 1.123 391 I CA -0.194 61.143 61.300 0.061 0.000 1.336 391 I CB 0.873 38.880 38.000 0.011 0.000 1.430 391 I HN 0.168 nan 8.210 nan 0.000 0.533 392 T N 5.081 119.686 114.554 0.086 0.000 2.505 392 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 392 T C 0.751 175.485 174.700 0.057 0.000 1.158 392 T CA 1.863 64.006 62.100 0.072 0.000 1.190 392 T CB 0.065 68.984 68.868 0.084 0.000 0.864 392 T HN 0.768 nan 8.240 nan 0.000 0.413 393 A N -0.647 122.211 122.820 0.063 0.000 2.583 393 A HA 0.767 5.087 4.320 -0.000 0.000 0.289 393 A C -1.696 175.920 177.584 0.054 0.000 1.151 393 A CA -0.757 51.311 52.037 0.053 0.000 0.695 393 A CB 1.362 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 1.018 121.615 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.760 175.379 176.117 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 40.374 38.000 0.017 0.000 1.218 394 I HN 0.564 nan 8.210 nan 0.000 0.442 395 T N 5.331 119.902 114.554 0.027 0.000 2.767 395 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 395 T C 0.124 174.822 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.751 62.100 0.038 0.000 0.996 395 T CB 1.887 70.788 68.868 0.054 0.000 0.927 395 T HN 0.178 nan 8.240 nan 0.000 0.456 396 V N 5.090 125.002 119.914 -0.003 0.000 2.287 396 V HA 0.055 4.175 4.120 -0.000 0.000 0.246 396 V C 1.523 177.605 176.094 -0.019 0.000 1.165 396 V CA 0.114 62.348 62.300 -0.110 0.000 1.088 396 V CB 0.463 32.067 31.823 -0.365 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.755 123.687 119.914 0.030 0.000 3.078 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 397 V C 1.042 177.216 176.094 0.133 0.000 1.122 397 V CA 1.854 64.226 62.300 0.120 0.000 1.141 397 V CB 0.440 32.393 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.846 114.907 115.700 0.087 0.000 2.240 398 S HA 0.584 5.054 4.470 -0.000 0.000 0.234 398 S C -0.501 174.101 174.600 0.005 0.000 0.850 398 S CA -0.102 58.144 58.200 0.078 0.000 1.015 398 S CB 0.119 63.393 63.200 0.124 0.000 1.268 398 S HN 0.762 nan 8.310 nan 0.000 0.384 399 A N 3.002 125.780 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.426 177.994 177.584 -0.027 0.000 1.097 399 A CA -0.138 51.810 52.037 -0.147 0.000 0.849 399 A CB 0.834 19.604 19.000 -0.384 0.000 1.142 399 A HN 1.580 nan 8.150 nan 0.000 0.499 400 A N 0.473 123.264 122.820 -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 -0.018 0.000 0.894 400 A CB -0.145 18.827 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 0.729 45.859 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.200 124.039 122.820 0.033 0.000 2.435 402 A HA 0.290 4.610 4.320 -0.000 0.000 0.686 402 A C 0.780 178.369 177.584 0.008 0.000 0.138 402 A CA 0.216 52.266 52.037 0.021 0.000 0.025 402 A CB -1.666 17.335 19.000 0.001 0.000 3.974 402 A HN 2.614 nan 8.150 nan 0.000 0.548 403 S N 1.653 117.377 115.700 0.040 0.000 2.611 403 S HA 0.523 4.993 4.470 -0.000 0.000 0.252 403 S C 0.946 175.576 174.600 0.049 0.000 1.369 403 S CA 0.221 58.458 58.200 0.062 0.000 0.975 403 S CB 0.708 63.970 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.514 123.412 122.820 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 17.854 19.000 0.421 0.000 1.139 404 A HN 1.114 nan 8.150 nan 0.000 0.598 405 I N 0.077 120.761 120.570 0.189 0.000 2.481 405 I HA 0.072 4.242 4.170 -0.000 0.000 0.304 405 I C -0.050 176.150 176.117 0.138 0.000 1.368 405 I CA 0.272 61.757 61.300 0.309 0.000 0.671 405 I CB -0.566 37.573 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.577 118.144 118.700 0.034 0.000 1.895 406 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 406 N C 0.595 176.056 175.510 -0.081 0.000 1.350 406 N CA 0.075 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.518 39.002 38.487 -0.005 0.000 1.195 406 N HN 0.134 nan 8.380 nan 0.000 0.489 407 L N 1.707 122.825 121.223 -0.175 0.000 2.529 407 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 407 L C 1.259 177.893 176.870 -0.393 0.000 1.113 407 L CA 0.466 55.105 54.840 -0.336 0.000 0.861 407 L CB -0.548 41.162 42.059 -0.581 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.093 122.748 122.820 -0.275 0.000 2.251 408 A HA 0.608 4.928 4.320 -0.000 0.000 0.278 408 A C -0.069 177.464 177.584 -0.085 0.000 1.206 408 A CA -0.111 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.567 19.407 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.208 120.339 120.570 -0.039 0.000 2.785 409 I HA 0.120 4.290 4.170 -0.000 0.000 0.277 409 I C -1.267 174.865 176.117 0.026 0.000 1.591 409 I CA -0.406 60.899 61.300 0.008 0.000 1.150 409 I CB 0.680 38.683 38.000 0.004 0.000 1.550 409 I HN 0.805 nan 8.210 nan 0.000 0.414 410 N N 5.603 124.334 118.700 0.052 0.000 2.452 410 N HA 0.317 5.057 4.740 -0.000 0.000 0.266 410 N C -0.371 175.167 175.510 0.045 0.000 1.209 410 N CA 0.048 53.133 53.050 0.060 0.000 0.929 410 N CB 1.004 39.538 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.814 124.754 119.914 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 -0.380 61.942 62.300 0.037 0.000 1.302 411 V CB -1.068 30.777 31.823 0.037 0.000 1.496 411 V HN 0.903 nan 8.190 nan 0.000 0.628 412 R N 0.566 121.089 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.053 177.378 176.300 0.042 0.000 1.014 412 R CA 0.272 56.394 56.100 0.036 0.000 0.616 412 R CB -1.461 28.858 30.300 0.030 0.000 1.598 412 R HN 0.949 nan 8.270 nan 0.000 0.400 413 G N 0.824 109.655 108.800 0.051 0.000 5.229 413 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G C 0.203 175.148 174.900 0.075 0.000 1.380 413 G CA 0.449 45.586 45.100 0.060 0.000 0.933 413 G HN 0.452 nan 8.290 nan 0.000 0.731 414 Q N 3.267 123.104 119.800 0.061 0.000 2.364 414 Q HA 0.246 4.586 4.340 -0.000 0.000 0.263 414 Q C -2.086 173.944 176.000 0.049 0.000 1.276 414 Q CA -0.764 55.073 55.803 0.057 0.000 0.923 414 Q CB 0.401 29.167 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 0.246 63.337 63.100 -0.016 0.000 0.763 415 P CB 0.761 32.367 31.700 -0.157 0.000 0.816 416 R N 2.695 123.220 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.097 176.529 176.300 0.221 0.000 1.219 416 R CA -0.850 55.323 56.100 0.122 0.000 1.121 416 R CB 0.187 30.543 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.784 120.715 119.950 -0.031 0.000 2.404 417 F HA 0.265 4.792 4.527 -0.000 0.000 0.354 417 F C 0.885 176.676 175.800 -0.015 0.000 1.122 417 F CA -0.442 57.541 58.000 -0.029 0.000 1.080 417 F CB 1.000 39.988 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.280 123.971 118.700 -0.016 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 -0.069 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.910 124.545 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.025 175.293 176.300 0.029 0.000 1.706 419 M CA 1.009 56.355 55.300 0.076 0.000 1.001 419 M CB -0.952 31.677 32.600 0.048 0.000 2.123 419 M HN 0.463 nan 8.290 nan 0.000 0.494 420 L N 3.948 125.232 121.223 0.102 0.000 2.409 420 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 420 L C -1.412 175.603 176.870 0.241 0.000 0.992 420 L CA -0.673 54.199 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 0.505 nan 8.230 nan 0.000 0.411 421 H N 3.366 122.436 119.070 0.000 0.000 2.685 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.307 421 H C -0.719 174.597 175.328 -0.021 0.000 1.017 421 H CA -0.969 55.071 56.048 -0.014 0.000 1.237 421 H CB 1.209 30.955 29.762 -0.026 0.000 1.409 421 H HN 0.511 nan 8.280 nan 0.000 0.488 422 L N 2.658 123.935 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.152 177.005 176.870 -0.027 0.000 1.198 422 L CA -0.475 54.390 54.840 0.042 0.000 0.814 422 L CB 0.301 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 0.308 120.084 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.779 174.183 176.000 -0.064 0.000 0.879 423 Q CA -0.623 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.874 29.575 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.749 124.494 122.820 -0.126 0.000 2.257 424 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 424 A C 0.051 177.650 177.584 0.025 0.000 1.201 424 A CA -0.238 51.823 52.037 0.039 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 0.609 115.214 114.554 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 -0.671 68.210 68.868 0.022 0.000 0.805 425 T HN 0.500 nan 8.240 nan 0.000 0.647 426 F N 3.194 123.161 119.950 0.027 0.000 2.635 426 F HA 0.209 4.736 4.527 -0.000 0.000 0.379 426 F C 0.182 175.993 175.800 0.018 0.000 1.094 426 F CA 0.256 58.281 58.000 0.041 0.000 1.300 426 F CB 0.560 39.594 39.000 0.056 0.000 1.035 426 F HN 0.152 nan 8.300 nan 0.000 0.581 427 E N 6.773 126.285 120.200 -1.147 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.838 176.850 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.831 0.000 0.782 427 E CB 1.525 31.003 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.842 121.909 120.500 -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 -0.190 0.000 1.085 428 R CA 2.797 58.718 56.100 -0.300 0.000 0.890 428 R CB -0.265 29.966 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.054 120.043 120.200 -0.171 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 29.428 29.700 -0.071 0.000 0.795 429 E HN 0.491 nan 8.360 nan 0.000 0.492 430 T N -0.432 114.040 114.554 -0.137 0.000 2.946 430 T HA -0.076 4.274 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 0.724 62.783 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 2.078 122.667 120.570 0.032 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.024 176.112 176.117 0.032 0.000 1.532 431 I CA -0.423 60.931 61.300 0.090 0.000 1.163 431 I CB -0.108 38.032 38.000 0.232 0.000 1.339 431 I HN 0.164 nan 8.210 nan 0.000 0.449 432 T N 0.701 115.256 114.554 0.002 0.000 2.930 432 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 432 T C 1.300 175.987 174.700 -0.022 0.000 1.045 432 T CA 0.800 62.893 62.100 -0.012 0.000 1.134 432 T CB 1.420 70.278 68.868 -0.016 0.000 0.961 432 T HN 0.692 nan 8.240 nan 0.000 0.545 433 G N 2.980 111.759 108.800 -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 45.075 45.100 -0.051 0.000 0.942 433 G HN 0.814 nan 8.290 nan 0.000 0.671 434 I N 3.768 124.294 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.548 175.441 176.117 -0.212 0.000 1.225 434 I CA 0.327 61.566 61.300 -0.101 0.000 1.536 434 I CB 0.036 38.007 38.000 -0.049 0.000 1.561 434 I HN 0.211 nan 8.210 nan 0.000 0.666 435 P HA -0.145 nan 4.420 nan 0.000 0.215 435 P C -0.544 176.163 177.300 -0.988 0.000 1.153 435 P CA 1.594 64.233 63.100 -0.770 0.000 0.853 435 P CB 0.121 31.166 31.700 -1.092 0.000 0.788 436 Y N -1.087 119.173 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.039 175.777 175.900 -0.271 0.000 0.968 436 Y CA -1.233 56.772 58.100 -0.158 0.000 1.123 436 Y CB 1.515 40.011 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.315 123.530 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.226 173.348 176.117 -0.905 0.000 1.425 437 I CA -0.708 60.315 61.300 -0.462 0.000 1.039 437 I CB 1.854 39.747 38.000 -0.178 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.520 124.837 120.300 0.028 0.000 2.492 438 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 438 Y C 0.464 176.342 175.900 -0.037 0.000 0.997 438 Y CA -0.970 57.120 58.100 -0.016 0.000 1.025 438 Y CB 2.118 40.552 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.831 111.687 108.800 0.092 0.000 2.353 439 G HA2 0.546 4.506 3.960 -0.000 0.000 0.284 439 G HA3 0.546 4.506 3.960 -0.000 0.000 0.284 439 G C -1.411 173.431 174.900 -0.096 0.000 1.172 439 G CA -0.491 44.581 45.100 -0.046 0.000 0.854 439 G HN 0.624 nan 8.290 nan 0.000 0.485 440 L N 2.720 123.666 121.223 -0.463 0.000 2.439 440 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 440 L C 0.390 177.068 176.870 -0.321 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.195 0.000 0.836 440 L CB 2.041 44.077 42.059 -0.040 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.228 111.052 108.800 0.041 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 0.098 175.014 174.900 0.027 0.000 0.893 441 G CA -0.001 45.197 45.100 0.164 0.000 1.756 441 G HN 0.585 nan 8.290 nan 0.000 0.549 442 T N 0.277 114.812 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.424 174.700 0.013 0.000 1.254 442 T CA -0.217 61.893 62.100 0.017 0.000 0.913 442 T CB 0.629 69.502 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.627 119.298 119.950 -0.041 0.000 2.667 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.288 443 F C 0.423 176.181 175.800 -0.069 0.000 1.086 443 F CA -0.201 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 0.118 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 54.735 54.840 0.015 0.000 1.096 444 L CB -1.517 40.397 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.502 124.177 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.626 175.668 176.117 0.296 0.000 1.114 445 I CA -1.440 59.974 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 -0.039 nan 4.420 nan 0.000 0.245 446 P C -0.213 177.178 177.300 0.152 0.000 1.212 446 P CA 0.531 63.854 63.100 0.371 0.000 0.774 446 P CB 0.240 32.149 31.700 0.349 0.000 0.999 447 S N -1.412 114.358 115.700 0.117 0.000 2.305 447 S HA 0.245 4.715 4.470 -0.000 0.000 0.208 447 S C -3.201 171.422 174.600 0.038 0.000 0.797 447 S CA -1.219 57.017 58.200 0.059 0.000 1.007 447 S CB 0.192 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 0.320 nan 4.420 nan 0.000 0.265 448 P C -0.312 176.981 177.300 -0.013 0.000 1.193 448 P CA 0.469 63.567 63.100 -0.003 0.000 0.765 448 P CB 0.795 32.486 31.700 -0.014 0.000 0.823 449 T N 1.123 115.663 114.554 -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 1.021 69.887 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.198 116.887 115.700 -0.019 0.000 2.399 450 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 450 S C 2.360 176.974 174.600 0.024 0.000 1.022 450 S CA 1.523 59.714 58.200 -0.015 0.000 0.983 450 S CB -0.422 62.792 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.555 117.279 115.700 0.041 0.000 2.368 451 S HA -0.018 4.452 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 0.868 59.116 58.200 0.079 0.000 0.999 451 S CB -0.408 62.821 63.200 0.048 0.000 0.844 451 S HN 0.275 nan 8.310 nan 0.000 0.459 452 S N 2.442 118.138 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.446 174.961 174.600 -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 0.425 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 -0.379 174.532 175.510 -0.998 0.000 1.148 453 N CA 0.449 53.095 53.050 -0.672 0.000 0.883 453 N CB 0.430 38.360 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.218 118.716 119.950 -0.027 0.000 2.936 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 454 F C 1.652 177.436 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.645 58.000 -0.023 0.000 1.104 454 F CB 0.152 39.142 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.127 115.873 115.700 0.076 0.000 2.327 455 S HA -0.062 4.408 4.470 -0.000 0.000 0.213 455 S C 0.457 175.050 174.600 -0.011 0.000 1.032 455 S CA 0.788 59.002 58.200 0.023 0.000 0.960 455 S CB -0.393 62.785 63.200 -0.037 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.920 119.595 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.856 172.637 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.110 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 -0.022 nan 4.420 nan 0.000 0.269 457 P C 0.085 177.521 177.300 0.226 0.000 1.461 457 P CA 0.377 63.514 63.100 0.062 0.000 0.809 457 P CB 0.007 31.730 31.700 0.038 0.000 1.503 458 T N 0.886 115.490 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 458 T C 1.081 175.794 174.700 0.022 0.000 0.942 458 T CA -0.193 61.935 62.100 0.046 0.000 1.161 458 T CB -0.309 68.552 68.868 -0.011 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.631 126.859 121.223 0.008 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.022 178.836 176.870 -0.092 0.000 1.150 459 L CA -0.226 54.562 54.840 -0.087 0.000 0.917 459 L CB -0.233 41.727 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.047 119.509 119.600 -0.073 0.000 2.446 460 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 460 M C 1.705 177.893 176.300 -0.187 0.000 1.066 460 M CA 1.049 56.301 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 -0.044 120.192 120.400 -0.274 0.000 2.351 461 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 461 D C 0.977 177.180 176.300 -0.162 0.000 0.968 461 D CA 0.534 54.307 54.000 -0.378 0.000 0.899 461 D CB -0.638 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 1.687 122.899 121.223 -0.019 0.000 2.404 463 L HA 0.312 4.652 4.340 -0.000 0.000 0.277 463 L C 0.209 177.037 176.870 -0.070 0.000 1.184 463 L CA -0.826 54.004 54.840 -0.016 0.000 1.013 463 L CB -0.095 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 4.359 125.568 121.223 -0.022 0.000 2.416 464 L HA 0.326 4.666 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 0.759 55.565 54.840 -0.056 0.000 0.845 464 L CB 1.205 43.308 42.059 0.073 0.000 1.119 464 L HN 0.442 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 0.288 4.638 4.350 -0.000 0.000 0.367 465 T C -0.532 174.029 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.720 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 4.204 123.966 119.914 -0.254 0.000 2.614 466 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 466 V C 0.038 176.029 176.094 -0.172 0.000 1.049 466 V CA 0.078 62.269 62.300 -0.182 0.000 1.038 466 V CB 0.879 32.602 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.826 120.310 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.678 171.985 174.700 -0.061 0.000 1.048 467 T CA -1.734 60.312 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 0.162 177.446 177.300 -0.027 0.000 1.173 468 P CA -0.046 63.032 63.100 -0.036 0.000 0.768 468 P CB 0.799 32.475 31.700 -0.040 0.000 0.758 469 V N 7.139 127.042 119.914 -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 -0.267 62.021 62.300 -0.020 0.000 1.270 469 V CB -0.838 30.972 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.262 126.475 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.379 177.243 176.870 -0.009 0.000 1.090 470 L CA -0.096 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.169 42.217 42.059 -0.019 0.000 1.704 470 L HN 0.301 nan 8.230 nan 0.000 0.713 471 L N 1.669 122.887 121.223 -0.007 0.000 2.021 471 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 471 L C 2.591 179.463 176.870 0.002 0.000 1.074 471 L CA 2.697 57.535 54.840 -0.003 0.000 0.760 471 L CB -0.714 41.346 42.059 0.003 0.000 0.889 471 L HN 0.709 nan 8.230 nan 0.000 0.433 472 R N 0.592 121.096 120.500 0.005 0.000 2.153 472 R HA -0.172 4.168 4.340 -0.000 0.000 0.252 472 R C 0.440 176.747 176.300 0.011 0.000 1.158 472 R CA 1.155 57.262 56.100 0.011 0.000 0.975 472 R CB -0.662 29.643 30.300 0.008 0.000 0.871 472 R HN 0.466 nan 8.270 nan 0.000 0.450 473 E N 1.341 121.545 120.200 0.006 0.000 2.146 473 E HA 0.142 4.492 4.350 -0.000 0.000 0.282 473 E C -0.706 175.896 176.600 0.004 0.000 0.989 473 E CA -0.257 56.149 56.400 0.010 0.000 0.799 473 E CB 1.878 31.586 29.700 0.013 0.000 1.088 473 E HN 0.087 nan 8.360 nan 0.000 0.397 474 T N 1.493 116.049 114.554 0.002 0.000 2.893 474 T HA 0.437 4.787 4.350 -0.000 0.000 0.279 474 T C -0.479 174.235 174.700 0.023 0.000 0.991 474 T CA -0.216 61.877 62.100 -0.012 0.000 0.950 474 T CB 1.397 70.234 68.868 -0.053 0.000 1.223 474 T HN 0.320 nan 8.240 nan 0.000 0.585 475 T N 1.751 116.328 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.090 172.726 174.700 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 69.971 68.868 0.061 0.000 1.045 475 T HN 0.492 nan 8.240 nan 0.000 0.454 476 Y N 2.739 123.048 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.116 176.038 175.900 0.036 0.000 1.044 476 Y CA -1.397 56.715 58.100 0.020 0.000 1.085 476 Y CB 0.959 39.422 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.852 123.931 120.400 -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 -0.150 0.000 1.145 477 K CA 1.337 57.361 56.287 -0.440 0.000 0.831 477 K CB -1.672 30.487 32.500 -0.569 0.000 1.226 477 K HN 1.590 nan 8.250 nan 0.000 0.478 478 G N -0.833 107.945 108.800 -0.036 0.000 2.201 478 G HA2 -0.244 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 -0.431 119.794 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.003 176.644 176.600 0.078 0.000 0.933 479 E CA -0.613 55.821 56.400 0.057 0.000 0.809 479 E CB 2.360 32.092 29.700 0.052 0.000 1.190 479 E HN 0.221 nan 8.360 nan 0.000 0.406 480 V N 2.775 122.730 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.137 175.991 176.094 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 3.066 123.014 119.914 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 34.279 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N 0.000 120.419 120.400 0.031 0.000 2.500 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 482 D C 0.094 176.417 176.300 0.037 0.000 1.140 482 D CA 0.748 54.765 54.000 0.029 0.000 0.830 482 D CB 1.791 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 0.747 123.589 122.820 0.038 0.000 2.549 483 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 483 A C -0.734 176.870 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.464 20.493 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.271 120.872 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.101 176.025 176.117 0.014 0.000 1.041 484 I CA -0.928 60.354 61.300 -0.031 0.000 1.069 484 I CB 1.946 39.868 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.266 123.154 119.914 -0.043 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.751 174.343 176.094 0.000 0.000 1.235 485 V CA -1.042 61.258 62.300 0.001 0.000 1.250 485 V CB -0.210 31.618 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 1.789 179.109 177.300 0.033 0.000 0.768 486 P CA 3.213 66.353 63.100 0.068 0.000 1.075 486 P CB -0.230 31.550 31.700 0.133 0.000 0.715 487 A N -2.224 120.622 122.820 0.043 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 3.100 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 1.569 63.702 62.100 0.056 0.000 1.141 488 T CB -0.318 68.586 68.868 0.060 0.000 0.868 488 T HN 0.229 nan 8.240 nan 0.000 0.444 489 V N 1.650 121.561 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.827 176.968 176.094 0.079 0.000 1.157 489 V CA 0.424 62.742 62.300 0.029 0.000 1.157 489 V CB -0.934 30.803 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.065 119.708 119.600 0.072 0.000 2.235 490 M HA 0.421 4.901 4.480 -0.000 0.000 0.351 490 M C 1.053 177.400 176.300 0.079 0.000 1.178 490 M CA -0.039 55.308 55.300 0.079 0.000 1.143 490 M CB -0.246 32.396 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.974 125.841 122.820 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 1.330 53.408 52.037 0.067 0.000 0.775 491 A CB -1.805 17.228 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.105 116.646 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.103 175.664 175.510 0.085 0.000 1.343 492 N CA 0.168 53.274 53.050 0.093 0.000 0.881 492 N CB 0.375 38.947 38.487 0.142 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.492 120.345 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.375 176.404 176.000 0.048 0.000 0.970 493 Q CA -0.259 55.587 55.803 0.072 0.000 0.919 493 Q CB 1.330 30.123 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.250 111.324 114.554 0.033 0.000 2.922 494 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 494 T C 1.033 175.749 174.700 0.026 0.000 1.005 494 T CA -0.098 62.015 62.100 0.023 0.000 0.982 494 T CB 0.830 69.703 68.868 0.008 0.000 1.158 494 T HN 0.353 nan 8.240 nan 0.000 0.566 495 S N 1.027 116.739 115.700 0.019 0.000 2.407 495 S HA -0.225 4.245 4.470 -0.000 0.000 0.244 495 S C 1.774 176.388 174.600 0.024 0.000 1.077 495 S CA 2.178 60.390 58.200 0.020 0.000 1.159 495 S CB -0.595 62.612 63.200 0.011 0.000 1.045 495 S HN 0.939 nan 8.310 nan 0.000 0.438 496 E N 0.566 120.777 120.200 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 2.516 497 E HA -0.020 4.330 4.350 -0.000 0.000 0.199 497 E C 1.047 177.687 176.600 0.067 0.000 1.069 497 E CA 0.131 56.549 56.400 0.030 0.000 0.876 497 E CB 0.412 30.122 29.700 0.018 0.000 0.843 497 E HN 0.142 nan 8.360 nan 0.000 0.530 498 V N -0.310 119.646 119.914 0.069 0.000 2.840 498 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 498 V C 2.006 178.157 176.094 0.095 0.000 1.159 498 V CA 1.078 63.428 62.300 0.083 0.000 1.194 498 V CB 0.021 31.884 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 -0.142 4.178 4.320 -0.000 0.000 0.219 499 A C 2.199 179.873 177.584 0.150 0.000 1.156 499 A CA 1.931 54.031 52.037 0.105 0.000 0.671 499 A CB -0.358 18.690 19.000 0.081 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.866 114.908 115.700 0.123 0.000 2.577 500 S HA 0.521 4.991 4.470 -0.000 0.000 0.219 500 S C 0.858 175.583 174.600 0.209 0.000 0.962 500 S CA 0.308 58.578 58.200 0.118 0.000 0.921 500 S CB -0.809 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 0.020 177.719 177.584 0.193 0.000 1.078 501 A CA -0.044 52.120 52.037 0.211 0.000 0.773 501 A CB 0.098 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 2.316 123.548 121.223 0.015 0.000 2.262 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 502 L C 0.814 177.623 176.870 -0.100 0.000 1.035 502 L CA -0.557 54.126 54.840 -0.263 0.000 0.820 502 L CB 0.577 42.134 42.059 -0.837 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.706 127.510 122.820 -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 -0.872 174.597 175.510 -0.067 0.000 1.094 504 N CA 1.314 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.764 37.689 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.020 119.345 120.400 -0.059 0.000 2.490 505 D HA 0.682 5.322 4.640 -0.000 0.000 0.232 505 D C 1.285 177.544 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.817 54.000 -0.027 0.000 0.914 505 D CB 0.874 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 1.661 124.435 122.820 -0.077 0.000 1.893 506 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 506 A C 2.220 179.686 177.584 -0.198 0.000 1.309 506 A CA 2.657 54.533 52.037 -0.268 0.000 0.681 506 A CB -1.307 17.372 19.000 -0.535 0.000 0.842 506 A HN 0.717 nan 8.150 nan 0.000 0.468 507 I N -0.549 120.013 120.570 -0.014 0.000 2.113 507 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 507 I C 2.237 178.349 176.117 -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 2.172 178.227 176.094 -0.066 0.000 1.080 508 V CA 1.338 63.627 62.300 -0.018 0.000 1.101 508 V CB -0.431 31.386 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.617 120.504 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 2.001 178.733 176.870 -0.230 0.000 1.078 509 L CA 0.714 55.372 54.840 -0.303 0.000 0.780 509 L CB -0.151 41.514 42.059 -0.657 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.413 118.377 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.939 178.086 176.094 0.089 0.000 1.244 510 V CA 1.090 63.388 62.300 -0.003 0.000 1.182 510 V CB 0.046 31.847 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.173 115.910 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.738 176.390 174.600 0.086 0.000 1.077 511 S CA 0.272 58.513 58.200 0.069 0.000 0.906 511 S CB 0.014 63.237 63.200 0.039 0.000 0.804 511 S HN 0.548 nan 8.310 nan 0.000 0.497 512 N N 0.755 119.512 118.700 0.096 0.000 2.331 512 N HA 0.018 4.758 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 0.959 54.078 53.050 0.115 0.000 0.881 512 N CB -0.242 38.302 38.487 0.094 0.000 0.972 512 N HN 0.425 nan 8.380 nan 0.000 0.435 513 H N 0.369 119.520 119.070 0.136 0.000 2.287 513 H HA 0.215 4.771 4.556 -0.000 0.000 0.309 513 H C 1.837 177.255 175.328 0.150 0.000 1.059 513 H CA 1.096 57.252 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 1.547 56.511 54.840 0.207 0.000 0.754 514 L CB -0.556 41.647 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.234 118.497 118.700 0.053 0.000 2.205 515 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 515 N C 1.780 177.299 175.510 0.015 0.000 1.015 515 N CA 0.964 54.015 53.050 0.002 0.000 0.862 515 N CB 0.045 38.540 38.487 0.014 0.000 0.986 515 N HN 0.200 nan 8.380 nan 0.000 0.429 516 K N 0.529 120.944 120.400 0.025 0.000 2.007 516 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 516 K C 1.827 178.435 176.600 0.015 0.000 1.047 516 K CA 0.399 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 1.375 122.605 121.223 0.011 0.000 2.187 517 L HA -0.089 4.250 4.340 -0.000 0.000 0.213 517 L C 1.944 178.932 176.870 0.198 0.000 1.100 517 L CA 1.729 56.610 54.840 0.068 0.000 0.765 517 L CB -0.822 41.268 42.059 0.053 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.344 122.589 122.820 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 1.275 53.391 52.037 0.133 0.000 0.652 518 A CB -0.380 18.514 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.491 118.236 118.700 0.045 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.488 177.019 175.510 0.036 0.000 1.066 519 N CA 0.822 53.890 53.050 0.029 0.000 0.895 519 N CB 0.343 38.839 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.100 121.041 119.914 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 1.309 63.630 62.300 0.035 0.000 1.029 520 V CB -0.536 31.301 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.098 120.057 119.914 0.074 0.000 2.270 521 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 521 V C 2.568 178.702 176.094 0.068 0.000 1.043 521 V CA 2.126 64.472 62.300 0.078 0.000 1.014 521 V CB -2.003 29.896 31.823 0.126 0.000 0.645 521 V HN 0.423 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 1.412 46.541 45.100 0.047 0.000 0.760 522 G HN 0.576 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 1.139 55.154 54.000 0.024 0.000 0.889 523 D CB -0.311 40.502 40.800 0.021 0.000 1.018 523 D HN 0.208 nan 8.370 nan 0.000 0.448 524 A N 1.440 124.274 122.820 0.024 0.000 1.835 524 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 524 A C 1.538 179.135 177.584 0.022 0.000 1.199 524 A CA 0.711 52.760 52.037 0.021 0.000 0.615 524 A CB -0.875 18.135 19.000 0.018 0.000 0.838 524 A HN 0.280 nan 8.150 nan 0.000 0.444 525 I N 1.280 121.866 120.570 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 -1.326 59.992 61.300 0.029 0.000 1.417 525 I CB 0.725 38.745 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 0.372 177.692 177.300 0.034 0.000 1.816 526 P CA -0.059 63.057 63.100 0.027 0.000 0.944 526 P CB -0.040 31.671 31.700 0.018 0.000 1.896 527 V N -0.003 119.938 119.914 0.045 0.000 3.564 527 V HA 0.108 4.228 4.120 -0.000 0.000 0.283 527 V C 1.549 177.673 176.094 0.050 0.000 1.227 527 V CA 1.087 63.421 62.300 0.057 0.000 1.217 527 V CB -1.439 30.431 31.823 0.078 0.000 0.994 527 V HN 0.401 nan 8.190 nan 0.000 0.446 528 A N 0.214 123.056 122.820 0.038 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.350 177.948 177.584 0.024 0.000 0.964 528 A CA 0.317 52.373 52.037 0.031 0.000 1.045 528 A CB 0.297 19.313 19.000 0.027 0.000 1.174 528 A HN 0.547 nan 8.150 nan 0.000 0.493 529 S N -1.298 114.416 115.700 0.023 0.000 2.611 529 S HA 0.446 4.915 4.470 -0.000 0.000 0.268 529 S C -0.199 174.408 174.600 0.013 0.000 1.156 529 S CA -0.973 57.236 58.200 0.015 0.000 0.817 529 S CB 0.729 63.935 63.200 0.009 0.000 1.122 529 S HN 0.313 nan 8.310 nan 0.000 0.466 530 R N 0.922 121.424 120.500 0.004 0.000 2.858 530 R HA 0.102 4.442 4.340 -0.000 0.000 0.228 530 R C 0.883 177.169 176.300 -0.022 0.000 1.471 530 R CA 0.734 56.832 56.100 -0.003 0.000 1.342 530 R CB -1.076 29.219 30.300 -0.008 0.000 1.152 530 R HN 0.814 nan 8.270 nan 0.000 0.521 531 T N -2.368 112.176 114.554 -0.016 0.000 3.278 531 T HA -0.007 4.343 4.350 -0.000 0.000 0.251 531 T C 0.230 174.903 174.700 -0.044 0.000 1.039 531 T CA -0.541 61.539 62.100 -0.034 0.000 0.935 531 T CB -0.126 68.731 68.868 -0.019 0.000 1.034 531 T HN 0.141 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 0.103 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.194 39.471 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.697 118.727 120.400 0.039 0.000 2.319 533 D HA -0.015 4.625 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 41.323 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.151 115.579 115.700 0.050 0.000 2.402 534 S HA -0.264 4.206 4.470 -0.000 0.000 0.233 534 S C 1.938 176.567 174.600 0.048 0.000 1.030 534 S CA 0.940 59.170 58.200 0.050 0.000 1.003 534 S CB -0.984 62.232 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.386 125.231 122.820 0.042 0.000 1.832 535 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 535 A C 2.594 180.201 177.584 0.037 0.000 1.200 535 A CA 2.244 54.295 52.037 0.024 0.000 0.610 535 A CB -1.830 17.188 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.617 111.983 114.554 0.076 0.000 3.077 536 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 536 T C 1.742 176.531 174.700 0.147 0.000 1.146 536 T CA 1.901 64.062 62.100 0.102 0.000 1.091 536 T CB -0.305 68.647 68.868 0.141 0.000 0.892 536 T HN 0.324 nan 8.240 nan 0.000 0.533 537 S N 0.037 115.839 115.700 0.169 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.444 177.067 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.238 0.000 0.953 537 S CB -0.693 62.680 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.618 124.448 122.820 0.016 0.000 1.902 538 A HA 0.016 4.335 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 1.441 53.461 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 -0.140 0.000 1.102 539 I CA 0.869 62.119 61.300 -0.084 0.000 1.385 539 I CB -0.363 37.603 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 -0.317 3.803 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 -0.447 0.000 1.042 540 V CB -0.748 30.453 31.823 -1.035 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.297 115.216 115.700 -0.312 0.000 2.423 541 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 541 S C 2.031 176.549 174.600 -0.137 0.000 1.014 541 S CA 0.752 58.821 58.200 -0.218 0.000 0.965 541 S CB -0.324 62.793 63.200 -0.139 0.000 0.785 541 S HN 0.471 nan 8.310 nan 0.000 0.495 542 R N 1.381 121.813 120.500 -0.114 0.000 2.062 542 R HA 0.235 4.575 4.340 -0.000 0.000 0.229 542 R C 2.407 178.675 176.300 -0.054 0.000 1.128 542 R CA 0.996 57.055 56.100 -0.069 0.000 0.960 542 R CB -1.301 28.964 30.300 -0.058 0.000 0.855 542 R HN 0.446 nan 8.270 nan 0.000 0.432 543 L N 0.527 121.705 121.223 -0.075 0.000 2.043 543 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 543 L C 2.628 179.498 176.870 -0.000 0.000 1.075 543 L CA 1.566 56.381 54.840 -0.041 0.000 0.752 543 L CB -0.837 41.176 42.059 -0.076 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 A N 0.089 122.884 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.282 179.916 177.584 0.084 0.000 1.203 544 A CA 1.878 53.944 52.037 0.048 0.000 0.614 544 A CB -1.114 17.859 19.000 -0.045 0.000 0.844 544 A HN 0.135 nan 8.150 nan 0.000 0.445 545 V N 0.648 120.574 119.914 0.021 0.000 2.511 545 V HA -0.309 3.811 4.120 -0.000 0.000 0.257 545 V C 2.762 178.876 176.094 0.034 0.000 1.088 545 V CA 2.443 64.757 62.300 0.023 0.000 1.098 545 V CB -0.710 31.109 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.231 119.593 119.800 0.040 0.000 2.013 546 Q HA -0.185 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 57.486 55.803 0.039 0.000 0.826 546 Q CB -0.546 28.210 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.509 119.576 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.685 177.012 175.328 -0.001 0.000 1.051 547 H CA 1.159 57.204 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 2.275 178.863 176.600 -0.020 0.000 1.052 548 K CA 0.837 57.176 56.287 0.087 0.000 0.952 548 K CB -0.101 32.479 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.408 120.803 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.800 178.634 176.870 -0.060 0.000 1.115 549 L CA 1.660 56.482 54.840 -0.030 0.000 0.820 549 L CB -1.105 40.946 42.059 -0.014 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.260 114.383 115.700 -0.095 0.000 2.515 550 S HA -0.118 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 0.860 58.993 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 0.586 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 0.298 176.247 176.000 -0.086 0.000 0.921 551 Q CA 0.078 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.004 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 1.101 120.976 119.914 -0.064 0.000 2.872 552 V HA 0.355 4.475 4.120 -0.000 0.000 0.307 552 V C 0.516 176.590 176.094 -0.033 0.000 1.072 552 V CA 0.812 63.090 62.300 -0.036 0.000 1.148 552 V CB 0.323 32.132 31.823 -0.024 0.000 0.954 552 V HN 0.607 nan 8.190 nan 0.000 0.490 553 G N 4.277 113.063 108.800 -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 -0.543 174.343 174.900 -0.024 0.000 0.911 553 G CA 0.565 45.653 45.100 -0.020 0.000 0.797 553 G HN 1.507 nan 8.290 nan 0.000 0.503 554 Q N 0.107 119.895 119.800 -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 0.742 56.534 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.693 28.738 -0.024 0.000 0.635 554 Q HN 2.651 nan 8.270 nan 0.000 0.323 555 A N 2.474 125.285 122.820 -0.015 0.000 2.254 555 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 555 A C 1.066 178.642 177.584 -0.014 0.000 1.184 555 A CA 2.653 54.682 52.037 -0.013 0.000 0.688 555 A CB -1.309 17.684 19.000 -0.011 0.000 0.821 555 A HN 2.205 nan 8.150 nan 0.000 0.498 556 S N -2.698 112.989 115.700 -0.021 0.000 3.425 556 S HA -0.196 4.274 4.470 -0.000 0.000 0.377 556 S C -0.515 174.076 174.600 -0.015 0.000 0.989 556 S CA 0.828 59.014 58.200 -0.024 0.000 1.183 556 S CB -2.144 61.046 63.200 -0.017 0.000 0.908 556 S HN 0.741 nan 8.310 nan 0.000 0.472 557 P HA 0.059 nan 4.420 nan 0.000 0.228 557 P C 0.067 177.365 177.300 -0.004 0.000 1.151 557 P CA 0.888 63.983 63.100 -0.008 0.000 0.770 557 P CB -0.265 31.430 31.700 -0.008 0.000 0.786 558 T N 3.329 117.882 114.554 -0.003 0.000 2.963 558 T HA 0.309 4.659 4.350 -0.000 0.000 0.343 558 T C -2.657 172.060 174.700 0.028 0.000 1.146 558 T CA -1.545 60.564 62.100 0.014 0.000 1.016 558 T CB 1.227 70.118 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 -1.273 61.816 63.100 -0.018 0.000 0.765 559 P CB -0.239 31.439 31.700 -0.037 0.000 0.835 560 P HA -0.131 nan 4.420 nan 0.000 0.267 560 P C 0.395 177.217 177.300 -0.796 0.000 1.175 560 P CA 0.486 63.337 63.100 -0.414 0.000 0.763 560 P CB 0.762 32.205 31.700 -0.430 0.000 0.795 561 D N 1.199 121.162 120.400 -0.729 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.764 176.796 176.300 -0.446 0.000 0.983 561 D CA 1.100 54.818 54.000 -0.470 0.000 0.889 561 D CB -0.054 40.599 40.800 -0.244 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.310 116.950 120.300 -0.067 0.000 2.716 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.473 562 Y C -1.530 174.497 175.900 0.211 0.000 1.306 562 Y CA 0.341 58.456 58.100 0.024 0.000 2.486 562 Y CB -1.956 36.565 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 2.011 65.271 63.100 0.267 0.000 0.837 563 P CB -0.088 31.699 31.700 0.145 0.000 0.786 564 L N -1.678 119.616 121.223 0.119 0.000 2.179 564 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 564 L C 2.073 178.974 176.870 0.051 0.000 1.096 564 L CA 1.101 55.978 54.840 0.061 0.000 0.779 564 L CB -0.460 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 56.340 54.840 -0.034 0.000 0.759 565 L CB -0.909 41.104 42.059 -0.076 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.695 122.025 121.300 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 58.628 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 0.895 121.550 120.500 0.258 0.000 2.115 567 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 567 R C 2.311 178.672 176.300 0.101 0.000 1.111 567 R CA 1.497 57.688 56.100 0.153 0.000 0.976 567 R CB -0.366 30.002 30.300 0.113 0.000 0.870 567 R HN 0.117 nan 8.270 nan 0.000 0.445 568 R N -0.122 120.422 120.500 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 1.333 57.459 56.100 0.043 0.000 0.973 568 R CB -0.173 30.138 30.300 0.018 0.000 0.869 568 R HN 0.277 nan 8.270 nan 0.000 0.440 569 A N 0.639 123.479 122.820 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 18.809 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.947 121.410 120.400 0.106 0.000 2.057 570 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 570 K C 2.157 178.810 176.600 0.087 0.000 1.050 570 K CA 1.686 58.042 56.287 0.114 0.000 0.935 570 K CB -0.224 32.351 32.500 0.125 0.000 0.715 570 K HN 0.585 nan 8.250 nan 0.000 0.439 571 R N -0.456 120.089 120.500 0.075 0.000 2.193 571 R HA 0.141 4.481 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 1.000 57.140 56.100 0.067 0.000 0.995 571 R CB -0.304 30.029 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.842 124.703 122.820 0.069 0.000 1.855 572 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 572 A C 2.518 180.166 177.584 0.107 0.000 1.191 572 A CA 1.376 53.458 52.037 0.075 0.000 0.613 572 A CB -0.799 18.229 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 -0.070 4.250 4.320 -0.000 0.000 0.218 573 A C 2.463 180.149 177.584 0.169 0.000 1.169 573 A CA 2.137 54.240 52.037 0.112 0.000 0.635 573 A CB -0.812 18.231 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.959 114.815 115.700 0.124 0.000 2.357 574 S HA -0.153 4.317 4.470 -0.000 0.000 0.221 574 S C 2.090 176.751 174.600 0.103 0.000 1.031 574 S CA 1.553 59.816 58.200 0.106 0.000 0.982 574 S CB -0.395 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 -0.163 119.498 119.600 0.102 0.000 2.279 575 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 575 M C 1.688 178.038 176.300 0.084 0.000 1.062 575 M CA 1.468 56.816 55.300 0.078 0.000 1.099 575 M CB -0.244 32.402 32.600 0.077 0.000 1.394 575 M HN 0.541 nan 8.290 nan 0.000 0.426 576 F N 0.114 120.077 119.950 0.021 0.000 2.053 576 F HA -0.139 4.388 4.527 -0.000 0.000 0.292 576 F C 1.861 177.672 175.800 0.018 0.000 1.125 576 F CA 1.767 59.779 58.000 0.020 0.000 1.193 576 F CB -0.699 38.312 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.011 119.995 119.914 0.118 0.000 2.370 577 V HA -0.372 3.748 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 2.076 64.375 62.300 -0.002 0.000 1.061 577 V CB -1.299 30.586 31.823 0.105 0.000 0.656 577 V HN 0.574 nan 8.190 nan 0.000 0.455 578 S N 0.297 115.955 115.700 -0.069 0.000 2.380 578 S HA -0.193 4.277 4.470 -0.000 0.000 0.217 578 S C 1.219 175.752 174.600 -0.113 0.000 1.036 578 S CA 1.946 60.108 58.200 -0.064 0.000 1.050 578 S CB -0.312 62.874 63.200 -0.023 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.734 119.351 118.700 -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 -2.094 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.467 39.911 38.487 -0.071 0.000 1.150 579 N HN 0.041 nan 8.380 nan 0.000 0.507 580 P HA -0.288 nan 4.420 nan 0.000 0.220 580 P C 1.362 178.509 177.300 -0.255 0.000 1.155 580 P CA 1.104 63.817 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 -0.945 114.681 115.700 -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 1.574 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 1.118 122.343 121.223 0.003 0.000 2.166 582 L HA -0.319 4.021 4.340 -0.000 0.000 0.228 582 L C 2.578 179.492 176.870 0.074 0.000 1.101 582 L CA 1.703 56.564 54.840 0.036 0.000 0.821 582 L CB -0.999 41.078 42.059 0.032 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.912 121.978 122.820 0.116 0.000 2.292 583 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 583 A C 1.931 179.585 177.584 0.117 0.000 1.209 583 A CA 1.071 53.200 52.037 0.154 0.000 0.746 583 A CB -0.506 18.657 19.000 0.271 0.000 0.764 583 A HN 0.527 nan 8.150 nan 0.000 0.492 584 L N -2.006 119.273 121.223 0.093 0.000 2.642 584 L HA 0.102 4.442 4.340 -0.000 0.000 0.233 584 L C 0.483 177.399 176.870 0.076 0.000 1.077 584 L CA -0.045 54.847 54.840 0.087 0.000 0.879 584 L CB -0.111 41.998 42.059 0.084 0.000 1.151 584 L HN 0.379 nan 8.230 nan 0.000 0.495 585 Q N 1.470 121.309 119.800 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 2.102 30.866 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.406 122.346 119.914 0.043 0.000 2.493 586 V HA 0.257 4.377 4.120 -0.000 0.000 0.292 586 V C 1.209 177.322 176.094 0.031 0.000 1.016 586 V CA 1.144 63.466 62.300 0.037 0.000 1.097 586 V CB 0.134 31.975 31.823 0.030 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.919 113.737 108.800 0.031 0.000 2.151 587 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G C -0.415 174.503 174.900 0.030 0.000 1.017 587 G CA -0.681 44.435 45.100 0.027 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.172 122.764 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.820 174.322 176.117 0.041 0.000 0.999 588 I CA -3.084 58.241 61.300 0.041 0.000 1.163 588 I CB 1.295 39.326 38.000 0.052 0.000 1.316 588 I HN -0.040 nan 8.210 nan 0.000 0.454 589 P HA 0.057 nan 4.420 nan 0.000 0.260 589 P C 0.855 178.177 177.300 0.036 0.000 1.172 589 P CA 0.492 63.612 63.100 0.033 0.000 0.760 589 P CB 1.154 32.873 31.700 0.031 0.000 0.773 590 V N 2.770 122.702 119.914 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 64.250 62.300 0.024 0.000 3.223 590 V CB -2.245 29.591 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.861 122.110 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 591 L C 2.245 179.147 176.870 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 -4.096 110.488 114.554 0.051 0.000 3.144 592 T HA 0.083 4.433 4.350 -0.000 0.000 0.249 592 T C 0.680 175.401 174.700 0.035 0.000 1.089 592 T CA -0.210 61.919 62.100 0.049 0.000 0.989 592 T CB 0.028 68.927 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.554 121.369 119.800 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 55.712 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 1.315 117.023 115.700 0.013 0.000 2.392 594 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 594 S C 1.656 176.257 174.600 0.000 0.000 1.041 594 S CA 1.250 59.457 58.200 0.011 0.000 1.026 594 S CB -0.760 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 2.794 111.591 108.800 -0.006 0.000 2.604 595 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G C 0.590 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.079 46.169 45.100 -0.017 0.000 0.804 595 G HN 0.433 nan 8.290 nan 0.000 0.579 596 M N -0.020 119.558 119.600 -0.036 0.000 2.185 596 M HA 0.137 4.617 4.480 -0.000 0.000 0.308 596 M C 1.350 177.603 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.042 55.300 -0.060 0.000 1.027 596 M CB -0.162 32.409 32.600 -0.049 0.000 1.463 596 M HN 0.432 nan 8.290 nan 0.000 0.431 597 L N -1.141 119.996 121.223 -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 1.467 56.196 54.840 -0.185 0.000 0.777 597 L CB -1.908 40.078 42.059 -0.120 0.000 3.491 597 L HN 0.816 nan 8.230 nan 0.000 0.841 598 S N -0.723 114.939 115.700 -0.063 0.000 2.383 598 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 598 S C 1.641 176.209 174.600 -0.053 0.000 1.030 598 S CA 2.143 60.318 58.200 -0.042 0.000 1.002 598 S CB -0.104 63.084 63.200 -0.021 0.000 0.829 598 S HN 0.563 nan 8.310 nan 0.000 0.467 599 A N 1.525 124.307 122.820 -0.064 0.000 1.831 599 A HA 0.126 4.446 4.320 -0.000 0.000 0.213 599 A C 2.069 179.603 177.584 -0.083 0.000 1.223 599 A CA 1.367 53.366 52.037 -0.064 0.000 0.604 599 A CB -1.282 17.681 19.000 -0.062 0.000 0.878 599 A HN 0.560 nan 8.150 nan 0.000 0.450 600 L N 0.556 121.707 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.680 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.070 58.819 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 2.008 176.668 174.700 -0.065 0.000 1.115 601 T CA 2.839 64.876 62.100 -0.104 0.000 1.180 601 T CB -1.728 67.084 68.868 -0.093 0.000 0.864 601 T HN 0.730 nan 8.240 nan 0.000 0.419 602 S N 1.619 117.286 115.700 -0.054 0.000 2.461 602 S HA 0.025 4.495 4.470 -0.000 0.000 0.246 602 S C 2.115 176.696 174.600 -0.032 0.000 1.007 602 S CA 1.203 59.380 58.200 -0.037 0.000 0.976 602 S CB -1.376 61.805 63.200 -0.032 0.000 0.763 602 S HN 0.870 nan 8.310 nan 0.000 0.508 603 G N 1.339 110.116 108.800 -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 1.346 176.234 174.900 -0.020 0.000 1.226 603 G CA 0.551 45.636 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 3.010 179.095 176.094 -0.014 0.000 1.088 604 V CA 2.138 64.428 62.300 -0.017 0.000 1.091 604 V CB -1.308 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 0.360 109.147 108.800 -0.021 0.000 2.666 605 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.215 605 G HA3 -0.354 3.606 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 2.073 47.163 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.167 114.380 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.460 177.158 174.700 -0.003 0.000 1.064 606 T CA 2.125 64.221 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 0.507 nan 8.240 nan 0.000 0.483 607 A N 1.704 124.523 122.820 -0.002 0.000 1.908 607 A HA 0.128 4.448 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 1.575 53.614 52.037 0.003 0.000 0.627 607 A CB -0.797 18.207 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.559 119.665 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.835 178.705 176.870 0.000 0.000 1.095 608 L CA 0.721 55.563 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 0.337 120.836 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.265 176.564 176.300 -0.003 0.000 1.784 609 R CA 0.669 56.767 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 0.414 nan 8.270 nan 0.000 0.642 610 T N -7.744 106.809 114.554 -0.001 0.000 3.669 610 T HA -0.015 4.335 4.350 -0.000 0.000 0.294 610 T C 1.674 176.375 174.700 0.001 0.000 0.884 610 T CA 0.046 62.146 62.100 -0.000 0.000 0.815 610 T CB -0.035 68.833 68.868 -0.000 0.000 1.215 610 T HN 0.237 nan 8.240 nan 0.000 0.815 611 G N 1.724 110.525 108.800 0.003 0.000 2.717 611 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G C 1.032 175.935 174.900 0.005 0.000 1.088 611 G CA 1.572 46.675 45.100 0.005 0.000 0.734 611 G HN 0.944 nan 8.290 nan 0.000 0.616 612 S N -2.706 112.997 115.700 0.004 0.000 4.158 612 S HA -0.225 4.245 4.470 -0.000 0.000 0.615 612 S C 0.894 175.499 174.600 0.007 0.000 1.866 612 S CA 1.396 59.599 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 1.007 nan 8.310 nan 0.000 0.455 613 L N -1.252 119.979 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.103 177.988 176.870 0.024 0.000 1.189 613 L CA 0.989 55.840 54.840 0.018 0.000 1.303 613 L CB -0.475 41.597 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.463 109.277 108.800 0.023 0.000 3.530 614 G HA2 0.012 3.972 3.960 -0.000 0.000 0.269 614 G HA3 0.012 3.972 3.960 -0.000 0.000 0.269 614 G C 0.931 175.840 174.900 0.016 0.000 1.314 614 G CA 0.168 45.282 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 -0.019 4.301 4.320 -0.000 0.000 0.202 615 K C 2.243 178.850 176.600 0.012 0.000 1.048 615 K CA 0.958 57.252 56.287 0.012 0.000 0.948 615 K CB -0.225 32.282 32.500 0.012 0.000 0.742 615 K HN 0.266 nan 8.250 nan 0.000 0.458 616 G N 0.866 109.675 108.800 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 0.253 45.362 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 -0.012 4.108 4.120 -0.000 0.000 0.260 617 V C 1.367 177.463 176.094 0.004 0.000 1.098 617 V CA 1.266 63.570 62.300 0.006 0.000 1.121 617 V CB -0.632 31.193 31.823 0.004 0.000 0.714 617 V HN 0.269 nan 8.190 nan 0.000 0.487 618 T N 2.271 116.828 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.418 175.120 174.700 0.004 0.000 0.942 618 T CA 0.494 62.596 62.100 0.003 0.000 1.161 618 T CB 0.067 68.937 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.443 121.844 120.400 0.001 0.000 2.811 619 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 619 D C 0.958 177.260 176.300 0.004 0.000 1.157 619 D CA 0.838 54.839 54.000 0.002 0.000 0.716 619 D CB -0.994 39.808 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.240 122.582 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.128 179.714 177.584 0.004 0.000 1.201 620 A CA 1.312 53.352 52.037 0.005 0.000 0.824 620 A CB 0.245 19.248 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.119 115.582 115.700 0.002 0.000 2.355 621 S HA -0.063 4.407 4.470 -0.000 0.000 0.216 621 S C 1.723 176.324 174.600 0.002 0.000 1.037 621 S CA 1.058 59.259 58.200 0.002 0.000 0.955 621 S CB -0.241 62.959 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.927 121.129 120.200 0.002 0.000 2.150 622 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 622 E C 2.096 178.698 176.600 0.004 0.000 0.985 622 E CA 0.646 57.047 56.400 0.003 0.000 0.814 622 E CB -0.076 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 1.152 121.555 120.400 0.005 0.000 2.057 623 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 623 K C 2.209 178.813 176.600 0.007 0.000 1.049 623 K CA 0.698 56.989 56.287 0.006 0.000 0.931 623 K CB -0.024 32.480 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.900 122.127 121.223 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 56.072 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 1.833 178.135 176.300 0.005 0.000 1.131 625 R CA 1.480 57.583 56.100 0.005 0.000 0.982 625 R CB -0.350 29.952 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.489 123.312 122.820 0.005 0.000 1.970 626 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 626 A C 2.191 179.778 177.584 0.005 0.000 1.170 626 A CA 0.525 52.565 52.037 0.004 0.000 0.645 626 A CB -0.233 18.770 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 2.285 178.592 176.300 0.011 0.000 1.119 627 R CA 1.522 57.627 56.100 0.010 0.000 0.970 627 R CB -0.248 30.059 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.233 119.573 119.800 0.011 0.000 2.167 628 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 628 Q C 2.132 178.139 176.000 0.010 0.000 0.970 628 Q CA 1.521 57.331 55.803 0.012 0.000 0.855 628 Q CB -0.000 28.744 28.738 0.011 0.000 0.911 628 Q HN 0.164 nan 8.270 nan 0.000 0.438 629 S N 0.159 115.863 115.700 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 -0.071 63.130 63.200 0.001 0.000 0.823 629 S HN 0.328 nan 8.310 nan 0.000 0.469 630 L N 0.369 121.591 121.223 -0.001 0.000 2.072 630 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 630 L C 2.966 179.830 176.870 -0.010 0.000 1.079 630 L CA 1.622 56.456 54.840 -0.009 0.000 0.752 630 L CB -1.011 41.043 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.877 113.681 114.554 0.005 0.000 2.881 631 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 631 T C 1.802 176.511 174.700 0.015 0.000 1.068 631 T CA 0.939 63.049 62.100 0.017 0.000 1.131 631 T CB 0.025 68.916 68.868 0.038 0.000 0.871 631 T HN 0.055 nan 8.240 nan 0.000 0.479 632 V N 1.099 121.020 119.914 0.011 0.000 2.453 632 V HA 0.049 4.169 4.120 -0.000 0.000 0.247 632 V C 2.859 178.956 176.094 0.004 0.000 1.048 632 V CA 1.597 63.906 62.300 0.014 0.000 1.049 632 V CB -0.871 30.960 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.380 122.435 122.820 -0.009 0.000 1.970 633 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 633 A C 2.279 179.842 177.584 -0.035 0.000 1.170 633 A CA 1.662 53.689 52.037 -0.016 0.000 0.645 633 A CB -0.331 18.655 19.000 -0.024 0.000 0.816 633 A HN 0.504 nan 8.150 nan 0.000 0.447 634 K N -0.556 119.803 120.400 -0.069 0.000 2.217 634 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 634 K C 2.117 178.567 176.600 -0.249 0.000 1.051 634 K CA 1.431 57.618 56.287 -0.166 0.000 0.952 634 K CB -0.063 32.323 32.500 -0.190 0.000 0.736 634 K HN 0.368 nan 8.250 nan 0.000 0.453 635 Q N 0.883 120.639 119.800 -0.074 0.000 2.119 635 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 635 Q C 1.683 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.844 57.673 55.803 0.043 0.000 0.847 635 Q CB -0.361 28.430 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.125 122.705 122.820 0.017 0.000 1.933 636 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 636 A C 2.050 179.673 177.584 0.065 0.000 1.175 636 A CA 1.342 53.401 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 0.625 nan 8.150 nan 0.000 0.444 637 F N -0.450 119.414 119.950 -0.143 0.000 2.039 637 F HA -0.163 4.364 4.527 -0.000 0.000 0.294 637 F C 1.925 177.688 175.800 -0.062 0.000 1.130 637 F CA 1.692 59.599 58.000 -0.156 0.000 1.189 637 F CB -0.273 38.549 39.000 -0.297 0.000 0.983 637 F HN 0.197 nan 8.300 nan 0.000 0.471 638 F N 1.657 121.363 119.950 -0.406 0.000 2.225 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.302 638 F C 2.307 177.919 175.800 -0.312 0.000 1.068 638 F CA 1.365 59.058 58.000 -0.513 0.000 1.327 638 F CB -1.356 37.509 39.000 -0.226 0.000 1.043 638 F HN 0.166 nan 8.300 nan 0.000 0.506 639 D N -0.369 120.042 120.400 0.019 0.000 2.178 639 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 639 D C 2.131 178.420 176.300 -0.019 0.000 0.974 639 D CA 1.061 55.068 54.000 0.011 0.000 0.841 639 D CB -0.228 40.590 40.800 0.030 0.000 0.953 639 D HN 0.442 nan 8.370 nan 0.000 0.478 640 Q N -0.046 119.731 119.800 -0.039 0.000 2.123 640 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 640 Q C 2.351 178.345 176.000 -0.010 0.000 0.958 640 Q CA 0.281 56.082 55.803 -0.003 0.000 0.841 640 Q CB 0.328 29.104 28.738 0.062 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.965 121.425 120.570 -0.183 0.000 2.315 641 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 641 I C 2.152 178.239 176.117 -0.050 0.000 1.125 641 I CA 1.748 62.903 61.300 -0.242 0.000 1.392 641 I CB -1.242 36.336 38.000 -0.703 0.000 1.065 641 I HN 0.327 nan 8.210 nan 0.000 0.424 642 G N 0.046 108.805 108.800 -0.069 0.000 2.484 642 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 642 G HA3 -0.157 3.803 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 1.007 46.095 45.100 -0.021 0.000 0.784 642 G HN 0.551 nan 8.290 nan 0.000 0.543 643 S N 0.226 115.937 115.700 0.019 0.000 2.541 643 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 643 S C 2.232 176.825 174.600 -0.012 0.000 1.025 643 S CA 0.282 58.484 58.200 0.004 0.000 0.917 643 S CB -0.573 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 -0.149 121.044 121.223 -0.049 0.000 1.991 644 L HA -0.112 4.228 4.340 -0.000 0.000 0.221 644 L C 1.065 177.771 176.870 -0.272 0.000 1.079 644 L CA 1.484 56.176 54.840 -0.247 0.000 0.778 644 L CB -0.744 41.053 42.059 -0.438 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.811 123.116 121.300 0.008 0.000 2.175 645 W HA 0.274 4.934 4.660 -0.000 0.000 0.350 645 W C -1.970 174.541 176.519 -0.014 0.000 0.877 645 W CA -1.867 55.493 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