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 3lsk_1_C DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STHWSCATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPFT 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.083 176.117 -0.057 0.000 1.063 45 I CA 0.000 61.251 61.300 -0.082 0.000 1.566 45 I CB 0.000 37.868 38.000 -0.220 0.000 1.214 46 K N 0.463 120.692 120.400 -0.285 0.000 2.507 46 K HA 0.680 4.999 4.320 -0.001 0.000 0.251 46 K C -2.285 174.028 176.600 -0.478 0.000 0.943 46 K CA -0.282 55.876 56.287 -0.214 0.000 0.794 46 K CB 1.458 33.880 32.500 -0.129 0.000 1.188 46 K HN 0.494 nan 8.250 nan 0.000 0.428 47 Y N 1.079 121.369 120.300 -0.016 0.000 2.662 47 Y HA 0.311 4.861 4.550 -0.001 0.000 0.335 47 Y C 0.567 176.449 175.900 -0.030 0.000 1.066 47 Y CA -0.746 57.340 58.100 -0.023 0.000 1.116 47 Y CB 1.756 40.199 38.460 -0.028 0.000 1.308 47 Y HN 0.629 nan 8.280 nan 0.000 0.502 48 D N -0.211 120.287 120.400 0.164 0.000 2.149 48 D HA 0.081 4.720 4.640 -0.001 0.000 0.206 48 D C -0.375 175.936 176.300 0.019 0.000 0.967 48 D CA 1.347 55.418 54.000 0.118 0.000 0.848 48 D CB 0.340 41.273 40.800 0.223 0.000 0.998 48 D HN 0.117 nan 8.370 nan 0.000 0.474 49 V N 1.065 120.989 119.914 0.018 0.000 2.735 49 V HA 0.458 4.577 4.120 -0.001 0.000 0.310 49 V C -0.309 175.694 176.094 -0.152 0.000 1.061 49 V CA -1.063 61.154 62.300 -0.139 0.000 0.913 49 V CB 2.446 34.166 31.823 -0.171 0.000 1.005 49 V HN -0.004 nan 8.190 nan 0.000 0.428 50 V N 2.385 122.158 119.914 -0.235 0.000 2.540 50 V HA 0.756 4.876 4.120 -0.001 0.000 0.302 50 V C -0.783 175.238 176.094 -0.121 0.000 1.035 50 V CA -0.574 61.634 62.300 -0.154 0.000 0.873 50 V CB 1.647 33.412 31.823 -0.096 0.000 0.992 50 V HN 0.699 nan 8.190 nan 0.000 0.428 51 I N 4.456 124.982 120.570 -0.073 0.000 2.436 51 I HA 0.507 4.677 4.170 -0.001 0.000 0.289 51 I C -0.622 175.502 176.117 0.012 0.000 1.010 51 I CA -0.908 60.336 61.300 -0.092 0.000 1.098 51 I CB 2.304 40.238 38.000 -0.109 0.000 1.266 51 I HN 0.453 nan 8.210 nan 0.000 0.434 52 V N 5.619 125.528 119.914 -0.008 0.000 2.333 52 V HA 0.804 4.923 4.120 -0.001 0.000 0.274 52 V C 0.412 176.502 176.094 -0.008 0.000 1.028 52 V CA -0.287 62.033 62.300 0.034 0.000 0.851 52 V CB 0.655 32.475 31.823 -0.005 0.000 1.000 52 V HN 1.053 nan 8.190 nan 0.000 0.456 53 G N 3.946 112.757 108.800 0.018 0.000 3.069 53 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.686 53 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.686 53 G C -0.097 174.806 174.900 0.006 0.000 1.161 53 G CA -0.270 44.831 45.100 0.002 0.000 0.804 53 G HN 1.282 nan 8.290 nan 0.000 0.608 54 S N 1.117 116.826 115.700 0.015 0.000 2.562 54 S HA 0.624 5.093 4.470 -0.001 0.000 0.246 54 S C 1.201 175.804 174.600 0.004 0.000 1.056 54 S CA 0.614 58.830 58.200 0.026 0.000 1.042 54 S CB 0.683 63.915 63.200 0.053 0.000 0.822 54 S HN 1.895 nan 8.310 nan 0.000 0.465 55 G N 2.518 111.308 108.800 -0.016 0.000 2.588 55 G HA2 0.435 4.395 3.960 -0.001 0.000 0.278 55 G HA3 0.435 4.395 3.960 -0.001 0.000 0.278 55 G C -1.269 173.598 174.900 -0.056 0.000 1.307 55 G CA -1.532 43.539 45.100 -0.047 0.000 1.016 55 G HN 0.245 nan 8.290 nan 0.000 0.503 56 P HA -0.061 nan 4.420 nan 0.000 0.222 56 P C 1.701 178.941 177.300 -0.100 0.000 1.147 56 P CA 0.668 63.709 63.100 -0.098 0.000 0.790 56 P CB 0.188 31.845 31.700 -0.072 0.000 0.780 57 I N 0.048 120.590 120.570 -0.047 0.000 2.277 57 I HA -0.033 4.137 4.170 -0.001 0.000 0.243 57 I C 2.684 178.849 176.117 0.079 0.000 1.094 57 I CA 1.565 62.874 61.300 0.015 0.000 1.393 57 I CB -2.287 35.742 38.000 0.049 0.000 1.078 57 I HN 0.003 nan 8.210 nan 0.000 0.417 58 G N 0.481 109.293 108.800 0.021 0.000 2.469 58 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 58 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 58 G C 1.775 176.657 174.900 -0.030 0.000 1.150 58 G CA 1.089 46.186 45.100 -0.006 0.000 0.763 58 G HN 0.410 nan 8.290 nan 0.000 0.561 59 C N 0.560 119.824 119.300 -0.060 0.000 2.419 59 C HA 0.021 4.481 4.460 -0.001 0.000 0.283 59 C C 3.176 178.044 174.990 -0.204 0.000 1.373 59 C CA 1.407 60.345 59.018 -0.134 0.000 1.781 59 C CB -1.002 26.708 27.740 -0.050 0.000 1.886 59 C HN 0.454 nan 8.230 nan 0.000 0.520 60 T N -0.350 114.131 114.554 -0.123 0.000 2.777 60 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 60 T C 1.453 176.050 174.700 -0.171 0.000 1.040 60 T CA 1.478 63.503 62.100 -0.126 0.000 1.141 60 T CB -0.350 68.463 68.868 -0.090 0.000 0.868 60 T HN 0.585 nan 8.240 nan 0.000 0.444 61 Y N 1.353 121.522 120.300 -0.219 0.000 2.242 61 Y HA 0.014 4.563 4.550 -0.001 0.000 0.291 61 Y C 2.719 178.409 175.900 -0.351 0.000 1.137 61 Y CA 0.734 58.683 58.100 -0.252 0.000 1.181 61 Y CB -0.480 37.842 38.460 -0.229 0.000 0.989 61 Y HN 0.187 nan 8.280 nan 0.000 0.527 62 A N 0.337 122.964 122.820 -0.321 0.000 1.877 62 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 62 A C 2.224 179.277 177.584 -0.885 0.000 1.186 62 A CA 1.951 53.557 52.037 -0.719 0.000 0.620 62 A CB -0.762 17.507 19.000 -1.219 0.000 0.822 62 A HN 0.435 nan 8.150 nan 0.000 0.443 63 R N -0.415 119.623 120.500 -0.769 0.000 2.082 63 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 63 R C 2.137 178.276 176.300 -0.268 0.000 1.136 63 R CA 1.787 57.610 56.100 -0.462 0.000 0.935 63 R CB -0.361 29.672 30.300 -0.445 0.000 0.842 63 R HN 0.535 nan 8.270 nan 0.000 0.430 64 E N 0.410 120.476 120.200 -0.224 0.000 2.108 64 E HA -0.257 4.092 4.350 -0.001 0.000 0.203 64 E C 2.062 178.594 176.600 -0.115 0.000 1.022 64 E CA 1.785 58.105 56.400 -0.133 0.000 0.823 64 E CB -0.161 29.440 29.700 -0.166 0.000 0.744 64 E HN 0.469 nan 8.360 nan 0.000 0.456 65 L N -0.175 120.947 121.223 -0.168 0.000 2.200 65 L HA -0.049 4.291 4.340 -0.001 0.000 0.200 65 L C 2.589 179.504 176.870 0.075 0.000 1.072 65 L CA 0.246 55.014 54.840 -0.119 0.000 0.787 65 L CB -0.409 41.490 42.059 -0.266 0.000 0.957 65 L HN -0.058 nan 8.230 nan 0.000 0.459 66 V N 0.897 120.794 119.914 -0.030 0.000 2.324 66 V HA -0.271 3.849 4.120 -0.001 0.000 0.250 66 V C 2.567 178.722 176.094 0.102 0.000 1.060 66 V CA 2.188 64.531 62.300 0.071 0.000 1.042 66 V CB -1.356 30.485 31.823 0.030 0.000 0.650 66 V HN 0.606 nan 8.190 nan 0.000 0.450 67 G N -0.917 107.912 108.800 0.049 0.000 2.509 67 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.218 67 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.218 67 G C 1.306 176.249 174.900 0.070 0.000 1.124 67 G CA 0.738 45.869 45.100 0.051 0.000 0.776 67 G HN 0.664 nan 8.290 nan 0.000 0.547 68 A N -0.535 122.364 122.820 0.131 0.000 2.379 68 A HA 0.528 4.848 4.320 -0.001 0.000 0.236 68 A C 1.789 179.437 177.584 0.108 0.000 1.272 68 A CA 1.013 53.149 52.037 0.165 0.000 0.886 68 A CB -0.294 18.883 19.000 0.295 0.000 0.962 68 A HN 1.440 nan 8.150 nan 0.000 0.504 69 G N -1.816 107.043 108.800 0.098 0.000 2.157 69 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 69 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 69 G C -0.039 174.846 174.900 -0.025 0.000 0.979 69 G CA 0.252 45.362 45.100 0.016 0.000 0.650 69 G HN 0.411 nan 8.290 nan 0.000 0.529 70 Y N 0.193 120.525 120.300 0.053 0.000 2.301 70 Y HA 0.489 5.039 4.550 -0.001 0.000 0.328 70 Y C 1.088 177.037 175.900 0.081 0.000 1.242 70 Y CA -0.131 57.999 58.100 0.050 0.000 1.323 70 Y CB 0.786 39.253 38.460 0.012 0.000 1.266 70 Y HN 0.032 nan 8.280 nan 0.000 0.527 71 K N 2.505 123.038 120.400 0.222 0.000 2.250 71 K HA 0.441 4.761 4.320 -0.001 0.000 0.280 71 K C -1.624 175.121 176.600 0.241 0.000 1.098 71 K CA -0.183 56.222 56.287 0.197 0.000 0.916 71 K CB 0.062 32.636 32.500 0.122 0.000 1.209 71 K HN 0.462 nan 8.250 nan 0.000 0.461 72 V N 2.832 122.872 119.914 0.209 0.000 2.483 72 V HA 0.628 4.747 4.120 -0.001 0.000 0.295 72 V C -0.304 175.703 176.094 -0.145 0.000 1.035 72 V CA -0.901 61.458 62.300 0.099 0.000 0.896 72 V CB 1.476 33.412 31.823 0.188 0.000 0.986 72 V HN 0.838 nan 8.190 nan 0.000 0.447 73 A N 5.710 128.292 122.820 -0.396 0.000 2.356 73 A HA 0.895 5.214 4.320 -0.001 0.000 0.310 73 A C -0.766 176.467 177.584 -0.585 0.000 1.075 73 A CA -0.575 51.001 52.037 -0.769 0.000 0.746 73 A CB 1.646 19.748 19.000 -1.498 0.000 1.221 73 A HN 0.869 nan 8.150 nan 0.000 0.443 74 M N 2.580 121.769 119.600 -0.684 0.000 2.393 74 M HA 0.732 5.211 4.480 -0.001 0.000 0.316 74 M C -2.085 173.898 176.300 -0.529 0.000 1.087 74 M CA -0.478 54.596 55.300 -0.378 0.000 0.937 74 M CB 1.142 33.711 32.600 -0.050 0.000 1.668 74 M HN 0.625 nan 8.290 nan 0.000 0.438 75 F N 2.152 122.097 119.950 -0.008 0.000 2.480 75 F HA 0.547 5.073 4.527 -0.001 0.000 0.329 75 F C -0.059 175.735 175.800 -0.010 0.000 1.091 75 F CA -0.514 57.496 58.000 0.016 0.000 0.972 75 F CB 1.426 40.404 39.000 -0.038 0.000 1.150 75 F HN 0.440 nan 8.300 nan 0.000 0.467 76 D N 2.530 123.014 120.400 0.140 0.000 2.879 76 D HA 0.219 4.858 4.640 -0.001 0.000 0.236 76 D C 0.474 176.785 176.300 0.018 0.000 1.171 76 D CA -0.359 53.672 54.000 0.052 0.000 0.868 76 D CB 2.458 43.275 40.800 0.028 0.000 1.598 76 D HN 0.660 nan 8.370 nan 0.000 0.497 77 I N 1.990 122.521 120.570 -0.065 0.000 2.614 77 I HA 0.038 4.208 4.170 -0.001 0.000 0.258 77 I C 1.103 177.154 176.117 -0.110 0.000 1.189 77 I CA 0.804 62.013 61.300 -0.152 0.000 1.462 77 I CB 0.133 37.931 38.000 -0.337 0.000 1.092 77 I HN 0.347 nan 8.210 nan 0.000 0.442 78 G N -0.085 108.680 108.800 -0.058 0.000 2.531 78 G HA2 0.392 4.351 3.960 -0.001 0.000 0.281 78 G HA3 0.392 4.351 3.960 -0.001 0.000 0.281 78 G C -0.899 174.011 174.900 0.018 0.000 1.382 78 G CA -0.445 44.649 45.100 -0.009 0.000 1.045 78 G HN 0.311 nan 8.290 nan 0.000 0.533 79 E N -1.191 119.028 120.200 0.031 0.000 2.299 79 E HA 0.340 4.689 4.350 -0.001 0.000 0.265 79 E C -0.489 176.133 176.600 0.036 0.000 0.911 79 E CA -0.735 55.685 56.400 0.034 0.000 0.789 79 E CB 2.613 32.337 29.700 0.039 0.000 1.246 79 E HN 0.273 nan 8.360 nan 0.000 0.427 80 I N 2.938 123.527 120.570 0.032 0.000 2.664 80 I HA -0.073 4.096 4.170 -0.001 0.000 0.284 80 I C 0.431 176.574 176.117 0.043 0.000 1.154 80 I CA 0.743 62.063 61.300 0.034 0.000 1.402 80 I CB -0.081 37.934 38.000 0.025 0.000 1.395 80 I HN 0.632 nan 8.210 nan 0.000 0.545 81 D N 1.826 122.258 120.400 0.054 0.000 2.410 81 D HA -0.053 4.586 4.640 -0.001 0.000 0.275 81 D C 0.879 177.229 176.300 0.083 0.000 1.152 81 D CA -0.063 53.975 54.000 0.064 0.000 0.825 81 D CB -0.061 40.777 40.800 0.063 0.000 1.312 81 D HN 0.309 nan 8.370 nan 0.000 0.532 82 S N 0.627 116.381 115.700 0.089 0.000 2.786 82 S HA 0.520 4.989 4.470 -0.001 0.000 0.223 82 S C 1.186 175.853 174.600 0.111 0.000 0.956 82 S CA 0.275 58.545 58.200 0.117 0.000 0.961 82 S CB -0.269 63.003 63.200 0.119 0.000 0.784 82 S HN 0.834 nan 8.310 nan 0.000 0.519 83 G N 1.192 110.044 108.800 0.086 0.000 2.512 83 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.210 83 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.210 83 G C 0.249 175.180 174.900 0.053 0.000 1.295 83 G CA -0.312 44.832 45.100 0.073 0.000 0.934 83 G HN 0.247 nan 8.290 nan 0.000 0.554 84 L N 0.296 121.545 121.223 0.043 0.000 2.179 84 L HA 0.101 4.440 4.340 -0.001 0.000 0.208 84 L C 1.523 178.404 176.870 0.018 0.000 1.096 84 L CA 1.035 55.889 54.840 0.023 0.000 0.779 84 L CB -0.386 41.682 42.059 0.014 0.000 0.922 84 L HN 0.381 nan 8.230 nan 0.000 0.443 85 K N 1.709 122.128 120.400 0.032 0.000 2.278 85 K HA 0.233 4.552 4.320 -0.001 0.000 0.289 85 K C -0.302 176.319 176.600 0.035 0.000 1.080 85 K CA -0.165 56.139 56.287 0.028 0.000 0.934 85 K CB 0.429 32.958 32.500 0.048 0.000 1.093 85 K HN 0.090 nan 8.250 nan 0.000 0.459 86 I N 2.051 122.628 120.570 0.011 0.000 2.668 86 I HA -0.072 4.098 4.170 -0.001 0.000 0.285 86 I C 1.397 177.533 176.117 0.031 0.000 1.168 86 I CA 0.860 62.171 61.300 0.019 0.000 1.424 86 I CB 0.370 38.372 38.000 0.004 0.000 1.377 86 I HN 0.935 nan 8.210 nan 0.000 0.560 87 G N 4.190 113.018 108.800 0.047 0.000 2.153 87 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.252 87 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.252 87 G C 0.334 175.278 174.900 0.073 0.000 0.994 87 G CA 0.069 45.199 45.100 0.050 0.000 0.698 87 G HN 0.981 nan 8.290 nan 0.000 0.521 88 A N -0.440 122.440 122.820 0.099 0.000 2.272 88 A HA 0.621 4.940 4.320 -0.001 0.000 0.275 88 A C 0.511 178.208 177.584 0.188 0.000 1.096 88 A CA -0.352 51.779 52.037 0.156 0.000 0.822 88 A CB 0.292 19.385 19.000 0.156 0.000 1.088 88 A HN 0.571 nan 8.150 nan 0.000 0.495 89 H N 0.724 119.912 119.070 0.196 0.000 2.955 89 H HA 0.100 4.656 4.556 -0.001 0.000 0.290 89 H C 0.766 176.204 175.328 0.182 0.000 1.047 89 H CA 0.568 56.740 56.048 0.207 0.000 1.484 89 H CB 0.709 30.601 29.762 0.215 0.000 1.501 89 H HN 0.680 nan 8.280 nan 0.000 0.521 90 K N 3.355 123.957 120.400 0.336 0.000 2.442 90 K HA -0.129 4.191 4.320 -0.001 0.000 0.199 90 K C 1.665 178.488 176.600 0.371 0.000 1.044 90 K CA 0.757 57.286 56.287 0.403 0.000 0.941 90 K CB 0.355 33.133 32.500 0.463 0.000 0.759 90 K HN 0.427 nan 8.250 nan 0.000 0.472 91 K N 0.801 121.261 120.400 0.100 0.000 2.432 91 K HA 0.001 4.320 4.320 -0.001 0.000 0.196 91 K C 0.241 176.820 176.600 -0.034 0.000 1.038 91 K CA 0.294 56.278 56.287 -0.504 0.000 0.986 91 K CB 0.224 32.050 32.500 -1.124 0.000 0.782 91 K HN 0.047 nan 8.250 nan 0.000 0.485 92 N N 1.987 120.790 118.700 0.172 0.000 2.878 92 N HA -0.029 4.710 4.740 -0.001 0.000 0.282 92 N C -0.606 175.164 175.510 0.433 0.000 1.284 92 N CA 0.314 53.522 53.050 0.264 0.000 1.053 92 N CB 0.457 39.123 38.487 0.298 0.000 1.382 92 N HN 0.204 nan 8.380 nan 0.000 0.529 93 T N -4.413 110.380 114.554 0.398 0.000 2.912 93 T HA 0.354 4.703 4.350 -0.001 0.000 0.288 93 T C 1.357 176.288 174.700 0.385 0.000 1.030 93 T CA -0.768 61.536 62.100 0.341 0.000 1.020 93 T CB 1.632 70.637 68.868 0.227 0.000 1.056 93 T HN -0.176 nan 8.240 nan 0.000 0.480 94 V N 1.493 121.557 119.914 0.249 0.000 2.427 94 V HA -0.068 4.051 4.120 -0.001 0.000 0.248 94 V C 2.806 178.979 176.094 0.131 0.000 1.051 94 V CA 2.248 64.675 62.300 0.212 0.000 1.048 94 V CB -0.912 30.935 31.823 0.040 0.000 0.666 94 V HN 1.039 nan 8.190 nan 0.000 0.456 95 E N -0.186 120.032 120.200 0.030 0.000 2.085 95 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 95 E C 1.987 178.535 176.600 -0.087 0.000 0.994 95 E CA 1.826 58.181 56.400 -0.076 0.000 0.801 95 E CB -0.358 29.228 29.700 -0.190 0.000 0.743 95 E HN 0.667 nan 8.360 nan 0.000 0.453 96 Y N 0.650 121.024 120.300 0.123 0.000 2.200 96 Y HA -0.048 4.502 4.550 -0.001 0.000 0.290 96 Y C 2.309 178.245 175.900 0.059 0.000 1.137 96 Y CA 1.449 59.611 58.100 0.103 0.000 1.163 96 Y CB -0.411 38.110 38.460 0.101 0.000 0.988 96 Y HN 0.154 nan 8.280 nan 0.000 0.518 97 Q N -0.194 119.735 119.800 0.214 0.000 2.437 97 Q HA -0.146 4.193 4.340 -0.001 0.000 0.210 97 Q C 1.670 177.744 176.000 0.123 0.000 0.972 97 Q CA 0.947 56.828 55.803 0.130 0.000 0.903 97 Q CB -0.050 28.733 28.738 0.075 0.000 0.967 97 Q HN 0.426 nan 8.270 nan 0.000 0.486 98 K N 0.023 120.495 120.400 0.119 0.000 2.379 98 K HA 0.071 4.391 4.320 -0.001 0.000 0.194 98 K C 0.132 176.778 176.600 0.077 0.000 1.031 98 K CA 0.315 56.652 56.287 0.082 0.000 1.037 98 K CB 0.599 33.133 32.500 0.057 0.000 0.824 98 K HN 0.076 nan 8.250 nan 0.000 0.516 99 N N 0.904 119.670 118.700 0.111 0.000 2.687 99 N HA 0.045 4.785 4.740 -0.001 0.000 0.275 99 N C 0.054 175.680 175.510 0.192 0.000 1.789 99 N CA 0.050 53.173 53.050 0.122 0.000 0.806 99 N CB 1.074 39.620 38.487 0.098 0.000 1.256 99 N HN -0.014 nan 8.380 nan 0.000 0.500 100 I N 2.037 122.694 120.570 0.144 0.000 2.208 100 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 100 I C 1.951 178.149 176.117 0.134 0.000 1.097 100 I CA 1.817 63.197 61.300 0.134 0.000 1.363 100 I CB 0.039 38.073 38.000 0.057 0.000 1.051 100 I HN 0.311 nan 8.210 nan 0.000 0.413 101 D N 0.100 120.562 120.400 0.104 0.000 2.239 101 D HA -0.274 4.366 4.640 -0.001 0.000 0.202 101 D C 1.528 177.883 176.300 0.093 0.000 0.993 101 D CA 1.058 55.106 54.000 0.080 0.000 0.874 101 D CB -0.515 40.326 40.800 0.069 0.000 0.922 101 D HN 0.388 nan 8.370 nan 0.000 0.464 102 K N -0.196 120.302 120.400 0.163 0.000 2.366 102 K HA -0.016 4.303 4.320 -0.001 0.000 0.198 102 K C 1.793 178.462 176.600 0.114 0.000 1.044 102 K CA -0.099 56.300 56.287 0.188 0.000 0.973 102 K CB -0.437 32.248 32.500 0.309 0.000 0.767 102 K HN 0.197 nan 8.250 nan 0.000 0.475 103 F N 1.838 121.724 119.950 -0.107 0.000 2.269 103 F HA -0.183 4.344 4.527 -0.001 0.000 0.301 103 F C 1.911 177.565 175.800 -0.243 0.000 1.082 103 F CA 0.645 58.425 58.000 -0.366 0.000 1.360 103 F CB -0.149 38.594 39.000 -0.430 0.000 1.041 103 F HN -0.301 nan 8.300 nan 0.000 0.512 104 V N 0.438 120.250 119.914 -0.170 0.000 2.370 104 V HA -0.396 3.724 4.120 -0.001 0.000 0.252 104 V C 1.826 177.768 176.094 -0.254 0.000 1.068 104 V CA 2.486 64.664 62.300 -0.204 0.000 1.061 104 V CB -1.041 30.723 31.823 -0.098 0.000 0.656 104 V HN 0.392 nan 8.190 nan 0.000 0.455 105 N N -0.315 118.262 118.700 -0.205 0.000 2.216 105 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 105 N C 1.669 177.036 175.510 -0.239 0.000 1.017 105 N CA 1.085 54.041 53.050 -0.156 0.000 0.861 105 N CB -0.201 38.249 38.487 -0.062 0.000 0.986 105 N HN 0.323 nan 8.380 nan 0.000 0.428 106 V N 1.521 121.193 119.914 -0.405 0.000 2.287 106 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 106 V C 2.031 177.822 176.094 -0.504 0.000 1.053 106 V CA 1.487 63.491 62.300 -0.493 0.000 1.027 106 V CB -0.590 30.706 31.823 -0.879 0.000 0.646 106 V HN 0.309 nan 8.190 nan 0.000 0.447 107 I N -0.121 120.050 120.570 -0.664 0.000 2.127 107 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 107 I C 2.748 178.652 176.117 -0.355 0.000 1.075 107 I CA 1.803 62.758 61.300 -0.575 0.000 1.334 107 I CB -0.635 37.025 38.000 -0.566 0.000 1.040 107 I HN 0.356 nan 8.210 nan 0.000 0.405 108 Q N 0.844 120.494 119.800 -0.250 0.000 2.112 108 Q HA -0.190 4.149 4.340 -0.001 0.000 0.206 108 Q C 2.364 178.297 176.000 -0.111 0.000 0.987 108 Q CA 1.738 57.458 55.803 -0.139 0.000 0.858 108 Q CB -0.661 28.021 28.738 -0.095 0.000 0.905 108 Q HN 0.676 nan 8.270 nan 0.000 0.420 109 G N 1.319 110.043 108.800 -0.126 0.000 2.501 109 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 109 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 109 G C 1.105 175.972 174.900 -0.054 0.000 1.114 109 G CA 1.122 46.175 45.100 -0.078 0.000 0.757 109 G HN 0.556 nan 8.290 nan 0.000 0.559 110 Q N -0.902 118.851 119.800 -0.079 0.000 2.118 110 Q HA 0.403 4.742 4.340 -0.001 0.000 0.219 110 Q C -0.032 175.976 176.000 0.014 0.000 0.794 110 Q CA -0.297 55.496 55.803 -0.016 0.000 1.035 110 Q CB 0.140 28.885 28.738 0.011 0.000 1.177 110 Q HN 0.263 nan 8.270 nan 0.000 0.478 111 L N 2.259 123.472 121.223 -0.017 0.000 2.272 111 L HA 0.459 4.798 4.340 -0.001 0.000 0.284 111 L C -0.874 176.026 176.870 0.049 0.000 1.045 111 L CA -0.759 54.099 54.840 0.029 0.000 0.842 111 L CB 0.901 42.960 42.059 -0.000 0.000 1.224 111 L HN 0.192 nan 8.230 nan 0.000 0.430 112 M N 2.202 121.852 119.600 0.084 0.000 2.080 112 M HA 0.246 4.726 4.480 -0.001 0.000 0.350 112 M C 0.315 176.674 176.300 0.098 0.000 1.173 112 M CA -0.128 55.224 55.300 0.088 0.000 1.052 112 M CB 1.233 33.901 32.600 0.113 0.000 1.577 112 M HN 0.303 nan 8.290 nan 0.000 0.455 113 S N 1.786 117.530 115.700 0.073 0.000 2.558 113 S HA 0.125 4.594 4.470 -0.001 0.000 0.288 113 S C 1.541 176.194 174.600 0.088 0.000 1.318 113 S CA -0.668 57.576 58.200 0.074 0.000 1.056 113 S CB 0.647 63.876 63.200 0.048 0.000 0.853 113 S HN 0.573 nan 8.310 nan 0.000 0.505 114 V N 2.034 122.014 119.914 0.110 0.000 2.283 114 V HA 0.006 4.125 4.120 -0.001 0.000 0.243 114 V C 1.193 177.305 176.094 0.030 0.000 1.039 114 V CA 1.516 63.874 62.300 0.097 0.000 1.016 114 V CB -0.013 31.924 31.823 0.190 0.000 0.650 114 V HN 0.811 nan 8.190 nan 0.000 0.449 115 S N -0.652 115.082 115.700 0.056 0.000 2.736 115 S HA 0.545 5.014 4.470 -0.001 0.000 0.285 115 S C -1.208 173.401 174.600 0.016 0.000 1.163 115 S CA -0.474 57.721 58.200 -0.008 0.000 1.025 115 S CB 1.539 64.702 63.200 -0.063 0.000 1.030 115 S HN 0.008 nan 8.310 nan 0.000 0.486 116 V N 7.822 127.731 119.914 -0.007 0.000 2.378 116 V HA 0.561 4.680 4.120 -0.001 0.000 0.288 116 V C -1.952 174.128 176.094 -0.023 0.000 1.016 116 V CA -1.774 60.521 62.300 -0.008 0.000 0.840 116 V CB 1.578 33.397 31.823 -0.007 0.000 0.994 116 V HN 0.733 nan 8.190 nan 0.000 0.431 117 P HA 0.143 nan 4.420 nan 0.000 0.273 117 P C -0.156 177.120 177.300 -0.040 0.000 1.250 117 P CA -0.114 62.968 63.100 -0.030 0.000 0.793 117 P CB 0.933 32.615 31.700 -0.030 0.000 1.011 118 V N 2.461 122.353 119.914 -0.035 0.000 2.540 118 V HA -0.033 4.087 4.120 -0.001 0.000 0.297 118 V C 1.340 177.378 176.094 -0.093 0.000 1.024 118 V CA 0.111 62.387 62.300 -0.041 0.000 1.105 118 V CB -0.762 31.061 31.823 -0.001 0.000 0.938 118 V HN 0.613 nan 8.190 nan 0.000 0.482 119 N N 3.872 122.509 118.700 -0.104 0.000 2.492 119 N HA 0.050 4.790 4.740 -0.001 0.000 0.262 119 N C 0.652 175.976 175.510 -0.311 0.000 1.202 119 N CA 0.682 53.645 53.050 -0.146 0.000 0.926 119 N CB 1.418 39.852 38.487 -0.089 0.000 1.078 119 N HN 0.862 nan 8.380 nan 0.000 0.454 120 T N 0.487 114.756 114.554 -0.475 0.000 3.275 120 T HA 0.245 4.595 4.350 -0.001 0.000 0.298 120 T C 0.838 175.164 174.700 -0.624 0.000 0.988 120 T CA -0.465 60.944 62.100 -1.152 0.000 0.936 120 T CB -0.315 67.959 68.868 -0.991 0.000 1.159 120 T HN 0.273 nan 8.240 nan 0.000 0.519 121 L N 2.122 123.204 121.223 -0.234 0.000 2.485 121 L HA 0.288 4.627 4.340 -0.001 0.000 0.275 121 L C 0.134 177.069 176.870 0.108 0.000 1.207 121 L CA -0.435 54.376 54.840 -0.048 0.000 0.855 121 L CB 0.619 42.668 42.059 -0.016 0.000 1.114 121 L HN 0.097 nan 8.230 nan 0.000 0.485 122 V N 4.373 124.358 119.914 0.118 0.000 2.383 122 V HA 0.182 4.301 4.120 -0.001 0.000 0.275 122 V C 0.194 176.354 176.094 0.110 0.000 1.036 122 V CA -0.470 61.936 62.300 0.176 0.000 0.889 122 V CB 1.623 33.529 31.823 0.137 0.000 0.985 122 V HN 0.427 nan 8.190 nan 0.000 0.459 123 V N 5.275 125.255 119.914 0.110 0.000 2.275 123 V HA 0.317 4.436 4.120 -0.001 0.000 0.272 123 V C 0.202 176.325 176.094 0.048 0.000 1.028 123 V CA -0.434 61.909 62.300 0.071 0.000 0.810 123 V CB 1.144 33.013 31.823 0.076 0.000 1.043 123 V HN 1.058 nan 8.190 nan 0.000 0.453 124 D N 1.881 122.302 120.400 0.036 0.000 2.462 124 D HA -0.001 4.639 4.640 -0.001 0.000 0.221 124 D C 1.178 177.486 176.300 0.013 0.000 1.173 124 D CA 0.248 54.259 54.000 0.018 0.000 0.831 124 D CB 0.426 41.236 40.800 0.015 0.000 1.001 124 D HN 0.538 nan 8.370 nan 0.000 0.499 125 T N -1.800 112.766 114.554 0.020 0.000 3.215 125 T HA 0.323 4.673 4.350 -0.001 0.000 0.271 125 T C 0.732 175.444 174.700 0.020 0.000 1.012 125 T CA -0.566 61.545 62.100 0.017 0.000 0.899 125 T CB -0.301 68.579 68.868 0.019 0.000 1.089 125 T HN 0.020 nan 8.240 nan 0.000 0.552 126 L N 1.942 123.179 121.223 0.022 0.000 2.467 126 L HA 0.317 4.656 4.340 -0.001 0.000 0.270 126 L C 1.154 178.035 176.870 0.018 0.000 1.205 126 L CA -0.549 54.307 54.840 0.027 0.000 0.828 126 L CB 0.413 42.492 42.059 0.032 0.000 1.101 126 L HN 0.229 nan 8.230 nan 0.000 0.479 127 S N 1.966 117.680 115.700 0.023 0.000 2.573 127 S HA 0.111 4.580 4.470 -0.001 0.000 0.277 127 S C -1.521 173.085 174.600 0.010 0.000 1.346 127 S CA -0.983 57.228 58.200 0.017 0.000 1.034 127 S CB 0.758 63.972 63.200 0.024 0.000 0.879 127 S HN 0.404 nan 8.310 nan 0.000 0.528 128 P HA 0.018 nan 4.420 nan 0.000 0.230 128 P C 1.187 178.485 177.300 -0.004 0.000 1.158 128 P CA 0.858 63.952 63.100 -0.009 0.000 0.769 128 P CB -0.230 31.464 31.700 -0.011 0.000 0.807 129 T N -5.346 109.215 114.554 0.012 0.000 3.088 129 T HA 0.100 4.449 4.350 -0.001 0.000 0.259 129 T C 1.047 175.775 174.700 0.047 0.000 1.122 129 T CA 0.115 62.230 62.100 0.024 0.000 1.095 129 T CB -0.529 68.355 68.868 0.028 0.000 0.930 129 T HN -0.112 nan 8.240 nan 0.000 0.508 130 S N 1.079 116.810 115.700 0.051 0.000 2.592 130 S HA 0.339 4.808 4.470 -0.001 0.000 0.271 130 S C -0.621 174.051 174.600 0.119 0.000 1.326 130 S CA -1.010 57.248 58.200 0.097 0.000 1.024 130 S CB 0.281 63.535 63.200 0.090 0.000 0.921 130 S HN 0.612 nan 8.310 nan 0.000 0.527 131 W N 2.824 124.135 121.300 0.018 0.000 2.308 131 W HA 0.258 4.918 4.660 -0.001 0.000 0.324 131 W C 0.153 176.690 176.519 0.030 0.000 1.387 131 W CA 0.092 57.448 57.345 0.018 0.000 1.250 131 W CB 0.214 29.686 29.460 0.020 0.000 1.257 131 W HN 0.531 nan 8.180 nan 0.000 0.554 132 Q N 5.279 124.712 119.800 -0.612 0.000 2.337 132 Q HA 0.604 4.944 4.340 -0.001 0.000 0.270 132 Q C -0.586 174.866 176.000 -0.912 0.000 1.043 132 Q CA -0.850 54.666 55.803 -0.478 0.000 0.794 132 Q CB 1.698 30.264 28.738 -0.286 0.000 1.281 132 Q HN 0.623 nan 8.270 nan 0.000 0.446 133 A N 2.476 125.012 122.820 -0.474 0.000 2.445 133 A HA 0.239 4.558 4.320 -0.001 0.000 0.242 133 A C 0.481 177.887 177.584 -0.297 0.000 1.075 133 A CA -0.004 51.844 52.037 -0.315 0.000 0.777 133 A CB 0.683 19.788 19.000 0.174 0.000 1.013 133 A HN 0.906 nan 8.150 nan 0.000 0.493 134 S N -0.557 114.999 115.700 -0.242 0.000 2.486 134 S HA 0.110 4.579 4.470 -0.001 0.000 0.220 134 S C 0.873 175.367 174.600 -0.177 0.000 1.011 134 S CA 0.929 59.013 58.200 -0.194 0.000 0.921 134 S CB -0.045 63.056 63.200 -0.164 0.000 0.785 134 S HN 1.118 nan 8.310 nan 0.000 0.517 135 T N -1.124 113.367 114.554 -0.104 0.000 2.883 135 T HA 0.625 4.974 4.350 -0.001 0.000 0.296 135 T C -0.861 173.823 174.700 -0.026 0.000 1.117 135 T CA -0.773 61.263 62.100 -0.108 0.000 1.006 135 T CB 0.716 69.625 68.868 0.068 0.000 1.191 135 T HN -0.077 nan 8.240 nan 0.000 0.508 136 F N 3.280 123.324 119.950 0.158 0.000 2.651 136 F HA 0.363 4.890 4.527 -0.001 0.000 0.347 136 F C 0.459 176.341 175.800 0.138 0.000 1.284 136 F CA -1.667 56.396 58.000 0.104 0.000 1.175 136 F CB -1.156 37.868 39.000 0.040 0.000 1.542 136 F HN 0.562 nan 8.300 nan 0.000 0.661 137 F N -0.579 119.490 119.950 0.198 0.000 2.362 137 F HA 0.671 5.197 4.527 -0.001 0.000 0.311 137 F C -0.181 175.696 175.800 0.128 0.000 1.161 137 F CA -1.726 56.359 58.000 0.143 0.000 1.085 137 F CB -0.096 38.979 39.000 0.125 0.000 1.311 137 F HN -0.186 nan 8.300 nan 0.000 0.524 138 V N 2.685 122.735 119.914 0.227 0.000 2.387 138 V HA 0.330 4.449 4.120 -0.001 0.000 0.260 138 V C 0.074 176.160 176.094 -0.012 0.000 1.054 138 V CA -0.194 62.147 62.300 0.069 0.000 0.967 138 V CB -0.406 31.484 31.823 0.112 0.000 1.036 138 V HN 0.680 nan 8.190 nan 0.000 0.481 139 R N 3.743 124.138 120.500 -0.175 0.000 2.832 139 R HA 0.487 4.826 4.340 -0.001 0.000 0.271 139 R C 0.493 176.748 176.300 -0.076 0.000 0.996 139 R CA -0.879 55.112 56.100 -0.183 0.000 0.977 139 R CB 0.837 30.928 30.300 -0.349 0.000 1.168 139 R HN 0.683 nan 8.270 nan 0.000 0.482 140 N N 0.648 119.323 118.700 -0.042 0.000 2.710 140 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 140 N C 0.480 175.979 175.510 -0.018 0.000 1.059 140 N CA 1.595 54.630 53.050 -0.026 0.000 0.720 140 N CB -1.074 37.394 38.487 -0.032 0.000 0.983 140 N HN 1.049 nan 8.380 nan 0.000 0.544 141 G N -2.197 106.597 108.800 -0.011 0.000 2.175 141 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.244 141 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.244 141 G C 0.200 175.097 174.900 -0.005 0.000 0.982 141 G CA 0.587 45.684 45.100 -0.005 0.000 0.641 141 G HN 1.204 nan 8.290 nan 0.000 0.527 142 S N -0.215 115.476 115.700 -0.014 0.000 2.579 142 S HA 0.481 4.950 4.470 -0.001 0.000 0.275 142 S C 0.090 174.684 174.600 -0.010 0.000 1.345 142 S CA 0.058 58.248 58.200 -0.017 0.000 1.031 142 S CB 1.786 64.968 63.200 -0.031 0.000 0.892 142 S HN 0.573 nan 8.310 nan 0.000 0.529 143 N N 2.458 121.145 118.700 -0.022 0.000 2.527 143 N HA 0.352 5.091 4.740 -0.001 0.000 0.236 143 N C -1.618 173.880 175.510 -0.020 0.000 0.999 143 N CA -2.544 50.487 53.050 -0.032 0.000 0.935 143 N CB 1.115 39.556 38.487 -0.077 0.000 1.132 143 N HN 0.355 nan 8.380 nan 0.000 0.511 144 P HA -0.074 nan 4.420 nan 0.000 0.223 144 P C 0.393 177.719 177.300 0.043 0.000 1.151 144 P CA 0.951 64.072 63.100 0.036 0.000 0.787 144 P CB 0.563 32.298 31.700 0.059 0.000 0.788 145 E N -0.220 119.994 120.200 0.024 0.000 2.274 145 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 145 E C 0.940 177.562 176.600 0.037 0.000 0.996 145 E CA 0.632 57.069 56.400 0.062 0.000 0.840 145 E CB -0.208 29.486 29.700 -0.009 0.000 0.772 145 E HN 0.298 nan 8.360 nan 0.000 0.491 146 Q N 2.238 122.021 119.800 -0.029 0.000 2.314 146 Q HA 0.033 4.372 4.340 -0.001 0.000 0.257 146 Q C -0.865 175.146 176.000 0.018 0.000 0.975 146 Q CA -0.221 55.562 55.803 -0.034 0.000 0.933 146 Q CB 0.762 29.463 28.738 -0.062 0.000 1.195 146 Q HN -0.186 nan 8.270 nan 0.000 0.426 147 D N 6.120 126.549 120.400 0.049 0.000 2.382 147 D HA 0.012 4.651 4.640 -0.001 0.000 0.259 147 D C -1.663 174.652 176.300 0.025 0.000 1.224 147 D CA -1.655 52.371 54.000 0.044 0.000 0.894 147 D CB 1.177 42.016 40.800 0.064 0.000 1.127 147 D HN 0.440 nan 8.370 nan 0.000 0.487 148 P HA -0.075 nan 4.420 nan 0.000 0.226 148 P C 1.142 178.442 177.300 -0.000 0.000 1.153 148 P CA 0.613 63.709 63.100 -0.006 0.000 0.777 148 P CB 0.334 32.018 31.700 -0.026 0.000 0.794 149 L N -1.069 120.158 121.223 0.007 0.000 2.628 149 L HA 0.210 4.550 4.340 -0.001 0.000 0.229 149 L C 1.304 178.184 176.870 0.017 0.000 1.137 149 L CA 0.177 55.021 54.840 0.007 0.000 0.909 149 L CB -0.109 41.950 42.059 0.001 0.000 1.137 149 L HN -0.165 nan 8.230 nan 0.000 0.470 150 R N -0.019 120.501 120.500 0.032 0.000 2.711 150 R HA 0.218 4.557 4.340 -0.001 0.000 0.350 150 R C -0.571 175.778 176.300 0.082 0.000 1.146 150 R CA -0.278 55.852 56.100 0.050 0.000 1.190 150 R CB 0.375 30.704 30.300 0.049 0.000 1.312 150 R HN 0.024 nan 8.270 nan 0.000 0.635 151 N N 0.596 119.324 118.700 0.047 0.000 2.432 151 N HA 0.389 5.129 4.740 -0.001 0.000 0.292 151 N C -0.771 174.658 175.510 -0.135 0.000 1.193 151 N CA -0.668 52.393 53.050 0.018 0.000 0.878 151 N CB 1.295 39.796 38.487 0.022 0.000 1.252 151 N HN 0.107 nan 8.380 nan 0.000 0.520 152 L N 2.152 123.140 121.223 -0.392 0.000 2.494 152 L HA 0.234 4.573 4.340 -0.001 0.000 0.251 152 L C 1.319 178.006 176.870 -0.305 0.000 1.119 152 L CA -0.296 54.195 54.840 -0.581 0.000 1.026 152 L CB 0.436 41.739 42.059 -1.260 0.000 1.370 152 L HN 0.663 nan 8.230 nan 0.000 0.426 153 S N -0.493 115.125 115.700 -0.137 0.000 2.447 153 S HA -0.100 4.370 4.470 -0.001 0.000 0.233 153 S C 1.800 176.372 174.600 -0.048 0.000 1.006 153 S CA 0.893 59.061 58.200 -0.054 0.000 0.957 153 S CB -0.113 63.066 63.200 -0.034 0.000 0.773 153 S HN 0.628 nan 8.310 nan 0.000 0.507 154 G N 0.542 109.295 108.800 -0.079 0.000 2.623 154 G HA2 0.063 4.023 3.960 -0.001 0.000 0.214 154 G HA3 0.063 4.023 3.960 -0.001 0.000 0.214 154 G C 0.604 175.486 174.900 -0.031 0.000 1.138 154 G CA -0.274 44.795 45.100 -0.051 0.000 0.794 154 G HN 0.382 nan 8.290 nan 0.000 0.535 155 Q N 0.569 120.324 119.800 -0.076 0.000 2.304 155 Q HA 0.414 4.754 4.340 -0.001 0.000 0.301 155 Q C -0.053 175.999 176.000 0.087 0.000 1.063 155 Q CA 0.531 56.332 55.803 -0.002 0.000 0.947 155 Q CB 1.153 29.866 28.738 -0.041 0.000 1.201 155 Q HN 0.317 nan 8.270 nan 0.000 0.389 156 A N 1.899 124.788 122.820 0.115 0.000 2.606 156 A HA 0.704 5.023 4.320 -0.001 0.000 0.293 156 A C -1.000 176.681 177.584 0.161 0.000 1.082 156 A CA -0.543 51.571 52.037 0.127 0.000 0.685 156 A CB 1.349 20.410 19.000 0.102 0.000 1.284 156 A HN 0.480 nan 8.150 nan 0.000 0.408 157 V N -1.870 118.149 119.914 0.175 0.000 3.001 157 V HA 0.951 5.071 4.120 -0.001 0.000 0.314 157 V C -0.434 175.769 176.094 0.182 0.000 1.099 157 V CA -0.512 61.912 62.300 0.207 0.000 0.989 157 V CB 1.658 33.664 31.823 0.305 0.000 1.040 157 V HN 0.893 nan 8.190 nan 0.000 0.434 158 T N 2.894 117.551 114.554 0.172 0.000 2.812 158 T HA 0.552 4.902 4.350 -0.001 0.000 0.282 158 T C -0.256 174.499 174.700 0.092 0.000 0.990 158 T CA -0.448 61.739 62.100 0.144 0.000 0.960 158 T CB 1.079 70.064 68.868 0.195 0.000 0.948 158 T HN 0.759 nan 8.240 nan 0.000 0.438 159 R N 2.682 123.224 120.500 0.071 0.000 2.575 159 R HA 0.571 4.911 4.340 -0.001 0.000 0.281 159 R C -0.640 175.679 176.300 0.031 0.000 1.272 159 R CA -0.537 55.576 56.100 0.021 0.000 1.417 159 R CB 0.520 30.817 30.300 -0.006 0.000 1.121 159 R HN 0.514 nan 8.270 nan 0.000 0.583 160 V N -2.017 117.914 119.914 0.028 0.000 3.147 160 V HA 0.402 4.521 4.120 -0.001 0.000 0.299 160 V C -0.134 175.975 176.094 0.024 0.000 1.302 160 V CA -1.155 61.166 62.300 0.034 0.000 1.015 160 V CB 1.913 33.767 31.823 0.051 0.000 1.086 160 V HN 0.081 nan 8.190 nan 0.000 0.437 161 V N 3.619 123.549 119.914 0.028 0.000 2.599 161 V HA 0.525 4.645 4.120 -0.001 0.000 0.300 161 V C 1.702 177.810 176.094 0.023 0.000 1.034 161 V CA 2.031 64.347 62.300 0.026 0.000 1.115 161 V CB 0.207 32.049 31.823 0.032 0.000 0.934 161 V HN 2.098 nan 8.190 nan 0.000 0.485 162 G N 3.235 112.043 108.800 0.013 0.000 2.232 162 G HA2 0.032 3.991 3.960 -0.001 0.000 0.226 162 G HA3 0.032 3.991 3.960 -0.001 0.000 0.226 162 G C 1.003 175.872 174.900 -0.052 0.000 0.996 162 G CA 0.268 45.363 45.100 -0.008 0.000 0.626 162 G HN 2.150 nan 8.290 nan 0.000 0.509 163 G N 0.035 108.815 108.800 -0.034 0.000 2.566 163 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.280 163 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.280 163 G C 1.072 175.912 174.900 -0.099 0.000 1.225 163 G CA 1.068 46.140 45.100 -0.046 0.000 0.966 163 G HN 1.069 nan 8.290 nan 0.000 0.560 164 M N 1.562 121.057 119.600 -0.175 0.000 2.558 164 M HA 0.059 4.538 4.480 -0.001 0.000 0.255 164 M C 2.698 178.626 176.300 -0.619 0.000 1.113 164 M CA 1.481 56.522 55.300 -0.431 0.000 1.097 164 M CB -0.034 32.413 32.600 -0.255 0.000 1.426 164 M HN 0.741 nan 8.290 nan 0.000 0.488 165 S N -0.207 115.191 115.700 -0.503 0.000 2.507 165 S HA -0.091 4.378 4.470 -0.001 0.000 0.235 165 S C 1.731 176.176 174.600 -0.259 0.000 0.988 165 S CA 1.381 59.184 58.200 -0.662 0.000 0.944 165 S CB -0.909 61.946 63.200 -0.575 0.000 0.762 165 S HN 0.576 nan 8.310 nan 0.000 0.526 166 T N -0.746 113.667 114.554 -0.234 0.000 3.160 166 T HA 0.040 4.389 4.350 -0.001 0.000 0.257 166 T C 1.369 175.975 174.700 -0.157 0.000 1.147 166 T CA 0.871 62.875 62.100 -0.159 0.000 1.064 166 T CB -0.671 68.194 68.868 -0.004 0.000 0.949 166 T HN 0.913 nan 8.240 nan 0.000 0.526 167 H N -2.208 116.786 119.070 -0.127 0.000 3.794 167 H HA 0.180 4.735 4.556 -0.001 0.000 0.258 167 H C 0.667 176.123 175.328 0.213 0.000 1.120 167 H CA -0.902 55.185 56.048 0.064 0.000 1.166 167 H CB -0.609 29.209 29.762 0.094 0.000 1.517 167 H HN 0.470 nan 8.280 nan 0.000 0.615 168 W N 3.711 124.919 121.300 -0.154 0.000 2.124 168 W HA 0.208 4.867 4.660 -0.001 0.000 0.356 168 W C 0.616 177.153 176.519 0.030 0.000 1.302 168 W CA 0.190 57.529 57.345 -0.010 0.000 1.293 168 W CB -0.229 29.183 29.460 -0.080 0.000 1.199 168 W HN 0.091 nan 8.180 nan 0.000 0.606 169 S N -0.553 114.998 115.700 -0.248 0.000 2.593 169 S HA 0.088 4.558 4.470 -0.001 0.000 0.217 169 S C 0.839 175.002 174.600 -0.728 0.000 0.966 169 S CA 0.318 58.195 58.200 -0.539 0.000 0.914 169 S CB -1.089 61.936 63.200 -0.291 0.000 0.776 169 S HN 0.729 nan 8.310 nan 0.000 0.523 170 C N 1.023 119.509 119.300 -1.358 0.000 4.417 170 C HA -0.117 4.342 4.460 -0.001 0.000 0.284 170 C C 1.097 175.624 174.990 -0.772 0.000 1.379 170 C CA -0.089 57.865 59.018 -1.773 0.000 1.918 170 C CB -2.869 24.288 27.740 -0.972 0.000 1.280 170 C HN 0.912 nan 8.230 nan 0.000 0.783 171 A N 0.936 123.520 122.820 -0.393 0.000 2.354 171 A HA 0.600 4.920 4.320 -0.001 0.000 0.281 171 A C 0.752 178.288 177.584 -0.080 0.000 1.174 171 A CA 0.905 52.862 52.037 -0.135 0.000 0.828 171 A CB 0.268 19.268 19.000 -0.001 0.000 1.099 171 A HN 1.305 nan 8.150 nan 0.000 0.516 172 T N 1.478 115.992 114.554 -0.066 0.000 3.466 172 T HA 0.501 4.850 4.350 -0.001 0.000 0.297 172 T C -2.624 172.048 174.700 -0.046 0.000 1.640 172 T CA -1.453 60.638 62.100 -0.015 0.000 1.631 172 T CB 0.488 69.377 68.868 0.034 0.000 0.928 172 T HN 0.471 nan 8.240 nan 0.000 0.688 173 P HA 0.402 nan 4.420 nan 0.000 0.281 173 P C -0.296 176.882 177.300 -0.203 0.000 1.249 173 P CA -0.636 62.382 63.100 -0.136 0.000 0.810 173 P CB 1.323 32.903 31.700 -0.200 0.000 1.008 174 R N 1.108 121.408 120.500 -0.332 0.000 2.528 174 R HA 0.446 4.786 4.340 -0.001 0.000 0.271 174 R C 0.073 176.276 176.300 -0.163 0.000 1.056 174 R CA -0.558 55.142 56.100 -0.666 0.000 1.117 174 R CB 0.325 30.079 30.300 -0.911 0.000 1.085 174 R HN 0.388 nan 8.270 nan 0.000 0.530 175 F N 1.591 121.348 119.950 -0.321 0.000 2.384 175 F HA 0.077 4.603 4.527 -0.001 0.000 0.338 175 F C 0.861 176.497 175.800 -0.274 0.000 1.103 175 F CA -1.482 56.348 58.000 -0.283 0.000 1.157 175 F CB 0.493 39.314 39.000 -0.298 0.000 1.167 175 F HN 0.536 nan 8.300 nan 0.000 0.529 176 D N 1.737 122.086 120.400 -0.084 0.000 2.423 176 D HA 0.197 4.836 4.640 -0.001 0.000 0.255 176 D C 1.111 177.329 176.300 -0.137 0.000 1.174 176 D CA -0.496 53.444 54.000 -0.100 0.000 1.008 176 D CB 0.529 41.283 40.800 -0.077 0.000 1.101 176 D HN 0.427 nan 8.370 nan 0.000 0.516 177 R N -0.150 120.292 120.500 -0.097 0.000 2.133 177 R HA -0.227 4.113 4.340 -0.001 0.000 0.245 177 R C 2.028 178.264 176.300 -0.107 0.000 1.137 177 R CA 2.266 58.312 56.100 -0.091 0.000 0.947 177 R CB -0.320 29.962 30.300 -0.031 0.000 0.865 177 R HN 0.628 nan 8.270 nan 0.000 0.437 178 E N 0.003 120.143 120.200 -0.101 0.000 2.147 178 E HA -0.268 4.082 4.350 -0.001 0.000 0.199 178 E C 1.831 178.316 176.600 -0.192 0.000 1.005 178 E CA 1.486 57.826 56.400 -0.101 0.000 0.810 178 E CB 0.003 29.672 29.700 -0.052 0.000 0.736 178 E HN 0.477 nan 8.360 nan 0.000 0.460 179 Q N -0.438 119.161 119.800 -0.336 0.000 2.319 179 Q HA 0.110 4.449 4.340 -0.001 0.000 0.202 179 Q C 0.449 176.321 176.000 -0.213 0.000 0.896 179 Q CA -0.098 55.442 55.803 -0.439 0.000 0.942 179 Q CB 0.588 28.785 28.738 -0.901 0.000 1.083 179 Q HN -0.027 nan 8.270 nan 0.000 0.510 180 R N 2.112 122.523 120.500 -0.147 0.000 2.460 180 R HA 0.303 4.643 4.340 -0.001 0.000 0.303 180 R C -2.533 173.710 176.300 -0.095 0.000 0.968 180 R CA -2.072 53.923 56.100 -0.174 0.000 0.889 180 R CB 1.081 31.100 30.300 -0.468 0.000 1.123 180 R HN -0.109 nan 8.270 nan 0.000 0.455 181 P HA 0.078 nan 4.420 nan 0.000 0.274 181 P C -0.613 176.842 177.300 0.259 0.000 1.231 181 P CA -0.233 62.942 63.100 0.125 0.000 0.790 181 P CB 0.844 32.635 31.700 0.152 0.000 0.951 182 L N 2.292 123.655 121.223 0.235 0.000 2.397 182 L HA 0.145 4.484 4.340 -0.001 0.000 0.271 182 L C 1.623 178.679 176.870 0.310 0.000 1.148 182 L CA -0.097 54.956 54.840 0.356 0.000 0.825 182 L CB 0.160 42.479 42.059 0.433 0.000 1.117 182 L HN 0.377 nan 8.230 nan 0.000 0.456 183 L N 3.251 124.695 121.223 0.368 0.000 2.749 183 L HA 0.225 4.564 4.340 -0.001 0.000 0.242 183 L C -0.452 176.594 176.870 0.293 0.000 1.103 183 L CA 0.078 55.013 54.840 0.159 0.000 0.906 183 L CB 0.902 42.852 42.059 -0.182 0.000 1.228 183 L HN 0.302 nan 8.230 nan 0.000 0.517 184 V N 0.263 120.361 119.914 0.307 0.000 2.482 184 V HA 0.361 4.480 4.120 -0.001 0.000 0.295 184 V C -0.141 176.044 176.094 0.153 0.000 1.026 184 V CA -1.036 61.386 62.300 0.203 0.000 0.856 184 V CB 1.766 33.651 31.823 0.103 0.000 1.001 184 V HN -0.074 nan 8.190 nan 0.000 0.424 185 K N 2.620 122.996 120.400 -0.040 0.000 2.382 185 K HA 0.200 4.520 4.320 -0.001 0.000 0.275 185 K C 0.456 177.026 176.600 -0.050 0.000 1.009 185 K CA 0.536 56.745 56.287 -0.130 0.000 0.970 185 K CB 0.288 32.553 32.500 -0.390 0.000 0.934 185 K HN 0.833 nan 8.250 nan 0.000 0.479 186 D N 0.691 121.080 120.400 -0.018 0.000 3.077 186 D HA -0.202 4.438 4.640 -0.001 0.000 0.212 186 D C -0.689 175.616 176.300 0.008 0.000 1.125 186 D CA 1.163 55.157 54.000 -0.011 0.000 0.970 186 D CB -0.643 40.136 40.800 -0.036 0.000 1.110 186 D HN 0.557 nan 8.370 nan 0.000 0.419 187 D N -1.227 119.190 120.400 0.028 0.000 2.318 187 D HA 0.525 5.165 4.640 -0.001 0.000 0.233 187 D C 0.749 177.085 176.300 0.060 0.000 1.348 187 D CA 0.242 54.264 54.000 0.036 0.000 0.983 187 D CB 0.812 41.629 40.800 0.029 0.000 1.416 187 D HN -0.021 nan 8.370 nan 0.000 0.558 188 A N 2.934 125.789 122.820 0.059 0.000 1.872 188 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 188 A C 1.631 179.262 177.584 0.079 0.000 1.187 188 A CA 1.255 53.337 52.037 0.075 0.000 0.614 188 A CB -0.123 18.913 19.000 0.060 0.000 0.826 188 A HN 0.492 nan 8.150 nan 0.000 0.442 189 D N 0.390 120.826 120.400 0.060 0.000 2.149 189 D HA -0.165 4.474 4.640 -0.001 0.000 0.194 189 D C 2.125 178.465 176.300 0.066 0.000 1.001 189 D CA 1.799 55.834 54.000 0.058 0.000 0.849 189 D CB -0.422 40.403 40.800 0.042 0.000 0.939 189 D HN 0.448 nan 8.370 nan 0.000 0.449 190 A N 0.543 123.400 122.820 0.061 0.000 1.929 190 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 190 A C 1.953 179.586 177.584 0.081 0.000 1.176 190 A CA 1.741 53.812 52.037 0.057 0.000 0.628 190 A CB -0.512 18.514 19.000 0.042 0.000 0.816 190 A HN 0.145 nan 8.150 nan 0.000 0.444 191 D N 0.089 120.562 120.400 0.120 0.000 2.104 191 D HA -0.180 4.460 4.640 -0.001 0.000 0.194 191 D C 1.278 177.735 176.300 0.263 0.000 0.994 191 D CA 1.714 55.834 54.000 0.200 0.000 0.830 191 D CB -0.153 40.790 40.800 0.238 0.000 0.959 191 D HN 0.334 nan 8.370 nan 0.000 0.452 192 D N -0.694 119.829 120.400 0.206 0.000 2.117 192 D HA -0.054 4.585 4.640 -0.001 0.000 0.198 192 D C 1.919 178.326 176.300 0.178 0.000 0.982 192 D CA 1.386 55.510 54.000 0.207 0.000 0.828 192 D CB -0.426 40.453 40.800 0.131 0.000 0.967 192 D HN 0.316 nan 8.370 nan 0.000 0.464 193 A N 0.534 123.421 122.820 0.112 0.000 1.897 193 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 193 A C 2.117 179.731 177.584 0.049 0.000 1.181 193 A CA 1.681 53.763 52.037 0.074 0.000 0.620 193 A CB -0.480 18.547 19.000 0.045 0.000 0.821 193 A HN 0.162 nan 8.150 nan 0.000 0.443 194 E N -0.647 119.563 120.200 0.017 0.000 2.038 194 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 194 E C 1.663 178.179 176.600 -0.140 0.000 1.000 194 E CA 1.837 58.184 56.400 -0.087 0.000 0.803 194 E CB -0.495 29.115 29.700 -0.151 0.000 0.750 194 E HN 0.701 nan 8.360 nan 0.000 0.448 195 W N 0.789 122.062 121.300 -0.044 0.000 2.342 195 W HA -0.163 4.497 4.660 -0.001 0.000 0.297 195 W C 2.205 178.738 176.519 0.023 0.000 1.213 195 W CA 1.451 58.744 57.345 -0.088 0.000 1.251 195 W CB -0.464 28.995 29.460 -0.001 0.000 1.136 195 W HN 0.307 nan 8.180 nan 0.000 0.526 196 D N -0.209 120.355 120.400 0.274 0.000 2.144 196 D HA -0.199 4.440 4.640 -0.001 0.000 0.200 196 D C 2.157 178.533 176.300 0.127 0.000 0.978 196 D CA 1.436 55.573 54.000 0.228 0.000 0.833 196 D CB -0.175 40.713 40.800 0.147 0.000 0.961 196 D HN 0.010 nan 8.370 nan 0.000 0.470 197 R N -0.237 120.286 120.500 0.038 0.000 2.066 197 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 197 R C 2.421 178.674 176.300 -0.077 0.000 1.131 197 R CA 1.038 57.123 56.100 -0.024 0.000 0.955 197 R CB -0.318 29.949 30.300 -0.055 0.000 0.851 197 R HN 0.240 nan 8.270 nan 0.000 0.432 198 L N -0.220 120.909 121.223 -0.157 0.000 1.970 198 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 198 L C 2.485 179.261 176.870 -0.157 0.000 1.071 198 L CA 1.518 56.205 54.840 -0.255 0.000 0.751 198 L CB -0.874 40.912 42.059 -0.456 0.000 0.889 198 L HN 0.207 nan 8.230 nan 0.000 0.432 199 Y N 0.686 120.965 120.300 -0.036 0.000 2.081 199 Y HA -0.308 4.241 4.550 -0.001 0.000 0.280 199 Y C 2.950 178.824 175.900 -0.043 0.000 1.163 199 Y CA 1.829 59.923 58.100 -0.009 0.000 1.135 199 Y CB -1.357 37.138 38.460 0.058 0.000 0.970 199 Y HN 0.175 nan 8.280 nan 0.000 0.498 200 T N -0.334 114.302 114.554 0.137 0.000 2.699 200 T HA -0.276 4.073 4.350 -0.001 0.000 0.268 200 T C 1.960 176.645 174.700 -0.025 0.000 1.036 200 T CA 2.013 64.143 62.100 0.050 0.000 1.147 200 T CB -0.252 68.636 68.868 0.034 0.000 0.862 200 T HN 0.235 nan 8.240 nan 0.000 0.446 201 K N 0.674 121.005 120.400 -0.115 0.000 2.155 201 K HA 0.159 4.479 4.320 -0.001 0.000 0.203 201 K C 2.416 178.734 176.600 -0.469 0.000 1.052 201 K CA 0.860 56.977 56.287 -0.283 0.000 0.948 201 K CB -0.243 32.044 32.500 -0.355 0.000 0.728 201 K HN 0.262 nan 8.250 nan 0.000 0.448 202 A N 1.021 123.651 122.820 -0.316 0.000 1.969 202 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 202 A C 1.772 179.367 177.584 0.018 0.000 1.169 202 A CA 1.592 53.484 52.037 -0.243 0.000 0.635 202 A CB -0.377 18.582 19.000 -0.068 0.000 0.810 202 A HN 0.430 nan 8.150 nan 0.000 0.445 203 E N -0.564 119.685 120.200 0.082 0.000 2.107 203 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 203 E C 2.272 178.973 176.600 0.167 0.000 0.982 203 E CA 1.039 57.539 56.400 0.166 0.000 0.809 203 E CB -0.151 29.616 29.700 0.113 0.000 0.756 203 E HN 0.621 nan 8.360 nan 0.000 0.459 204 S N -0.077 115.683 115.700 0.101 0.000 2.359 204 S HA -0.214 4.256 4.470 -0.001 0.000 0.224 204 S C 1.892 176.660 174.600 0.280 0.000 1.035 204 S CA 1.147 59.437 58.200 0.150 0.000 1.018 204 S CB -0.307 62.958 63.200 0.108 0.000 0.876 204 S HN 0.271 nan 8.310 nan 0.000 0.448 205 Y N 0.133 120.449 120.300 0.026 0.000 2.207 205 Y HA 0.031 4.580 4.550 -0.001 0.000 0.287 205 Y C 2.020 177.960 175.900 0.066 0.000 1.156 205 Y CA 0.494 58.577 58.100 -0.028 0.000 1.182 205 Y CB -0.933 37.422 38.460 -0.176 0.000 0.979 205 Y HN 0.352 nan 8.280 nan 0.000 0.521 206 F N 0.228 120.332 119.950 0.257 0.000 2.765 206 F HA 0.090 4.617 4.527 -0.001 0.000 0.302 206 F C 0.743 176.651 175.800 0.181 0.000 1.111 206 F CA -0.116 58.023 58.000 0.232 0.000 1.359 206 F CB -0.336 38.818 39.000 0.257 0.000 1.097 206 F HN -0.032 nan 8.300 nan 0.000 0.577 207 Q N 0.607 120.598 119.800 0.319 0.000 2.435 207 Q HA -0.207 4.132 4.340 -0.001 0.000 0.312 207 Q C 0.095 176.180 176.000 0.142 0.000 1.333 207 Q CA 0.787 56.699 55.803 0.182 0.000 0.883 207 Q CB -2.552 26.266 28.738 0.133 0.000 1.170 207 Q HN 0.207 nan 8.270 nan 0.000 0.443 208 T N -0.108 114.545 114.554 0.165 0.000 2.916 208 T HA 0.486 4.836 4.350 -0.001 0.000 0.303 208 T C 0.746 175.480 174.700 0.057 0.000 1.025 208 T CA 0.496 62.657 62.100 0.101 0.000 1.142 208 T CB 1.395 70.334 68.868 0.119 0.000 0.947 208 T HN 0.491 nan 8.240 nan 0.000 0.544 209 G N 0.539 109.356 108.800 0.029 0.000 2.692 209 G HA2 0.528 4.487 3.960 -0.001 0.000 0.291 209 G HA3 0.528 4.487 3.960 -0.001 0.000 0.291 209 G C 0.114 175.026 174.900 0.019 0.000 1.423 209 G CA -0.530 44.579 45.100 0.016 0.000 0.843 209 G HN 0.635 nan 8.290 nan 0.000 0.486 210 T N -2.653 111.913 114.554 0.019 0.000 3.252 210 T HA 0.323 4.673 4.350 -0.001 0.000 0.286 210 T C -0.202 174.514 174.700 0.025 0.000 1.013 210 T CA -0.013 62.108 62.100 0.034 0.000 0.914 210 T CB 0.629 69.523 68.868 0.044 0.000 1.131 210 T HN 0.271 nan 8.240 nan 0.000 0.529 211 D N 0.675 121.073 120.400 -0.004 0.000 2.500 211 D HA 0.149 4.788 4.640 -0.001 0.000 0.217 211 D C 1.511 177.754 176.300 -0.095 0.000 1.159 211 D CA 0.243 54.221 54.000 -0.036 0.000 0.828 211 D CB 0.728 41.503 40.800 -0.042 0.000 1.039 211 D HN 0.334 nan 8.370 nan 0.000 0.512 212 Q N -0.764 118.976 119.800 -0.100 0.000 2.291 212 Q HA 0.026 4.365 4.340 -0.001 0.000 0.205 212 Q C 0.763 176.463 176.000 -0.500 0.000 0.970 212 Q CA 0.922 56.554 55.803 -0.286 0.000 0.876 212 Q CB -0.035 28.504 28.738 -0.331 0.000 0.935 212 Q HN 0.225 nan 8.270 nan 0.000 0.455 213 F N -0.639 119.154 119.950 -0.262 0.000 2.683 213 F HA 0.284 4.810 4.527 -0.001 0.000 0.306 213 F C 1.286 176.900 175.800 -0.309 0.000 1.102 213 F CA -0.350 57.463 58.000 -0.312 0.000 1.244 213 F CB 0.520 39.275 39.000 -0.408 0.000 1.029 213 F HN -0.134 nan 8.300 nan 0.000 0.545 214 K N 0.602 120.924 120.400 -0.130 0.000 2.360 214 K HA -0.084 4.235 4.320 -0.001 0.000 0.201 214 K C 0.697 177.195 176.600 -0.171 0.000 1.046 214 K CA 0.992 57.245 56.287 -0.057 0.000 0.945 214 K CB 0.010 32.468 32.500 -0.071 0.000 0.750 214 K HN 0.386 nan 8.250 nan 0.000 0.464 215 E N 0.623 120.621 120.200 -0.338 0.000 2.423 215 E HA 0.028 4.378 4.350 -0.001 0.000 0.198 215 E C -0.582 175.871 176.600 -0.246 0.000 1.038 215 E CA -0.141 55.862 56.400 -0.663 0.000 1.011 215 E CB 0.847 30.134 29.700 -0.688 0.000 1.118 215 E HN -0.060 nan 8.360 nan 0.000 0.451 216 S N 0.782 116.508 115.700 0.044 0.000 2.457 216 S HA 0.271 4.740 4.470 -0.001 0.000 0.289 216 S C 1.172 175.901 174.600 0.215 0.000 1.163 216 S CA -0.537 57.751 58.200 0.146 0.000 1.078 216 S CB 0.624 63.971 63.200 0.245 0.000 0.987 216 S HN 0.207 nan 8.310 nan 0.000 0.482 217 I N 4.886 125.454 120.570 -0.005 0.000 2.142 217 I HA -0.177 3.992 4.170 -0.001 0.000 0.240 217 I C 2.677 178.597 176.117 -0.328 0.000 1.078 217 I CA 1.161 62.167 61.300 -0.490 0.000 1.343 217 I CB -0.180 37.331 38.000 -0.815 0.000 1.046 217 I HN 0.700 nan 8.210 nan 0.000 0.405 218 R N -0.457 119.955 120.500 -0.147 0.000 2.080 218 R HA -0.256 4.083 4.340 -0.001 0.000 0.236 218 R C 2.381 178.715 176.300 0.057 0.000 1.137 218 R CA 2.026 58.101 56.100 -0.042 0.000 0.943 218 R CB -0.872 29.418 30.300 -0.017 0.000 0.846 218 R HN 0.401 nan 8.270 nan 0.000 0.431 219 H N 1.097 120.196 119.070 0.048 0.000 2.292 219 H HA -0.156 4.399 4.556 -0.001 0.000 0.292 219 H C 1.751 177.162 175.328 0.140 0.000 1.100 219 H CA 2.246 58.347 56.048 0.088 0.000 1.238 219 H CB -0.139 29.707 29.762 0.140 0.000 1.355 219 H HN 0.164 nan 8.280 nan 0.000 0.484 220 N N -0.218 118.624 118.700 0.237 0.000 2.354 220 N HA -0.099 4.640 4.740 -0.001 0.000 0.179 220 N C 1.974 177.664 175.510 0.300 0.000 1.021 220 N CA 0.815 54.054 53.050 0.314 0.000 0.887 220 N CB -0.120 38.756 38.487 0.649 0.000 0.974 220 N HN 0.306 nan 8.380 nan 0.000 0.437 221 L N 1.227 122.620 121.223 0.283 0.000 1.994 221 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 221 L C 2.106 179.041 176.870 0.109 0.000 1.071 221 L CA 1.465 56.466 54.840 0.269 0.000 0.745 221 L CB -0.690 41.467 42.059 0.163 0.000 0.892 221 L HN -0.142 nan 8.230 nan 0.000 0.431 222 V N -0.596 119.333 119.914 0.025 0.000 2.307 222 V HA -0.253 3.867 4.120 -0.001 0.000 0.245 222 V C 2.485 178.514 176.094 -0.108 0.000 1.045 222 V CA 1.677 63.958 62.300 -0.032 0.000 1.024 222 V CB -0.744 31.040 31.823 -0.065 0.000 0.651 222 V HN 0.529 nan 8.190 nan 0.000 0.449 223 L N 0.963 122.085 121.223 -0.169 0.000 1.989 223 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 223 L C 2.228 179.032 176.870 -0.110 0.000 1.071 223 L CA 2.196 56.924 54.840 -0.187 0.000 0.749 223 L CB -0.773 41.135 42.059 -0.251 0.000 0.890 223 L HN 0.311 nan 8.230 nan 0.000 0.431 224 N N -0.303 118.383 118.700 -0.025 0.000 2.244 224 N HA -0.181 4.559 4.740 -0.001 0.000 0.183 224 N C 1.791 177.282 175.510 -0.032 0.000 1.016 224 N CA 1.183 54.233 53.050 0.000 0.000 0.866 224 N CB -0.269 38.244 38.487 0.044 0.000 0.980 224 N HN 0.300 nan 8.380 nan 0.000 0.430 225 K N 1.270 121.650 120.400 -0.034 0.000 2.062 225 K HA 0.103 4.423 4.320 -0.001 0.000 0.205 225 K C 1.864 178.412 176.600 -0.086 0.000 1.051 225 K CA 0.780 57.045 56.287 -0.037 0.000 0.941 225 K CB -0.365 32.135 32.500 -0.001 0.000 0.719 225 K HN 0.097 nan 8.250 nan 0.000 0.440 226 L N 0.160 121.267 121.223 -0.194 0.000 2.027 226 L HA -0.163 4.176 4.340 -0.001 0.000 0.206 226 L C 2.241 178.921 176.870 -0.317 0.000 1.074 226 L CA 1.718 56.329 54.840 -0.383 0.000 0.745 226 L CB -0.897 40.554 42.059 -1.013 0.000 0.898 226 L HN 0.236 nan 8.230 nan 0.000 0.433 227 T N -0.690 113.713 114.554 -0.252 0.000 2.635 227 T HA -0.306 4.044 4.350 -0.001 0.000 0.267 227 T C 1.787 176.527 174.700 0.067 0.000 1.040 227 T CA 1.972 64.088 62.100 0.027 0.000 1.156 227 T CB -0.196 68.702 68.868 0.051 0.000 0.863 227 T HN 0.383 nan 8.240 nan 0.000 0.430 228 E N 0.453 120.656 120.200 0.006 0.000 2.051 228 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 228 E C 2.271 178.865 176.600 -0.010 0.000 0.991 228 E CA 0.962 57.362 56.400 0.001 0.000 0.799 228 E CB 0.029 29.714 29.700 -0.025 0.000 0.748 228 E HN 0.381 nan 8.360 nan 0.000 0.449 229 E N -0.605 119.568 120.200 -0.045 0.000 2.209 229 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 229 E C 0.634 177.089 176.600 -0.243 0.000 0.993 229 E CA 1.046 57.348 56.400 -0.163 0.000 0.819 229 E CB 0.066 29.631 29.700 -0.224 0.000 0.745 229 E HN 0.489 nan 8.360 nan 0.000 0.477 230 Y N -0.156 120.187 120.300 0.072 0.000 2.719 230 Y HA 0.205 4.755 4.550 -0.001 0.000 0.251 230 Y C 0.386 176.359 175.900 0.121 0.000 1.159 230 Y CA -0.515 57.667 58.100 0.137 0.000 1.166 230 Y CB 0.670 39.317 38.460 0.312 0.000 1.219 230 Y HN -0.271 nan 8.280 nan 0.000 0.551 231 K N 0.543 121.048 120.400 0.174 0.000 2.484 231 K HA 0.179 4.498 4.320 -0.001 0.000 0.280 231 K C 1.291 177.954 176.600 0.105 0.000 1.013 231 K CA 1.392 57.754 56.287 0.125 0.000 1.029 231 K CB 0.110 32.651 32.500 0.067 0.000 0.902 231 K HN 0.592 nan 8.250 nan 0.000 0.481 232 G N 2.689 111.548 108.800 0.099 0.000 2.189 232 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.267 232 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.267 232 G C 0.635 175.590 174.900 0.092 0.000 0.975 232 G CA 0.837 45.985 45.100 0.079 0.000 0.644 232 G HN 0.728 nan 8.290 nan 0.000 0.537 233 Q N -1.354 118.526 119.800 0.133 0.000 2.620 233 Q HA 0.223 4.562 4.340 -0.001 0.000 0.232 233 Q C 1.170 177.243 176.000 0.121 0.000 0.836 233 Q CA 0.242 56.131 55.803 0.144 0.000 0.938 233 Q CB 0.903 29.768 28.738 0.211 0.000 1.242 233 Q HN 0.536 nan 8.270 nan 0.000 0.624 234 R N 0.452 121.031 120.500 0.131 0.000 2.808 234 R HA 0.437 4.776 4.340 -0.001 0.000 0.272 234 R C -1.461 174.842 176.300 0.004 0.000 0.995 234 R CA -0.730 55.350 56.100 -0.035 0.000 0.917 234 R CB 1.540 31.581 30.300 -0.432 0.000 1.217 234 R HN -0.043 nan 8.270 nan 0.000 0.471 235 D N 1.296 121.624 120.400 -0.119 0.000 2.278 235 D HA 0.359 4.999 4.640 -0.001 0.000 0.245 235 D C -0.858 175.308 176.300 -0.223 0.000 1.052 235 D CA -0.047 53.939 54.000 -0.024 0.000 0.834 235 D CB 1.319 42.121 40.800 0.003 0.000 1.194 235 D HN 0.143 nan 8.370 nan 0.000 0.481 236 F N 1.235 121.197 119.950 0.021 0.000 2.470 236 F HA 0.399 4.925 4.527 -0.001 0.000 0.329 236 F C 0.856 176.680 175.800 0.040 0.000 1.072 236 F CA -0.532 57.477 58.000 0.014 0.000 0.989 236 F CB 1.578 40.583 39.000 0.008 0.000 1.193 236 F HN 0.219 nan 8.300 nan 0.000 0.481 237 Q N -0.014 119.915 119.800 0.215 0.000 2.737 237 Q HA 0.325 4.665 4.340 -0.001 0.000 0.307 237 Q C -1.600 174.526 176.000 0.211 0.000 0.905 237 Q CA -1.285 54.627 55.803 0.183 0.000 0.753 237 Q CB 1.664 30.474 28.738 0.120 0.000 1.463 237 Q HN 0.617 nan 8.270 nan 0.000 0.455 238 Q N 0.848 120.788 119.800 0.233 0.000 2.352 238 Q HA 0.277 4.616 4.340 -0.001 0.000 0.260 238 Q C -0.554 175.529 176.000 0.139 0.000 0.976 238 Q CA -0.317 55.639 55.803 0.255 0.000 0.881 238 Q CB 0.586 29.412 28.738 0.147 0.000 1.235 238 Q HN 0.580 nan 8.270 nan 0.000 0.419 239 I N 6.165 126.799 120.570 0.107 0.000 2.826 239 I HA -0.072 4.097 4.170 -0.001 0.000 0.295 239 I C -1.987 174.160 176.117 0.050 0.000 1.213 239 I CA -1.218 60.123 61.300 0.068 0.000 1.436 239 I CB 0.129 38.150 38.000 0.034 0.000 1.348 239 I HN 0.454 nan 8.210 nan 0.000 0.570 240 P HA 0.246 nan 4.420 nan 0.000 0.271 240 P C -0.937 176.366 177.300 0.004 0.000 1.233 240 P CA 0.123 63.236 63.100 0.021 0.000 0.764 240 P CB 0.458 32.160 31.700 0.002 0.000 0.825 241 L N 2.424 123.655 121.223 0.015 0.000 2.385 241 L HA 0.631 4.970 4.340 -0.001 0.000 0.273 241 L C 0.272 177.133 176.870 -0.016 0.000 0.990 241 L CA -1.181 53.663 54.840 0.006 0.000 0.821 241 L CB 2.134 44.263 42.059 0.117 0.000 1.279 241 L HN 0.245 nan 8.230 nan 0.000 0.412 242 A N 3.202 125.966 122.820 -0.094 0.000 2.539 242 A HA 0.756 5.076 4.320 -0.001 0.000 0.306 242 A C 0.046 177.639 177.584 0.014 0.000 1.392 242 A CA 0.135 52.151 52.037 -0.035 0.000 1.060 242 A CB -0.280 18.639 19.000 -0.135 0.000 1.134 242 A HN 0.819 nan 8.150 nan 0.000 0.542 243 A N 2.119 124.916 122.820 -0.039 0.000 2.590 243 A HA 0.716 5.035 4.320 -0.001 0.000 0.296 243 A C -0.527 176.922 177.584 -0.224 0.000 1.050 243 A CA -0.464 51.437 52.037 -0.226 0.000 0.697 243 A CB 0.726 19.411 19.000 -0.524 0.000 1.277 243 A HN 0.722 nan 8.150 nan 0.000 0.411 244 T N 1.460 115.847 114.554 -0.279 0.000 2.881 244 T HA 0.507 4.856 4.350 -0.001 0.000 0.291 244 T C -0.065 174.457 174.700 -0.296 0.000 0.990 244 T CA -0.456 61.512 62.100 -0.220 0.000 0.976 244 T CB 1.184 69.986 68.868 -0.110 0.000 0.970 244 T HN 0.810 nan 8.240 nan 0.000 0.438 245 R N 2.765 123.079 120.500 -0.310 0.000 2.401 245 R HA 0.251 4.591 4.340 -0.001 0.000 0.299 245 R C 0.679 176.874 176.300 -0.176 0.000 1.064 245 R CA -0.265 55.639 56.100 -0.326 0.000 1.000 245 R CB 0.417 30.497 30.300 -0.366 0.000 0.973 245 R HN 0.425 nan 8.270 nan 0.000 0.438 246 R N 1.790 122.242 120.500 -0.080 0.000 2.365 246 R HA 0.133 4.472 4.340 -0.001 0.000 0.223 246 R C -0.158 176.131 176.300 -0.018 0.000 0.899 246 R CA 0.460 56.553 56.100 -0.012 0.000 1.059 246 R CB 0.538 30.879 30.300 0.069 0.000 1.086 246 R HN 0.814 nan 8.270 nan 0.000 0.522 247 S N -1.435 114.249 115.700 -0.027 0.000 2.645 247 S HA 0.237 4.706 4.470 -0.001 0.000 0.268 247 S C -2.702 171.859 174.600 -0.065 0.000 1.110 247 S CA -0.974 57.206 58.200 -0.033 0.000 0.823 247 S CB 1.888 65.092 63.200 0.006 0.000 1.091 247 S HN -0.269 nan 8.310 nan 0.000 0.466 248 P HA 0.014 nan 4.420 nan 0.000 0.226 248 P C 0.971 178.240 177.300 -0.052 0.000 1.146 248 P CA 1.734 64.787 63.100 -0.079 0.000 0.773 248 P CB -0.459 31.216 31.700 -0.041 0.000 0.772 249 T N -6.591 107.963 114.554 0.001 0.000 3.111 249 T HA 0.299 4.649 4.350 -0.001 0.000 0.284 249 T C -0.196 174.569 174.700 0.109 0.000 0.983 249 T CA -0.286 61.841 62.100 0.045 0.000 0.900 249 T CB -0.314 68.598 68.868 0.075 0.000 1.132 249 T HN -0.101 nan 8.240 nan 0.000 0.531 250 F N 1.569 121.452 119.950 -0.112 0.000 2.573 250 F HA 0.634 5.160 4.527 -0.001 0.000 0.316 250 F C -1.670 173.993 175.800 -0.229 0.000 1.148 250 F CA -1.033 56.893 58.000 -0.122 0.000 0.940 250 F CB 1.925 40.871 39.000 -0.090 0.000 1.214 250 F HN -0.155 nan 8.300 nan 0.000 0.448 251 V N 5.243 124.652 119.914 -0.841 0.000 2.407 251 V HA 0.252 4.371 4.120 -0.001 0.000 0.291 251 V C -0.322 175.122 176.094 -1.084 0.000 1.018 251 V CA -0.831 60.922 62.300 -0.912 0.000 0.842 251 V CB 1.614 32.748 31.823 -1.148 0.000 0.996 251 V HN 0.719 nan 8.190 nan 0.000 0.426 252 E N 4.643 124.503 120.200 -0.567 0.000 2.029 252 E HA 0.107 4.456 4.350 -0.001 0.000 0.276 252 E C -1.052 175.319 176.600 -0.382 0.000 1.163 252 E CA -0.440 55.788 56.400 -0.288 0.000 0.909 252 E CB 0.394 30.092 29.700 -0.004 0.000 1.046 252 E HN 0.616 nan 8.360 nan 0.000 0.406 253 W N 2.771 123.938 121.300 -0.220 0.000 2.261 253 W HA 0.153 4.813 4.660 -0.001 0.000 0.323 253 W C 0.697 177.224 176.519 0.014 0.000 1.243 253 W CA -0.575 56.627 57.345 -0.238 0.000 1.210 253 W CB 0.962 30.048 29.460 -0.623 0.000 1.149 253 W HN 0.309 nan 8.180 nan 0.000 0.562 254 S N 1.377 117.271 115.700 0.324 0.000 2.655 254 S HA 0.662 5.131 4.470 -0.001 0.000 0.265 254 S C 0.086 175.096 174.600 0.684 0.000 1.240 254 S CA -0.479 57.976 58.200 0.425 0.000 0.986 254 S CB 1.173 64.626 63.200 0.421 0.000 0.985 254 S HN 0.527 nan 8.310 nan 0.000 0.562 255 S N -0.738 115.318 115.700 0.593 0.000 2.669 255 S HA 0.624 5.093 4.470 -0.001 0.000 0.266 255 S C 0.722 175.507 174.600 0.309 0.000 1.149 255 S CA -0.312 58.172 58.200 0.474 0.000 0.842 255 S CB 0.388 63.789 63.200 0.335 0.000 1.160 255 S HN 0.777 nan 8.310 nan 0.000 0.487 256 A N 1.671 124.570 122.820 0.132 0.000 1.927 256 A HA -0.221 4.099 4.320 -0.001 0.000 0.220 256 A C 2.013 179.647 177.584 0.082 0.000 1.185 256 A CA 2.344 54.420 52.037 0.066 0.000 0.639 256 A CB -1.524 17.486 19.000 0.017 0.000 0.820 256 A HN 0.864 nan 8.150 nan 0.000 0.451 257 N N -0.657 118.101 118.700 0.098 0.000 2.188 257 N HA -0.139 4.601 4.740 -0.001 0.000 0.184 257 N C 1.557 177.099 175.510 0.053 0.000 1.018 257 N CA 1.992 55.075 53.050 0.056 0.000 0.858 257 N CB -0.304 38.221 38.487 0.064 0.000 0.989 257 N HN 0.464 nan 8.380 nan 0.000 0.426 258 T N 0.819 115.451 114.554 0.130 0.000 2.720 258 T HA -0.078 4.271 4.350 -0.001 0.000 0.268 258 T C 2.116 176.856 174.700 0.066 0.000 1.037 258 T CA 1.324 63.503 62.100 0.133 0.000 1.144 258 T CB -0.373 68.650 68.868 0.257 0.000 0.864 258 T HN 0.040 nan 8.240 nan 0.000 0.444 259 V N -0.237 119.707 119.914 0.050 0.000 2.261 259 V HA 0.038 4.158 4.120 -0.001 0.000 0.246 259 V C 0.668 176.720 176.094 -0.070 0.000 1.047 259 V CA 1.196 63.445 62.300 -0.085 0.000 1.015 259 V CB -0.424 31.308 31.823 -0.151 0.000 0.642 259 V HN 0.510 nan 8.190 nan 0.000 0.446 260 F N 0.663 120.488 119.950 -0.208 0.000 2.604 260 F HA 0.398 4.924 4.527 -0.001 0.000 0.316 260 F C 0.255 175.937 175.800 -0.197 0.000 1.136 260 F CA -1.568 56.281 58.000 -0.251 0.000 0.989 260 F CB 1.432 40.236 39.000 -0.325 0.000 1.258 260 F HN 0.159 nan 8.300 nan 0.000 0.451 261 D N 4.871 124.869 120.400 -0.671 0.000 2.371 261 D HA -0.074 4.566 4.640 -0.001 0.000 0.221 261 D C 1.195 177.259 176.300 -0.394 0.000 0.986 261 D CA 1.090 54.833 54.000 -0.429 0.000 0.899 261 D CB -0.170 40.424 40.800 -0.343 0.000 0.902 261 D HN 0.695 nan 8.370 nan 0.000 0.530 262 L N -1.903 118.965 121.223 -0.591 0.000 4.555 262 L HA -0.266 4.073 4.340 -0.001 0.000 0.431 262 L C -0.041 176.784 176.870 -0.076 0.000 1.136 262 L CA 0.632 55.341 54.840 -0.217 0.000 0.972 262 L CB -1.619 40.456 42.059 0.027 0.000 1.999 262 L HN 0.223 nan 8.230 nan 0.000 0.900 263 Q N 0.943 120.611 119.800 -0.221 0.000 2.352 263 Q HA 0.191 4.531 4.340 -0.001 0.000 0.260 263 Q C 0.464 176.509 176.000 0.075 0.000 0.976 263 Q CA -0.066 55.691 55.803 -0.076 0.000 0.881 263 Q CB 0.493 29.156 28.738 -0.124 0.000 1.235 263 Q HN 0.165 nan 8.270 nan 0.000 0.419 264 N N 1.839 120.595 118.700 0.093 0.000 2.395 264 N HA 0.071 4.811 4.740 -0.001 0.000 0.246 264 N C -0.321 175.249 175.510 0.099 0.000 1.246 264 N CA 0.410 53.528 53.050 0.113 0.000 0.879 264 N CB 0.526 38.990 38.487 -0.037 0.000 1.098 264 N HN 0.270 nan 8.380 nan 0.000 0.444 265 R N 0.985 121.576 120.500 0.151 0.000 2.795 265 R HA 0.542 4.881 4.340 -0.001 0.000 0.275 265 R C -2.518 173.856 176.300 0.124 0.000 0.981 265 R CA -1.507 54.671 56.100 0.131 0.000 0.917 265 R CB 1.770 32.176 30.300 0.177 0.000 1.202 265 R HN 0.379 nan 8.270 nan 0.000 0.469 266 P HA 0.262 nan 4.420 nan 0.000 0.279 266 P C -1.380 175.968 177.300 0.081 0.000 1.252 266 P CA -0.548 62.638 63.100 0.143 0.000 0.811 266 P CB 0.752 32.593 31.700 0.235 0.000 1.035 267 N N -2.062 116.670 118.700 0.054 0.000 2.825 267 N HA 0.212 4.952 4.740 -0.001 0.000 0.253 267 N C 0.403 175.918 175.510 0.008 0.000 1.426 267 N CA -0.737 52.325 53.050 0.021 0.000 0.851 267 N CB -0.539 37.948 38.487 0.000 0.000 1.470 267 N HN 0.035 nan 8.380 nan 0.000 0.517 268 T N -0.681 113.871 114.554 -0.003 0.000 2.699 268 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 268 T C 0.373 175.063 174.700 -0.017 0.000 1.036 268 T CA 1.750 63.845 62.100 -0.009 0.000 1.147 268 T CB -0.435 68.425 68.868 -0.013 0.000 0.862 268 T HN 0.537 nan 8.240 nan 0.000 0.446 269 D N 0.802 121.186 120.400 -0.026 0.000 2.323 269 D HA 0.192 4.831 4.640 -0.001 0.000 0.209 269 D C 0.698 176.978 176.300 -0.033 0.000 0.973 269 D CA 0.385 54.364 54.000 -0.035 0.000 0.874 269 D CB 0.192 40.962 40.800 -0.050 0.000 0.930 269 D HN 0.372 nan 8.370 nan 0.000 0.521 270 A N 1.192 123.999 122.820 -0.021 0.000 2.984 270 A HA 0.381 4.701 4.320 -0.001 0.000 0.320 270 A C -2.093 175.498 177.584 0.012 0.000 1.142 270 A CA -0.961 51.070 52.037 -0.009 0.000 0.772 270 A CB 1.192 20.191 19.000 -0.002 0.000 1.195 270 A HN -0.198 nan 8.150 nan 0.000 0.459 271 P HA -0.069 nan 4.420 nan 0.000 0.226 271 P C 0.597 177.878 177.300 -0.032 0.000 1.153 271 P CA 1.273 64.375 63.100 0.002 0.000 0.777 271 P CB 0.353 32.034 31.700 -0.031 0.000 0.794 272 E N -1.027 119.108 120.200 -0.107 0.000 2.526 272 E HA 0.093 4.442 4.350 -0.001 0.000 0.208 272 E C 0.288 176.884 176.600 -0.006 0.000 0.997 272 E CA -0.129 56.085 56.400 -0.309 0.000 0.961 272 E CB 0.274 29.773 29.700 -0.334 0.000 1.030 272 E HN 0.405 nan 8.360 nan 0.000 0.483 273 E N 1.418 121.684 120.200 0.111 0.000 2.319 273 E HA 0.361 4.710 4.350 -0.001 0.000 0.268 273 E C -0.245 176.516 176.600 0.268 0.000 1.050 273 E CA -0.215 56.292 56.400 0.179 0.000 0.878 273 E CB 1.069 30.852 29.700 0.139 0.000 1.066 273 E HN -0.061 nan 8.360 nan 0.000 0.406 274 R N 1.938 122.595 120.500 0.262 0.000 2.473 274 R HA 0.398 4.738 4.340 -0.001 0.000 0.303 274 R C -1.465 175.008 176.300 0.288 0.000 1.002 274 R CA -0.507 55.735 56.100 0.237 0.000 0.884 274 R CB 0.956 31.361 30.300 0.175 0.000 1.173 274 R HN 0.380 nan 8.270 nan 0.000 0.464 275 F N 2.218 122.222 119.950 0.091 0.000 2.588 275 F HA 0.457 4.984 4.527 -0.001 0.000 0.314 275 F C -1.509 174.266 175.800 -0.042 0.000 1.134 275 F CA -0.763 57.272 58.000 0.058 0.000 0.961 275 F CB 1.992 41.095 39.000 0.171 0.000 1.239 275 F HN 0.376 nan 8.300 nan 0.000 0.448 276 N N 4.906 123.007 118.700 -0.998 0.000 2.346 276 N HA 0.532 5.272 4.740 -0.001 0.000 0.289 276 N C -1.902 172.660 175.510 -1.581 0.000 1.027 276 N CA -0.600 51.814 53.050 -1.060 0.000 0.864 276 N CB 2.264 40.264 38.487 -0.812 0.000 1.370 276 N HN 0.566 nan 8.380 nan 0.000 0.481 277 L N 2.763 123.282 121.223 -1.173 0.000 2.275 277 L HA 0.617 4.957 4.340 -0.001 0.000 0.288 277 L C -1.598 174.770 176.870 -0.836 0.000 1.046 277 L CA -0.209 54.182 54.840 -0.748 0.000 0.805 277 L CB -0.039 41.920 42.059 -0.166 0.000 1.193 277 L HN 0.434 nan 8.230 nan 0.000 0.426 278 F N 6.581 126.287 119.950 -0.407 0.000 2.366 278 F HA 0.570 5.097 4.527 -0.001 0.000 0.366 278 F C -2.123 173.616 175.800 -0.101 0.000 1.096 278 F CA -1.918 55.929 58.000 -0.256 0.000 1.060 278 F CB 0.955 39.753 39.000 -0.337 0.000 1.282 278 F HN 0.437 nan 8.300 nan 0.000 0.450 279 P HA 0.395 nan 4.420 nan 0.000 0.278 279 P C -0.279 177.070 177.300 0.081 0.000 1.266 279 P CA -0.305 62.833 63.100 0.062 0.000 0.807 279 P CB 1.162 32.879 31.700 0.028 0.000 1.094 280 A N -1.114 121.735 122.820 0.049 0.000 2.846 280 A HA -0.081 4.238 4.320 -0.001 0.000 0.287 280 A C -0.140 177.461 177.584 0.028 0.000 1.469 280 A CA 0.686 52.742 52.037 0.032 0.000 0.757 280 A CB -2.406 16.617 19.000 0.038 0.000 1.033 280 A HN 0.240 nan 8.150 nan 0.000 0.516 281 V N -0.493 119.448 119.914 0.044 0.000 2.524 281 V HA 0.676 4.796 4.120 -0.001 0.000 0.297 281 V C 0.476 176.563 176.094 -0.012 0.000 1.035 281 V CA -0.340 61.984 62.300 0.042 0.000 0.867 281 V CB 1.633 33.560 31.823 0.172 0.000 1.004 281 V HN 1.557 nan 8.190 nan 0.000 0.426 282 A N 3.988 126.777 122.820 -0.051 0.000 2.302 282 A HA 0.494 4.813 4.320 -0.001 0.000 0.295 282 A C 0.137 177.697 177.584 -0.040 0.000 1.235 282 A CA -0.165 51.826 52.037 -0.077 0.000 0.876 282 A CB -0.001 18.974 19.000 -0.042 0.000 1.133 282 A HN 0.866 nan 8.150 nan 0.000 0.533 283 C N 2.545 121.797 119.300 -0.081 0.000 2.514 283 C HA 0.304 4.764 4.460 -0.001 0.000 0.392 283 C C 1.416 176.374 174.990 -0.054 0.000 1.294 283 C CA -0.119 58.843 59.018 -0.092 0.000 1.957 283 C CB -0.318 27.359 27.740 -0.104 0.000 2.541 283 C HN 1.012 nan 8.230 nan 0.000 0.569 284 E N 0.823 121.007 120.200 -0.026 0.000 2.399 284 E HA 0.117 4.466 4.350 -0.001 0.000 0.205 284 E C 0.020 176.600 176.600 -0.033 0.000 0.906 284 E CA 0.280 56.672 56.400 -0.013 0.000 0.998 284 E CB 0.500 30.212 29.700 0.020 0.000 1.002 284 E HN 0.750 nan 8.360 nan 0.000 0.501 285 R N -0.094 120.384 120.500 -0.036 0.000 2.833 285 R HA 0.274 4.614 4.340 -0.001 0.000 0.259 285 R C -0.913 175.337 176.300 -0.084 0.000 1.047 285 R CA -0.735 55.323 56.100 -0.070 0.000 0.916 285 R CB 0.545 30.787 30.300 -0.096 0.000 1.259 285 R HN -0.078 nan 8.270 nan 0.000 0.482 286 V N -0.551 119.305 119.914 -0.098 0.000 2.439 286 V HA 0.587 4.706 4.120 -0.001 0.000 0.282 286 V C 0.221 176.239 176.094 -0.128 0.000 1.039 286 V CA -0.830 61.385 62.300 -0.142 0.000 0.913 286 V CB 1.645 33.352 31.823 -0.193 0.000 0.983 286 V HN 0.506 nan 8.190 nan 0.000 0.460 287 V N 5.964 125.779 119.914 -0.166 0.000 2.408 287 V HA 0.378 4.497 4.120 -0.001 0.000 0.267 287 V C 0.817 176.869 176.094 -0.069 0.000 1.047 287 V CA -0.350 61.866 62.300 -0.140 0.000 0.937 287 V CB 0.477 32.209 31.823 -0.152 0.000 0.999 287 V HN 0.930 nan 8.190 nan 0.000 0.472 288 R N 4.124 124.610 120.500 -0.023 0.000 2.491 288 R HA 0.195 4.534 4.340 -0.001 0.000 0.283 288 R C 0.516 176.849 176.300 0.054 0.000 1.072 288 R CA -0.452 55.700 56.100 0.086 0.000 1.048 288 R CB 0.415 30.760 30.300 0.075 0.000 0.983 288 R HN 0.881 nan 8.270 nan 0.000 0.450 289 N N 1.910 120.661 118.700 0.084 0.000 2.340 289 N HA -0.049 4.690 4.740 -0.001 0.000 0.236 289 N C 0.512 176.023 175.510 0.002 0.000 1.296 289 N CA 0.302 53.370 53.050 0.030 0.000 0.896 289 N CB 0.545 39.047 38.487 0.026 0.000 1.127 289 N HN 0.580 nan 8.380 nan 0.000 0.442 290 A N 0.681 123.494 122.820 -0.012 0.000 2.015 290 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 290 A C 2.040 179.601 177.584 -0.038 0.000 1.163 290 A CA 0.792 52.815 52.037 -0.023 0.000 0.646 290 A CB -0.618 18.371 19.000 -0.019 0.000 0.806 290 A HN 0.668 nan 8.150 nan 0.000 0.448 291 L N -1.247 119.946 121.223 -0.051 0.000 2.558 291 L HA 0.062 4.402 4.340 -0.001 0.000 0.225 291 L C -0.066 176.717 176.870 -0.144 0.000 1.128 291 L CA -0.081 54.713 54.840 -0.078 0.000 0.868 291 L CB -0.458 41.558 42.059 -0.072 0.000 1.006 291 L HN 0.362 nan 8.230 nan 0.000 0.454 292 N N 0.598 119.196 118.700 -0.170 0.000 2.756 292 N HA -0.154 4.585 4.740 -0.001 0.000 0.248 292 N C 0.804 175.750 175.510 -0.941 0.000 1.062 292 N CA 1.029 53.863 53.050 -0.360 0.000 0.696 292 N CB -1.233 37.172 38.487 -0.137 0.000 0.946 292 N HN 0.551 nan 8.380 nan 0.000 0.548 293 S N -2.145 113.134 115.700 -0.702 0.000 2.687 293 S HA 0.285 4.754 4.470 -0.001 0.000 0.247 293 S C 0.255 174.655 174.600 -0.333 0.000 1.050 293 S CA -0.236 57.603 58.200 -0.601 0.000 1.063 293 S CB 1.688 64.740 63.200 -0.247 0.000 1.039 293 S HN 0.360 nan 8.310 nan 0.000 0.580 294 E N 0.346 120.478 120.200 -0.115 0.000 2.390 294 E HA 0.389 4.738 4.350 -0.001 0.000 0.280 294 E C -1.731 175.064 176.600 0.325 0.000 0.992 294 E CA -0.792 55.738 56.400 0.216 0.000 0.790 294 E CB 1.447 31.224 29.700 0.128 0.000 1.248 294 E HN 0.094 nan 8.360 nan 0.000 0.447 295 I N 3.185 123.898 120.570 0.238 0.000 2.342 295 I HA 0.137 4.306 4.170 -0.001 0.000 0.291 295 I C 1.021 177.071 176.117 -0.111 0.000 1.010 295 I CA 0.507 61.767 61.300 -0.065 0.000 1.308 295 I CB 1.122 38.860 38.000 -0.438 0.000 1.400 295 I HN 0.741 nan 8.210 nan 0.000 0.488 296 E N 3.219 123.363 120.200 -0.094 0.000 2.251 296 E HA 0.044 4.394 4.350 -0.001 0.000 0.194 296 E C 0.097 176.742 176.600 0.075 0.000 0.964 296 E CA 0.338 56.756 56.400 0.031 0.000 0.868 296 E CB 0.623 30.345 29.700 0.037 0.000 0.828 296 E HN 0.779 nan 8.360 nan 0.000 0.481 297 S N -0.357 115.320 115.700 -0.038 0.000 2.615 297 S HA 0.422 4.891 4.470 -0.001 0.000 0.268 297 S C -1.701 172.927 174.600 0.047 0.000 1.146 297 S CA -1.094 57.184 58.200 0.129 0.000 0.818 297 S CB 1.390 64.707 63.200 0.196 0.000 1.111 297 S HN 0.047 nan 8.310 nan 0.000 0.465 298 L N 1.619 122.973 121.223 0.217 0.000 2.333 298 L HA 0.741 5.080 4.340 -0.001 0.000 0.280 298 L C -1.464 175.504 176.870 0.162 0.000 1.004 298 L CA -0.105 54.818 54.840 0.138 0.000 0.820 298 L CB 1.172 43.314 42.059 0.139 0.000 1.247 298 L HN 0.909 nan 8.230 nan 0.000 0.416 299 H N 5.435 124.464 119.070 -0.068 0.000 2.552 299 H HA 0.579 5.134 4.556 -0.001 0.000 0.311 299 H C -0.290 174.987 175.328 -0.086 0.000 1.071 299 H CA -0.185 55.828 56.048 -0.058 0.000 1.307 299 H CB 0.936 30.669 29.762 -0.048 0.000 1.416 299 H HN 0.675 nan 8.280 nan 0.000 0.464 300 I N -0.407 120.139 120.570 -0.039 0.000 2.797 300 I HA 0.472 4.641 4.170 -0.001 0.000 0.307 300 I C -0.542 175.630 176.117 0.092 0.000 1.033 300 I CA -0.881 60.380 61.300 -0.065 0.000 1.071 300 I CB 2.609 40.444 38.000 -0.275 0.000 1.255 300 I HN 0.516 nan 8.210 nan 0.000 0.445 301 H N 2.496 121.555 119.070 -0.019 0.000 2.646 301 H HA 0.310 4.866 4.556 -0.001 0.000 0.328 301 H C -1.554 173.810 175.328 0.061 0.000 0.998 301 H CA -0.624 55.441 56.048 0.028 0.000 1.225 301 H CB 1.655 31.432 29.762 0.024 0.000 1.457 301 H HN 0.858 nan 8.280 nan 0.000 0.505 302 D N 4.432 124.870 120.400 0.064 0.000 2.312 302 D HA 0.070 4.709 4.640 -0.001 0.000 0.252 302 D C 0.756 176.922 176.300 -0.224 0.000 1.150 302 D CA -0.309 53.686 54.000 -0.008 0.000 0.870 302 D CB 1.171 42.062 40.800 0.152 0.000 1.153 302 D HN 0.561 nan 8.370 nan 0.000 0.457 303 L N 3.791 124.897 121.223 -0.196 0.000 2.375 303 L HA 0.000 4.340 4.340 -0.001 0.000 0.215 303 L C 1.490 178.311 176.870 -0.082 0.000 1.108 303 L CA -0.065 54.640 54.840 -0.224 0.000 0.830 303 L CB -0.093 41.911 42.059 -0.092 0.000 0.959 303 L HN 0.615 nan 8.230 nan 0.000 0.457 304 I N -0.281 120.274 120.570 -0.024 0.000 2.235 304 I HA -0.174 3.996 4.170 -0.001 0.000 0.241 304 I C 2.763 178.896 176.117 0.027 0.000 1.085 304 I CA 1.705 63.013 61.300 0.013 0.000 1.378 304 I CB -1.221 36.797 38.000 0.030 0.000 1.076 304 I HN 0.239 nan 8.210 nan 0.000 0.415 305 S N 0.335 116.062 115.700 0.046 0.000 2.470 305 S HA 0.111 4.581 4.470 -0.001 0.000 0.225 305 S C 1.809 176.453 174.600 0.073 0.000 1.006 305 S CA 0.692 58.934 58.200 0.070 0.000 0.934 305 S CB -0.231 63.039 63.200 0.116 0.000 0.778 305 S HN 0.612 nan 8.310 nan 0.000 0.517 306 G N 0.866 109.705 108.800 0.065 0.000 2.143 306 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.248 306 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.248 306 G C -0.521 174.497 174.900 0.197 0.000 0.991 306 G CA 0.282 45.474 45.100 0.153 0.000 0.689 306 G HN 0.585 nan 8.290 nan 0.000 0.522 307 D N -0.405 120.079 120.400 0.140 0.000 2.217 307 D HA 0.660 5.300 4.640 -0.001 0.000 0.248 307 D C 0.759 177.023 176.300 -0.060 0.000 1.008 307 D CA -0.360 53.621 54.000 -0.032 0.000 0.914 307 D CB 0.799 41.509 40.800 -0.150 0.000 1.182 307 D HN 0.301 nan 8.370 nan 0.000 0.451 308 R N 0.933 121.221 120.500 -0.353 0.000 2.589 308 R HA 0.685 5.025 4.340 -0.001 0.000 0.293 308 R C -0.810 175.108 176.300 -0.638 0.000 0.963 308 R CA -0.648 55.283 56.100 -0.282 0.000 0.905 308 R CB 1.320 31.500 30.300 -0.200 0.000 1.144 308 R HN 0.315 nan 8.270 nan 0.000 0.459 309 F N -0.155 119.699 119.950 -0.161 0.000 2.662 309 F HA 0.309 4.835 4.527 -0.001 0.000 0.312 309 F C -0.379 175.208 175.800 -0.356 0.000 1.113 309 F CA -1.030 56.841 58.000 -0.215 0.000 0.951 309 F CB 2.061 40.969 39.000 -0.153 0.000 1.344 309 F HN 0.315 nan 8.300 nan 0.000 0.462 310 E N 2.187 122.318 120.200 -0.115 0.000 2.145 310 E HA 0.498 4.848 4.350 -0.001 0.000 0.270 310 E C -1.128 175.473 176.600 0.002 0.000 0.906 310 E CA -0.629 55.663 56.400 -0.179 0.000 0.761 310 E CB 1.685 31.282 29.700 -0.171 0.000 1.116 310 E HN 0.202 nan 8.360 nan 0.000 0.408 311 I N 2.789 123.374 120.570 0.024 0.000 2.392 311 I HA 0.275 4.445 4.170 -0.001 0.000 0.295 311 I C 0.194 176.425 176.117 0.190 0.000 0.985 311 I CA -0.695 60.655 61.300 0.083 0.000 1.221 311 I CB 1.051 39.058 38.000 0.011 0.000 1.366 311 I HN 0.400 nan 8.210 nan 0.000 0.467 312 K N 4.075 124.589 120.400 0.190 0.000 2.164 312 K HA 0.868 5.187 4.320 -0.001 0.000 0.258 312 K C -0.737 175.954 176.600 0.152 0.000 0.951 312 K CA -0.557 55.858 56.287 0.213 0.000 0.844 312 K CB 2.553 35.144 32.500 0.152 0.000 1.099 312 K HN 0.802 nan 8.250 nan 0.000 0.435 313 A N 1.458 124.307 122.820 0.048 0.000 2.609 313 A HA 0.310 4.629 4.320 -0.001 0.000 0.291 313 A C -0.542 176.972 177.584 -0.117 0.000 1.096 313 A CA -0.685 51.268 52.037 -0.139 0.000 0.684 313 A CB 1.055 19.770 19.000 -0.475 0.000 1.282 313 A HN 0.700 nan 8.150 nan 0.000 0.412 314 D N -0.495 119.854 120.400 -0.084 0.000 2.162 314 D HA 0.101 4.740 4.640 -0.001 0.000 0.203 314 D C 0.345 176.559 176.300 -0.144 0.000 0.967 314 D CA 1.637 55.633 54.000 -0.007 0.000 0.840 314 D CB 0.217 41.055 40.800 0.063 0.000 0.972 314 D HN 0.223 nan 8.370 nan 0.000 0.482 315 V N 1.101 120.787 119.914 -0.382 0.000 2.487 315 V HA 0.243 4.362 4.120 -0.001 0.000 0.298 315 V C -1.137 174.694 176.094 -0.438 0.000 1.028 315 V CA -0.835 61.224 62.300 -0.403 0.000 0.860 315 V CB 1.500 32.957 31.823 -0.610 0.000 0.991 315 V HN -0.050 nan 8.190 nan 0.000 0.427 316 Y N 3.219 123.522 120.300 0.005 0.000 2.334 316 Y HA 0.619 5.169 4.550 -0.001 0.000 0.336 316 Y C 0.024 175.910 175.900 -0.023 0.000 0.960 316 Y CA -0.824 57.268 58.100 -0.013 0.000 1.164 316 Y CB 1.886 40.342 38.460 -0.007 0.000 1.155 316 Y HN 0.366 nan 8.280 nan 0.000 0.478 317 V N 5.767 125.638 119.914 -0.072 0.000 2.384 317 V HA 0.378 4.498 4.120 -0.001 0.000 0.287 317 V C -0.324 175.628 176.094 -0.237 0.000 1.020 317 V CA -0.898 61.254 62.300 -0.247 0.000 0.850 317 V CB 1.480 32.936 31.823 -0.611 0.000 0.987 317 V HN 0.584 nan 8.190 nan 0.000 0.436 318 L N 5.329 126.412 121.223 -0.234 0.000 2.276 318 L HA 0.528 4.868 4.340 -0.001 0.000 0.286 318 L C 0.339 177.093 176.870 -0.193 0.000 1.024 318 L CA -0.212 54.513 54.840 -0.192 0.000 0.826 318 L CB 1.527 43.459 42.059 -0.211 0.000 1.211 318 L HN 0.792 nan 8.230 nan 0.000 0.422 319 T N -1.627 112.842 114.554 -0.142 0.000 3.516 319 T HA 0.383 4.733 4.350 -0.001 0.000 0.245 319 T C 0.642 175.332 174.700 -0.017 0.000 1.077 319 T CA -0.166 61.886 62.100 -0.079 0.000 1.222 319 T CB 0.998 69.809 68.868 -0.095 0.000 1.045 319 T HN 0.533 nan 8.240 nan 0.000 0.585 320 A N 0.743 123.565 122.820 0.004 0.000 2.379 320 A HA 0.796 5.115 4.320 -0.001 0.000 0.236 320 A C 1.294 178.947 177.584 0.115 0.000 1.272 320 A CA 0.005 52.067 52.037 0.041 0.000 0.886 320 A CB -0.630 18.391 19.000 0.035 0.000 0.962 320 A HN 1.648 nan 8.150 nan 0.000 0.504 321 G N -2.543 106.329 108.800 0.120 0.000 2.619 321 G HA2 0.298 4.257 3.960 -0.001 0.000 0.686 321 G HA3 0.298 4.257 3.960 -0.001 0.000 0.686 321 G C 0.660 175.676 174.900 0.194 0.000 1.256 321 G CA -0.356 44.839 45.100 0.158 0.000 0.826 321 G HN 1.249 nan 8.290 nan 0.000 0.619 322 A N -0.347 122.579 122.820 0.177 0.000 2.015 322 A HA 0.300 4.620 4.320 -0.001 0.000 0.219 322 A C 2.535 180.225 177.584 0.176 0.000 1.163 322 A CA 2.900 55.038 52.037 0.168 0.000 0.646 322 A CB -0.191 18.878 19.000 0.115 0.000 0.806 322 A HN 1.525 nan 8.150 nan 0.000 0.448 323 V N -1.134 118.858 119.914 0.130 0.000 2.331 323 V HA -0.156 3.963 4.120 -0.001 0.000 0.242 323 V C 2.165 178.249 176.094 -0.016 0.000 1.034 323 V CA 2.040 64.370 62.300 0.049 0.000 1.027 323 V CB -0.918 30.849 31.823 -0.094 0.000 0.667 323 V HN 0.712 nan 8.190 nan 0.000 0.457 324 H N -0.213 118.921 119.070 0.108 0.000 2.502 324 H HA 0.009 4.565 4.556 -0.001 0.000 0.283 324 H C 2.208 177.511 175.328 -0.042 0.000 1.015 324 H CA 0.924 56.984 56.048 0.020 0.000 1.298 324 H CB 0.079 29.846 29.762 0.008 0.000 1.411 324 H HN 0.313 nan 8.280 nan 0.000 0.556 325 N N -0.250 118.502 118.700 0.087 0.000 2.106 325 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 325 N C 1.755 177.226 175.510 -0.064 0.000 1.029 325 N CA 1.778 54.813 53.050 -0.025 0.000 0.848 325 N CB -0.480 37.980 38.487 -0.046 0.000 1.007 325 N HN 0.315 nan 8.380 nan 0.000 0.423 326 T N 0.874 115.459 114.554 0.052 0.000 2.684 326 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 326 T C 1.832 176.321 174.700 -0.352 0.000 1.036 326 T CA 1.248 63.362 62.100 0.024 0.000 1.148 326 T CB -0.309 68.729 68.868 0.283 0.000 0.863 326 T HN 0.349 nan 8.240 nan 0.000 0.436 327 Q N 0.408 119.858 119.800 -0.584 0.000 2.061 327 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 327 Q C 2.344 178.069 176.000 -0.460 0.000 0.984 327 Q CA 1.319 56.528 55.803 -0.991 0.000 0.846 327 Q CB -0.298 28.125 28.738 -0.526 0.000 0.902 327 Q HN 0.528 nan 8.270 nan 0.000 0.421 328 L N 0.165 121.243 121.223 -0.241 0.000 2.027 328 L HA -0.181 4.158 4.340 -0.001 0.000 0.206 328 L C 2.266 179.045 176.870 -0.152 0.000 1.074 328 L CA 0.918 55.664 54.840 -0.157 0.000 0.745 328 L CB -0.153 41.836 42.059 -0.118 0.000 0.898 328 L HN 0.309 nan 8.230 nan 0.000 0.433 329 L N -1.202 119.913 121.223 -0.180 0.000 1.989 329 L HA -0.254 4.085 4.340 -0.001 0.000 0.211 329 L C 2.461 179.348 176.870 0.029 0.000 1.071 329 L CA 1.296 56.054 54.840 -0.137 0.000 0.749 329 L CB -0.699 41.199 42.059 -0.268 0.000 0.890 329 L HN 0.085 nan 8.230 nan 0.000 0.431 330 V N -0.011 119.869 119.914 -0.056 0.000 2.392 330 V HA -0.295 3.825 4.120 -0.001 0.000 0.249 330 V C 2.093 178.178 176.094 -0.014 0.000 1.059 330 V CA 2.049 64.348 62.300 -0.001 0.000 1.051 330 V CB -0.775 31.032 31.823 -0.026 0.000 0.658 330 V HN 0.507 nan 8.190 nan 0.000 0.455 331 N N -0.170 118.481 118.700 -0.082 0.000 2.550 331 N HA -0.079 4.660 4.740 -0.001 0.000 0.186 331 N C 1.538 177.029 175.510 -0.032 0.000 1.110 331 N CA 1.022 54.039 53.050 -0.056 0.000 0.912 331 N CB -0.011 38.428 38.487 -0.080 0.000 0.968 331 N HN 0.415 nan 8.380 nan 0.000 0.448 332 S N -1.603 114.104 115.700 0.012 0.000 2.540 332 S HA 0.316 4.786 4.470 -0.001 0.000 0.218 332 S C 1.071 175.656 174.600 -0.025 0.000 0.977 332 S CA 0.241 58.456 58.200 0.024 0.000 0.918 332 S CB 0.655 63.927 63.200 0.120 0.000 0.806 332 S HN 0.506 nan 8.310 nan 0.000 0.496 333 G N 1.233 110.020 108.800 -0.022 0.000 2.141 333 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.231 333 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.231 333 G C -0.097 174.672 174.900 -0.218 0.000 0.984 333 G CA -0.600 44.430 45.100 -0.116 0.000 0.660 333 G HN 0.399 nan 8.290 nan 0.000 0.525 334 F N 0.966 120.885 119.950 -0.052 0.000 2.418 334 F HA 0.512 5.039 4.527 -0.001 0.000 0.341 334 F C 1.574 177.381 175.800 0.013 0.000 1.120 334 F CA 1.268 59.249 58.000 -0.032 0.000 1.232 334 F CB 1.002 39.952 39.000 -0.083 0.000 1.175 334 F HN 0.853 nan 8.300 nan 0.000 0.569 335 G N 2.172 111.092 108.800 0.200 0.000 2.539 335 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.256 335 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.256 335 G C -0.862 174.108 174.900 0.118 0.000 1.233 335 G CA -0.301 44.900 45.100 0.168 0.000 0.936 335 G HN 0.794 nan 8.290 nan 0.000 0.571 336 Q N -0.814 119.063 119.800 0.129 0.000 2.304 336 Q HA 0.618 4.957 4.340 -0.001 0.000 0.270 336 Q C -0.835 175.249 176.000 0.140 0.000 1.035 336 Q CA -0.977 54.884 55.803 0.097 0.000 0.781 336 Q CB 1.790 30.564 28.738 0.059 0.000 1.261 336 Q HN 0.795 nan 8.270 nan 0.000 0.444 337 L N 3.356 124.650 121.223 0.118 0.000 2.371 337 L HA 0.718 5.058 4.340 -0.001 0.000 0.272 337 L C 0.219 177.171 176.870 0.137 0.000 1.124 337 L CA 1.682 56.618 54.840 0.160 0.000 0.816 337 L CB 1.029 43.156 42.059 0.113 0.000 1.129 337 L HN 0.813 nan 8.230 nan 0.000 0.448 338 G N 3.491 112.424 108.800 0.222 0.000 2.661 338 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.685 338 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.685 338 G C -0.676 174.139 174.900 -0.141 0.000 1.298 338 G CA -0.324 44.854 45.100 0.130 0.000 0.855 338 G HN 0.922 nan 8.290 nan 0.000 0.560 339 R N 0.759 120.948 120.500 -0.518 0.000 2.570 339 R HA 0.339 4.678 4.340 -0.001 0.000 0.277 339 R C -1.912 173.937 176.300 -0.752 0.000 1.039 339 R CA -0.630 54.665 56.100 -1.341 0.000 1.065 339 R CB 0.023 29.785 30.300 -0.896 0.000 0.964 339 R HN 0.318 nan 8.270 nan 0.000 0.428 340 P HA 0.003 nan 4.420 nan 0.000 0.266 340 P C -1.325 175.817 177.300 -0.264 0.000 1.195 340 P CA 0.285 63.140 63.100 -0.409 0.000 0.768 340 P CB 0.433 31.919 31.700 -0.358 0.000 0.838 341 N N 2.732 121.335 118.700 -0.160 0.000 2.549 341 N HA 0.282 5.021 4.740 -0.001 0.000 0.281 341 N C -2.330 173.136 175.510 -0.072 0.000 1.084 341 N CA -1.807 51.175 53.050 -0.113 0.000 0.862 341 N CB 1.206 39.635 38.487 -0.097 0.000 1.333 341 N HN 0.093 nan 8.380 nan 0.000 0.523 342 P HA 0.173 nan 4.420 nan 0.000 0.253 342 P C 0.155 177.438 177.300 -0.029 0.000 1.508 342 P CA 0.088 63.165 63.100 -0.038 0.000 0.883 342 P CB 0.376 32.054 31.700 -0.035 0.000 1.519 343 A N -0.734 122.066 122.820 -0.032 0.000 2.095 343 A HA 0.094 4.413 4.320 -0.001 0.000 0.212 343 A C 0.999 178.571 177.584 -0.020 0.000 1.162 343 A CA 0.452 52.474 52.037 -0.024 0.000 0.753 343 A CB -0.137 18.847 19.000 -0.027 0.000 0.840 343 A HN 0.130 nan 8.150 nan 0.000 0.468 344 N N 1.587 120.274 118.700 -0.022 0.000 2.626 344 N HA 0.285 5.024 4.740 -0.001 0.000 0.249 344 N C -3.180 172.323 175.510 -0.011 0.000 1.021 344 N CA -1.093 51.948 53.050 -0.016 0.000 0.886 344 N CB 1.875 40.351 38.487 -0.018 0.000 1.149 344 N HN 0.165 nan 8.380 nan 0.000 0.517 345 P HA 0.289 nan 4.420 nan 0.000 0.279 345 P C -2.582 174.727 177.300 0.015 0.000 1.239 345 P CA -1.075 62.030 63.100 0.008 0.000 0.789 345 P CB 0.049 31.756 31.700 0.012 0.000 0.933 346 P HA 0.087 nan 4.420 nan 0.000 0.268 346 P C 0.702 178.020 177.300 0.029 0.000 1.208 346 P CA 0.219 63.339 63.100 0.034 0.000 0.777 346 P CB 0.558 32.296 31.700 0.063 0.000 0.875 347 E N 0.490 120.698 120.200 0.013 0.000 2.107 347 E HA -0.009 4.341 4.350 -0.001 0.000 0.191 347 E C 0.190 176.805 176.600 0.025 0.000 0.982 347 E CA 0.901 57.305 56.400 0.006 0.000 0.809 347 E CB -0.130 29.558 29.700 -0.019 0.000 0.756 347 E HN 0.361 nan 8.360 nan 0.000 0.459 348 L N 0.063 121.307 121.223 0.035 0.000 2.370 348 L HA 0.371 4.710 4.340 -0.001 0.000 0.266 348 L C -0.388 176.583 176.870 0.170 0.000 1.002 348 L CA -0.969 53.930 54.840 0.099 0.000 0.818 348 L CB 1.652 43.733 42.059 0.037 0.000 1.325 348 L HN -0.016 nan 8.230 nan 0.000 0.418 349 L N 2.242 123.596 121.223 0.218 0.000 3.823 349 L HA -0.187 4.152 4.340 -0.001 0.000 0.525 349 L C -1.448 175.531 176.870 0.181 0.000 1.247 349 L CA -0.509 54.468 54.840 0.228 0.000 0.776 349 L CB -0.900 41.333 42.059 0.290 0.000 1.443 349 L HN 0.597 nan 8.230 nan 0.000 0.831 350 P HA -0.130 nan 4.420 nan 0.000 0.221 350 P C 1.319 178.715 177.300 0.159 0.000 1.145 350 P CA 1.172 64.347 63.100 0.126 0.000 0.795 350 P CB 0.268 32.023 31.700 0.093 0.000 0.775 351 S N -0.557 115.255 115.700 0.186 0.000 2.562 351 S HA 0.021 4.490 4.470 -0.001 0.000 0.221 351 S C 0.894 175.649 174.600 0.258 0.000 0.975 351 S CA -0.319 58.036 58.200 0.258 0.000 0.918 351 S CB -0.771 62.570 63.200 0.235 0.000 0.772 351 S HN 0.072 nan 8.310 nan 0.000 0.531 352 L N 2.443 123.798 121.223 0.221 0.000 2.559 352 L HA 0.358 4.697 4.340 -0.001 0.000 0.274 352 L C 1.200 178.212 176.870 0.237 0.000 1.205 352 L CA 1.071 56.046 54.840 0.225 0.000 0.907 352 L CB -0.535 41.647 42.059 0.205 0.000 1.153 352 L HN 0.345 nan 8.230 nan 0.000 0.490 353 G N 2.538 111.488 108.800 0.252 0.000 2.168 353 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.263 353 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.263 353 G C 0.451 175.478 174.900 0.212 0.000 0.977 353 G CA 0.441 45.688 45.100 0.246 0.000 0.659 353 G HN 0.848 nan 8.290 nan 0.000 0.533 354 S N -1.610 114.223 115.700 0.221 0.000 2.664 354 S HA 0.659 5.128 4.470 -0.001 0.000 0.304 354 S C 0.370 175.130 174.600 0.266 0.000 1.099 354 S CA 0.111 58.389 58.200 0.130 0.000 1.003 354 S CB 1.014 64.223 63.200 0.016 0.000 1.092 354 S HN 0.910 nan 8.310 nan 0.000 0.525 355 Y N -1.053 119.317 120.300 0.116 0.000 4.569 355 Y HA -0.201 4.348 4.550 -0.001 0.000 0.237 355 Y C 0.543 176.525 175.900 0.137 0.000 1.090 355 Y CA 0.218 58.383 58.100 0.109 0.000 2.052 355 Y CB -2.279 36.241 38.460 0.099 0.000 1.621 355 Y HN 0.649 nan 8.280 nan 0.000 0.682 356 I N 0.375 121.093 120.570 0.247 0.000 2.813 356 I HA 0.412 4.582 4.170 -0.001 0.000 0.287 356 I C 0.682 176.962 176.117 0.270 0.000 1.196 356 I CA 0.661 62.109 61.300 0.246 0.000 1.421 356 I CB 1.139 39.287 38.000 0.247 0.000 1.365 356 I HN 0.226 nan 8.210 nan 0.000 0.591 357 T N 1.939 116.618 114.554 0.208 0.000 2.900 357 T HA 0.711 5.061 4.350 -0.001 0.000 0.295 357 T C -0.733 174.000 174.700 0.056 0.000 1.044 357 T CA -0.713 61.500 62.100 0.189 0.000 0.995 357 T CB 2.184 71.108 68.868 0.094 0.000 1.072 357 T HN 0.861 nan 8.240 nan 0.000 0.473 358 E N 0.774 120.995 120.200 0.035 0.000 2.343 358 E HA 0.347 4.696 4.350 -0.001 0.000 0.278 358 E C -1.213 175.502 176.600 0.191 0.000 0.910 358 E CA -0.522 55.853 56.400 -0.041 0.000 0.757 358 E CB 2.057 31.522 29.700 -0.392 0.000 1.218 358 E HN 0.713 nan 8.360 nan 0.000 0.435 359 Q N 1.217 121.129 119.800 0.187 0.000 2.327 359 Q HA 0.438 4.778 4.340 -0.001 0.000 0.254 359 Q C -0.437 175.737 176.000 0.290 0.000 0.952 359 Q CA -0.303 55.652 55.803 0.253 0.000 0.884 359 Q CB 1.162 30.075 28.738 0.291 0.000 1.224 359 Q HN 0.507 nan 8.270 nan 0.000 0.422 360 S N 1.661 117.452 115.700 0.152 0.000 2.580 360 S HA 0.369 4.838 4.470 -0.001 0.000 0.274 360 S C -0.639 173.960 174.600 -0.002 0.000 1.329 360 S CA -0.581 57.563 58.200 -0.094 0.000 1.036 360 S CB 0.532 63.568 63.200 -0.272 0.000 0.919 360 S HN 0.404 nan 8.310 nan 0.000 0.515 361 L N 3.702 124.878 121.223 -0.079 0.000 2.404 361 L HA 0.620 4.960 4.340 -0.001 0.000 0.272 361 L C -0.782 175.891 176.870 -0.328 0.000 0.980 361 L CA -0.626 54.071 54.840 -0.238 0.000 0.836 361 L CB 1.497 43.400 42.059 -0.260 0.000 1.238 361 L HN 0.529 nan 8.230 nan 0.000 0.408 362 V N 2.001 121.659 119.914 -0.427 0.000 2.630 362 V HA 0.750 4.869 4.120 -0.001 0.000 0.305 362 V C -0.895 175.040 176.094 -0.265 0.000 1.046 362 V CA -0.660 61.327 62.300 -0.521 0.000 0.934 362 V CB 1.668 33.020 31.823 -0.785 0.000 1.003 362 V HN 0.755 nan 8.190 nan 0.000 0.451 363 F N 4.503 124.223 119.950 -0.382 0.000 2.608 363 F HA 0.846 5.373 4.527 -0.001 0.000 0.309 363 F C -0.430 175.253 175.800 -0.196 0.000 1.103 363 F CA -0.333 57.543 58.000 -0.206 0.000 0.954 363 F CB 1.410 40.330 39.000 -0.133 0.000 1.267 363 F HN 1.227 nan 8.300 nan 0.000 0.444 364 C N 3.140 121.862 119.300 -0.963 0.000 3.320 364 C HA 0.843 5.302 4.460 -0.001 0.000 0.335 364 C C -1.827 172.707 174.990 -0.761 0.000 1.430 364 C CA -0.597 57.842 59.018 -0.966 0.000 1.271 364 C CB 1.706 29.094 27.740 -0.586 0.000 1.609 364 C HN 0.969 nan 8.230 nan 0.000 0.457 365 Q N 0.483 120.059 119.800 -0.374 0.000 2.423 365 Q HA 0.775 5.114 4.340 -0.001 0.000 0.278 365 Q C -0.679 175.392 176.000 0.118 0.000 1.097 365 Q CA -0.264 55.538 55.803 -0.001 0.000 0.809 365 Q CB 2.795 31.530 28.738 -0.004 0.000 1.391 365 Q HN 0.951 nan 8.270 nan 0.000 0.428 366 T N -2.645 112.046 114.554 0.229 0.000 2.916 366 T HA 0.684 5.034 4.350 -0.001 0.000 0.292 366 T C -0.582 174.187 174.700 0.114 0.000 1.055 366 T CA -0.734 61.450 62.100 0.139 0.000 1.009 366 T CB 1.232 70.174 68.868 0.124 0.000 1.118 366 T HN 0.257 nan 8.240 nan 0.000 0.497 367 V N 2.734 122.677 119.914 0.049 0.000 2.328 367 V HA 0.365 4.484 4.120 -0.001 0.000 0.278 367 V C 0.406 176.513 176.094 0.023 0.000 1.021 367 V CA -0.858 61.463 62.300 0.035 0.000 0.838 367 V CB 0.804 32.636 31.823 0.015 0.000 0.999 367 V HN 1.012 nan 8.190 nan 0.000 0.447 368 M N 4.877 124.502 119.600 0.041 0.000 2.235 368 M HA 0.029 4.509 4.480 -0.001 0.000 0.336 368 M C 0.895 177.202 176.300 0.010 0.000 1.146 368 M CA 0.818 56.140 55.300 0.037 0.000 1.018 368 M CB 0.528 33.149 32.600 0.034 0.000 1.694 368 M HN 0.909 nan 8.290 nan 0.000 0.451 369 S N 2.287 117.990 115.700 0.004 0.000 2.585 369 S HA 0.152 4.621 4.470 -0.001 0.000 0.273 369 S C 1.010 175.609 174.600 -0.002 0.000 1.339 369 S CA -0.287 57.905 58.200 -0.012 0.000 1.028 369 S CB 0.799 63.988 63.200 -0.019 0.000 0.906 369 S HN 0.793 nan 8.310 nan 0.000 0.528 370 T N 1.943 116.493 114.554 -0.008 0.000 2.737 370 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 370 T C 1.564 176.268 174.700 0.006 0.000 1.040 370 T CA 2.052 64.152 62.100 -0.000 0.000 1.142 370 T CB -0.476 68.389 68.868 -0.004 0.000 0.861 370 T HN 0.790 nan 8.240 nan 0.000 0.456 371 E N 0.613 120.814 120.200 0.002 0.000 2.072 371 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 371 E C 2.245 178.860 176.600 0.025 0.000 0.985 371 E CA 0.748 57.154 56.400 0.009 0.000 0.801 371 E CB -0.239 29.460 29.700 -0.002 0.000 0.750 371 E HN 0.414 nan 8.360 nan 0.000 0.452 372 L N 0.774 122.014 121.223 0.028 0.000 2.093 372 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 372 L C 2.370 179.273 176.870 0.054 0.000 1.085 372 L CA 0.489 55.359 54.840 0.050 0.000 0.755 372 L CB -0.250 41.838 42.059 0.049 0.000 0.904 372 L HN 0.211 nan 8.230 nan 0.000 0.435 373 I N -0.061 120.528 120.570 0.032 0.000 2.252 373 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 373 I C 2.101 178.239 176.117 0.035 0.000 1.102 373 I CA 1.425 62.739 61.300 0.023 0.000 1.385 373 I CB -1.055 36.950 38.000 0.009 0.000 1.064 373 I HN 0.252 nan 8.210 nan 0.000 0.414 374 D N 0.775 121.197 120.400 0.038 0.000 2.182 374 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 374 D C 2.334 178.675 176.300 0.069 0.000 0.986 374 D CA 1.615 55.642 54.000 0.045 0.000 0.847 374 D CB -0.043 40.778 40.800 0.034 0.000 0.942 374 D HN 0.373 nan 8.370 nan 0.000 0.467 375 S N -0.426 115.325 115.700 0.085 0.000 2.461 375 S HA -0.053 4.417 4.470 -0.001 0.000 0.228 375 S C 2.104 176.824 174.600 0.200 0.000 1.005 375 S CA 0.304 58.586 58.200 0.137 0.000 0.942 375 S CB -0.290 62.992 63.200 0.136 0.000 0.776 375 S HN 0.061 nan 8.310 nan 0.000 0.514 376 V N 2.905 122.902 119.914 0.139 0.000 2.392 376 V HA -0.164 3.956 4.120 -0.001 0.000 0.249 376 V C 2.119 178.302 176.094 0.148 0.000 1.059 376 V CA 2.134 64.521 62.300 0.145 0.000 1.051 376 V CB -0.811 31.037 31.823 0.042 0.000 0.658 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.196 120.661 120.400 0.109 0.000 2.593 377 K HA 0.197 4.516 4.320 -0.001 0.000 0.208 377 K C 1.495 178.151 176.600 0.094 0.000 1.051 377 K CA 0.638 56.982 56.287 0.095 0.000 1.111 377 K CB 0.255 32.800 32.500 0.076 0.000 0.849 377 K HN 0.390 nan 8.250 nan 0.000 0.479 378 S N 0.516 116.292 115.700 0.127 0.000 2.419 378 S HA -0.161 4.308 4.470 -0.001 0.000 0.235 378 S C 0.923 175.552 174.600 0.049 0.000 1.019 378 S CA 1.266 59.519 58.200 0.088 0.000 0.982 378 S CB -0.228 63.028 63.200 0.093 0.000 0.789 378 S HN 0.321 nan 8.310 nan 0.000 0.490 379 D N 0.712 121.148 120.400 0.060 0.000 2.349 379 D HA 0.251 4.890 4.640 -0.001 0.000 0.214 379 D C -0.022 176.325 176.300 0.078 0.000 1.063 379 D CA 0.239 54.259 54.000 0.034 0.000 0.847 379 D CB 0.083 40.878 40.800 -0.009 0.000 0.933 379 D HN 0.387 nan 8.370 nan 0.000 0.513 380 M N 0.614 120.259 119.600 0.075 0.000 2.209 380 M HA 0.245 4.725 4.480 -0.001 0.000 0.355 380 M C 0.118 176.450 176.300 0.053 0.000 1.171 380 M CA -0.121 55.232 55.300 0.088 0.000 1.069 380 M CB 1.127 33.772 32.600 0.074 0.000 1.622 380 M HN -0.312 nan 8.290 nan 0.000 0.459 381 T N 4.336 118.915 114.554 0.041 0.000 2.743 381 T HA 0.605 4.954 4.350 -0.001 0.000 0.293 381 T C 0.081 174.768 174.700 -0.021 0.000 0.945 381 T CA -0.268 61.837 62.100 0.009 0.000 1.030 381 T CB 0.461 69.328 68.868 -0.001 0.000 0.912 381 T HN 0.427 nan 8.240 nan 0.000 0.483 382 I N 3.720 124.276 120.570 -0.024 0.000 2.382 382 I HA 0.384 4.554 4.170 -0.001 0.000 0.286 382 I C 0.259 176.345 176.117 -0.051 0.000 1.002 382 I CA -0.531 60.727 61.300 -0.069 0.000 1.135 382 I CB 1.141 39.141 38.000 -0.000 0.000 1.288 382 I HN 0.390 nan 8.210 nan 0.000 0.448 383 R N 4.198 124.632 120.500 -0.110 0.000 2.589 383 R HA 0.846 5.186 4.340 -0.001 0.000 0.293 383 R C 0.137 176.437 176.300 -0.001 0.000 0.963 383 R CA -0.596 55.477 56.100 -0.046 0.000 0.905 383 R CB 1.859 32.128 30.300 -0.052 0.000 1.144 383 R HN 0.829 nan 8.270 nan 0.000 0.459 384 G N 0.806 109.657 108.800 0.084 0.000 2.698 384 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.225 384 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.225 384 G C -0.825 174.226 174.900 0.252 0.000 1.345 384 G CA -0.602 44.595 45.100 0.160 0.000 0.871 384 G HN 0.613 nan 8.290 nan 0.000 0.540 385 T N 0.647 115.324 114.554 0.206 0.000 2.824 385 T HA 0.663 5.012 4.350 -0.001 0.000 0.280 385 T C -2.796 171.853 174.700 -0.085 0.000 0.995 385 T CA -1.371 60.784 62.100 0.092 0.000 1.009 385 T CB 2.103 70.988 68.868 0.029 0.000 0.955 385 T HN 0.537 nan 8.240 nan 0.000 0.452 386 P HA 0.326 nan 4.420 nan 0.000 0.266 386 P C 1.085 178.154 177.300 -0.384 0.000 1.215 386 P CA 0.686 63.286 63.100 -0.833 0.000 0.763 386 P CB 0.350 31.697 31.700 -0.589 0.000 0.806 387 G N 2.196 110.800 108.800 -0.325 0.000 2.699 387 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.198 387 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.198 387 G C -0.001 174.870 174.900 -0.049 0.000 1.033 387 G CA -0.446 44.572 45.100 -0.136 0.000 0.728 387 G HN 0.486 nan 8.290 nan 0.000 0.484 388 E N 0.476 120.671 120.200 -0.010 0.000 2.351 388 E HA 0.622 4.972 4.350 -0.001 0.000 0.255 388 E C 1.145 177.787 176.600 0.071 0.000 1.188 388 E CA -0.780 55.641 56.400 0.036 0.000 0.940 388 E CB 0.509 30.237 29.700 0.047 0.000 1.094 388 E HN 0.113 nan 8.360 nan 0.000 0.474 389 L N 0.648 121.903 121.223 0.054 0.000 2.492 389 L HA -0.050 4.289 4.340 -0.001 0.000 0.223 389 L C 1.976 178.884 176.870 0.064 0.000 1.132 389 L CA 1.303 56.175 54.840 0.053 0.000 0.850 389 L CB -0.816 41.262 42.059 0.032 0.000 0.966 389 L HN 0.652 nan 8.230 nan 0.000 0.454 390 T N -4.567 110.032 114.554 0.075 0.000 3.014 390 T HA -0.121 4.228 4.350 -0.001 0.000 0.263 390 T C 0.862 175.623 174.700 0.102 0.000 1.078 390 T CA -0.112 62.030 62.100 0.069 0.000 1.135 390 T CB -0.616 68.287 68.868 0.057 0.000 0.895 390 T HN 0.063 nan 8.240 nan 0.000 0.480 391 Y N 4.157 124.460 120.300 0.005 0.000 2.852 391 Y HA 0.277 4.826 4.550 -0.001 0.000 0.343 391 Y C 0.414 176.320 175.900 0.010 0.000 1.280 391 Y CA -0.336 57.769 58.100 0.008 0.000 1.604 391 Y CB -0.097 38.367 38.460 0.006 0.000 1.216 391 Y HN 0.370 nan 8.280 nan 0.000 0.541 392 S N 5.008 120.472 115.700 -0.393 0.000 2.548 392 S HA 0.833 5.302 4.470 -0.001 0.000 0.286 392 S C -1.735 172.555 174.600 -0.516 0.000 1.098 392 S CA -0.861 57.111 58.200 -0.380 0.000 0.930 392 S CB 1.757 64.862 63.200 -0.159 0.000 1.070 392 S HN 0.455 nan 8.310 nan 0.000 0.480 393 V N 3.046 122.747 119.914 -0.355 0.000 2.443 393 V HA 0.747 4.866 4.120 -0.001 0.000 0.293 393 V C 0.010 176.070 176.094 -0.055 0.000 1.021 393 V CA -0.156 62.016 62.300 -0.214 0.000 0.848 393 V CB 1.268 32.994 31.823 -0.161 0.000 0.998 393 V HN 1.206 nan 8.190 nan 0.000 0.424 394 T N 1.829 116.376 114.554 -0.011 0.000 2.883 394 T HA 0.884 5.233 4.350 -0.001 0.000 0.296 394 T C -1.015 173.767 174.700 0.137 0.000 1.117 394 T CA -0.743 61.380 62.100 0.038 0.000 1.006 394 T CB 2.402 71.243 68.868 -0.044 0.000 1.191 394 T HN 0.821 nan 8.240 nan 0.000 0.508 395 Y N -1.678 118.616 120.300 -0.010 0.000 2.615 395 Y HA 0.769 5.318 4.550 -0.001 0.000 0.341 395 Y C -0.838 175.058 175.900 -0.007 0.000 1.089 395 Y CA -1.290 56.806 58.100 -0.007 0.000 1.049 395 Y CB 0.847 39.309 38.460 0.005 0.000 1.296 395 Y HN 0.670 nan 8.280 nan 0.000 0.470 396 T N 4.373 118.918 114.554 -0.015 0.000 2.733 396 T HA 0.397 4.747 4.350 -0.001 0.000 0.294 396 T C -2.767 171.940 174.700 0.012 0.000 0.956 396 T CA -1.297 60.748 62.100 -0.092 0.000 0.987 396 T CB 0.721 69.578 68.868 -0.019 0.000 0.920 396 T HN 0.371 nan 8.240 nan 0.000 0.470 397 P HA 0.294 nan 4.420 nan 0.000 0.271 397 P C 1.119 178.462 177.300 0.071 0.000 1.220 397 P CA 0.555 63.711 63.100 0.093 0.000 0.768 397 P CB 0.559 32.276 31.700 0.028 0.000 0.848 398 G N 2.125 110.979 108.800 0.091 0.000 2.268 398 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.240 398 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.240 398 G C 0.485 175.397 174.900 0.020 0.000 1.010 398 G CA -0.005 45.121 45.100 0.044 0.000 0.618 398 G HN 0.849 nan 8.290 nan 0.000 0.516 399 A N 0.966 123.800 122.820 0.023 0.000 2.587 399 A HA 0.509 4.828 4.320 -0.001 0.000 0.235 399 A C 1.889 179.461 177.584 -0.020 0.000 1.044 399 A CA 1.505 53.543 52.037 0.001 0.000 0.754 399 A CB 0.083 19.088 19.000 0.007 0.000 0.968 399 A HN 1.797 nan 8.150 nan 0.000 0.509 400 S N 1.727 117.412 115.700 -0.024 0.000 2.402 400 S HA -0.214 4.255 4.470 -0.001 0.000 0.233 400 S C 1.458 176.026 174.600 -0.053 0.000 1.030 400 S CA 1.891 60.070 58.200 -0.035 0.000 1.003 400 S CB -0.925 62.259 63.200 -0.028 0.000 0.813 400 S HN 1.254 nan 8.310 nan 0.000 0.477 401 T N -1.257 113.267 114.554 -0.050 0.000 3.081 401 T HA 0.205 4.554 4.350 -0.001 0.000 0.250 401 T C 0.485 175.130 174.700 -0.092 0.000 1.100 401 T CA -0.458 61.603 62.100 -0.063 0.000 1.038 401 T CB -0.472 68.370 68.868 -0.045 0.000 0.962 401 T HN 0.167 nan 8.240 nan 0.000 0.516 402 N N 2.247 120.891 118.700 -0.093 0.000 2.441 402 N HA 0.161 4.900 4.740 -0.001 0.000 0.251 402 N C 0.921 176.271 175.510 -0.267 0.000 1.242 402 N CA -0.110 52.853 53.050 -0.146 0.000 0.898 402 N CB 0.744 39.168 38.487 -0.105 0.000 1.100 402 N HN 0.101 nan 8.380 nan 0.000 0.443 403 K N 0.829 120.958 120.400 -0.452 0.000 2.354 403 K HA 0.125 4.444 4.320 -0.001 0.000 0.194 403 K C -0.031 175.911 176.600 -1.096 0.000 1.045 403 K CA 0.588 56.439 56.287 -0.725 0.000 1.026 403 K CB 0.268 32.249 32.500 -0.864 0.000 0.866 403 K HN 0.584 nan 8.250 nan 0.000 0.530 404 H N -0.012 118.734 119.070 -0.541 0.000 2.855 404 H HA 0.357 4.912 4.556 -0.001 0.000 0.363 404 H C -2.363 172.623 175.328 -0.570 0.000 1.185 404 H CA -2.164 53.392 56.048 -0.820 0.000 1.174 404 H CB 1.249 30.016 29.762 -1.658 0.000 1.857 404 H HN -0.163 nan 8.280 nan 0.000 0.565 405 P HA 0.017 nan 4.420 nan 0.000 0.274 405 P C 0.248 177.359 177.300 -0.314 0.000 1.246 405 P CA -0.228 62.680 63.100 -0.319 0.000 0.795 405 P CB 1.270 32.783 31.700 -0.312 0.000 1.006 406 D N 0.181 120.525 120.400 -0.093 0.000 2.149 406 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 406 D C 1.918 178.232 176.300 0.023 0.000 0.990 406 D CA 1.334 55.344 54.000 0.017 0.000 0.839 406 D CB -0.511 40.392 40.800 0.170 0.000 0.948 406 D HN 0.614 nan 8.370 nan 0.000 0.460 407 W N 0.212 121.585 121.300 0.121 0.000 2.374 407 W HA -0.145 4.514 4.660 -0.001 0.000 0.288 407 W C 1.926 178.531 176.519 0.142 0.000 1.218 407 W CA 0.210 57.626 57.345 0.119 0.000 1.245 407 W CB -1.349 28.175 29.460 0.107 0.000 1.126 407 W HN 0.072 nan 8.180 nan 0.000 0.545 408 W N 3.351 124.176 121.300 -0.792 0.000 2.407 408 W HA -0.117 4.542 4.660 -0.001 0.000 0.305 408 W C 1.815 178.074 176.519 -0.433 0.000 1.196 408 W CA 1.523 58.397 57.345 -0.784 0.000 1.311 408 W CB -1.019 27.691 29.460 -1.250 0.000 1.135 408 W HN -0.131 nan 8.180 nan 0.000 0.514 409 N N 0.979 119.603 118.700 -0.127 0.000 2.216 409 N HA -0.170 4.569 4.740 -0.001 0.000 0.183 409 N C 1.509 176.783 175.510 -0.393 0.000 1.017 409 N CA 1.703 54.520 53.050 -0.388 0.000 0.861 409 N CB -0.568 37.313 38.487 -1.010 0.000 0.986 409 N HN 0.170 nan 8.380 nan 0.000 0.428 410 E N 1.503 121.579 120.200 -0.206 0.000 2.085 410 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 410 E C 1.615 178.277 176.600 0.103 0.000 0.994 410 E CA 1.423 57.883 56.400 0.100 0.000 0.801 410 E CB 0.043 29.873 29.700 0.217 0.000 0.743 410 E HN 0.247 nan 8.360 nan 0.000 0.453 411 K N -0.626 119.820 120.400 0.078 0.000 2.026 411 K HA -0.089 4.230 4.320 -0.001 0.000 0.208 411 K C 2.133 178.755 176.600 0.036 0.000 1.048 411 K CA 1.381 57.706 56.287 0.063 0.000 0.929 411 K CB -0.226 32.293 32.500 0.031 0.000 0.713 411 K HN -0.006 nan 8.250 nan 0.000 0.439 412 V N 1.926 121.826 119.914 -0.024 0.000 2.233 412 V HA -0.313 3.806 4.120 -0.001 0.000 0.247 412 V C 2.350 178.497 176.094 0.089 0.000 1.050 412 V CA 1.783 64.086 62.300 0.006 0.000 1.010 412 V CB -0.471 31.342 31.823 -0.015 0.000 0.637 412 V HN 0.361 nan 8.190 nan 0.000 0.444 413 K N 0.250 120.699 120.400 0.081 0.000 2.032 413 K HA -0.304 4.016 4.320 -0.001 0.000 0.218 413 K C 2.005 178.687 176.600 0.137 0.000 1.054 413 K CA 2.432 58.801 56.287 0.137 0.000 0.941 413 K CB -0.343 32.299 32.500 0.236 0.000 0.720 413 K HN 0.481 nan 8.250 nan 0.000 0.449 414 N N -0.023 118.764 118.700 0.145 0.000 2.188 414 N HA -0.168 4.572 4.740 -0.001 0.000 0.184 414 N C 1.767 177.381 175.510 0.175 0.000 1.018 414 N CA 1.330 54.465 53.050 0.142 0.000 0.858 414 N CB -0.727 37.844 38.487 0.141 0.000 0.989 414 N HN 0.425 nan 8.380 nan 0.000 0.426 415 H N 0.831 119.962 119.070 0.101 0.000 2.319 415 H HA 0.059 4.614 4.556 -0.001 0.000 0.299 415 H C 1.934 177.351 175.328 0.149 0.000 1.092 415 H CA 1.834 57.951 56.048 0.115 0.000 1.302 415 H CB -0.079 29.655 29.762 -0.046 0.000 1.373 415 H HN 0.110 nan 8.280 nan 0.000 0.497 416 M N -0.950 118.714 119.600 0.107 0.000 2.394 416 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 416 M C 1.578 177.971 176.300 0.156 0.000 1.073 416 M CA 0.776 56.134 55.300 0.097 0.000 1.111 416 M CB 0.203 32.913 32.600 0.183 0.000 1.401 416 M HN 0.342 nan 8.290 nan 0.000 0.448 417 M N -0.618 119.057 119.600 0.125 0.000 2.357 417 M HA -0.029 4.450 4.480 -0.001 0.000 0.266 417 M C 1.584 177.917 176.300 0.055 0.000 1.095 417 M CA 1.513 56.895 55.300 0.137 0.000 1.156 417 M CB -0.592 32.060 32.600 0.087 0.000 1.365 417 M HN 0.241 nan 8.290 nan 0.000 0.447 418 Q N -0.920 118.871 119.800 -0.015 0.000 2.360 418 Q HA 0.020 4.359 4.340 -0.001 0.000 0.202 418 Q C -0.075 175.644 176.000 -0.469 0.000 0.915 418 Q CA 0.530 56.228 55.803 -0.176 0.000 0.943 418 Q CB 0.454 29.103 28.738 -0.149 0.000 1.064 418 Q HN 0.459 nan 8.270 nan 0.000 0.511 419 H N -0.082 118.922 119.070 -0.110 0.000 2.511 419 H HA 0.175 4.731 4.556 -0.001 0.000 0.228 419 H C 0.039 175.285 175.328 -0.137 0.000 1.424 419 H CA -0.058 55.912 56.048 -0.130 0.000 1.321 419 H CB 0.578 30.173 29.762 -0.279 0.000 1.720 419 H HN 0.253 nan 8.280 nan 0.000 0.512 420 Q N 0.588 120.366 119.800 -0.037 0.000 2.369 420 Q HA -0.106 4.234 4.340 -0.001 0.000 0.206 420 Q C 1.802 177.750 176.000 -0.087 0.000 0.963 420 Q CA 0.854 56.594 55.803 -0.104 0.000 0.894 420 Q CB 0.402 29.032 28.738 -0.180 0.000 0.965 420 Q HN 0.491 nan 8.270 nan 0.000 0.475 421 E N 1.127 121.320 120.200 -0.012 0.000 2.511 421 E HA -0.102 4.247 4.350 -0.001 0.000 0.196 421 E C -0.473 176.157 176.600 0.050 0.000 1.066 421 E CA 0.507 56.916 56.400 0.014 0.000 0.871 421 E CB -0.014 29.712 29.700 0.043 0.000 0.863 421 E HN 0.190 nan 8.360 nan 0.000 0.520 422 D N 1.389 121.827 120.400 0.063 0.000 2.217 422 D HA 0.180 4.819 4.640 -0.001 0.000 0.243 422 D C -1.705 174.628 176.300 0.055 0.000 1.054 422 D CA -2.202 51.855 54.000 0.096 0.000 0.838 422 D CB 1.757 42.639 40.800 0.136 0.000 1.162 422 D HN -0.227 nan 8.370 nan 0.000 0.472 423 P HA 0.120 nan 4.420 nan 0.000 0.245 423 P C -0.217 177.108 177.300 0.042 0.000 1.206 423 P CA 0.215 63.339 63.100 0.039 0.000 0.781 423 P CB 0.391 32.111 31.700 0.033 0.000 0.994 424 L N 1.405 122.654 121.223 0.045 0.000 2.331 424 L HA 0.386 4.726 4.340 -0.001 0.000 0.275 424 L C -1.602 175.280 176.870 0.019 0.000 1.022 424 L CA -2.221 52.623 54.840 0.006 0.000 0.812 424 L CB 2.398 44.428 42.059 -0.048 0.000 1.257 424 L HN -0.306 nan 8.230 nan 0.000 0.435 425 P HA 0.161 nan 4.420 nan 0.000 0.261 425 P C 0.139 177.308 177.300 -0.218 0.000 1.268 425 P CA 0.358 63.451 63.100 -0.012 0.000 0.833 425 P CB 0.413 32.114 31.700 0.002 0.000 1.231 426 I N 2.380 122.723 120.570 -0.377 0.000 2.371 426 I HA 0.209 4.379 4.170 -0.001 0.000 0.290 426 I C -2.088 173.511 176.117 -0.862 0.000 1.028 426 I CA -2.661 58.348 61.300 -0.485 0.000 1.345 426 I CB 0.666 38.462 38.000 -0.338 0.000 1.407 426 I HN -0.231 nan 8.210 nan 0.000 0.501 427 P HA 0.008 nan 4.420 nan 0.000 0.269 427 P C 0.233 177.262 177.300 -0.451 0.000 1.217 427 P CA 0.037 62.739 63.100 -0.662 0.000 0.783 427 P CB 0.418 31.980 31.700 -0.230 0.000 0.898 428 F N 0.167 119.982 119.950 -0.225 0.000 2.325 428 F HA -0.035 4.492 4.527 -0.001 0.000 0.299 428 F C 1.562 177.317 175.800 -0.076 0.000 1.090 428 F CA 1.518 59.438 58.000 -0.133 0.000 1.392 428 F CB -0.363 38.581 39.000 -0.093 0.000 1.053 428 F HN 0.362 nan 8.300 nan 0.000 0.521 429 E N -0.367 119.904 120.200 0.119 0.000 2.736 429 E HA 0.040 4.389 4.350 -0.001 0.000 0.208 429 E C -0.568 176.048 176.600 0.026 0.000 0.996 429 E CA -0.320 56.125 56.400 0.074 0.000 1.104 429 E CB -0.022 29.725 29.700 0.077 0.000 1.111 429 E HN 0.047 nan 8.360 nan 0.000 0.455 430 D N 2.434 122.824 120.400 -0.017 0.000 2.531 430 D HA -0.005 4.634 4.640 -0.001 0.000 0.239 430 D C -2.286 174.027 176.300 0.022 0.000 1.144 430 D CA -1.162 52.819 54.000 -0.032 0.000 0.869 430 D CB 0.745 41.485 40.800 -0.100 0.000 1.160 430 D HN -0.069 nan 8.370 nan 0.000 0.484 431 P HA 0.085 nan 4.420 nan 0.000 0.271 431 P C -0.381 177.045 177.300 0.210 0.000 1.218 431 P CA -0.309 62.877 63.100 0.143 0.000 0.780 431 P CB 0.420 32.172 31.700 0.087 0.000 0.901 432 E N 3.781 124.125 120.200 0.240 0.000 2.392 432 E HA 0.183 4.532 4.350 -0.001 0.000 0.256 432 E C -2.367 174.285 176.600 0.086 0.000 1.145 432 E CA -2.002 54.468 56.400 0.118 0.000 0.929 432 E CB -0.688 29.039 29.700 0.045 0.000 0.998 432 E HN 0.256 nan 8.360 nan 0.000 0.442 433 P HA 0.031 nan 4.420 nan 0.000 0.271 433 P C -0.564 176.758 177.300 0.036 0.000 1.216 433 P CA 0.092 63.261 63.100 0.115 0.000 0.776 433 P CB 0.478 32.201 31.700 0.038 0.000 0.881 434 Q N 1.583 121.525 119.800 0.235 0.000 3.300 434 Q HA 0.317 4.656 4.340 -0.001 0.000 0.271 434 Q C -0.873 175.247 176.000 0.199 0.000 0.926 434 Q CA -0.398 55.423 55.803 0.030 0.000 0.788 434 Q CB 1.307 29.800 28.738 -0.407 0.000 1.385 434 Q HN 0.209 nan 8.270 nan 0.000 0.424 435 V N 0.568 120.545 119.914 0.106 0.000 2.667 435 V HA 0.726 4.845 4.120 -0.001 0.000 0.308 435 V C 0.129 176.250 176.094 0.046 0.000 1.048 435 V CA -0.445 61.907 62.300 0.087 0.000 0.928 435 V CB 2.083 33.885 31.823 -0.035 0.000 1.004 435 V HN 0.449 nan 8.190 nan 0.000 0.444 436 T N 1.623 116.235 114.554 0.097 0.000 2.923 436 T HA 0.504 4.854 4.350 -0.001 0.000 0.311 436 T C -0.963 173.702 174.700 -0.058 0.000 1.183 436 T CA -0.314 61.781 62.100 -0.008 0.000 1.020 436 T CB 1.843 70.708 68.868 -0.005 0.000 1.165 436 T HN 0.871 nan 8.240 nan 0.000 0.482 437 T N 4.816 119.191 114.554 -0.298 0.000 2.791 437 T HA 0.582 4.931 4.350 -0.001 0.000 0.288 437 T C -0.108 174.460 174.700 -0.220 0.000 0.999 437 T CA -0.656 61.119 62.100 -0.542 0.000 0.952 437 T CB -0.043 68.018 68.868 -1.345 0.000 0.938 437 T HN 0.553 nan 8.240 nan 0.000 0.444 438 L N 4.791 125.969 121.223 -0.075 0.000 2.456 438 L HA 0.320 4.659 4.340 -0.001 0.000 0.272 438 L C 0.781 177.667 176.870 0.027 0.000 1.189 438 L CA -0.800 54.080 54.840 0.067 0.000 0.846 438 L CB 0.114 42.202 42.059 0.048 0.000 1.111 438 L HN 0.682 nan 8.230 nan 0.000 0.475 439 F N 3.736 123.635 119.950 -0.084 0.000 2.413 439 F HA -0.180 4.346 4.527 -0.001 0.000 0.416 439 F C 0.353 175.908 175.800 -0.407 0.000 0.949 439 F CA 0.864 58.717 58.000 -0.244 0.000 1.162 439 F CB 0.066 38.973 39.000 -0.156 0.000 0.897 439 F HN 0.433 nan 8.300 nan 0.000 0.540 440 Q N 6.778 126.042 119.800 -0.894 0.000 2.501 440 Q HA 0.265 4.604 4.340 -0.001 0.000 0.288 440 Q C -1.971 173.574 176.000 -0.758 0.000 1.051 440 Q CA -1.725 53.666 55.803 -0.687 0.000 0.788 440 Q CB 1.483 29.685 28.738 -0.893 0.000 1.469 440 Q HN 0.217 nan 8.270 nan 0.000 0.416 441 P HA -0.184 nan 4.420 nan 0.000 0.217 441 P C 1.160 178.243 177.300 -0.361 0.000 1.148 441 P CA 1.850 64.787 63.100 -0.271 0.000 0.828 441 P CB 0.210 31.834 31.700 -0.126 0.000 0.783 442 S N -1.465 114.013 115.700 -0.370 0.000 2.496 442 S HA -0.098 4.372 4.470 -0.001 0.000 0.224 442 S C 0.574 174.960 174.600 -0.358 0.000 0.996 442 S CA 0.110 58.156 58.200 -0.257 0.000 0.927 442 S CB -1.289 61.863 63.200 -0.080 0.000 0.774 442 S HN 0.434 nan 8.310 nan 0.000 0.524 443 H N -0.914 117.702 119.070 -0.757 0.000 2.488 443 H HA 0.494 5.049 4.556 -0.001 0.000 0.237 443 H C -3.155 171.014 175.328 -1.931 0.000 1.395 443 H CA -1.998 53.213 56.048 -1.395 0.000 1.491 443 H CB 0.625 29.816 29.762 -0.952 0.000 1.567 443 H HN 0.077 nan 8.280 nan 0.000 0.508 444 P HA 0.071 nan 4.420 nan 0.000 0.220 444 P C -1.269 175.527 177.300 -0.840 0.000 1.778 444 P CA 0.132 62.161 63.100 -1.784 0.000 0.912 444 P CB -1.078 30.168 31.700 -0.756 0.000 1.861 445 W N -1.029 119.977 121.300 -0.491 0.000 3.217 445 W HA 0.508 5.168 4.660 -0.001 0.000 0.323 445 W C -0.735 175.888 176.519 0.173 0.000 1.216 445 W CA -1.355 56.038 57.345 0.081 0.000 1.194 445 W CB -0.026 29.487 29.460 0.088 0.000 1.397 445 W HN -0.062 nan 8.180 nan 0.000 0.537 446 H N 1.476 120.827 119.070 0.468 0.000 2.707 446 H HA 0.557 5.112 4.556 -0.001 0.000 0.359 446 H C -0.007 175.470 175.328 0.249 0.000 1.113 446 H CA 0.869 57.097 56.048 0.300 0.000 1.422 446 H CB 1.208 31.108 29.762 0.230 0.000 1.443 446 H HN 0.566 nan 8.280 nan 0.000 0.591 447 T N 2.325 116.544 114.554 -0.559 0.000 2.861 447 T HA 0.454 4.803 4.350 -0.001 0.000 0.287 447 T C -0.774 173.610 174.700 -0.527 0.000 1.003 447 T CA -1.136 60.617 62.100 -0.578 0.000 0.977 447 T CB 1.443 69.874 68.868 -0.728 0.000 0.996 447 T HN 0.654 nan 8.240 nan 0.000 0.448 448 Q N 2.561 122.234 119.800 -0.212 0.000 2.309 448 Q HA 0.513 4.852 4.340 -0.001 0.000 0.270 448 Q C -0.891 174.983 176.000 -0.210 0.000 1.023 448 Q CA -0.645 54.969 55.803 -0.314 0.000 0.758 448 Q CB 2.398 30.817 28.738 -0.531 0.000 1.247 448 Q HN 0.717 nan 8.270 nan 0.000 0.455 449 I N 4.026 124.460 120.570 -0.227 0.000 2.428 449 I HA 0.374 4.543 4.170 -0.001 0.000 0.279 449 I C -0.326 175.716 176.117 -0.125 0.000 1.040 449 I CA -0.385 60.680 61.300 -0.391 0.000 1.171 449 I CB 0.163 37.810 38.000 -0.590 0.000 1.312 449 I HN 0.761 nan 8.210 nan 0.000 0.470 450 H N 4.164 123.089 119.070 -0.241 0.000 2.917 450 H HA 0.661 5.216 4.556 -0.001 0.000 0.269 450 H C -1.282 174.012 175.328 -0.057 0.000 1.488 450 H CA -1.314 54.665 56.048 -0.116 0.000 1.173 450 H CB 1.551 31.278 29.762 -0.058 0.000 1.868 450 H HN 0.166 nan 8.280 nan 0.000 0.600 451 R N 1.250 121.601 120.500 -0.247 0.000 2.574 451 R HA 0.451 4.790 4.340 -0.001 0.000 0.288 451 R C -1.612 174.508 176.300 -0.301 0.000 1.004 451 R CA -0.573 55.357 56.100 -0.283 0.000 0.895 451 R CB 1.820 32.060 30.300 -0.101 0.000 1.191 451 R HN 0.894 nan 8.270 nan 0.000 0.444 452 D N 0.212 120.460 120.400 -0.254 0.000 2.755 452 D HA 0.350 4.989 4.640 -0.001 0.000 0.277 452 D C -1.495 174.721 176.300 -0.140 0.000 1.261 452 D CA -0.390 53.494 54.000 -0.193 0.000 0.759 452 D CB 2.205 42.916 40.800 -0.148 0.000 1.279 452 D HN 0.485 nan 8.370 nan 0.000 0.420 453 A N 1.353 123.957 122.820 -0.360 0.000 2.276 453 A HA 0.661 4.981 4.320 -0.001 0.000 0.300 453 A C -1.080 176.140 177.584 -0.607 0.000 1.235 453 A CA -0.058 51.813 52.037 -0.277 0.000 0.867 453 A CB -0.217 18.734 19.000 -0.082 0.000 1.137 453 A HN 0.289 nan 8.150 nan 0.000 0.527 454 F N 0.445 120.230 119.950 -0.276 0.000 2.664 454 F HA 0.411 4.937 4.527 -0.001 0.000 0.329 454 F C 1.665 177.232 175.800 -0.388 0.000 1.090 454 F CA -0.031 57.740 58.000 -0.383 0.000 0.978 454 F CB 1.691 40.247 39.000 -0.741 0.000 1.378 454 F HN 0.550 nan 8.300 nan 0.000 0.495 455 S N -0.640 115.011 115.700 -0.081 0.000 2.474 455 S HA -0.050 4.419 4.470 -0.001 0.000 0.235 455 S C -0.027 174.584 174.600 0.018 0.000 0.997 455 S CA 0.736 58.917 58.200 -0.032 0.000 0.949 455 S CB -1.018 62.212 63.200 0.051 0.000 0.766 455 S HN 0.525 nan 8.310 nan 0.000 0.517 456 Y N -2.413 117.863 120.300 -0.041 0.000 2.650 456 Y HA 0.824 5.374 4.550 -0.001 0.000 0.331 456 Y C 1.164 176.999 175.900 -0.108 0.000 1.082 456 Y CA -1.066 56.972 58.100 -0.102 0.000 1.171 456 Y CB 0.769 39.115 38.460 -0.190 0.000 1.326 456 Y HN 0.094 nan 8.280 nan 0.000 0.513 457 G N -0.824 107.941 108.800 -0.058 0.000 2.260 457 G HA2 0.377 4.337 3.960 -0.001 0.000 0.179 457 G HA3 0.377 4.337 3.960 -0.001 0.000 0.179 457 G C 0.012 174.963 174.900 0.085 0.000 1.002 457 G CA -0.161 44.909 45.100 -0.050 0.000 0.677 457 G HN 2.229 nan 8.290 nan 0.000 0.486 458 A N -1.602 121.256 122.820 0.063 0.000 2.425 458 A HA 0.376 4.696 4.320 -0.001 0.000 0.683 458 A C 0.273 177.896 177.584 0.064 0.000 0.138 458 A CA -0.051 52.038 52.037 0.087 0.000 0.042 458 A CB -1.129 17.953 19.000 0.136 0.000 3.957 458 A HN 1.751 nan 8.150 nan 0.000 0.546 459 V N 3.808 123.753 119.914 0.051 0.000 2.516 459 V HA 0.103 4.222 4.120 -0.001 0.000 0.240 459 V C 0.872 176.995 176.094 0.049 0.000 1.084 459 V CA 1.451 63.778 62.300 0.045 0.000 1.254 459 V CB -0.405 31.441 31.823 0.038 0.000 1.224 459 V HN 0.786 nan 8.190 nan 0.000 0.480 460 Q N 3.574 123.405 119.800 0.052 0.000 2.327 460 Q HA 0.346 4.686 4.340 -0.001 0.000 0.270 460 Q C 0.056 176.083 176.000 0.045 0.000 1.022 460 Q CA -0.486 55.347 55.803 0.050 0.000 0.773 460 Q CB 2.115 30.889 28.738 0.060 0.000 1.251 460 Q HN 0.645 nan 8.270 nan 0.000 0.457 461 Q N 0.978 120.802 119.800 0.040 0.000 2.353 461 Q HA 0.074 4.413 4.340 -0.001 0.000 0.240 461 Q C 1.416 177.437 176.000 0.036 0.000 0.868 461 Q CA 0.856 56.681 55.803 0.037 0.000 0.944 461 Q CB 0.756 29.513 28.738 0.033 0.000 1.104 461 Q HN 0.693 nan 8.270 nan 0.000 0.531 462 S N -0.445 115.276 115.700 0.034 0.000 2.501 462 S HA 0.123 4.592 4.470 -0.001 0.000 0.220 462 S C 0.965 175.585 174.600 0.034 0.000 0.997 462 S CA -0.050 58.169 58.200 0.032 0.000 0.919 462 S CB 0.272 63.489 63.200 0.027 0.000 0.778 462 S HN 0.037 nan 8.310 nan 0.000 0.523 463 I N 3.140 123.732 120.570 0.037 0.000 2.336 463 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 463 I C 0.123 176.265 176.117 0.043 0.000 0.991 463 I CA -1.066 60.257 61.300 0.037 0.000 1.227 463 I CB 1.078 39.099 38.000 0.036 0.000 1.366 463 I HN 0.196 nan 8.210 nan 0.000 0.466 464 D N 4.110 124.537 120.400 0.044 0.000 2.533 464 D HA -0.072 4.568 4.640 -0.001 0.000 0.236 464 D C 1.203 177.531 176.300 0.047 0.000 1.137 464 D CA 0.267 54.298 54.000 0.052 0.000 0.867 464 D CB 1.154 41.986 40.800 0.052 0.000 1.170 464 D HN 0.646 nan 8.370 nan 0.000 0.474 465 S N 4.026 119.758 115.700 0.054 0.000 2.469 465 S HA -0.148 4.322 4.470 -0.001 0.000 0.238 465 S C 1.631 176.252 174.600 0.035 0.000 0.998 465 S CA 0.503 58.731 58.200 0.048 0.000 0.957 465 S CB 0.013 63.243 63.200 0.051 0.000 0.764 465 S HN 0.526 nan 8.310 nan 0.000 0.514 466 R N 0.611 121.125 120.500 0.023 0.000 2.189 466 R HA 0.222 4.561 4.340 -0.001 0.000 0.218 466 R C 1.796 178.090 176.300 -0.010 0.000 1.074 466 R CA 0.913 57.008 56.100 -0.009 0.000 0.991 466 R CB -0.453 29.815 30.300 -0.054 0.000 0.883 466 R HN 0.447 nan 8.270 nan 0.000 0.457 467 L N 0.352 121.581 121.223 0.009 0.000 2.341 467 L HA 0.073 4.413 4.340 -0.001 0.000 0.214 467 L C 0.672 177.567 176.870 0.043 0.000 1.115 467 L CA 0.284 55.136 54.840 0.020 0.000 0.820 467 L CB -0.009 42.063 42.059 0.022 0.000 0.944 467 L HN 0.056 nan 8.230 nan 0.000 0.452 468 I N 0.152 120.750 120.570 0.048 0.000 2.441 468 I HA 0.144 4.314 4.170 -0.001 0.000 0.287 468 I C -0.407 175.754 176.117 0.073 0.000 1.049 468 I CA -0.066 61.276 61.300 0.069 0.000 1.381 468 I CB 1.369 39.409 38.000 0.067 0.000 1.409 468 I HN -0.280 nan 8.210 nan 0.000 0.523 469 V N 5.260 125.247 119.914 0.122 0.000 2.656 469 V HA 0.338 4.458 4.120 -0.001 0.000 0.307 469 V C -0.737 175.419 176.094 0.104 0.000 1.051 469 V CA -0.865 61.480 62.300 0.076 0.000 0.893 469 V CB 2.092 33.957 31.823 0.069 0.000 0.999 469 V HN 0.589 nan 8.190 nan 0.000 0.426 470 D N 2.612 123.014 120.400 0.004 0.000 2.210 470 D HA 0.395 5.034 4.640 -0.001 0.000 0.249 470 D C -1.000 175.269 176.300 -0.051 0.000 1.062 470 D CA -0.027 54.046 54.000 0.122 0.000 0.891 470 D CB 1.384 42.303 40.800 0.198 0.000 1.186 470 D HN 0.437 nan 8.370 nan 0.000 0.432 471 W N 1.481 122.869 121.300 0.146 0.000 2.411 471 W HA 0.425 5.085 4.660 -0.001 0.000 0.317 471 W C 0.368 176.996 176.519 0.182 0.000 1.030 471 W CA -0.843 56.593 57.345 0.152 0.000 1.239 471 W CB 1.074 30.497 29.460 -0.061 0.000 1.304 471 W HN -0.079 nan 8.180 nan 0.000 0.437 472 R N 3.092 123.821 120.500 0.382 0.000 2.435 472 R HA 0.472 4.811 4.340 -0.001 0.000 0.308 472 R C -1.497 174.919 176.300 0.192 0.000 0.975 472 R CA -0.859 55.317 56.100 0.127 0.000 0.867 472 R CB 1.402 31.685 30.300 -0.029 0.000 1.171 472 R HN 0.177 nan 8.270 nan 0.000 0.470 473 F N 3.281 123.044 119.950 -0.311 0.000 2.458 473 F HA 0.480 5.006 4.527 -0.001 0.000 0.336 473 F C -0.358 175.273 175.800 -0.282 0.000 1.114 473 F CA -1.381 56.527 58.000 -0.153 0.000 0.987 473 F CB 1.024 39.918 39.000 -0.177 0.000 1.130 473 F HN 0.291 nan 8.300 nan 0.000 0.458 474 F N 1.487 121.601 119.950 0.274 0.000 2.449 474 F HA 0.661 5.188 4.527 -0.001 0.000 0.342 474 F C 0.656 176.648 175.800 0.321 0.000 1.127 474 F CA -1.245 56.914 58.000 0.264 0.000 0.975 474 F CB 1.331 40.536 39.000 0.342 0.000 1.146 474 F HN 0.517 nan 8.300 nan 0.000 0.444 475 G N 2.042 111.068 108.800 0.376 0.000 2.477 475 G HA2 0.624 4.583 3.960 -0.001 0.000 0.304 475 G HA3 0.624 4.583 3.960 -0.001 0.000 0.304 475 G C -0.910 174.171 174.900 0.302 0.000 1.175 475 G CA -1.043 44.269 45.100 0.353 0.000 0.907 475 G HN 0.735 nan 8.290 nan 0.000 0.509 476 R N -0.778 119.897 120.500 0.292 0.000 2.474 476 R HA 0.680 5.019 4.340 -0.001 0.000 0.295 476 R C -1.172 175.219 176.300 0.152 0.000 0.980 476 R CA -0.556 55.640 56.100 0.161 0.000 0.934 476 R CB 1.550 31.961 30.300 0.186 0.000 1.101 476 R HN 0.281 nan 8.270 nan 0.000 0.469 477 T N 2.625 117.233 114.554 0.089 0.000 2.812 477 T HA 0.175 4.524 4.350 -0.001 0.000 0.282 477 T C -0.890 173.876 174.700 0.111 0.000 0.990 477 T CA -0.720 61.477 62.100 0.162 0.000 0.960 477 T CB 1.387 70.417 68.868 0.270 0.000 0.948 477 T HN 0.607 nan 8.240 nan 0.000 0.438 478 E N 4.342 124.613 120.200 0.117 0.000 2.415 478 E HA 0.130 4.480 4.350 -0.001 0.000 0.263 478 E C -2.173 174.496 176.600 0.115 0.000 0.995 478 E CA -1.416 55.046 56.400 0.103 0.000 0.915 478 E CB 0.267 30.020 29.700 0.088 0.000 0.951 478 E HN 0.282 nan 8.360 nan 0.000 0.449 479 P HA 0.076 nan 4.420 nan 0.000 0.276 479 P C -0.896 176.553 177.300 0.249 0.000 1.264 479 P CA 0.041 63.275 63.100 0.222 0.000 0.769 479 P CB 0.606 32.465 31.700 0.266 0.000 0.840 480 K N 2.761 123.237 120.400 0.128 0.000 2.324 480 K HA 0.154 4.473 4.320 -0.001 0.000 0.253 480 K C 1.037 177.458 176.600 -0.298 0.000 0.932 480 K CA -0.711 55.573 56.287 -0.006 0.000 0.799 480 K CB 2.194 34.656 32.500 -0.062 0.000 1.154 480 K HN 0.390 nan 8.250 nan 0.000 0.425 481 E N 2.557 122.408 120.200 -0.580 0.000 2.160 481 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 481 E C 0.836 177.170 176.600 -0.444 0.000 0.991 481 E CA 1.402 57.199 56.400 -1.005 0.000 0.810 481 E CB 0.549 29.871 29.700 -0.630 0.000 0.742 481 E HN 0.614 nan 8.360 nan 0.000 0.466 482 E N 0.199 120.246 120.200 -0.256 0.000 2.418 482 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 482 E C 0.003 176.543 176.600 -0.101 0.000 1.026 482 E CA 0.145 56.458 56.400 -0.146 0.000 0.862 482 E CB -0.338 29.292 29.700 -0.115 0.000 0.799 482 E HN -0.003 nan 8.360 nan 0.000 0.518 483 N N 2.034 120.665 118.700 -0.116 0.000 2.406 483 N HA 0.179 4.919 4.740 -0.001 0.000 0.251 483 N C -0.805 174.762 175.510 0.095 0.000 1.069 483 N CA 0.087 53.125 53.050 -0.019 0.000 0.947 483 N CB 1.070 39.519 38.487 -0.064 0.000 1.111 483 N HN 0.113 nan 8.380 nan 0.000 0.497 484 K N 1.244 121.753 120.400 0.182 0.000 2.435 484 K HA 0.487 4.807 4.320 -0.001 0.000 0.251 484 K C -1.172 175.574 176.600 0.243 0.000 0.954 484 K CA -0.943 55.471 56.287 0.211 0.000 0.820 484 K CB 2.438 35.067 32.500 0.216 0.000 1.292 484 K HN 0.152 nan 8.250 nan 0.000 0.436 485 L N 3.881 125.195 121.223 0.153 0.000 2.325 485 L HA 0.571 4.911 4.340 -0.001 0.000 0.281 485 L C -1.397 175.371 176.870 -0.170 0.000 1.004 485 L CA -0.114 54.641 54.840 -0.142 0.000 0.823 485 L CB 0.638 42.634 42.059 -0.105 0.000 1.236 485 L HN 0.710 nan 8.230 nan 0.000 0.415 486 W N 3.595 124.563 121.300 -0.554 0.000 3.060 486 W HA 0.643 5.303 4.660 -0.001 0.000 0.346 486 W C -2.131 173.864 176.519 -0.873 0.000 1.194 486 W CA -1.223 55.869 57.345 -0.421 0.000 1.105 486 W CB 0.997 30.374 29.460 -0.137 0.000 1.487 486 W HN 0.314 nan 8.180 nan 0.000 0.592 487 F N 1.588 121.694 119.950 0.260 0.000 2.536 487 F HA 0.312 4.838 4.527 -0.001 0.000 0.322 487 F C 0.826 176.769 175.800 0.238 0.000 1.144 487 F CA -0.877 57.168 58.000 0.074 0.000 0.924 487 F CB 1.914 40.942 39.000 0.046 0.000 1.181 487 F HN 0.287 nan 8.300 nan 0.000 0.438 488 S N 1.265 117.085 115.700 0.201 0.000 2.558 488 S HA -0.036 4.433 4.470 -0.001 0.000 0.291 488 S C 0.780 175.519 174.600 0.232 0.000 1.306 488 S CA -0.023 58.340 58.200 0.273 0.000 1.056 488 S CB 0.300 63.575 63.200 0.125 0.000 0.836 488 S HN 0.698 nan 8.310 nan 0.000 0.504 489 D N 1.897 122.418 120.400 0.202 0.000 2.363 489 D HA 0.121 4.761 4.640 -0.001 0.000 0.214 489 D C 0.847 177.206 176.300 0.099 0.000 1.093 489 D CA 0.024 54.103 54.000 0.132 0.000 0.837 489 D CB 0.027 40.889 40.800 0.104 0.000 0.948 489 D HN 0.715 nan 8.370 nan 0.000 0.507 490 K N -0.716 119.747 120.400 0.105 0.000 2.493 490 K HA 0.224 4.544 4.320 -0.001 0.000 0.201 490 K C 0.350 176.992 176.600 0.071 0.000 1.355 490 K CA -0.289 56.044 56.287 0.078 0.000 0.953 490 K CB 0.510 33.054 32.500 0.073 0.000 1.316 490 K HN -0.107 nan 8.250 nan 0.000 0.522 491 I N 3.808 124.423 120.570 0.075 0.000 2.428 491 I HA 0.179 4.348 4.170 -0.001 0.000 0.289 491 I C 0.237 176.390 176.117 0.060 0.000 1.019 491 I CA -0.103 61.231 61.300 0.057 0.000 1.351 491 I CB 0.909 38.933 38.000 0.040 0.000 1.412 491 I HN 0.335 nan 8.210 nan 0.000 0.513 492 T N 1.446 116.032 114.554 0.054 0.000 2.912 492 T HA 0.586 4.936 4.350 -0.001 0.000 0.288 492 T C -0.234 174.503 174.700 0.062 0.000 1.030 492 T CA -0.892 61.246 62.100 0.065 0.000 1.020 492 T CB 2.344 71.247 68.868 0.058 0.000 1.056 492 T HN 0.544 nan 8.240 nan 0.000 0.480 493 D N 1.309 121.763 120.400 0.090 0.000 2.453 493 D HA 0.455 5.095 4.640 -0.001 0.000 0.282 493 D C 1.624 177.958 176.300 0.057 0.000 1.222 493 D CA -0.367 53.687 54.000 0.090 0.000 1.079 493 D CB -0.269 40.628 40.800 0.162 0.000 1.128 493 D HN 0.640 nan 8.370 nan 0.000 0.568 494 A N -1.689 121.144 122.820 0.021 0.000 2.119 494 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 494 A C 1.191 178.587 177.584 -0.314 0.000 1.153 494 A CA 0.642 52.575 52.037 -0.173 0.000 0.692 494 A CB -0.874 17.962 19.000 -0.273 0.000 0.799 494 A HN 0.533 nan 8.150 nan 0.000 0.458 495 Y N 0.016 120.349 120.300 0.055 0.000 2.658 495 Y HA 0.178 4.728 4.550 -0.001 0.000 0.276 495 Y C 0.539 176.477 175.900 0.063 0.000 1.167 495 Y CA -0.447 57.689 58.100 0.061 0.000 1.230 495 Y CB 0.028 38.514 38.460 0.043 0.000 1.144 495 Y HN 0.367 nan 8.280 nan 0.000 0.529 496 N N -0.062 118.715 118.700 0.130 0.000 2.714 496 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 496 N C -0.451 175.114 175.510 0.092 0.000 1.117 496 N CA 0.849 53.953 53.050 0.089 0.000 0.719 496 N CB -0.798 37.725 38.487 0.059 0.000 1.081 496 N HN 0.323 nan 8.380 nan 0.000 0.557 497 M N -0.169 119.505 119.600 0.124 0.000 2.654 497 M HA 0.397 4.877 4.480 -0.001 0.000 0.310 497 M C -2.149 174.218 176.300 0.112 0.000 1.211 497 M CA -1.986 53.376 55.300 0.102 0.000 0.947 497 M CB 0.446 33.116 32.600 0.118 0.000 1.647 497 M HN -0.314 nan 8.290 nan 0.000 0.481 498 P HA 0.022 nan 4.420 nan 0.000 0.263 498 P C -0.619 176.827 177.300 0.243 0.000 1.195 498 P CA 0.031 63.227 63.100 0.160 0.000 0.762 498 P CB 0.195 31.997 31.700 0.170 0.000 0.799 499 Q N 7.149 127.037 119.800 0.147 0.000 2.271 499 Q HA 0.120 4.460 4.340 -0.001 0.000 0.273 499 Q C -2.213 173.742 176.000 -0.075 0.000 1.051 499 Q CA -1.677 54.158 55.803 0.053 0.000 0.901 499 Q CB -0.239 28.490 28.738 -0.016 0.000 1.174 499 Q HN 0.309 nan 8.270 nan 0.000 0.385 500 P HA 0.158 nan 4.420 nan 0.000 0.275 500 P C -1.089 175.731 177.300 -0.800 0.000 1.228 500 P CA -0.261 62.453 63.100 -0.644 0.000 0.786 500 P CB 1.147 32.590 31.700 -0.429 0.000 0.927 501 T N 2.519 116.353 114.554 -1.200 0.000 2.991 501 T HA 0.461 4.811 4.350 -0.001 0.000 0.303 501 T C -0.669 173.375 174.700 -1.093 0.000 1.015 501 T CA -0.124 61.277 62.100 -1.166 0.000 1.007 501 T CB 0.392 68.202 68.868 -1.764 0.000 1.034 501 T HN 0.061 nan 8.240 nan 0.000 0.446 502 F N 2.055 121.732 119.950 -0.455 0.000 2.399 502 F HA 0.553 5.080 4.527 -0.001 0.000 0.334 502 F C 0.641 176.400 175.800 -0.068 0.000 1.097 502 F CA -0.869 56.992 58.000 -0.230 0.000 1.076 502 F CB 1.146 40.055 39.000 -0.152 0.000 1.162 502 F HN 0.407 nan 8.300 nan 0.000 0.495 503 D N 3.570 124.141 120.400 0.285 0.000 2.389 503 D HA 0.249 4.889 4.640 -0.001 0.000 0.256 503 D C -1.823 174.603 176.300 0.211 0.000 1.239 503 D CA -0.107 54.039 54.000 0.244 0.000 0.925 503 D CB 0.583 41.556 40.800 0.289 0.000 1.145 503 D HN 0.324 nan 8.370 nan 0.000 0.542 504 F N 3.462 123.401 119.950 -0.019 0.000 2.588 504 F HA 0.552 5.079 4.527 -0.001 0.000 0.314 504 F C -1.327 174.362 175.800 -0.185 0.000 1.134 504 F CA -0.578 57.344 58.000 -0.130 0.000 0.961 504 F CB 1.362 40.227 39.000 -0.225 0.000 1.239 504 F HN 0.062 nan 8.300 nan 0.000 0.448 505 R N 4.363 124.335 120.500 -0.880 0.000 2.698 505 R HA 0.360 4.699 4.340 -0.001 0.000 0.275 505 R C -1.675 174.003 176.300 -1.038 0.000 1.001 505 R CA -0.952 54.746 56.100 -0.670 0.000 0.896 505 R CB 1.817 31.947 30.300 -0.284 0.000 1.218 505 R HN 0.581 nan 8.270 nan 0.000 0.462 506 F N 2.864 122.590 119.950 -0.374 0.000 2.541 506 F HA 0.169 4.696 4.527 -0.001 0.000 0.378 506 F C -1.328 174.340 175.800 -0.219 0.000 1.068 506 F CA -1.184 56.670 58.000 -0.244 0.000 1.199 506 F CB -0.160 38.816 39.000 -0.040 0.000 1.091 506 F HN 0.123 nan 8.300 nan 0.000 0.555 507 P HA 0.060 nan 4.420 nan 0.000 0.265 507 P C -0.428 176.875 177.300 0.005 0.000 1.187 507 P CA -0.036 63.030 63.100 -0.056 0.000 0.766 507 P CB 0.512 32.192 31.700 -0.033 0.000 0.820 508 A N 2.801 125.613 122.820 -0.014 0.000 2.310 508 A HA 0.598 4.918 4.320 -0.001 0.000 0.260 508 A C 1.111 178.703 177.584 0.014 0.000 1.112 508 A CA 0.658 52.694 52.037 -0.002 0.000 0.804 508 A CB -0.882 18.111 19.000 -0.013 0.000 1.081 508 A HN 0.821 nan 8.150 nan 0.000 0.499 509 G N -0.340 108.470 108.800 0.017 0.000 2.496 509 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.243 509 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.243 509 G C 1.036 175.962 174.900 0.043 0.000 1.176 509 G CA 0.764 45.881 45.100 0.028 0.000 0.940 509 G HN 1.004 nan 8.290 nan 0.000 0.573 510 R N -0.206 120.327 120.500 0.056 0.000 2.081 510 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 510 R C 2.817 179.174 176.300 0.094 0.000 1.131 510 R CA 2.597 58.742 56.100 0.075 0.000 0.960 510 R CB -0.879 29.468 30.300 0.079 0.000 0.856 510 R HN 0.621 nan 8.270 nan 0.000 0.436 511 T N 0.119 114.731 114.554 0.096 0.000 2.720 511 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 511 T C 1.917 176.671 174.700 0.090 0.000 1.037 511 T CA 1.764 63.937 62.100 0.121 0.000 1.144 511 T CB -0.141 68.815 68.868 0.147 0.000 0.864 511 T HN 0.259 nan 8.240 nan 0.000 0.444 512 S N 0.575 116.310 115.700 0.058 0.000 2.371 512 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 512 S C 2.031 176.636 174.600 0.010 0.000 1.029 512 S CA 1.030 59.235 58.200 0.008 0.000 0.978 512 S CB -0.177 63.021 63.200 -0.004 0.000 0.833 512 S HN 0.526 nan 8.310 nan 0.000 0.466 513 K N 1.421 121.844 120.400 0.038 0.000 2.026 513 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 513 K C 1.928 178.580 176.600 0.088 0.000 1.048 513 K CA 1.543 57.861 56.287 0.051 0.000 0.929 513 K CB -0.151 32.385 32.500 0.060 0.000 0.713 513 K HN 0.333 nan 8.250 nan 0.000 0.439 514 E N 0.006 120.285 120.200 0.131 0.000 2.085 514 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 514 E C 2.015 178.695 176.600 0.134 0.000 0.994 514 E CA 1.187 57.719 56.400 0.219 0.000 0.801 514 E CB -0.189 29.675 29.700 0.274 0.000 0.743 514 E HN 0.491 nan 8.360 nan 0.000 0.453 515 A N 1.278 124.147 122.820 0.081 0.000 1.908 515 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 515 A C 2.084 179.721 177.584 0.088 0.000 1.181 515 A CA 1.907 53.983 52.037 0.067 0.000 0.627 515 A CB -0.427 18.571 19.000 -0.003 0.000 0.818 515 A HN 0.161 nan 8.150 nan 0.000 0.445 516 E N 0.371 120.603 120.200 0.052 0.000 2.107 516 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 516 E C 1.268 177.844 176.600 -0.039 0.000 0.982 516 E CA 1.423 57.857 56.400 0.058 0.000 0.809 516 E CB -0.256 29.451 29.700 0.012 0.000 0.756 516 E HN 0.529 nan 8.360 nan 0.000 0.459 517 D N -0.111 120.261 120.400 -0.048 0.000 2.178 517 D HA -0.151 4.488 4.640 -0.001 0.000 0.202 517 D C 1.874 177.928 176.300 -0.410 0.000 0.974 517 D CA 0.975 54.933 54.000 -0.070 0.000 0.841 517 D CB -0.269 40.612 40.800 0.134 0.000 0.953 517 D HN 0.342 nan 8.370 nan 0.000 0.478 518 M N -0.159 119.001 119.600 -0.733 0.000 2.099 518 M HA -0.177 4.303 4.480 -0.001 0.000 0.262 518 M C 2.094 177.985 176.300 -0.682 0.000 1.067 518 M CA 1.127 55.637 55.300 -1.317 0.000 1.124 518 M CB -0.002 31.979 32.600 -1.032 0.000 1.353 518 M HN -0.069 nan 8.290 nan 0.000 0.410 519 M N 0.733 120.058 119.600 -0.459 0.000 2.082 519 M HA -0.198 4.281 4.480 -0.001 0.000 0.258 519 M C 1.811 177.898 176.300 -0.355 0.000 1.071 519 M CA 2.675 57.707 55.300 -0.447 0.000 1.103 519 M CB -1.065 31.352 32.600 -0.306 0.000 1.307 519 M HN 0.316 nan 8.290 nan 0.000 0.409 520 T N -0.114 114.301 114.554 -0.231 0.000 2.720 520 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 520 T C 1.502 176.127 174.700 -0.124 0.000 1.037 520 T CA 1.793 63.807 62.100 -0.143 0.000 1.144 520 T CB -0.655 68.173 68.868 -0.067 0.000 0.864 520 T HN 0.552 nan 8.240 nan 0.000 0.444 521 D N 0.510 120.835 120.400 -0.125 0.000 2.144 521 D HA -0.061 4.579 4.640 -0.001 0.000 0.199 521 D C 2.050 178.340 176.300 -0.016 0.000 0.984 521 D CA 0.810 54.851 54.000 0.069 0.000 0.834 521 D CB -0.237 40.743 40.800 0.299 0.000 0.955 521 D HN 0.313 nan 8.370 nan 0.000 0.465 522 M N -0.487 118.844 119.600 -0.449 0.000 2.117 522 M HA -0.176 4.304 4.480 -0.001 0.000 0.262 522 M C 1.925 177.921 176.300 -0.508 0.000 1.065 522 M CA 1.414 56.173 55.300 -0.901 0.000 1.114 522 M CB -0.147 31.657 32.600 -1.327 0.000 1.361 522 M HN 0.182 nan 8.290 nan 0.000 0.408 523 C N -0.376 118.731 119.300 -0.322 0.000 2.425 523 C HA -0.089 4.370 4.460 -0.001 0.000 0.277 523 C C 2.660 177.552 174.990 -0.163 0.000 1.280 523 C CA 0.680 59.617 59.018 -0.137 0.000 1.744 523 C CB -1.073 26.646 27.740 -0.035 0.000 1.989 523 C HN 0.500 nan 8.230 nan 0.000 0.491 524 V N 0.532 120.381 119.914 -0.108 0.000 2.323 524 V HA -0.244 3.875 4.120 -0.001 0.000 0.244 524 V C 2.430 178.504 176.094 -0.034 0.000 1.041 524 V CA 2.139 64.412 62.300 -0.046 0.000 1.025 524 V CB -0.603 31.245 31.823 0.041 0.000 0.656 524 V HN 0.578 nan 8.190 nan 0.000 0.451 525 M N 0.597 120.215 119.600 0.029 0.000 2.156 525 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 525 M C 2.502 178.691 176.300 -0.185 0.000 1.067 525 M CA 2.171 57.565 55.300 0.158 0.000 1.131 525 M CB -0.184 32.692 32.600 0.461 0.000 1.368 525 M HN 0.553 nan 8.290 nan 0.000 0.416 526 S N 0.778 116.048 115.700 -0.717 0.000 2.383 526 S HA -0.123 4.346 4.470 -0.001 0.000 0.229 526 S C 1.976 176.194 174.600 -0.636 0.000 1.030 526 S CA 1.189 58.581 58.200 -1.347 0.000 1.002 526 S CB -0.972 61.297 63.200 -1.552 0.000 0.829 526 S HN 0.585 nan 8.310 nan 0.000 0.467 527 A N 1.755 124.300 122.820 -0.458 0.000 2.125 527 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 527 A C 2.127 179.588 177.584 -0.204 0.000 1.156 527 A CA 1.346 53.172 52.037 -0.352 0.000 0.671 527 A CB -0.526 18.291 19.000 -0.304 0.000 0.794 527 A HN 0.656 nan 8.150 nan 0.000 0.459 528 K N -0.693 119.629 120.400 -0.130 0.000 2.296 528 K HA 0.055 4.375 4.320 -0.001 0.000 0.200 528 K C 1.163 177.761 176.600 -0.003 0.000 1.048 528 K CA 0.712 56.970 56.287 -0.050 0.000 0.966 528 K CB 0.052 32.550 32.500 -0.004 0.000 0.754 528 K HN 0.391 nan 8.250 nan 0.000 0.466 529 I N -0.776 119.814 120.570 0.032 0.000 2.947 529 I HA 0.178 4.348 4.170 -0.001 0.000 0.263 529 I C 1.174 177.306 176.117 0.025 0.000 1.130 529 I CA 0.660 62.021 61.300 0.102 0.000 1.448 529 I CB -0.379 37.819 38.000 0.330 0.000 1.222 529 I HN 0.116 nan 8.210 nan 0.000 0.453 530 G N -0.822 107.940 108.800 -0.064 0.000 2.430 530 G HA2 0.497 4.457 3.960 -0.001 0.000 0.300 530 G HA3 0.497 4.457 3.960 -0.001 0.000 0.300 530 G C -0.745 173.994 174.900 -0.270 0.000 1.330 530 G CA -0.112 44.919 45.100 -0.115 0.000 0.813 530 G HN 0.332 nan 8.290 nan 0.000 0.487 531 G N -1.208 107.431 108.800 -0.269 0.000 2.562 531 G HA2 0.563 4.522 3.960 -0.001 0.000 0.275 531 G HA3 0.563 4.522 3.960 -0.001 0.000 0.275 531 G C -0.360 174.325 174.900 -0.358 0.000 1.196 531 G CA -0.550 44.286 45.100 -0.439 0.000 0.908 531 G HN 0.419 nan 8.290 nan 0.000 0.524 532 F N -0.842 119.017 119.950 -0.152 0.000 2.496 532 F HA 0.242 4.769 4.527 -0.001 0.000 0.344 532 F C 0.690 176.431 175.800 -0.098 0.000 1.155 532 F CA -0.728 57.178 58.000 -0.156 0.000 1.302 532 F CB 0.727 39.620 39.000 -0.179 0.000 1.159 532 F HN 0.202 nan 8.300 nan 0.000 0.595 533 L N 5.444 126.738 121.223 0.119 0.000 2.315 533 L HA 0.439 4.778 4.340 -0.001 0.000 0.283 533 L C -2.445 174.451 176.870 0.043 0.000 1.089 533 L CA -1.875 53.001 54.840 0.060 0.000 0.833 533 L CB 0.139 42.227 42.059 0.048 0.000 1.170 533 L HN 0.255 nan 8.230 nan 0.000 0.442 534 P HA 0.134 nan 4.420 nan 0.000 0.260 534 P C 0.712 178.022 177.300 0.017 0.000 1.172 534 P CA 1.216 64.330 63.100 0.023 0.000 0.760 534 P CB 0.536 32.249 31.700 0.021 0.000 0.773 535 G N 2.344 111.146 108.800 0.003 0.000 2.217 535 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.246 535 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.246 535 G C 0.398 175.309 174.900 0.017 0.000 0.990 535 G CA 0.177 45.285 45.100 0.013 0.000 0.627 535 G HN 0.523 nan 8.290 nan 0.000 0.522 536 S N 1.004 116.691 115.700 -0.022 0.000 2.474 536 S HA 0.538 5.007 4.470 -0.001 0.000 0.224 536 S C 0.486 174.944 174.600 -0.236 0.000 1.209 536 S CA -0.570 57.577 58.200 -0.087 0.000 1.212 536 S CB 0.353 63.501 63.200 -0.087 0.000 1.137 536 S HN 0.483 nan 8.310 nan 0.000 0.446 537 L N 2.602 123.686 121.223 -0.231 0.000 2.476 537 L HA 0.324 4.663 4.340 -0.001 0.000 0.264 537 L C -1.965 174.574 176.870 -0.552 0.000 1.224 537 L CA -1.967 52.618 54.840 -0.425 0.000 0.821 537 L CB -0.105 41.774 42.059 -0.299 0.000 1.101 537 L HN 0.106 nan 8.230 nan 0.000 0.488 538 P HA 0.072 nan 4.420 nan 0.000 0.271 538 P C -1.544 175.489 177.300 -0.444 0.000 1.216 538 P CA -0.110 62.572 63.100 -0.696 0.000 0.771 538 P CB 0.863 32.046 31.700 -0.861 0.000 0.864 539 Q N 1.541 121.112 119.800 -0.381 0.000 2.472 539 Q HA 0.440 4.779 4.340 -0.001 0.000 0.281 539 Q C -1.344 174.448 176.000 -0.348 0.000 0.997 539 Q CA -0.882 54.765 55.803 -0.260 0.000 0.828 539 Q CB 0.557 29.214 28.738 -0.136 0.000 1.443 539 Q HN 0.123 nan 8.270 nan 0.000 0.390 540 F N 1.473 121.320 119.950 -0.173 0.000 2.484 540 F HA 0.237 4.763 4.527 -0.001 0.000 0.360 540 F C 0.625 176.324 175.800 -0.168 0.000 1.101 540 F CA -0.153 57.739 58.000 -0.180 0.000 1.251 540 F CB 0.661 39.551 39.000 -0.183 0.000 1.132 540 F HN 0.364 nan 8.300 nan 0.000 0.570 541 M N 2.086 121.635 119.600 -0.084 0.000 2.342 541 M HA 0.164 4.643 4.480 -0.001 0.000 0.332 541 M C 0.146 176.391 176.300 -0.093 0.000 1.166 541 M CA -0.853 54.337 55.300 -0.184 0.000 1.086 541 M CB 0.988 33.343 32.600 -0.409 0.000 1.541 541 M HN 0.657 nan 8.290 nan 0.000 0.462 542 E N 2.011 122.146 120.200 -0.107 0.000 2.502 542 E HA 0.102 4.452 4.350 -0.001 0.000 0.261 542 E C -2.419 174.163 176.600 -0.031 0.000 0.974 542 E CA -1.360 55.012 56.400 -0.048 0.000 0.936 542 E CB -0.418 29.248 29.700 -0.057 0.000 0.926 542 E HN 0.257 nan 8.360 nan 0.000 0.459 543 P HA -0.018 nan 4.420 nan 0.000 0.262 543 P C 0.689 177.925 177.300 -0.107 0.000 1.182 543 P CA 1.571 64.703 63.100 0.054 0.000 0.761 543 P CB 0.633 32.377 31.700 0.074 0.000 0.795 544 G N 2.476 111.207 108.800 -0.115 0.000 2.199 544 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.254 544 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.254 544 G C 0.783 175.638 174.900 -0.074 0.000 0.982 544 G CA 0.187 45.182 45.100 -0.175 0.000 0.632 544 G HN 0.528 nan 8.290 nan 0.000 0.529 545 L N 0.899 122.083 121.223 -0.065 0.000 2.191 545 L HA 0.192 4.531 4.340 -0.001 0.000 0.212 545 L C 2.754 179.639 176.870 0.026 0.000 1.103 545 L CA 2.327 57.149 54.840 -0.031 0.000 0.769 545 L CB -0.255 41.724 42.059 -0.132 0.000 0.908 545 L HN 0.430 nan 8.230 nan 0.000 0.438 546 V N -0.367 119.539 119.914 -0.013 0.000 2.970 546 V HA -0.118 4.001 4.120 -0.001 0.000 0.260 546 V C 1.600 177.686 176.094 -0.012 0.000 1.100 546 V CA 0.897 63.189 62.300 -0.012 0.000 1.122 546 V CB -0.324 31.469 31.823 -0.049 0.000 0.721 546 V HN 0.492 nan 8.190 nan 0.000 0.483 547 L N 0.013 121.287 121.223 0.084 0.000 3.717 547 L HA -0.270 4.069 4.340 -0.001 0.000 0.414 547 L C 0.438 177.540 176.870 0.386 0.000 1.228 547 L CA 0.988 55.952 54.840 0.208 0.000 0.918 547 L CB -2.455 39.772 42.059 0.280 0.000 1.865 547 L HN 0.575 nan 8.230 nan 0.000 0.922 548 H N -0.919 118.287 119.070 0.227 0.000 2.475 548 H HA 0.274 4.829 4.556 -0.001 0.000 0.276 548 H C 0.643 176.131 175.328 0.267 0.000 1.126 548 H CA -1.139 55.080 56.048 0.285 0.000 1.023 548 H CB 0.624 30.601 29.762 0.358 0.000 1.669 548 H HN 0.199 nan 8.280 nan 0.000 0.573 549 L N 2.100 123.488 121.223 0.274 0.000 2.640 549 L HA 0.064 4.403 4.340 -0.001 0.000 0.280 549 L C 0.607 177.631 176.870 0.257 0.000 1.229 549 L CA 0.912 55.861 54.840 0.181 0.000 0.919 549 L CB 0.210 42.343 42.059 0.122 0.000 1.168 549 L HN 0.303 nan 8.230 nan 0.000 0.496 550 G N 2.039 110.997 108.800 0.263 0.000 2.798 550 G HA2 0.539 4.499 3.960 -0.001 0.000 0.286 550 G HA3 0.539 4.499 3.960 -0.001 0.000 0.286 550 G C 0.376 175.393 174.900 0.194 0.000 1.389 550 G CA -0.348 44.932 45.100 0.301 0.000 0.894 550 G HN 1.374 nan 8.290 nan 0.000 0.488 551 G N -1.313 107.574 108.800 0.145 0.000 2.175 551 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.265 551 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.265 551 G C 1.362 176.327 174.900 0.109 0.000 0.979 551 G CA 1.790 46.968 45.100 0.130 0.000 0.663 551 G HN 1.876 nan 8.290 nan 0.000 0.533 552 T N -2.154 112.422 114.554 0.038 0.000 2.995 552 T HA 0.088 4.438 4.350 -0.001 0.000 0.269 552 T C 1.087 175.868 174.700 0.135 0.000 1.091 552 T CA 1.793 63.955 62.100 0.103 0.000 1.128 552 T CB -0.283 68.659 68.868 0.123 0.000 0.891 552 T HN 1.360 nan 8.240 nan 0.000 0.492 553 H N 0.111 119.259 119.070 0.130 0.000 2.597 553 H HA 0.483 5.039 4.556 -0.001 0.000 0.225 553 H C -0.059 175.318 175.328 0.082 0.000 1.422 553 H CA -1.309 54.793 56.048 0.090 0.000 1.335 553 H CB -0.198 29.582 29.762 0.030 0.000 1.783 553 H HN 0.332 nan 8.280 nan 0.000 0.513 554 R N 0.921 121.506 120.500 0.142 0.000 2.594 554 R HA 0.239 4.578 4.340 -0.001 0.000 0.272 554 R C -0.398 175.965 176.300 0.105 0.000 1.074 554 R CA -0.623 55.535 56.100 0.097 0.000 1.105 554 R CB 0.911 31.262 30.300 0.085 0.000 1.008 554 R HN 0.462 nan 8.270 nan 0.000 0.472 555 M N 1.785 121.424 119.600 0.065 0.000 2.235 555 M HA 0.360 4.840 4.480 -0.001 0.000 0.351 555 M C -0.300 176.003 176.300 0.005 0.000 1.178 555 M CA 0.478 55.792 55.300 0.024 0.000 1.143 555 M CB 1.287 33.874 32.600 -0.022 0.000 1.530 555 M HN 0.978 nan 8.290 nan 0.000 0.461 556 G N 2.194 111.004 108.800 0.017 0.000 2.600 556 G HA2 0.406 4.365 3.960 -0.001 0.000 0.293 556 G HA3 0.406 4.365 3.960 -0.001 0.000 0.293 556 G C -0.787 174.106 174.900 -0.013 0.000 1.408 556 G CA -0.689 44.378 45.100 -0.055 0.000 0.782 556 G HN 0.652 nan 8.290 nan 0.000 0.482 557 F N 0.040 120.080 119.950 0.149 0.000 2.163 557 F HA 0.216 4.742 4.527 -0.001 0.000 0.297 557 F C 1.179 177.086 175.800 0.178 0.000 1.094 557 F CA 1.395 59.484 58.000 0.149 0.000 1.290 557 F CB 0.291 39.342 39.000 0.084 0.000 1.017 557 F HN 0.421 nan 8.300 nan 0.000 0.483 558 D N -1.328 119.215 120.400 0.239 0.000 2.780 558 D HA 0.140 4.780 4.640 -0.001 0.000 0.242 558 D C 0.652 176.797 176.300 -0.257 0.000 1.135 558 D CA -0.327 53.672 54.000 -0.001 0.000 0.859 558 D CB 1.434 42.249 40.800 0.027 0.000 1.530 558 D HN 0.060 nan 8.370 nan 0.000 0.493 559 E N 2.513 122.277 120.200 -0.725 0.000 2.023 559 E HA -0.224 4.126 4.350 -0.001 0.000 0.196 559 E C 1.001 177.422 176.600 -0.298 0.000 1.003 559 E CA 1.334 57.242 56.400 -0.820 0.000 0.809 559 E CB 0.282 29.358 29.700 -1.040 0.000 0.755 559 E HN 0.420 nan 8.360 nan 0.000 0.449 560 K N 0.131 120.408 120.400 -0.205 0.000 2.031 560 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 560 K C 2.230 178.793 176.600 -0.061 0.000 1.049 560 K CA 1.276 57.507 56.287 -0.095 0.000 0.939 560 K CB -0.122 32.340 32.500 -0.064 0.000 0.717 560 K HN 0.212 nan 8.250 nan 0.000 0.438 561 E N 0.887 121.053 120.200 -0.057 0.000 2.150 561 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 561 E C 0.606 177.199 176.600 -0.012 0.000 0.985 561 E CA 0.855 57.243 56.400 -0.020 0.000 0.814 561 E CB 0.143 29.841 29.700 -0.003 0.000 0.752 561 E HN 0.302 nan 8.360 nan 0.000 0.466 562 D N 0.328 120.715 120.400 -0.021 0.000 2.501 562 D HA 0.071 4.711 4.640 -0.001 0.000 0.226 562 D C -0.784 175.451 176.300 -0.109 0.000 1.198 562 D CA -0.110 53.874 54.000 -0.027 0.000 0.830 562 D CB 0.068 40.890 40.800 0.036 0.000 1.014 562 D HN 0.083 nan 8.370 nan 0.000 0.496 563 N N 1.042 119.671 118.700 -0.118 0.000 2.629 563 N HA -0.196 4.544 4.740 -0.001 0.000 0.278 563 N C -0.262 175.161 175.510 -0.144 0.000 1.102 563 N CA 0.515 53.469 53.050 -0.160 0.000 0.759 563 N CB -1.301 36.947 38.487 -0.398 0.000 0.911 563 N HN 0.452 nan 8.380 nan 0.000 0.553 564 C N -2.707 116.584 119.300 -0.014 0.000 3.291 564 C HA 0.725 5.184 4.460 -0.001 0.000 0.316 564 C C 1.252 176.389 174.990 0.246 0.000 1.391 564 C CA -0.754 58.325 59.018 0.101 0.000 1.394 564 C CB 1.470 29.288 27.740 0.131 0.000 1.744 564 C HN 0.536 nan 8.230 nan 0.000 0.461 565 C N 0.546 120.028 119.300 0.305 0.000 2.800 565 C HA 0.500 4.959 4.460 -0.001 0.000 0.379 565 C C 0.746 175.870 174.990 0.223 0.000 1.304 565 C CA 0.709 59.910 59.018 0.305 0.000 1.960 565 C CB -0.347 27.508 27.740 0.192 0.000 2.599 565 C HN 0.966 nan 8.230 nan 0.000 0.578 566 V N 0.867 120.806 119.914 0.040 0.000 3.040 566 V HA 0.709 4.829 4.120 -0.001 0.000 0.312 566 V C -0.861 174.910 176.094 -0.539 0.000 1.115 566 V CA -0.694 61.370 62.300 -0.394 0.000 0.998 566 V CB 1.623 33.327 31.823 -0.198 0.000 1.042 566 V HN 0.377 nan 8.190 nan 0.000 0.433 567 N N 0.250 118.472 118.700 -0.797 0.000 2.593 567 N HA 0.337 5.076 4.740 -0.001 0.000 0.304 567 N C 0.953 176.302 175.510 -0.269 0.000 1.296 567 N CA 0.175 52.956 53.050 -0.447 0.000 0.950 567 N CB 0.005 38.222 38.487 -0.450 0.000 1.127 567 N HN 0.911 nan 8.380 nan 0.000 0.587 568 T N -4.766 109.666 114.554 -0.203 0.000 3.113 568 T HA 0.085 4.435 4.350 -0.001 0.000 0.256 568 T C -0.021 174.579 174.700 -0.166 0.000 1.131 568 T CA 0.450 62.431 62.100 -0.198 0.000 1.074 568 T CB -0.361 68.392 68.868 -0.193 0.000 0.944 568 T HN 0.405 nan 8.240 nan 0.000 0.516 569 D N 1.047 121.334 120.400 -0.188 0.000 2.342 569 D HA 0.225 4.865 4.640 -0.001 0.000 0.221 569 D C 0.504 176.775 176.300 -0.049 0.000 1.101 569 D CA 0.022 53.930 54.000 -0.154 0.000 0.837 569 D CB 0.168 40.759 40.800 -0.348 0.000 0.938 569 D HN 0.291 nan 8.370 nan 0.000 0.508 570 S N 0.179 115.824 115.700 -0.092 0.000 3.490 570 S HA -0.245 4.224 4.470 -0.001 0.000 0.301 570 S C 0.527 175.072 174.600 -0.091 0.000 1.233 570 S CA 0.449 58.639 58.200 -0.017 0.000 0.914 570 S CB -1.192 62.095 63.200 0.145 0.000 1.047 570 S HN 0.463 nan 8.310 nan 0.000 0.602 571 R N 1.151 121.459 120.500 -0.319 0.000 2.312 571 R HA 0.495 4.835 4.340 -0.001 0.000 0.311 571 R C -0.120 175.843 176.300 -0.562 0.000 1.004 571 R CA -0.443 55.288 56.100 -0.616 0.000 0.902 571 R CB 0.779 30.658 30.300 -0.701 0.000 1.073 571 R HN 0.123 nan 8.270 nan 0.000 0.457 572 V N 6.295 125.919 119.914 -0.484 0.000 2.485 572 V HA 0.003 4.122 4.120 -0.001 0.000 0.287 572 V C 0.157 176.177 176.094 -0.123 0.000 1.022 572 V CA 0.265 62.375 62.300 -0.316 0.000 1.067 572 V CB -0.224 31.407 31.823 -0.320 0.000 0.967 572 V HN 0.571 nan 8.190 nan 0.000 0.479 573 F N 3.915 123.895 119.950 0.050 0.000 2.623 573 F HA 0.381 4.908 4.527 -0.001 0.000 0.383 573 F C 1.579 177.527 175.800 0.246 0.000 1.077 573 F CA 1.562 59.625 58.000 0.105 0.000 1.268 573 F CB -0.015 39.038 39.000 0.088 0.000 1.053 573 F HN 0.782 nan 8.300 nan 0.000 0.571 574 G N 1.961 110.963 108.800 0.337 0.000 2.241 574 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.244 574 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.244 574 G C -0.240 174.625 174.900 -0.058 0.000 0.998 574 G CA -0.437 44.761 45.100 0.163 0.000 0.621 574 G HN 0.453 nan 8.290 nan 0.000 0.519 575 F N 0.052 120.032 119.950 0.050 0.000 2.529 575 F HA 0.712 5.238 4.527 -0.001 0.000 0.320 575 F C 0.969 176.770 175.800 0.001 0.000 1.118 575 F CA -1.115 56.907 58.000 0.037 0.000 0.915 575 F CB 1.939 40.963 39.000 0.039 0.000 1.161 575 F HN -0.258 nan 8.300 nan 0.000 0.445 576 K N 1.433 121.957 120.400 0.207 0.000 2.155 576 K HA -0.019 4.301 4.320 -0.001 0.000 0.203 576 K C 0.890 177.723 176.600 0.387 0.000 1.052 576 K CA 0.963 57.398 56.287 0.246 0.000 0.948 576 K CB -0.160 32.487 32.500 0.246 0.000 0.728 576 K HN 0.657 nan 8.250 nan 0.000 0.448 577 N N -0.072 118.837 118.700 0.349 0.000 2.377 577 N HA 0.061 4.800 4.740 -0.001 0.000 0.259 577 N C -0.783 174.918 175.510 0.319 0.000 1.332 577 N CA -0.381 52.944 53.050 0.459 0.000 0.877 577 N CB -0.028 38.750 38.487 0.485 0.000 1.299 577 N HN -0.042 nan 8.380 nan 0.000 0.501 578 L N 0.312 121.487 121.223 -0.079 0.000 2.381 578 L HA 0.722 5.061 4.340 -0.001 0.000 0.274 578 L C -1.895 174.693 176.870 -0.470 0.000 0.988 578 L CA -0.644 54.137 54.840 -0.099 0.000 0.824 578 L CB 1.002 42.952 42.059 -0.183 0.000 1.263 578 L HN -0.055 nan 8.230 nan 0.000 0.410 579 F N 4.904 124.790 119.950 -0.107 0.000 2.563 579 F HA 0.684 5.211 4.527 -0.001 0.000 0.316 579 F C -0.586 175.077 175.800 -0.227 0.000 1.076 579 F CA -0.689 57.232 58.000 -0.132 0.000 0.921 579 F CB 1.933 40.895 39.000 -0.064 0.000 1.209 579 F HN 0.237 nan 8.300 nan 0.000 0.462 580 L N 1.956 123.152 121.223 -0.045 0.000 2.346 580 L HA 0.872 5.211 4.340 -0.001 0.000 0.276 580 L C 0.055 176.943 176.870 0.030 0.000 1.006 580 L CA -0.875 53.873 54.840 -0.154 0.000 0.817 580 L CB 1.836 43.655 42.059 -0.401 0.000 1.272 580 L HN 0.769 nan 8.230 nan 0.000 0.421 581 G N 0.494 109.302 108.800 0.014 0.000 2.495 581 G HA2 0.782 4.741 3.960 -0.001 0.000 0.318 581 G HA3 0.782 4.741 3.960 -0.001 0.000 0.318 581 G C -0.421 174.585 174.900 0.177 0.000 1.257 581 G CA -0.318 44.892 45.100 0.184 0.000 0.962 581 G HN 0.972 nan 8.290 nan 0.000 0.483 582 G N -0.875 108.031 108.800 0.178 0.000 2.347 582 G HA2 0.107 4.066 3.960 -0.001 0.000 0.477 582 G HA3 0.107 4.066 3.960 -0.001 0.000 0.477 582 G C 0.767 175.721 174.900 0.091 0.000 1.349 582 G CA 0.016 45.196 45.100 0.135 0.000 1.000 582 G HN 1.145 nan 8.290 nan 0.000 0.605 583 C N 0.433 119.765 119.300 0.053 0.000 2.410 583 C HA 0.143 4.602 4.460 -0.001 0.000 0.281 583 C C 3.113 178.089 174.990 -0.024 0.000 1.318 583 C CA 1.774 60.804 59.018 0.020 0.000 1.776 583 C CB -1.389 26.391 27.740 0.066 0.000 1.942 583 C HN 1.396 nan 8.230 nan 0.000 0.508 584 G N 1.330 110.035 108.800 -0.157 0.000 2.532 584 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.222 584 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.222 584 G C 1.419 175.969 174.900 -0.584 0.000 1.102 584 G CA 1.033 45.761 45.100 -0.621 0.000 0.742 584 G HN 0.601 nan 8.290 nan 0.000 0.577 585 N N 0.293 118.871 118.700 -0.204 0.000 2.300 585 N HA 0.027 4.766 4.740 -0.001 0.000 0.179 585 N C 0.984 176.513 175.510 0.031 0.000 1.016 585 N CA 0.142 53.198 53.050 0.010 0.000 0.876 585 N CB 0.055 38.602 38.487 0.099 0.000 0.979 585 N HN 0.309 nan 8.380 nan 0.000 0.432 586 I N 3.195 123.787 120.570 0.037 0.000 2.587 586 I HA 0.019 4.189 4.170 -0.001 0.000 0.284 586 I C -1.386 174.832 176.117 0.167 0.000 1.134 586 I CA -0.836 60.517 61.300 0.089 0.000 1.410 586 I CB 0.987 38.994 38.000 0.012 0.000 1.392 586 I HN -0.039 nan 8.210 nan 0.000 0.545 587 P HA 0.078 nan 4.420 nan 0.000 0.275 587 P C 0.168 177.557 177.300 0.148 0.000 1.310 587 P CA 0.153 63.328 63.100 0.125 0.000 0.904 587 P CB 0.298 32.034 31.700 0.060 0.000 1.381 588 T N -2.112 112.561 114.554 0.199 0.000 2.897 588 T HA 0.686 5.035 4.350 -0.001 0.000 0.278 588 T C 0.189 175.004 174.700 0.193 0.000 0.981 588 T CA -0.865 61.336 62.100 0.169 0.000 0.973 588 T CB 1.263 70.205 68.868 0.124 0.000 1.092 588 T HN 0.044 nan 8.240 nan 0.000 0.543 589 A N 1.844 124.715 122.820 0.084 0.000 2.310 589 A HA 0.595 4.915 4.320 -0.001 0.000 0.300 589 A C -0.621 176.917 177.584 -0.078 0.000 1.269 589 A CA -0.885 51.151 52.037 -0.002 0.000 0.909 589 A CB -0.907 18.111 19.000 0.029 0.000 1.144 589 A HN 0.846 nan 8.150 nan 0.000 0.540 590 Y N -0.047 120.160 120.300 -0.155 0.000 2.446 590 Y HA 0.714 5.264 4.550 -0.001 0.000 0.345 590 Y C 0.777 176.555 175.900 -0.203 0.000 0.984 590 Y CA -0.713 57.120 58.100 -0.446 0.000 1.058 590 Y CB 1.476 39.492 38.460 -0.741 0.000 1.220 590 Y HN 0.370 nan 8.280 nan 0.000 0.455 591 G N 1.014 109.728 108.800 -0.144 0.000 2.576 591 G HA2 0.345 4.305 3.960 -0.001 0.000 0.210 591 G HA3 0.345 4.305 3.960 -0.001 0.000 0.210 591 G C 0.560 175.571 174.900 0.186 0.000 1.143 591 G CA 0.175 45.389 45.100 0.189 0.000 0.819 591 G HN 0.965 nan 8.290 nan 0.000 0.534 592 A N 0.748 123.506 122.820 -0.103 0.000 2.429 592 A HA 0.429 4.748 4.320 -0.001 0.000 0.242 592 A C 0.021 177.583 177.584 -0.037 0.000 1.088 592 A CA -0.333 51.565 52.037 -0.233 0.000 0.784 592 A CB -0.017 18.878 19.000 -0.176 0.000 1.038 592 A HN 0.398 nan 8.150 nan 0.000 0.501 593 N N 1.494 120.044 118.700 -0.251 0.000 2.513 593 N HA 0.297 5.037 4.740 -0.001 0.000 0.268 593 N C -2.045 173.401 175.510 -0.106 0.000 1.180 593 N CA -0.977 51.896 53.050 -0.295 0.000 0.948 593 N CB 0.542 38.894 38.487 -0.225 0.000 1.083 593 N HN 0.433 nan 8.380 nan 0.000 0.455 594 P HA 0.053 nan 4.420 nan 0.000 0.267 594 P C 0.243 177.452 177.300 -0.151 0.000 1.289 594 P CA 0.409 63.432 63.100 -0.128 0.000 0.866 594 P CB 0.402 31.988 31.700 -0.190 0.000 1.309 595 T N 0.978 115.511 114.554 -0.035 0.000 2.777 595 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 595 T C 1.785 176.560 174.700 0.126 0.000 1.040 595 T CA 0.872 63.006 62.100 0.056 0.000 1.141 595 T CB -0.776 68.152 68.868 0.101 0.000 0.868 595 T HN 0.009 nan 8.240 nan 0.000 0.444 596 L N 1.183 122.505 121.223 0.164 0.000 2.042 596 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 596 L C 2.515 179.440 176.870 0.091 0.000 1.076 596 L CA 1.782 56.755 54.840 0.222 0.000 0.749 596 L CB -1.082 41.097 42.059 0.201 0.000 0.893 596 L HN 0.187 nan 8.230 nan 0.000 0.432 597 T N -0.397 114.091 114.554 -0.110 0.000 2.708 597 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 597 T C 1.914 176.529 174.700 -0.142 0.000 1.037 597 T CA 1.295 63.246 62.100 -0.248 0.000 1.146 597 T CB -0.528 67.805 68.868 -0.891 0.000 0.865 597 T HN 0.530 nan 8.240 nan 0.000 0.435 598 A N 1.610 124.352 122.820 -0.129 0.000 1.908 598 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 598 A C 2.320 179.870 177.584 -0.057 0.000 1.181 598 A CA 2.043 54.044 52.037 -0.060 0.000 0.627 598 A CB -0.761 18.221 19.000 -0.030 0.000 0.818 598 A HN 0.552 nan 8.150 nan 0.000 0.445 599 M N -0.425 119.142 119.600 -0.055 0.000 2.175 599 M HA -0.125 4.354 4.480 -0.001 0.000 0.264 599 M C 2.105 178.297 176.300 -0.179 0.000 1.063 599 M CA 2.054 57.290 55.300 -0.106 0.000 1.119 599 M CB -0.160 32.370 32.600 -0.117 0.000 1.377 599 M HN 0.365 nan 8.290 nan 0.000 0.415 600 S N 1.273 116.863 115.700 -0.185 0.000 2.370 600 S HA -0.130 4.340 4.470 -0.001 0.000 0.226 600 S C 1.753 176.144 174.600 -0.349 0.000 1.033 600 S CA 1.467 59.484 58.200 -0.305 0.000 1.011 600 S CB -0.549 62.397 63.200 -0.423 0.000 0.852 600 S HN 0.536 nan 8.310 nan 0.000 0.457 601 L N 0.972 122.034 121.223 -0.268 0.000 2.141 601 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 601 L C 2.715 179.451 176.870 -0.223 0.000 1.094 601 L CA 0.976 55.664 54.840 -0.252 0.000 0.763 601 L CB -0.679 41.306 42.059 -0.124 0.000 0.908 601 L HN 0.319 nan 8.230 nan 0.000 0.437 602 A N 0.549 123.237 122.820 -0.219 0.000 1.898 602 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 602 A C 2.219 179.487 177.584 -0.526 0.000 1.181 602 A CA 1.248 53.066 52.037 -0.365 0.000 0.620 602 A CB -0.550 18.261 19.000 -0.314 0.000 0.819 602 A HN 0.312 nan 8.150 nan 0.000 0.442 603 I N -0.292 120.046 120.570 -0.387 0.000 2.151 603 I HA -0.337 3.832 4.170 -0.001 0.000 0.243 603 I C 2.602 178.542 176.117 -0.296 0.000 1.080 603 I CA 2.109 63.208 61.300 -0.335 0.000 1.339 603 I CB -0.305 37.496 38.000 -0.332 0.000 1.039 603 I HN 0.404 nan 8.210 nan 0.000 0.409 604 K N 0.534 120.760 120.400 -0.290 0.000 2.026 604 K HA -0.219 4.100 4.320 -0.001 0.000 0.208 604 K C 2.376 178.884 176.600 -0.153 0.000 1.048 604 K CA 1.853 58.002 56.287 -0.231 0.000 0.929 604 K CB -0.135 32.198 32.500 -0.278 0.000 0.713 604 K HN 0.139 nan 8.250 nan 0.000 0.439 605 S N 0.338 115.935 115.700 -0.173 0.000 2.359 605 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 605 S C 2.105 176.625 174.600 -0.134 0.000 1.039 605 S CA 1.727 59.876 58.200 -0.085 0.000 1.042 605 S CB -0.568 62.592 63.200 -0.068 0.000 0.915 605 S HN 0.589 nan 8.310 nan 0.000 0.439 606 C N 1.567 120.656 119.300 -0.352 0.000 2.411 606 C HA -0.026 4.433 4.460 -0.001 0.000 0.279 606 C C 2.435 177.329 174.990 -0.161 0.000 1.288 606 C CA 0.741 59.572 59.018 -0.312 0.000 1.764 606 C CB -1.632 25.881 27.740 -0.378 0.000 1.974 606 C HN 0.681 nan 8.230 nan 0.000 0.498 607 E N -0.557 119.576 120.200 -0.112 0.000 2.153 607 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 607 E C 1.783 178.401 176.600 0.031 0.000 0.988 607 E CA 1.274 57.646 56.400 -0.048 0.000 0.811 607 E CB -0.273 29.393 29.700 -0.056 0.000 0.746 607 E HN 0.863 nan 8.360 nan 0.000 0.466 608 Y N 1.337 121.613 120.300 -0.040 0.000 2.163 608 Y HA -0.188 4.362 4.550 -0.001 0.000 0.288 608 Y C 1.987 177.941 175.900 0.091 0.000 1.136 608 Y CA 1.347 59.475 58.100 0.047 0.000 1.147 608 Y CB -0.075 38.462 38.460 0.129 0.000 0.987 608 Y HN -0.095 nan 8.280 nan 0.000 0.509 609 I N 0.809 121.453 120.570 0.122 0.000 2.113 609 I HA -0.429 3.740 4.170 -0.001 0.000 0.242 609 I C 2.259 178.401 176.117 0.041 0.000 1.064 609 I CA 2.096 63.422 61.300 0.044 0.000 1.320 609 I CB -0.491 37.339 38.000 -0.282 0.000 1.028 609 I HN 0.219 nan 8.210 nan 0.000 0.406 610 K N 0.152 120.533 120.400 -0.032 0.000 2.209 610 K HA -0.174 4.145 4.320 -0.001 0.000 0.204 610 K C 1.979 178.610 176.600 0.051 0.000 1.048 610 K CA 0.918 57.252 56.287 0.078 0.000 0.940 610 K CB -0.179 32.360 32.500 0.065 0.000 0.729 610 K HN 0.439 nan 8.250 nan 0.000 0.451 611 Q N 0.089 119.856 119.800 -0.056 0.000 2.451 611 Q HA 0.025 4.364 4.340 -0.001 0.000 0.206 611 Q C 0.803 176.695 176.000 -0.181 0.000 0.947 611 Q CA 0.670 56.412 55.803 -0.101 0.000 0.937 611 Q CB 0.377 29.038 28.738 -0.128 0.000 1.025 611 Q HN 0.342 nan 8.270 nan 0.000 0.511 612 N N -1.345 117.215 118.700 -0.235 0.000 2.113 612 N HA 0.138 4.878 4.740 -0.001 0.000 0.223 612 N C -0.877 174.263 175.510 -0.616 0.000 1.310 612 N CA 0.194 52.951 53.050 -0.487 0.000 0.896 612 N CB 1.046 39.018 38.487 -0.858 0.000 1.097 612 N HN -0.030 nan 8.380 nan 0.000 0.507 613 F N 0.148 120.104 119.950 0.011 0.000 2.613 613 F HA 0.403 4.930 4.527 -0.001 0.000 0.310 613 F C -0.064 175.863 175.800 0.211 0.000 1.085 613 F CA -0.628 57.441 58.000 0.115 0.000 0.945 613 F CB 1.986 41.069 39.000 0.139 0.000 1.298 613 F HN -0.404 nan 8.300 nan 0.000 0.455 614 T N 3.050 117.800 114.554 0.326 0.000 2.786 614 T HA 0.459 4.809 4.350 -0.001 0.000 0.283 614 T C -2.628 172.046 174.700 -0.044 0.000 0.992 614 T CA -1.470 60.687 62.100 0.094 0.000 0.954 614 T CB 1.513 70.403 68.868 0.037 0.000 0.934 614 T HN 0.121 nan 8.240 nan 0.000 0.440 615 P HA 0.135 nan 4.420 nan 0.000 0.269 615 P C -0.113 177.109 177.300 -0.131 0.000 1.211 615 P CA -0.418 62.430 63.100 -0.419 0.000 0.781 615 P CB 0.335 31.642 31.700 -0.656 0.000 0.877 616 S N 1.183 116.852 115.700 -0.052 0.000 2.632 616 S HA 0.515 4.985 4.470 -0.001 0.000 0.267 616 S C -2.224 172.369 174.600 -0.011 0.000 1.276 616 S CA -1.178 57.011 58.200 -0.019 0.000 0.998 616 S CB -0.522 62.673 63.200 -0.009 0.000 0.953 616 S HN 0.306 nan 8.310 nan 0.000 0.547 617 P HA 0.177 nan 4.420 nan 0.000 0.272 617 P C -0.731 176.614 177.300 0.074 0.000 1.223 617 P CA -0.489 62.635 63.100 0.040 0.000 0.784 617 P CB 0.116 31.834 31.700 0.030 0.000 0.923 618 F N 1.938 121.868 119.950 -0.034 0.000 2.533 618 F HA 0.073 4.599 4.527 -0.001 0.000 0.378 618 F C 0.718 176.505 175.800 -0.021 0.000 1.070 618 F CA 0.644 58.629 58.000 -0.024 0.000 1.172 618 F CB 0.195 39.183 39.000 -0.021 0.000 1.085 618 F HN 0.185 nan 8.300 nan 0.000 0.552 619 T N 0.000 114.352 114.554 -0.337 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.971 62.100 -0.215 0.000 1.349 619 T CB 0.000 68.761 68.868 -0.178 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658