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 1e9s_1_G DATA FIRST_RESID 72 DATA SEQUENCE NSVGQGEFGG APFKRFLRGT RIVSGGKLKR MTREKAKQVT VAGVPMPRDA DATA SEQUENCE EPRHLLVNGA TGTGKSVLLR ELAYTGLLRG DRMVIVDPNG DMLSKFGRDK DATA SEQUENCE DIILNPYDQR TKGWSFFNEI RNDYDWQRYA LSVVPRGKTD EAEEWASYGR DATA SEQUENCE LLLRETAKKL ALIGTPSMRE LFHWTTIATF DDLRGFLEGT LAESLFAGSN DATA SEQUENCE EASKALTSAR FVLSDKLPEH VTMPDGDFSI RSWLEDPNGG NLFITWREDM DATA SEQUENCE GPALRPLISA WVDVVCTSIL SLPEEPKRRL WLFIDELASL EKLASLADAL DATA SEQUENCE TKGRKAGLRV VAGLQSTSQL DDVYGVKEAQ TLRASFRSLV VLGGSRTDPK DATA SEQUENCE TNEDMSLSLG EHEVERDRYS KNXXXXXXXX RALERVRERV VMPAEIANLP DATA SEQUENCE DLTAYVGFAG NRPIAKVPLE IKQFANRQPA FVEGT 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 72 N HA 0.000 nan 4.740 nan 0.000 0.220 72 N C 0.000 175.512 175.510 0.003 0.000 1.280 72 N CA 0.000 53.098 53.050 0.080 0.000 0.885 72 N CB 0.000 38.572 38.487 0.142 0.000 1.341 73 S N -0.291 115.390 115.700 -0.033 0.000 2.573 73 S HA 0.315 4.785 4.470 -0.000 0.000 0.244 73 S C 0.448 174.961 174.600 -0.144 0.000 0.984 73 S CA -0.254 57.909 58.200 -0.061 0.000 1.001 73 S CB 0.672 63.858 63.200 -0.023 0.000 0.788 73 S HN 0.196 nan 8.310 nan 0.000 0.456 74 V N -0.433 119.290 119.914 -0.317 0.000 3.007 74 V HA 0.820 4.939 4.120 -0.000 0.000 0.311 74 V C 0.754 176.374 176.094 -0.790 0.000 1.120 74 V CA -0.576 61.410 62.300 -0.522 0.000 0.980 74 V CB 1.280 32.726 31.823 -0.627 0.000 1.033 74 V HN 0.321 nan 8.190 nan 0.000 0.429 75 G N 2.335 110.860 108.800 -0.459 0.000 2.204 75 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 75 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 75 G C -0.323 174.628 174.900 0.086 0.000 1.062 75 G CA 0.120 45.181 45.100 -0.066 0.000 0.798 75 G HN 0.727 nan 8.290 nan 0.000 0.496 76 Q N -1.079 118.730 119.800 0.015 0.000 2.325 76 Q HA 0.566 4.906 4.340 -0.000 0.000 0.270 76 Q C 0.924 176.946 176.000 0.036 0.000 1.020 76 Q CA 0.008 55.826 55.803 0.025 0.000 0.785 76 Q CB 1.878 30.611 28.738 -0.009 0.000 1.259 76 Q HN 1.501 nan 8.270 nan 0.000 0.452 77 G N 2.041 110.869 108.800 0.046 0.000 2.147 77 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 77 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 77 G C 0.198 175.139 174.900 0.069 0.000 1.005 77 G CA 0.816 45.941 45.100 0.042 0.000 0.713 77 G HN 0.672 nan 8.290 nan 0.000 0.515 78 E N -2.159 118.112 120.200 0.117 0.000 3.935 78 E HA 0.268 4.618 4.350 -0.000 0.000 0.244 78 E C 0.069 176.839 176.600 0.283 0.000 1.295 78 E CA -0.699 55.806 56.400 0.174 0.000 1.728 78 E CB 0.359 30.162 29.700 0.171 0.000 1.750 78 E HN 0.280 nan 8.360 nan 0.000 0.721 79 F N 2.513 122.555 119.950 0.154 0.000 2.427 79 F HA 0.435 4.962 4.527 -0.000 0.000 0.352 79 F C 1.190 177.087 175.800 0.162 0.000 1.100 79 F CA -0.170 57.956 58.000 0.211 0.000 1.191 79 F CB 1.469 40.684 39.000 0.358 0.000 1.128 79 F HN 0.150 nan 8.300 nan 0.000 0.533 80 G N 3.920 112.499 108.800 -0.369 0.000 2.623 80 G HA2 0.181 4.141 3.960 -0.000 0.000 0.214 80 G HA3 0.181 4.141 3.960 -0.000 0.000 0.214 80 G C 0.759 175.274 174.900 -0.641 0.000 1.138 80 G CA 0.410 45.285 45.100 -0.375 0.000 0.794 80 G HN 0.972 nan 8.290 nan 0.000 0.535 81 G N -0.146 107.722 108.800 -1.552 0.000 2.509 81 G HA2 0.521 4.481 3.960 -0.000 0.000 0.269 81 G HA3 0.521 4.481 3.960 -0.000 0.000 0.269 81 G C 0.254 174.965 174.900 -0.315 0.000 1.416 81 G CA 0.036 44.597 45.100 -0.899 0.000 1.052 81 G HN 0.498 nan 8.290 nan 0.000 0.542 82 A N 0.173 123.047 122.820 0.090 0.000 2.462 82 A HA 0.540 4.860 4.320 -0.000 0.000 0.243 82 A C -2.039 175.794 177.584 0.416 0.000 1.076 82 A CA -0.634 51.532 52.037 0.215 0.000 0.773 82 A CB -0.154 18.974 19.000 0.214 0.000 1.010 82 A HN 0.397 nan 8.150 nan 0.000 0.493 83 P HA 0.403 nan 4.420 nan 0.000 0.270 83 P C -0.696 176.734 177.300 0.217 0.000 1.223 83 P CA 0.252 63.445 63.100 0.154 0.000 0.785 83 P CB 0.309 32.031 31.700 0.037 0.000 0.923 84 F N -1.281 118.760 119.950 0.152 0.000 2.629 84 F HA 0.625 5.152 4.527 -0.000 0.000 0.316 84 F C 1.204 177.042 175.800 0.063 0.000 1.081 84 F CA -1.207 56.846 58.000 0.089 0.000 0.954 84 F CB 1.186 40.208 39.000 0.037 0.000 1.337 84 F HN 0.135 nan 8.300 nan 0.000 0.474 85 K N 0.317 120.869 120.400 0.254 0.000 2.021 85 K HA 0.162 4.482 4.320 -0.000 0.000 0.205 85 K C 0.183 176.906 176.600 0.204 0.000 1.047 85 K CA 0.842 57.219 56.287 0.150 0.000 0.943 85 K CB 0.209 32.769 32.500 0.100 0.000 0.725 85 K HN 0.752 nan 8.250 nan 0.000 0.439 86 R N -0.100 120.576 120.500 0.293 0.000 2.673 86 R HA 0.182 4.522 4.340 -0.000 0.000 0.281 86 R C -1.851 174.595 176.300 0.244 0.000 0.991 86 R CA -0.694 55.561 56.100 0.259 0.000 0.896 86 R CB 1.188 31.555 30.300 0.112 0.000 1.201 86 R HN 0.050 nan 8.270 nan 0.000 0.457 87 F N 5.435 125.442 119.950 0.095 0.000 2.405 87 F HA 0.296 4.822 4.527 -0.000 0.000 0.355 87 F C 0.008 175.736 175.800 -0.121 0.000 1.121 87 F CA -0.460 57.454 58.000 -0.144 0.000 1.112 87 F CB 0.841 39.824 39.000 -0.027 0.000 1.126 87 F HN 0.530 nan 8.300 nan 0.000 0.481 88 L N 4.872 125.691 121.223 -0.674 0.000 2.116 88 L HA 0.255 4.595 4.340 -0.000 0.000 0.200 88 L C 0.466 177.026 176.870 -0.515 0.000 1.084 88 L CA 0.390 54.963 54.840 -0.445 0.000 0.766 88 L CB -0.226 41.617 42.059 -0.361 0.000 0.930 88 L HN 0.651 nan 8.230 nan 0.000 0.453 89 R N -1.601 118.364 120.500 -0.891 0.000 2.733 89 R HA 0.656 4.996 4.340 -0.000 0.000 0.272 89 R C -0.519 175.513 176.300 -0.447 0.000 1.029 89 R CA -0.314 55.509 56.100 -0.461 0.000 0.888 89 R CB 1.128 31.313 30.300 -0.191 0.000 1.251 89 R HN 0.119 nan 8.270 nan 0.000 0.464 90 G N 0.181 108.987 108.800 0.010 0.000 2.416 90 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.203 90 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.203 90 G C -1.064 174.025 174.900 0.315 0.000 1.227 90 G CA -0.380 44.786 45.100 0.111 0.000 1.041 90 G HN 0.702 nan 8.290 nan 0.000 0.546 91 T N 1.987 116.695 114.554 0.257 0.000 2.832 91 T HA 0.571 4.921 4.350 -0.000 0.000 0.296 91 T C 0.699 175.563 174.700 0.273 0.000 0.968 91 T CA 0.039 62.265 62.100 0.209 0.000 1.107 91 T CB 0.685 69.612 68.868 0.098 0.000 0.916 91 T HN 0.605 nan 8.240 nan 0.000 0.517 92 R N 2.255 122.802 120.500 0.078 0.000 2.428 92 R HA 0.655 4.995 4.340 -0.000 0.000 0.294 92 R C -0.444 175.864 176.300 0.015 0.000 1.000 92 R CA -0.646 55.374 56.100 -0.133 0.000 0.960 92 R CB 1.309 31.424 30.300 -0.308 0.000 1.076 92 R HN 0.571 nan 8.270 nan 0.000 0.475 93 I N 2.705 123.311 120.570 0.060 0.000 2.436 93 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 93 I C -1.053 175.134 176.117 0.116 0.000 1.010 93 I CA -0.851 60.530 61.300 0.134 0.000 1.098 93 I CB 1.499 39.640 38.000 0.236 0.000 1.266 93 I HN 0.305 nan 8.210 nan 0.000 0.434 94 V N 4.875 124.849 119.914 0.100 0.000 3.158 94 V HA 0.535 4.654 4.120 -0.000 0.000 0.315 94 V C -0.017 176.128 176.094 0.086 0.000 1.148 94 V CA -0.613 61.732 62.300 0.076 0.000 1.042 94 V CB 2.272 34.124 31.823 0.049 0.000 1.101 94 V HN 0.832 nan 8.190 nan 0.000 0.448 95 S N 0.445 116.183 115.700 0.063 0.000 2.592 95 S HA 0.336 4.806 4.470 -0.000 0.000 0.271 95 S C 1.319 175.947 174.600 0.048 0.000 1.326 95 S CA 0.103 58.334 58.200 0.052 0.000 1.024 95 S CB 1.164 64.387 63.200 0.038 0.000 0.921 95 S HN 1.173 nan 8.310 nan 0.000 0.527 96 G N 1.429 110.249 108.800 0.034 0.000 2.469 96 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 96 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 96 G C 1.331 176.259 174.900 0.046 0.000 1.150 96 G CA 0.676 45.798 45.100 0.036 0.000 0.763 96 G HN 0.995 nan 8.290 nan 0.000 0.561 97 G N 0.427 109.248 108.800 0.036 0.000 2.418 97 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 97 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 97 G C 1.699 176.622 174.900 0.038 0.000 1.158 97 G CA 1.307 46.428 45.100 0.035 0.000 0.771 97 G HN 0.545 nan 8.290 nan 0.000 0.545 98 K N -0.283 120.140 120.400 0.037 0.000 2.148 98 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 98 K C 2.373 179.002 176.600 0.047 0.000 1.050 98 K CA 0.828 57.136 56.287 0.036 0.000 0.942 98 K CB -0.191 32.327 32.500 0.030 0.000 0.724 98 K HN 0.270 nan 8.250 nan 0.000 0.446 99 L N 1.628 122.890 121.223 0.065 0.000 2.056 99 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 99 L C 1.718 178.646 176.870 0.096 0.000 1.078 99 L CA 1.739 56.635 54.840 0.093 0.000 0.749 99 L CB -0.183 41.951 42.059 0.125 0.000 0.901 99 L HN 0.029 nan 8.230 nan 0.000 0.433 100 K N -0.670 119.782 120.400 0.086 0.000 2.209 100 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 100 K C 2.097 178.727 176.600 0.049 0.000 1.048 100 K CA 1.463 57.797 56.287 0.077 0.000 0.940 100 K CB -0.135 32.405 32.500 0.068 0.000 0.729 100 K HN 0.390 nan 8.250 nan 0.000 0.451 101 R N 0.137 120.662 120.500 0.041 0.000 2.093 101 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 101 R C 2.240 178.552 176.300 0.020 0.000 1.101 101 R CA 1.030 57.146 56.100 0.027 0.000 0.979 101 R CB -0.102 30.212 30.300 0.023 0.000 0.877 101 R HN 0.156 nan 8.270 nan 0.000 0.441 102 M N 0.143 119.760 119.600 0.027 0.000 2.200 102 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 102 M C 2.070 178.372 176.300 0.003 0.000 1.066 102 M CA 1.752 57.063 55.300 0.019 0.000 1.127 102 M CB -0.184 32.435 32.600 0.032 0.000 1.379 102 M HN 0.201 nan 8.290 nan 0.000 0.420 103 T N -2.180 112.376 114.554 0.002 0.000 3.067 103 T HA 0.087 4.436 4.350 -0.000 0.000 0.257 103 T C 0.985 175.652 174.700 -0.056 0.000 1.105 103 T CA -0.245 61.822 62.100 -0.056 0.000 1.104 103 T CB -0.088 68.716 68.868 -0.107 0.000 0.925 103 T HN 0.235 nan 8.240 nan 0.000 0.498 104 R N 1.418 121.907 120.500 -0.018 0.000 2.585 104 R HA 0.206 4.545 4.340 -0.000 0.000 0.275 104 R C -0.336 175.952 176.300 -0.021 0.000 1.018 104 R CA 0.469 56.562 56.100 -0.013 0.000 1.072 104 R CB 0.296 30.599 30.300 0.004 0.000 0.953 104 R HN 0.478 nan 8.270 nan 0.000 0.419 105 E N 1.685 121.872 120.200 -0.022 0.000 2.392 105 E HA 0.130 4.480 4.350 -0.000 0.000 0.269 105 E C -0.059 176.533 176.600 -0.012 0.000 0.924 105 E CA -0.725 55.661 56.400 -0.022 0.000 0.784 105 E CB 1.865 31.544 29.700 -0.035 0.000 1.292 105 E HN 0.485 nan 8.360 nan 0.000 0.447 106 K N 0.910 121.303 120.400 -0.011 0.000 1.978 106 K HA -0.048 4.272 4.320 -0.000 0.000 0.214 106 K C 0.592 177.189 176.600 -0.005 0.000 1.049 106 K CA 1.349 57.632 56.287 -0.007 0.000 0.939 106 K CB -0.246 32.249 32.500 -0.007 0.000 0.721 106 K HN 0.522 nan 8.250 nan 0.000 0.441 107 A N 1.774 124.589 122.820 -0.008 0.000 2.475 107 A HA -0.005 4.315 4.320 -0.000 0.000 0.239 107 A C -0.579 177.004 177.584 -0.001 0.000 1.087 107 A CA 0.208 52.242 52.037 -0.005 0.000 0.779 107 A CB 0.061 19.056 19.000 -0.008 0.000 1.036 107 A HN 0.352 nan 8.150 nan 0.000 0.506 108 K N 1.347 121.749 120.400 0.004 0.000 2.383 108 K HA 0.165 4.485 4.320 -0.000 0.000 0.286 108 K C 0.020 176.629 176.600 0.015 0.000 1.051 108 K CA 0.361 56.653 56.287 0.007 0.000 0.974 108 K CB 0.396 32.901 32.500 0.008 0.000 0.968 108 K HN 0.702 nan 8.250 nan 0.000 0.475 109 Q N 0.965 120.772 119.800 0.013 0.000 2.385 109 Q HA 0.517 4.857 4.340 -0.000 0.000 0.262 109 Q C -0.567 175.453 176.000 0.033 0.000 1.050 109 Q CA -1.049 54.769 55.803 0.024 0.000 0.903 109 Q CB 2.004 30.745 28.738 0.005 0.000 1.325 109 Q HN 0.275 nan 8.270 nan 0.000 0.485 110 V N 0.358 120.309 119.914 0.062 0.000 2.881 110 V HA 0.549 4.669 4.120 -0.000 0.000 0.316 110 V C -0.378 175.759 176.094 0.072 0.000 1.070 110 V CA -0.528 61.803 62.300 0.052 0.000 0.976 110 V CB 2.098 33.983 31.823 0.103 0.000 1.038 110 V HN 0.984 nan 8.190 nan 0.000 0.446 111 T N 0.162 114.759 114.554 0.072 0.000 2.863 111 T HA 0.765 5.115 4.350 -0.000 0.000 0.285 111 T C -1.008 173.784 174.700 0.154 0.000 1.009 111 T CA -0.684 61.490 62.100 0.124 0.000 0.989 111 T CB 1.642 70.581 68.868 0.118 0.000 1.004 111 T HN 0.317 nan 8.240 nan 0.000 0.455 112 V N 2.615 122.662 119.914 0.223 0.000 2.350 112 V HA 0.661 4.781 4.120 -0.000 0.000 0.285 112 V C 0.822 177.004 176.094 0.146 0.000 1.014 112 V CA -0.198 62.223 62.300 0.201 0.000 0.831 112 V CB 0.203 32.198 31.823 0.287 0.000 1.000 112 V HN 1.616 nan 8.190 nan 0.000 0.433 113 A N 4.181 127.062 122.820 0.102 0.000 2.822 113 A HA 0.003 4.323 4.320 -0.000 0.000 0.287 113 A C 1.850 179.484 177.584 0.084 0.000 1.479 113 A CA 1.409 53.489 52.037 0.072 0.000 0.779 113 A CB -1.529 17.489 19.000 0.031 0.000 1.022 113 A HN 2.552 nan 8.150 nan 0.000 0.532 114 G N -3.576 105.289 108.800 0.107 0.000 2.320 114 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.242 114 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.242 114 G C 0.544 175.514 174.900 0.118 0.000 1.033 114 G CA 0.417 45.578 45.100 0.102 0.000 0.620 114 G HN 1.869 nan 8.290 nan 0.000 0.517 115 V N 4.298 124.304 119.914 0.154 0.000 2.488 115 V HA 0.415 4.535 4.120 -0.000 0.000 0.277 115 V C -1.269 174.958 176.094 0.222 0.000 1.046 115 V CA -1.018 61.406 62.300 0.207 0.000 0.986 115 V CB 1.259 33.270 31.823 0.312 0.000 0.989 115 V HN 0.322 nan 8.190 nan 0.000 0.475 116 P HA 0.084 nan 4.420 nan 0.000 0.271 116 P C -0.393 176.855 177.300 -0.085 0.000 1.233 116 P CA -0.231 62.895 63.100 0.044 0.000 0.764 116 P CB 0.689 32.397 31.700 0.014 0.000 0.825 117 M N 6.503 126.048 119.600 -0.092 0.000 2.188 117 M HA 0.278 4.758 4.480 -0.000 0.000 0.354 117 M C -2.323 173.763 176.300 -0.357 0.000 1.342 117 M CA -2.085 52.987 55.300 -0.379 0.000 1.117 117 M CB 0.538 33.140 32.600 0.003 0.000 1.670 117 M HN 0.107 nan 8.290 nan 0.000 0.466 118 P HA -0.002 nan 4.420 nan 0.000 0.262 118 P C -0.042 177.156 177.300 -0.169 0.000 1.182 118 P CA 0.002 62.925 63.100 -0.295 0.000 0.761 118 P CB 0.430 31.944 31.700 -0.310 0.000 0.795 119 R N 3.428 123.865 120.500 -0.104 0.000 2.103 119 R HA -0.174 4.165 4.340 -0.000 0.000 0.242 119 R C 1.460 177.712 176.300 -0.080 0.000 1.142 119 R CA 2.041 58.100 56.100 -0.067 0.000 0.960 119 R CB -0.886 29.383 30.300 -0.050 0.000 0.858 119 R HN 0.671 nan 8.270 nan 0.000 0.439 120 D N -0.451 119.898 120.400 -0.084 0.000 2.269 120 D HA -0.088 4.551 4.640 -0.000 0.000 0.208 120 D C 1.454 177.700 176.300 -0.091 0.000 0.963 120 D CA 1.030 54.981 54.000 -0.082 0.000 0.864 120 D CB -0.068 40.692 40.800 -0.065 0.000 0.936 120 D HN 0.152 nan 8.370 nan 0.000 0.505 121 A N 1.111 123.879 122.820 -0.086 0.000 2.016 121 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 121 A C 2.118 179.662 177.584 -0.067 0.000 1.162 121 A CA 0.689 52.695 52.037 -0.050 0.000 0.662 121 A CB -0.379 18.614 19.000 -0.012 0.000 0.812 121 A HN 0.167 nan 8.150 nan 0.000 0.450 122 E N 0.049 120.196 120.200 -0.088 0.000 2.048 122 E HA -0.181 4.168 4.350 -0.000 0.000 0.202 122 E C -0.737 175.664 176.600 -0.332 0.000 1.021 122 E CA 1.667 57.975 56.400 -0.152 0.000 0.825 122 E CB -0.899 28.700 29.700 -0.168 0.000 0.756 122 E HN 0.545 nan 8.360 nan 0.000 0.454 123 P HA -0.068 nan 4.420 nan 0.000 0.242 123 P C 0.316 177.192 177.300 -0.707 0.000 1.197 123 P CA 0.885 63.712 63.100 -0.455 0.000 0.765 123 P CB 0.094 31.616 31.700 -0.296 0.000 0.936 124 R N -0.990 119.175 120.500 -0.557 0.000 2.393 124 R HA 0.113 4.452 4.340 -0.000 0.000 0.244 124 R C -0.105 175.931 176.300 -0.440 0.000 0.920 124 R CA -0.273 55.523 56.100 -0.507 0.000 1.076 124 R CB -0.229 29.959 30.300 -0.187 0.000 1.119 124 R HN 0.330 nan 8.270 nan 0.000 0.524 125 H N -0.711 118.336 119.070 -0.038 0.000 4.618 125 H HA -0.187 4.369 4.556 -0.000 0.000 0.257 125 H C -0.972 174.521 175.328 0.275 0.000 0.545 125 H CA 0.376 56.467 56.048 0.071 0.000 0.688 125 H CB -0.588 29.084 29.762 -0.150 0.000 0.965 125 H HN 0.082 nan 8.280 nan 0.000 0.303 126 L N 1.728 123.268 121.223 0.529 0.000 2.381 126 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 126 L C -1.345 175.630 176.870 0.176 0.000 0.988 126 L CA -0.768 54.276 54.840 0.341 0.000 0.824 126 L CB 1.585 43.803 42.059 0.265 0.000 1.263 126 L HN 0.500 nan 8.230 nan 0.000 0.410 127 L N 6.203 127.420 121.223 -0.010 0.000 2.319 127 L HA 0.646 4.986 4.340 -0.000 0.000 0.281 127 L C -1.221 175.568 176.870 -0.135 0.000 1.005 127 L CA -0.284 54.377 54.840 -0.298 0.000 0.828 127 L CB 1.764 43.583 42.059 -0.400 0.000 1.227 127 L HN 0.412 nan 8.230 nan 0.000 0.415 128 V N 5.172 125.015 119.914 -0.119 0.000 2.311 128 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 128 V C -0.088 175.973 176.094 -0.054 0.000 1.022 128 V CA -0.578 61.691 62.300 -0.052 0.000 0.830 128 V CB 1.012 32.830 31.823 -0.008 0.000 1.012 128 V HN 0.829 nan 8.190 nan 0.000 0.452 129 N N 3.420 122.096 118.700 -0.040 0.000 2.421 129 N HA 0.777 5.517 4.740 -0.000 0.000 0.285 129 N C -0.152 175.358 175.510 -0.001 0.000 1.027 129 N CA 0.242 53.275 53.050 -0.029 0.000 0.918 129 N CB 1.669 40.137 38.487 -0.032 0.000 1.152 129 N HN 0.901 nan 8.380 nan 0.000 0.485 130 G N 0.507 109.310 108.800 0.004 0.000 2.387 130 G HA2 0.542 4.502 3.960 -0.000 0.000 0.294 130 G HA3 0.542 4.502 3.960 -0.000 0.000 0.294 130 G C -1.275 173.635 174.900 0.016 0.000 1.509 130 G CA -0.287 44.823 45.100 0.016 0.000 0.806 130 G HN 0.742 nan 8.290 nan 0.000 0.546 131 A N -0.295 122.536 122.820 0.019 0.000 2.262 131 A HA 0.759 5.078 4.320 -0.000 0.000 0.273 131 A C 0.842 178.438 177.584 0.019 0.000 1.202 131 A CA 0.326 52.374 52.037 0.018 0.000 0.811 131 A CB -0.083 18.928 19.000 0.018 0.000 1.159 131 A HN 1.138 nan 8.150 nan 0.000 0.505 132 T N 0.323 114.888 114.554 0.018 0.000 2.794 132 T HA 0.478 4.828 4.350 -0.000 0.000 0.296 132 T C 1.093 175.803 174.700 0.016 0.000 0.949 132 T CA 1.025 63.136 62.100 0.018 0.000 1.101 132 T CB 0.690 69.568 68.868 0.017 0.000 0.905 132 T HN 2.012 nan 8.240 nan 0.000 0.516 133 G N 2.729 111.538 108.800 0.016 0.000 2.147 133 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 133 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 133 G C 0.774 175.683 174.900 0.015 0.000 1.005 133 G CA 0.431 45.539 45.100 0.014 0.000 0.713 133 G HN 0.989 nan 8.290 nan 0.000 0.515 134 T N -2.824 111.740 114.554 0.018 0.000 3.086 134 T HA 0.483 4.833 4.350 -0.000 0.000 0.250 134 T C 1.909 176.620 174.700 0.018 0.000 1.074 134 T CA 1.307 63.417 62.100 0.017 0.000 0.988 134 T CB 0.646 69.525 68.868 0.020 0.000 0.988 134 T HN 2.112 nan 8.240 nan 0.000 0.530 135 G N 1.226 110.040 108.800 0.023 0.000 2.159 135 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.170 135 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.170 135 G C 0.675 175.598 174.900 0.038 0.000 1.007 135 G CA 0.110 45.228 45.100 0.030 0.000 0.672 135 G HN 0.449 nan 8.290 nan 0.000 0.507 136 K N 0.509 120.931 120.400 0.036 0.000 2.097 136 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 136 K C 2.620 179.252 176.600 0.053 0.000 1.050 136 K CA 1.564 57.878 56.287 0.044 0.000 0.938 136 K CB -0.147 32.377 32.500 0.041 0.000 0.718 136 K HN 0.340 nan 8.250 nan 0.000 0.442 137 S N 0.546 116.274 115.700 0.047 0.000 2.356 137 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 137 S C 2.048 176.685 174.600 0.061 0.000 1.032 137 S CA 1.220 59.448 58.200 0.047 0.000 1.005 137 S CB -0.192 63.031 63.200 0.038 0.000 0.867 137 S HN 0.042 nan 8.310 nan 0.000 0.449 138 V N 2.144 122.100 119.914 0.072 0.000 2.287 138 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 138 V C 2.187 178.341 176.094 0.100 0.000 1.053 138 V CA 1.681 64.041 62.300 0.099 0.000 1.027 138 V CB -0.686 31.186 31.823 0.081 0.000 0.646 138 V HN 0.407 nan 8.190 nan 0.000 0.447 139 L N -0.992 120.278 121.223 0.078 0.000 2.005 139 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 139 L C 2.358 179.278 176.870 0.084 0.000 1.072 139 L CA 1.606 56.494 54.840 0.081 0.000 0.744 139 L CB -0.152 41.948 42.059 0.068 0.000 0.895 139 L HN 0.224 nan 8.230 nan 0.000 0.433 140 L N -0.079 121.195 121.223 0.085 0.000 2.093 140 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 140 L C 2.693 179.531 176.870 -0.053 0.000 1.085 140 L CA 1.558 56.464 54.840 0.109 0.000 0.755 140 L CB -0.781 41.368 42.059 0.151 0.000 0.904 140 L HN 0.224 nan 8.230 nan 0.000 0.435 141 R N -0.312 120.153 120.500 -0.059 0.000 2.081 141 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 141 R C 2.278 178.482 176.300 -0.159 0.000 1.131 141 R CA 1.740 57.748 56.100 -0.153 0.000 0.960 141 R CB -0.124 30.169 30.300 -0.010 0.000 0.856 141 R HN 0.529 nan 8.270 nan 0.000 0.436 142 E N 0.205 120.433 120.200 0.047 0.000 2.158 142 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 142 E C 2.019 178.666 176.600 0.078 0.000 0.982 142 E CA 0.539 57.050 56.400 0.186 0.000 0.823 142 E CB -0.040 29.788 29.700 0.213 0.000 0.766 142 E HN 0.404 nan 8.360 nan 0.000 0.468 143 L N 0.533 121.749 121.223 -0.012 0.000 2.027 143 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 143 L C 2.594 179.302 176.870 -0.269 0.000 1.074 143 L CA 1.372 56.166 54.840 -0.078 0.000 0.745 143 L CB -0.366 41.717 42.059 0.040 0.000 0.898 143 L HN 0.267 nan 8.230 nan 0.000 0.433 144 A N -0.914 121.652 122.820 -0.425 0.000 1.898 144 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 144 A C 2.111 179.322 177.584 -0.622 0.000 1.181 144 A CA 1.722 53.309 52.037 -0.750 0.000 0.620 144 A CB -0.983 17.308 19.000 -1.181 0.000 0.819 144 A HN 0.596 nan 8.150 nan 0.000 0.442 145 Y N 1.995 121.911 120.300 -0.640 0.000 2.070 145 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 145 Y C 2.776 178.627 175.900 -0.082 0.000 1.148 145 Y CA 2.733 60.682 58.100 -0.251 0.000 1.125 145 Y CB -1.096 37.430 38.460 0.110 0.000 0.975 145 Y HN 0.397 nan 8.280 nan 0.000 0.492 146 T N -2.312 111.995 114.554 -0.411 0.000 2.929 146 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 146 T C 2.114 176.641 174.700 -0.289 0.000 1.085 146 T CA 1.154 62.994 62.100 -0.434 0.000 1.125 146 T CB -1.208 67.566 68.868 -0.157 0.000 0.874 146 T HN 0.447 nan 8.240 nan 0.000 0.494 147 G N 1.282 109.904 108.800 -0.297 0.000 2.396 147 G HA2 0.089 4.049 3.960 -0.000 0.000 0.214 147 G HA3 0.089 4.049 3.960 -0.000 0.000 0.214 147 G C 1.506 176.322 174.900 -0.140 0.000 1.166 147 G CA 0.359 45.317 45.100 -0.236 0.000 0.793 147 G HN 0.507 nan 8.290 nan 0.000 0.533 148 L N 0.103 121.214 121.223 -0.186 0.000 2.083 148 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 148 L C 2.874 179.709 176.870 -0.059 0.000 1.083 148 L CA 0.461 55.253 54.840 -0.080 0.000 0.752 148 L CB -0.364 41.675 42.059 -0.034 0.000 0.899 148 L HN 0.177 nan 8.230 nan 0.000 0.433 149 L N -0.451 120.678 121.223 -0.157 0.000 2.079 149 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 149 L C 2.667 179.500 176.870 -0.063 0.000 1.081 149 L CA 1.288 56.048 54.840 -0.133 0.000 0.752 149 L CB -0.454 41.437 42.059 -0.280 0.000 0.896 149 L HN 0.255 nan 8.230 nan 0.000 0.433 150 R N -0.004 120.460 120.500 -0.058 0.000 2.307 150 R HA -0.027 4.313 4.340 -0.000 0.000 0.199 150 R C 1.172 177.486 176.300 0.022 0.000 1.000 150 R CA 0.692 56.788 56.100 -0.006 0.000 1.023 150 R CB 0.075 30.386 30.300 0.019 0.000 0.908 150 R HN 0.447 nan 8.270 nan 0.000 0.473 151 G N 0.944 109.757 108.800 0.022 0.000 2.132 151 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 151 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 151 G C -0.619 174.320 174.900 0.065 0.000 0.989 151 G CA 0.179 45.303 45.100 0.040 0.000 0.676 151 G HN 0.374 nan 8.290 nan 0.000 0.522 152 D N 0.111 120.572 120.400 0.102 0.000 2.362 152 D HA 0.444 5.084 4.640 -0.000 0.000 0.242 152 D C 1.154 177.556 176.300 0.170 0.000 1.132 152 D CA 0.156 54.267 54.000 0.186 0.000 0.907 152 D CB 0.639 41.669 40.800 0.383 0.000 1.195 152 D HN 0.403 nan 8.370 nan 0.000 0.429 153 R N 0.479 121.091 120.500 0.186 0.000 2.674 153 R HA 0.755 5.094 4.340 -0.000 0.000 0.266 153 R C -0.040 176.433 176.300 0.288 0.000 1.016 153 R CA -0.655 55.541 56.100 0.161 0.000 1.062 153 R CB 1.182 31.504 30.300 0.036 0.000 1.142 153 R HN 0.474 nan 8.270 nan 0.000 0.517 154 M N -1.171 118.598 119.600 0.281 0.000 2.562 154 M HA 0.354 4.834 4.480 -0.000 0.000 0.281 154 M C -1.510 174.939 176.300 0.248 0.000 1.195 154 M CA -1.154 54.350 55.300 0.340 0.000 0.888 154 M CB 1.831 34.626 32.600 0.325 0.000 1.731 154 M HN 0.142 nan 8.290 nan 0.000 0.493 155 V N 2.847 122.924 119.914 0.272 0.000 2.384 155 V HA 0.601 4.721 4.120 -0.000 0.000 0.287 155 V C -0.546 175.624 176.094 0.127 0.000 1.020 155 V CA -0.401 61.960 62.300 0.102 0.000 0.850 155 V CB 1.721 33.629 31.823 0.141 0.000 0.987 155 V HN 0.718 nan 8.190 nan 0.000 0.436 156 I N 4.778 125.317 120.570 -0.052 0.000 2.389 156 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 156 I C -0.317 175.897 176.117 0.162 0.000 0.999 156 I CA -0.852 60.482 61.300 0.056 0.000 1.129 156 I CB 2.163 40.072 38.000 -0.151 0.000 1.288 156 I HN 0.278 nan 8.210 nan 0.000 0.444 157 V N 5.019 125.095 119.914 0.271 0.000 2.370 157 V HA 0.059 4.179 4.120 -0.000 0.000 0.257 157 V C -0.161 176.153 176.094 0.367 0.000 1.064 157 V CA 0.121 62.659 62.300 0.397 0.000 0.975 157 V CB 0.543 32.602 31.823 0.393 0.000 1.067 157 V HN 0.624 nan 8.190 nan 0.000 0.485 158 D N 7.419 128.010 120.400 0.318 0.000 2.477 158 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 158 D C -2.719 173.350 176.300 -0.387 0.000 1.102 158 D CA -2.201 51.829 54.000 0.050 0.000 0.901 158 D CB 1.681 42.587 40.800 0.178 0.000 1.026 158 D HN 0.250 nan 8.370 nan 0.000 0.515 159 P HA 0.145 nan 4.420 nan 0.000 0.267 159 P C -0.063 176.864 177.300 -0.621 0.000 1.205 159 P CA 0.007 62.391 63.100 -1.194 0.000 0.765 159 P CB 0.475 31.729 31.700 -0.742 0.000 0.828 160 N N 2.756 121.086 118.700 -0.617 0.000 2.815 160 N HA -0.185 4.555 4.740 -0.000 0.000 0.247 160 N C 0.873 176.262 175.510 -0.202 0.000 1.030 160 N CA 1.810 54.659 53.050 -0.335 0.000 0.881 160 N CB -1.820 36.518 38.487 -0.247 0.000 1.134 160 N HN 0.813 nan 8.380 nan 0.000 0.582 161 G N -0.209 108.476 108.800 -0.191 0.000 2.283 161 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.280 161 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.280 161 G C 0.659 175.494 174.900 -0.108 0.000 1.029 161 G CA 0.830 45.867 45.100 -0.105 0.000 0.840 161 G HN 0.469 nan 8.290 nan 0.000 0.505 162 D N -0.059 120.280 120.400 -0.101 0.000 2.097 162 D HA -0.051 4.588 4.640 -0.000 0.000 0.197 162 D C 2.633 178.910 176.300 -0.038 0.000 0.984 162 D CA 1.148 55.106 54.000 -0.071 0.000 0.826 162 D CB -0.105 40.660 40.800 -0.058 0.000 0.973 162 D HN 0.380 nan 8.370 nan 0.000 0.460 163 M N 0.005 119.619 119.600 0.025 0.000 2.229 163 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 163 M C 2.154 178.486 176.300 0.053 0.000 1.063 163 M CA 0.607 56.012 55.300 0.176 0.000 1.114 163 M CB -0.747 31.993 32.600 0.234 0.000 1.387 163 M HN 0.084 nan 8.290 nan 0.000 0.420 164 L N 0.079 121.118 121.223 -0.306 0.000 2.056 164 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 164 L C 2.372 178.983 176.870 -0.431 0.000 1.078 164 L CA 1.726 56.069 54.840 -0.828 0.000 0.749 164 L CB -0.785 40.852 42.059 -0.703 0.000 0.901 164 L HN 0.137 nan 8.230 nan 0.000 0.433 165 S N -0.461 115.088 115.700 -0.253 0.000 2.382 165 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 165 S C 1.840 176.308 174.600 -0.221 0.000 1.027 165 S CA 1.575 59.660 58.200 -0.192 0.000 0.991 165 S CB -0.177 62.944 63.200 -0.132 0.000 0.823 165 S HN 0.500 nan 8.310 nan 0.000 0.469 166 K N -0.740 119.489 120.400 -0.285 0.000 2.334 166 K HA 0.195 4.514 4.320 -0.000 0.000 0.195 166 K C 0.377 176.500 176.600 -0.795 0.000 1.045 166 K CA 0.548 56.509 56.287 -0.543 0.000 1.004 166 K CB 0.204 32.270 32.500 -0.722 0.000 0.837 166 K HN 0.328 nan 8.250 nan 0.000 0.510 167 F N 0.148 120.035 119.950 -0.105 0.000 2.798 167 F HA 0.257 4.784 4.527 -0.000 0.000 0.328 167 F C 1.008 176.829 175.800 0.034 0.000 1.098 167 F CA -0.867 57.132 58.000 -0.001 0.000 1.172 167 F CB 0.686 39.720 39.000 0.056 0.000 1.072 167 F HN -0.168 nan 8.300 nan 0.000 0.555 168 G N 1.834 110.588 108.800 -0.077 0.000 2.354 168 G HA2 0.436 4.396 3.960 -0.000 0.000 0.266 168 G HA3 0.436 4.396 3.960 -0.000 0.000 0.266 168 G C 0.081 174.986 174.900 0.008 0.000 1.242 168 G CA -0.281 44.730 45.100 -0.148 0.000 0.923 168 G HN 0.151 nan 8.290 nan 0.000 0.476 169 R N 1.374 121.942 120.500 0.114 0.000 2.705 169 R HA 0.290 4.630 4.340 -0.000 0.000 0.246 169 R C 0.392 176.734 176.300 0.069 0.000 1.142 169 R CA -0.941 55.214 56.100 0.092 0.000 1.114 169 R CB 1.102 31.479 30.300 0.128 0.000 1.256 169 R HN 0.463 nan 8.270 nan 0.000 0.536 170 D N 1.150 121.583 120.400 0.055 0.000 2.183 170 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 170 D C 1.198 177.533 176.300 0.059 0.000 0.969 170 D CA 1.336 55.361 54.000 0.041 0.000 0.842 170 D CB 0.169 40.987 40.800 0.030 0.000 0.957 170 D HN 0.480 nan 8.370 nan 0.000 0.484 171 K N 0.766 121.217 120.400 0.085 0.000 2.418 171 K HA 0.011 4.331 4.320 -0.000 0.000 0.195 171 K C 0.152 176.839 176.600 0.145 0.000 1.035 171 K CA 0.124 56.474 56.287 0.105 0.000 1.003 171 K CB 0.232 32.796 32.500 0.107 0.000 0.793 171 K HN -0.145 nan 8.250 nan 0.000 0.494 172 D N 1.485 121.980 120.400 0.160 0.000 2.362 172 D HA 0.138 4.778 4.640 -0.000 0.000 0.242 172 D C 0.193 176.568 176.300 0.125 0.000 1.132 172 D CA -0.173 53.956 54.000 0.214 0.000 0.907 172 D CB 0.761 41.764 40.800 0.339 0.000 1.195 172 D HN -0.031 nan 8.370 nan 0.000 0.429 173 I N 1.364 121.974 120.570 0.067 0.000 2.566 173 I HA 0.404 4.574 4.170 -0.000 0.000 0.303 173 I C 0.417 176.445 176.117 -0.150 0.000 0.983 173 I CA -0.555 60.636 61.300 -0.182 0.000 1.235 173 I CB 0.908 38.606 38.000 -0.502 0.000 1.386 173 I HN 0.204 nan 8.210 nan 0.000 0.494 174 I N 5.399 125.811 120.570 -0.264 0.000 2.499 174 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 174 I C -0.928 174.986 176.117 -0.338 0.000 1.048 174 I CA -0.476 60.713 61.300 -0.185 0.000 1.062 174 I CB 2.399 40.345 38.000 -0.090 0.000 1.238 174 I HN 0.220 nan 8.210 nan 0.000 0.426 175 L N 6.533 127.529 121.223 -0.378 0.000 2.342 175 L HA 0.551 4.891 4.340 -0.000 0.000 0.276 175 L C -0.695 176.055 176.870 -0.201 0.000 0.997 175 L CA -0.333 54.139 54.840 -0.613 0.000 0.838 175 L CB 1.264 42.445 42.059 -1.463 0.000 1.224 175 L HN 0.536 nan 8.230 nan 0.000 0.416 176 N N 5.111 123.840 118.700 0.049 0.000 2.839 176 N HA 0.177 4.917 4.740 -0.000 0.000 0.258 176 N C -2.399 173.230 175.510 0.198 0.000 1.150 176 N CA -1.064 52.152 53.050 0.277 0.000 0.957 176 N CB 2.595 41.252 38.487 0.283 0.000 1.560 176 N HN 0.100 nan 8.380 nan 0.000 0.588 177 P HA -0.069 nan 4.420 nan 0.000 0.226 177 P C 0.030 177.056 177.300 -0.456 0.000 1.146 177 P CA 1.140 64.127 63.100 -0.188 0.000 0.773 177 P CB 0.030 31.518 31.700 -0.353 0.000 0.772 178 Y N -1.234 119.200 120.300 0.224 0.000 2.660 178 Y HA 0.322 4.872 4.550 -0.000 0.000 0.254 178 Y C 0.661 176.740 175.900 0.297 0.000 1.176 178 Y CA -0.874 57.380 58.100 0.257 0.000 1.195 178 Y CB 0.217 38.859 38.460 0.303 0.000 1.190 178 Y HN -0.089 nan 8.280 nan 0.000 0.535 179 D N 0.626 121.189 120.400 0.272 0.000 2.278 179 D HA 0.083 4.723 4.640 -0.000 0.000 0.245 179 D C 0.661 176.963 176.300 0.004 0.000 1.052 179 D CA -0.159 53.910 54.000 0.115 0.000 0.834 179 D CB 1.843 42.743 40.800 0.166 0.000 1.194 179 D HN 0.210 nan 8.370 nan 0.000 0.481 180 Q N 2.527 122.282 119.800 -0.074 0.000 2.291 180 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 180 Q C 1.191 177.160 176.000 -0.052 0.000 0.976 180 Q CA 1.197 56.964 55.803 -0.060 0.000 0.875 180 Q CB 0.315 29.003 28.738 -0.085 0.000 0.927 180 Q HN 0.376 nan 8.270 nan 0.000 0.450 181 R N -0.437 120.027 120.500 -0.060 0.000 2.310 181 R HA 0.093 4.433 4.340 -0.000 0.000 0.202 181 R C 0.250 176.505 176.300 -0.075 0.000 0.933 181 R CA 0.113 56.176 56.100 -0.062 0.000 1.054 181 R CB 0.289 30.548 30.300 -0.068 0.000 0.985 181 R HN 0.061 nan 8.270 nan 0.000 0.489 182 T N 1.577 116.093 114.554 -0.063 0.000 2.903 182 T HA 0.053 4.403 4.350 -0.000 0.000 0.314 182 T C 0.496 175.123 174.700 -0.122 0.000 1.078 182 T CA 0.103 62.143 62.100 -0.100 0.000 1.114 182 T CB 0.836 69.677 68.868 -0.046 0.000 0.987 182 T HN -0.109 nan 8.240 nan 0.000 0.548 183 K N 1.087 121.355 120.400 -0.220 0.000 2.098 183 K HA 0.446 4.766 4.320 -0.000 0.000 0.257 183 K C 0.590 177.184 176.600 -0.009 0.000 0.999 183 K CA -0.420 55.752 56.287 -0.191 0.000 0.924 183 K CB 1.173 33.347 32.500 -0.542 0.000 1.028 183 K HN 0.769 nan 8.250 nan 0.000 0.466 184 G N 0.636 109.496 108.800 0.100 0.000 2.372 184 G HA2 0.341 4.301 3.960 -0.000 0.000 0.283 184 G HA3 0.341 4.301 3.960 -0.000 0.000 0.283 184 G C -1.322 173.794 174.900 0.359 0.000 1.177 184 G CA -0.334 44.877 45.100 0.185 0.000 0.842 184 G HN 0.614 nan 8.290 nan 0.000 0.503 185 W N 1.325 122.727 121.300 0.170 0.000 3.074 185 W HA 0.621 5.280 4.660 -0.000 0.000 0.332 185 W C -0.641 176.034 176.519 0.260 0.000 1.253 185 W CA -0.596 56.893 57.345 0.239 0.000 1.180 185 W CB 1.987 31.636 29.460 0.314 0.000 1.445 185 W HN 0.983 nan 8.180 nan 0.000 0.573 186 S N 2.775 118.050 115.700 -0.708 0.000 2.558 186 S HA 0.228 4.698 4.470 -0.000 0.000 0.277 186 S C -0.043 173.623 174.600 -1.557 0.000 1.143 186 S CA -0.258 57.490 58.200 -0.754 0.000 0.865 186 S CB -0.012 63.087 63.200 -0.168 0.000 1.102 186 S HN 1.100 nan 8.310 nan 0.000 0.454 187 F N 2.124 121.317 119.950 -1.262 0.000 2.408 187 F HA 0.215 4.742 4.527 -0.000 0.000 0.300 187 F C 1.097 176.594 175.800 -0.506 0.000 1.090 187 F CA 0.535 58.055 58.000 -0.800 0.000 1.427 187 F CB -0.733 38.112 39.000 -0.258 0.000 1.070 187 F HN 0.505 nan 8.300 nan 0.000 0.549 188 F N 1.584 120.858 119.950 -1.126 0.000 2.333 188 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 188 F C 1.837 177.317 175.800 -0.533 0.000 1.083 188 F CA 1.264 58.773 58.000 -0.819 0.000 1.395 188 F CB -0.777 37.884 39.000 -0.566 0.000 1.056 188 F HN 0.052 nan 8.300 nan 0.000 0.529 189 N N -0.029 118.466 118.700 -0.341 0.000 2.512 189 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 189 N C 1.274 176.640 175.510 -0.241 0.000 1.073 189 N CA 0.713 53.614 53.050 -0.249 0.000 0.911 189 N CB -0.223 38.125 38.487 -0.232 0.000 0.964 189 N HN 0.340 nan 8.380 nan 0.000 0.447 190 E N 0.065 120.059 120.200 -0.342 0.000 2.476 190 E HA 0.114 4.464 4.350 -0.000 0.000 0.199 190 E C 0.255 176.615 176.600 -0.401 0.000 1.021 190 E CA -0.098 56.052 56.400 -0.416 0.000 0.907 190 E CB 0.728 29.951 29.700 -0.795 0.000 0.974 190 E HN 0.202 nan 8.360 nan 0.000 0.489 191 I N 2.282 122.609 120.570 -0.406 0.000 2.452 191 I HA 0.086 4.256 4.170 -0.000 0.000 0.287 191 I C 1.442 177.360 176.117 -0.331 0.000 1.079 191 I CA 0.291 61.309 61.300 -0.470 0.000 1.387 191 I CB 0.563 38.036 38.000 -0.878 0.000 1.404 191 I HN -0.086 nan 8.210 nan 0.000 0.522 192 R N 3.967 124.296 120.500 -0.285 0.000 2.215 192 R HA 0.263 4.603 4.340 -0.000 0.000 0.190 192 R C 0.191 176.381 176.300 -0.183 0.000 0.968 192 R CA 0.202 56.191 56.100 -0.186 0.000 1.122 192 R CB 0.307 30.532 30.300 -0.126 0.000 1.151 192 R HN 0.582 nan 8.270 nan 0.000 0.582 193 N N 0.638 119.165 118.700 -0.288 0.000 2.531 193 N HA 0.057 4.797 4.740 -0.000 0.000 0.290 193 N C 0.037 175.418 175.510 -0.215 0.000 1.257 193 N CA -0.366 52.563 53.050 -0.202 0.000 0.863 193 N CB 1.355 39.736 38.487 -0.177 0.000 1.320 193 N HN -0.106 nan 8.380 nan 0.000 0.538 194 D N -0.378 120.040 120.400 0.030 0.000 2.178 194 D HA -0.155 4.484 4.640 -0.000 0.000 0.202 194 D C 1.598 178.025 176.300 0.212 0.000 0.974 194 D CA 1.180 55.306 54.000 0.209 0.000 0.841 194 D CB -0.022 40.937 40.800 0.265 0.000 0.953 194 D HN 0.646 nan 8.370 nan 0.000 0.478 195 Y N -0.987 119.369 120.300 0.093 0.000 2.616 195 Y HA 0.104 4.654 4.550 -0.000 0.000 0.296 195 Y C 1.120 177.039 175.900 0.032 0.000 1.154 195 Y CA 0.435 58.577 58.100 0.070 0.000 1.325 195 Y CB -0.342 38.136 38.460 0.031 0.000 1.007 195 Y HN -0.138 nan 8.280 nan 0.000 0.542 196 D N 0.056 120.206 120.400 -0.416 0.000 2.277 196 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 196 D C 1.279 177.532 176.300 -0.080 0.000 0.962 196 D CA 0.847 54.636 54.000 -0.350 0.000 0.865 196 D CB -0.437 40.131 40.800 -0.387 0.000 0.939 196 D HN 0.560 nan 8.370 nan 0.000 0.510 197 W N 1.290 122.632 121.300 0.070 0.000 2.354 197 W HA -0.182 4.478 4.660 -0.000 0.000 0.315 197 W C 2.660 179.230 176.519 0.084 0.000 1.206 197 W CA 0.545 57.960 57.345 0.118 0.000 1.290 197 W CB -0.310 29.201 29.460 0.086 0.000 1.152 197 W HN -0.033 nan 8.180 nan 0.000 0.489 198 Q N 1.179 121.146 119.800 0.278 0.000 2.083 198 Q HA -0.163 4.177 4.340 -0.000 0.000 0.198 198 Q C 2.194 178.226 176.000 0.054 0.000 0.969 198 Q CA 1.814 57.707 55.803 0.149 0.000 0.838 198 Q CB -0.565 28.246 28.738 0.121 0.000 0.900 198 Q HN 0.216 nan 8.270 nan 0.000 0.436 199 R N -1.164 119.327 120.500 -0.015 0.000 2.113 199 R HA -0.215 4.125 4.340 -0.000 0.000 0.244 199 R C 1.319 177.419 176.300 -0.334 0.000 1.142 199 R CA 1.987 57.958 56.100 -0.215 0.000 0.953 199 R CB -0.349 29.722 30.300 -0.380 0.000 0.860 199 R HN 0.399 nan 8.270 nan 0.000 0.438 200 Y N -0.880 119.465 120.300 0.074 0.000 2.482 200 Y HA 0.261 4.811 4.550 -0.000 0.000 0.270 200 Y C 1.959 177.837 175.900 -0.036 0.000 1.152 200 Y CA 0.334 58.478 58.100 0.074 0.000 1.292 200 Y CB 0.161 38.713 38.460 0.154 0.000 1.070 200 Y HN 0.213 nan 8.280 nan 0.000 0.528 201 A N -0.670 122.183 122.820 0.055 0.000 2.067 201 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 201 A C 1.931 179.494 177.584 -0.035 0.000 1.156 201 A CA 0.857 52.857 52.037 -0.062 0.000 0.683 201 A CB -0.526 18.482 19.000 0.013 0.000 0.808 201 A HN 0.318 nan 8.150 nan 0.000 0.455 202 L N -0.203 121.020 121.223 0.000 0.000 2.217 202 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 202 L C 2.470 179.353 176.870 0.022 0.000 1.107 202 L CA 1.896 56.737 54.840 0.002 0.000 0.783 202 L CB -0.670 41.383 42.059 -0.009 0.000 0.919 202 L HN 0.318 nan 8.230 nan 0.000 0.442 203 S N -1.666 114.072 115.700 0.064 0.000 2.406 203 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 203 S C 1.971 176.623 174.600 0.086 0.000 1.030 203 S CA 0.874 59.146 58.200 0.121 0.000 0.958 203 S CB 0.012 63.378 63.200 0.278 0.000 0.811 203 S HN 0.223 nan 8.310 nan 0.000 0.489 204 V N 1.429 121.353 119.914 0.017 0.000 2.427 204 V HA 0.006 4.126 4.120 -0.000 0.000 0.248 204 V C 0.693 176.752 176.094 -0.057 0.000 1.051 204 V CA 0.946 63.202 62.300 -0.074 0.000 1.048 204 V CB -0.407 31.182 31.823 -0.389 0.000 0.666 204 V HN 0.272 nan 8.190 nan 0.000 0.456 205 V N 3.225 123.110 119.914 -0.048 0.000 2.266 205 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 205 V C -2.234 173.856 176.094 -0.006 0.000 1.032 205 V CA -1.756 60.534 62.300 -0.017 0.000 0.806 205 V CB 0.956 32.773 31.823 -0.010 0.000 1.052 205 V HN 0.287 nan 8.190 nan 0.000 0.449 206 P HA 0.175 nan 4.420 nan 0.000 0.272 206 P C -0.169 177.108 177.300 -0.037 0.000 1.240 206 P CA -0.510 62.577 63.100 -0.020 0.000 0.791 206 P CB 0.797 32.478 31.700 -0.033 0.000 0.978 207 R N 0.353 120.819 120.500 -0.057 0.000 2.638 207 R HA 0.158 4.498 4.340 -0.000 0.000 0.268 207 R C 1.098 177.341 176.300 -0.096 0.000 1.006 207 R CA 0.438 56.494 56.100 -0.074 0.000 1.088 207 R CB -0.770 29.481 30.300 -0.082 0.000 0.950 207 R HN 0.635 nan 8.270 nan 0.000 0.419 208 G N 1.104 109.848 108.800 -0.093 0.000 2.527 208 G HA2 0.016 3.976 3.960 -0.000 0.000 0.248 208 G HA3 0.016 3.976 3.960 -0.000 0.000 0.248 208 G C 0.845 175.670 174.900 -0.125 0.000 1.231 208 G CA -0.426 44.613 45.100 -0.101 0.000 0.838 208 G HN 0.641 nan 8.290 nan 0.000 0.570 209 K N -0.431 119.901 120.400 -0.113 0.000 2.057 209 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 209 K C 1.468 178.002 176.600 -0.111 0.000 1.049 209 K CA 1.608 57.830 56.287 -0.109 0.000 0.931 209 K CB -0.171 32.283 32.500 -0.077 0.000 0.714 209 K HN 0.635 nan 8.250 nan 0.000 0.440 210 T N -2.095 112.373 114.554 -0.144 0.000 2.949 210 T HA 0.179 4.529 4.350 -0.000 0.000 0.287 210 T C 0.517 175.093 174.700 -0.206 0.000 1.034 210 T CA -0.918 61.086 62.100 -0.159 0.000 1.018 210 T CB 1.453 70.216 68.868 -0.174 0.000 1.135 210 T HN -0.044 nan 8.240 nan 0.000 0.532 211 D N 0.180 120.471 120.400 -0.182 0.000 2.123 211 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 211 D C 1.716 177.833 176.300 -0.304 0.000 0.992 211 D CA 1.422 55.307 54.000 -0.191 0.000 0.833 211 D CB -0.041 40.677 40.800 -0.137 0.000 0.954 211 D HN 0.862 nan 8.370 nan 0.000 0.455 212 E N 0.568 120.537 120.200 -0.384 0.000 2.051 212 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 212 E C 1.991 177.900 176.600 -1.152 0.000 0.991 212 E CA 1.051 57.068 56.400 -0.638 0.000 0.799 212 E CB 0.023 29.385 29.700 -0.562 0.000 0.748 212 E HN 0.156 nan 8.360 nan 0.000 0.449 213 A N 0.804 123.040 122.820 -0.973 0.000 2.015 213 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 213 A C 1.981 179.340 177.584 -0.376 0.000 1.163 213 A CA 1.602 53.162 52.037 -0.794 0.000 0.646 213 A CB -0.394 18.402 19.000 -0.340 0.000 0.806 213 A HN 0.265 nan 8.150 nan 0.000 0.448 214 E N 0.345 120.347 120.200 -0.330 0.000 2.358 214 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 214 E C 1.781 178.237 176.600 -0.239 0.000 1.010 214 E CA 1.210 57.486 56.400 -0.206 0.000 0.856 214 E CB -0.248 29.351 29.700 -0.169 0.000 0.795 214 E HN 0.698 nan 8.360 nan 0.000 0.504 215 E N -0.770 119.209 120.200 -0.368 0.000 2.046 215 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 215 E C 1.350 177.706 176.600 -0.406 0.000 0.982 215 E CA 1.058 57.211 56.400 -0.411 0.000 0.800 215 E CB -0.170 29.304 29.700 -0.377 0.000 0.756 215 E HN 0.353 nan 8.360 nan 0.000 0.449 216 W N 0.593 121.790 121.300 -0.171 0.000 2.358 216 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 216 W C 2.401 178.929 176.519 0.015 0.000 1.208 216 W CA 0.876 58.232 57.345 0.018 0.000 1.274 216 W CB -1.331 28.193 29.460 0.107 0.000 1.138 216 W HN 0.182 nan 8.180 nan 0.000 0.515 217 A N 0.398 123.322 122.820 0.173 0.000 1.908 217 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 217 A C 2.243 179.864 177.584 0.062 0.000 1.181 217 A CA 2.415 54.515 52.037 0.105 0.000 0.627 217 A CB -1.075 17.945 19.000 0.034 0.000 0.818 217 A HN 0.184 nan 8.150 nan 0.000 0.445 218 S N -1.098 114.575 115.700 -0.046 0.000 2.370 218 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 218 S C 1.834 176.491 174.600 0.095 0.000 1.033 218 S CA 1.652 59.818 58.200 -0.057 0.000 1.011 218 S CB -0.539 62.541 63.200 -0.201 0.000 0.852 218 S HN 0.665 nan 8.310 nan 0.000 0.457 219 Y N 1.638 122.059 120.300 0.202 0.000 2.200 219 Y HA 0.039 4.589 4.550 -0.000 0.000 0.290 219 Y C 2.760 178.831 175.900 0.286 0.000 1.137 219 Y CA 0.204 58.495 58.100 0.318 0.000 1.163 219 Y CB -1.454 37.234 38.460 0.379 0.000 0.988 219 Y HN 0.297 nan 8.280 nan 0.000 0.518 220 G N 0.064 109.065 108.800 0.336 0.000 2.440 220 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 220 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 220 G C 1.830 176.819 174.900 0.149 0.000 1.154 220 G CA 0.898 46.115 45.100 0.196 0.000 0.767 220 G HN 0.315 nan 8.290 nan 0.000 0.552 221 R N -0.548 120.031 120.500 0.130 0.000 2.092 221 R HA 0.051 4.391 4.340 -0.000 0.000 0.231 221 R C 2.457 178.824 176.300 0.113 0.000 1.119 221 R CA 0.993 57.143 56.100 0.084 0.000 0.970 221 R CB -0.542 29.791 30.300 0.055 0.000 0.864 221 R HN 0.392 nan 8.270 nan 0.000 0.440 222 L N 1.262 122.586 121.223 0.168 0.000 2.017 222 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 222 L C 2.078 179.069 176.870 0.202 0.000 1.073 222 L CA 1.522 56.451 54.840 0.148 0.000 0.745 222 L CB -0.625 41.505 42.059 0.119 0.000 0.894 222 L HN 0.107 nan 8.230 nan 0.000 0.432 223 L N -0.916 120.508 121.223 0.334 0.000 2.017 223 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 223 L C 2.338 179.288 176.870 0.135 0.000 1.073 223 L CA 1.962 56.967 54.840 0.275 0.000 0.745 223 L CB -0.887 41.248 42.059 0.128 0.000 0.894 223 L HN 0.414 nan 8.230 nan 0.000 0.432 224 L N 0.324 121.608 121.223 0.102 0.000 1.994 224 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 224 L C 2.868 179.783 176.870 0.076 0.000 1.071 224 L CA 2.383 57.264 54.840 0.068 0.000 0.745 224 L CB -0.800 41.256 42.059 -0.005 0.000 0.892 224 L HN 0.530 nan 8.230 nan 0.000 0.431 225 R N -1.195 119.344 120.500 0.065 0.000 2.115 225 R HA -0.153 4.187 4.340 -0.000 0.000 0.230 225 R C 1.973 178.182 176.300 -0.151 0.000 1.111 225 R CA 1.502 57.630 56.100 0.046 0.000 0.976 225 R CB -0.545 29.825 30.300 0.116 0.000 0.870 225 R HN 0.296 nan 8.270 nan 0.000 0.445 226 E N 0.535 120.685 120.200 -0.084 0.000 2.112 226 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 226 E C 1.693 178.213 176.600 -0.134 0.000 0.979 226 E CA 1.737 58.051 56.400 -0.143 0.000 0.814 226 E CB -0.095 29.564 29.700 -0.067 0.000 0.762 226 E HN 0.371 nan 8.360 nan 0.000 0.460 227 T N 0.008 114.560 114.554 -0.003 0.000 2.737 227 T HA -0.071 4.278 4.350 -0.000 0.000 0.265 227 T C 1.822 176.604 174.700 0.138 0.000 1.038 227 T CA 1.339 63.512 62.100 0.121 0.000 1.144 227 T CB -0.331 68.661 68.868 0.208 0.000 0.866 227 T HN 0.264 nan 8.240 nan 0.000 0.434 228 A N 1.466 124.343 122.820 0.095 0.000 1.930 228 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 228 A C 2.252 179.747 177.584 -0.149 0.000 1.175 228 A CA 1.415 53.557 52.037 0.174 0.000 0.627 228 A CB -0.452 18.648 19.000 0.168 0.000 0.815 228 A HN 0.366 nan 8.150 nan 0.000 0.443 229 K N -0.229 119.754 120.400 -0.695 0.000 2.063 229 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 229 K C 2.200 178.575 176.600 -0.374 0.000 1.048 229 K CA 1.869 57.540 56.287 -1.028 0.000 0.928 229 K CB -0.144 31.727 32.500 -1.048 0.000 0.713 229 K HN 0.504 nan 8.250 nan 0.000 0.442 230 K N 0.812 121.058 120.400 -0.256 0.000 2.025 230 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 230 K C 2.153 178.729 176.600 -0.039 0.000 1.049 230 K CA 0.891 57.051 56.287 -0.212 0.000 0.933 230 K CB -0.054 32.180 32.500 -0.443 0.000 0.714 230 K HN 0.064 nan 8.250 nan 0.000 0.438 231 L N 0.698 121.997 121.223 0.126 0.000 2.042 231 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 231 L C 2.646 179.567 176.870 0.085 0.000 1.076 231 L CA 1.372 56.325 54.840 0.189 0.000 0.749 231 L CB -0.637 41.579 42.059 0.262 0.000 0.893 231 L HN 0.335 nan 8.230 nan 0.000 0.432 232 A N -0.035 122.869 122.820 0.139 0.000 1.902 232 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 232 A C 2.267 179.896 177.584 0.075 0.000 1.181 232 A CA 1.419 53.539 52.037 0.137 0.000 0.623 232 A CB -0.620 18.641 19.000 0.436 0.000 0.818 232 A HN 0.352 nan 8.150 nan 0.000 0.443 233 L N -0.095 121.155 121.223 0.045 0.000 1.994 233 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 233 L C 2.382 179.253 176.870 0.002 0.000 1.071 233 L CA 1.739 56.587 54.840 0.013 0.000 0.745 233 L CB -0.605 41.433 42.059 -0.035 0.000 0.892 233 L HN 0.660 nan 8.230 nan 0.000 0.431 234 I N -2.286 118.284 120.570 0.000 0.000 3.456 234 I HA 0.133 4.302 4.170 -0.000 0.000 0.291 234 I C 1.253 177.379 176.117 0.015 0.000 1.307 234 I CA 0.689 61.996 61.300 0.011 0.000 1.333 234 I CB -0.936 37.087 38.000 0.038 0.000 1.032 234 I HN 0.379 nan 8.210 nan 0.000 0.506 235 G N 1.423 110.225 108.800 0.003 0.000 2.148 235 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.254 235 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.254 235 G C 0.272 175.149 174.900 -0.038 0.000 0.981 235 G CA 0.435 45.525 45.100 -0.016 0.000 0.670 235 G HN 0.480 nan 8.290 nan 0.000 0.528 236 T N 2.169 116.702 114.554 -0.035 0.000 3.444 236 T HA 0.449 4.799 4.350 -0.000 0.000 0.265 236 T C -2.271 172.340 174.700 -0.147 0.000 1.537 236 T CA -0.642 61.424 62.100 -0.056 0.000 1.530 236 T CB 1.775 70.653 68.868 0.016 0.000 0.958 236 T HN 0.253 nan 8.240 nan 0.000 0.684 237 P HA 0.180 nan 4.420 nan 0.000 0.230 237 P C -0.232 176.543 177.300 -0.876 0.000 1.791 237 P CA -0.081 62.473 63.100 -0.910 0.000 1.020 237 P CB -0.368 30.695 31.700 -1.062 0.000 1.977 238 S N 1.633 117.120 115.700 -0.354 0.000 2.503 238 S HA 0.420 4.890 4.470 -0.000 0.000 0.301 238 S C 1.246 175.928 174.600 0.136 0.000 1.087 238 S CA -0.789 57.343 58.200 -0.114 0.000 1.042 238 S CB 1.338 64.513 63.200 -0.041 0.000 1.043 238 S HN -0.122 nan 8.310 nan 0.000 0.489 239 M N 1.927 121.657 119.600 0.217 0.000 2.229 239 M HA 0.043 4.523 4.480 -0.000 0.000 0.264 239 M C 2.081 178.548 176.300 0.279 0.000 1.063 239 M CA 1.344 56.842 55.300 0.330 0.000 1.114 239 M CB -1.340 31.445 32.600 0.307 0.000 1.387 239 M HN 0.784 nan 8.290 nan 0.000 0.420 240 R N -0.075 120.534 120.500 0.181 0.000 2.096 240 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 240 R C 2.036 178.460 176.300 0.207 0.000 1.127 240 R CA 0.909 57.110 56.100 0.169 0.000 0.968 240 R CB -0.084 30.264 30.300 0.080 0.000 0.861 240 R HN 0.405 nan 8.270 nan 0.000 0.440 241 E N 0.694 120.996 120.200 0.170 0.000 2.072 241 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 241 E C 2.000 178.799 176.600 0.332 0.000 0.982 241 E CA 0.679 57.183 56.400 0.173 0.000 0.803 241 E CB -0.171 29.627 29.700 0.164 0.000 0.755 241 E HN 0.139 nan 8.360 nan 0.000 0.453 242 L N 0.374 121.817 121.223 0.367 0.000 2.046 242 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 242 L C 2.235 179.308 176.870 0.337 0.000 1.077 242 L CA 1.420 56.499 54.840 0.399 0.000 0.747 242 L CB -0.623 41.711 42.059 0.457 0.000 0.896 242 L HN 0.024 nan 8.230 nan 0.000 0.432 243 F N -0.692 119.366 119.950 0.181 0.000 2.234 243 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 243 F C 2.666 178.499 175.800 0.055 0.000 1.087 243 F CA 1.954 60.021 58.000 0.111 0.000 1.340 243 F CB -0.434 38.630 39.000 0.107 0.000 1.031 243 F HN 0.380 nan 8.300 nan 0.000 0.500 244 H N -1.032 118.065 119.070 0.045 0.000 2.326 244 H HA -0.204 4.352 4.556 -0.000 0.000 0.301 244 H C 2.072 177.188 175.328 -0.353 0.000 1.081 244 H CA 2.391 58.319 56.048 -0.200 0.000 1.334 244 H CB -1.022 28.582 29.762 -0.263 0.000 1.385 244 H HN 0.424 nan 8.280 nan 0.000 0.504 245 W N 1.191 122.466 121.300 -0.041 0.000 2.354 245 W HA -0.176 4.484 4.660 -0.000 0.000 0.315 245 W C 3.029 179.411 176.519 -0.228 0.000 1.206 245 W CA 2.285 59.526 57.345 -0.174 0.000 1.290 245 W CB -0.551 28.762 29.460 -0.245 0.000 1.152 245 W HN 0.336 nan 8.180 nan 0.000 0.489 246 T N -4.481 110.104 114.554 0.051 0.000 3.072 246 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 246 T C 1.280 175.827 174.700 -0.254 0.000 1.127 246 T CA 1.638 63.689 62.100 -0.082 0.000 1.107 246 T CB -0.224 68.625 68.868 -0.032 0.000 0.910 246 T HN -0.017 nan 8.240 nan 0.000 0.513 247 T N 0.285 114.599 114.554 -0.401 0.000 3.057 247 T HA 0.388 4.738 4.350 -0.000 0.000 0.254 247 T C 1.404 175.816 174.700 -0.480 0.000 0.965 247 T CA -0.223 61.559 62.100 -0.530 0.000 0.978 247 T CB 0.310 68.605 68.868 -0.954 0.000 1.169 247 T HN 0.164 nan 8.240 nan 0.000 0.489 248 I N 1.576 121.819 120.570 -0.544 0.000 2.810 248 I HA 0.382 4.552 4.170 -0.000 0.000 0.262 248 I C 1.573 177.370 176.117 -0.534 0.000 1.131 248 I CA 0.106 61.101 61.300 -0.508 0.000 1.453 248 I CB -1.512 36.167 38.000 -0.534 0.000 1.161 248 I HN 0.083 nan 8.210 nan 0.000 0.444 249 A N 2.009 124.386 122.820 -0.739 0.000 2.547 249 A HA 0.216 4.536 4.320 -0.000 0.000 0.233 249 A C 1.026 178.472 177.584 -0.230 0.000 1.067 249 A CA 0.447 52.166 52.037 -0.530 0.000 0.763 249 A CB -0.390 18.287 19.000 -0.538 0.000 1.007 249 A HN 0.533 nan 8.150 nan 0.000 0.506 250 T N -0.911 113.573 114.554 -0.116 0.000 2.802 250 T HA 0.198 4.548 4.350 -0.000 0.000 0.305 250 T C 0.834 175.579 174.700 0.074 0.000 1.053 250 T CA 0.438 62.534 62.100 -0.007 0.000 1.058 250 T CB 0.060 68.939 68.868 0.019 0.000 0.988 250 T HN 0.419 nan 8.240 nan 0.000 0.539 251 F N 1.111 121.013 119.950 -0.079 0.000 2.126 251 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 251 F C 2.106 177.898 175.800 -0.013 0.000 1.096 251 F CA 1.907 59.866 58.000 -0.068 0.000 1.255 251 F CB -0.495 38.455 39.000 -0.083 0.000 0.997 251 F HN 0.616 nan 8.300 nan 0.000 0.479 252 D N -0.307 120.202 120.400 0.182 0.000 2.178 252 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 252 D C 1.885 178.252 176.300 0.111 0.000 0.974 252 D CA 1.308 55.379 54.000 0.119 0.000 0.841 252 D CB -0.438 40.422 40.800 0.101 0.000 0.953 252 D HN 0.284 nan 8.370 nan 0.000 0.478 253 D N 0.217 120.700 120.400 0.138 0.000 2.123 253 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 253 D C 2.239 178.755 176.300 0.359 0.000 0.976 253 D CA 0.135 54.282 54.000 0.245 0.000 0.831 253 D CB -0.169 40.770 40.800 0.232 0.000 0.974 253 D HN 0.187 nan 8.370 nan 0.000 0.469 254 L N 0.936 122.309 121.223 0.250 0.000 1.994 254 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 254 L C 2.525 179.446 176.870 0.086 0.000 1.071 254 L CA 1.305 56.278 54.840 0.222 0.000 0.745 254 L CB -0.049 41.998 42.059 -0.020 0.000 0.892 254 L HN -0.059 nan 8.230 nan 0.000 0.431 255 R N -0.514 119.977 120.500 -0.015 0.000 2.127 255 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 255 R C 2.118 178.428 176.300 0.016 0.000 1.134 255 R CA 1.215 57.303 56.100 -0.021 0.000 0.975 255 R CB -0.664 29.621 30.300 -0.026 0.000 0.865 255 R HN 0.536 nan 8.270 nan 0.000 0.447 256 G N 0.432 109.269 108.800 0.063 0.000 2.402 256 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 256 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 256 G C 1.195 176.102 174.900 0.012 0.000 1.162 256 G CA 0.147 45.279 45.100 0.053 0.000 0.777 256 G HN 0.248 nan 8.290 nan 0.000 0.539 257 F N 1.288 121.124 119.950 -0.191 0.000 2.171 257 F HA 0.098 4.625 4.527 -0.000 0.000 0.300 257 F C 2.277 177.890 175.800 -0.312 0.000 1.090 257 F CA 0.852 58.590 58.000 -0.436 0.000 1.293 257 F CB -0.082 38.308 39.000 -1.017 0.000 1.013 257 F HN 0.006 nan 8.300 nan 0.000 0.486 258 L N 0.026 121.149 121.223 -0.167 0.000 2.549 258 L HA -0.073 4.267 4.340 -0.000 0.000 0.229 258 L C 0.545 177.291 176.870 -0.206 0.000 1.158 258 L CA 0.374 55.096 54.840 -0.195 0.000 0.842 258 L CB -0.811 41.225 42.059 -0.039 0.000 0.952 258 L HN 0.049 nan 8.230 nan 0.000 0.452 259 E N 0.155 120.241 120.200 -0.189 0.000 2.415 259 E HA 0.167 4.517 4.350 -0.000 0.000 0.263 259 E C 1.054 177.534 176.600 -0.200 0.000 0.995 259 E CA 0.633 56.943 56.400 -0.150 0.000 0.915 259 E CB 0.533 30.170 29.700 -0.106 0.000 0.951 259 E HN 0.301 nan 8.360 nan 0.000 0.449 260 G N 2.750 111.457 108.800 -0.155 0.000 2.194 260 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 260 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 260 G C 0.464 175.261 174.900 -0.171 0.000 0.987 260 G CA 0.330 45.335 45.100 -0.159 0.000 0.635 260 G HN 0.673 nan 8.290 nan 0.000 0.520 261 T N -1.618 112.825 114.554 -0.186 0.000 2.937 261 T HA 0.704 5.053 4.350 -0.000 0.000 0.283 261 T C 1.590 176.214 174.700 -0.128 0.000 1.012 261 T CA -0.236 61.759 62.100 -0.176 0.000 0.997 261 T CB 1.467 70.206 68.868 -0.214 0.000 1.136 261 T HN 0.320 nan 8.240 nan 0.000 0.551 262 L N 0.374 121.527 121.223 -0.117 0.000 2.456 262 L HA 0.137 4.477 4.340 -0.000 0.000 0.224 262 L C 2.483 179.286 176.870 -0.112 0.000 1.148 262 L CA 0.979 55.760 54.840 -0.098 0.000 0.825 262 L CB -0.627 41.382 42.059 -0.084 0.000 0.937 262 L HN 0.891 nan 8.230 nan 0.000 0.450 263 A N -1.040 121.715 122.820 -0.107 0.000 2.387 263 A HA 0.018 4.337 4.320 -0.000 0.000 0.234 263 A C 2.003 179.549 177.584 -0.064 0.000 1.253 263 A CA -0.154 51.811 52.037 -0.120 0.000 0.894 263 A CB -0.106 18.883 19.000 -0.018 0.000 0.963 263 A HN 0.343 nan 8.150 nan 0.000 0.508 264 E N 0.358 120.514 120.200 -0.072 0.000 2.023 264 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 264 E C 1.517 178.097 176.600 -0.033 0.000 1.003 264 E CA 1.805 58.173 56.400 -0.052 0.000 0.809 264 E CB 0.007 29.665 29.700 -0.071 0.000 0.755 264 E HN 0.521 nan 8.360 nan 0.000 0.449 265 S N 0.062 115.729 115.700 -0.054 0.000 2.503 265 S HA 0.105 4.575 4.470 -0.000 0.000 0.217 265 S C 1.840 176.401 174.600 -0.066 0.000 0.999 265 S CA -0.083 58.091 58.200 -0.044 0.000 0.914 265 S CB 0.115 63.289 63.200 -0.043 0.000 0.782 265 S HN 0.227 nan 8.310 nan 0.000 0.520 266 L N -0.174 120.963 121.223 -0.143 0.000 2.201 266 L HA 0.024 4.364 4.340 -0.000 0.000 0.212 266 L C 0.922 177.643 176.870 -0.248 0.000 1.105 266 L CA 1.040 55.730 54.840 -0.251 0.000 0.775 266 L CB -0.264 41.540 42.059 -0.425 0.000 0.913 266 L HN 0.279 nan 8.230 nan 0.000 0.440 267 F N -0.107 119.796 119.950 -0.078 0.000 2.668 267 F HA 0.444 4.971 4.527 -0.000 0.000 0.297 267 F C 0.706 176.463 175.800 -0.073 0.000 1.124 267 F CA -0.611 57.327 58.000 -0.105 0.000 1.353 267 F CB -0.234 38.679 39.000 -0.144 0.000 0.992 267 F HN -0.117 nan 8.300 nan 0.000 0.524 268 A N -1.657 121.226 122.820 0.105 0.000 2.587 268 A HA 0.705 5.025 4.320 -0.000 0.000 0.293 268 A C 0.808 178.419 177.584 0.046 0.000 1.087 268 A CA -0.081 52.001 52.037 0.075 0.000 0.692 268 A CB 1.053 20.085 19.000 0.054 0.000 1.291 268 A HN 0.542 nan 8.150 nan 0.000 0.407 269 G N -0.631 108.196 108.800 0.045 0.000 2.238 269 G HA2 0.190 4.150 3.960 -0.000 0.000 0.217 269 G HA3 0.190 4.150 3.960 -0.000 0.000 0.217 269 G C 0.347 175.266 174.900 0.030 0.000 0.996 269 G CA 0.695 45.813 45.100 0.030 0.000 0.632 269 G HN 2.560 nan 8.290 nan 0.000 0.503 270 S N -1.282 114.442 115.700 0.040 0.000 2.611 270 S HA 0.598 5.068 4.470 -0.000 0.000 0.268 270 S C 0.468 175.094 174.600 0.044 0.000 1.156 270 S CA 0.132 58.353 58.200 0.036 0.000 0.817 270 S CB 1.060 64.278 63.200 0.030 0.000 1.122 270 S HN -0.008 nan 8.310 nan 0.000 0.466 271 N N 0.952 119.673 118.700 0.034 0.000 2.223 271 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 271 N C 1.419 176.955 175.510 0.043 0.000 1.016 271 N CA 1.625 54.694 53.050 0.032 0.000 0.863 271 N CB -0.475 38.025 38.487 0.021 0.000 0.983 271 N HN 0.798 nan 8.380 nan 0.000 0.429 272 E N 0.999 121.226 120.200 0.045 0.000 2.106 272 E HA 0.048 4.398 4.350 -0.000 0.000 0.192 272 E C 1.747 178.371 176.600 0.042 0.000 0.984 272 E CA 1.066 57.497 56.400 0.051 0.000 0.806 272 E CB -0.280 29.453 29.700 0.055 0.000 0.750 272 E HN 0.291 nan 8.360 nan 0.000 0.458 273 A N -0.268 122.582 122.820 0.050 0.000 1.930 273 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 273 A C 2.402 180.061 177.584 0.126 0.000 1.175 273 A CA 1.727 53.809 52.037 0.074 0.000 0.627 273 A CB -0.579 18.466 19.000 0.074 0.000 0.815 273 A HN 0.266 nan 8.150 nan 0.000 0.443 274 S N -0.682 115.095 115.700 0.128 0.000 2.371 274 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 274 S C 2.001 176.699 174.600 0.164 0.000 1.029 274 S CA 1.499 59.829 58.200 0.217 0.000 0.978 274 S CB -0.179 63.119 63.200 0.163 0.000 0.833 274 S HN 0.693 nan 8.310 nan 0.000 0.466 275 K N 1.550 121.995 120.400 0.075 0.000 2.026 275 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 275 K C 2.222 178.836 176.600 0.023 0.000 1.048 275 K CA 1.193 57.510 56.287 0.050 0.000 0.929 275 K CB -0.387 32.147 32.500 0.057 0.000 0.713 275 K HN 0.265 nan 8.250 nan 0.000 0.439 276 A N 1.721 124.507 122.820 -0.057 0.000 1.883 276 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 276 A C 2.171 179.624 177.584 -0.219 0.000 1.186 276 A CA 1.534 53.368 52.037 -0.338 0.000 0.624 276 A CB -0.785 17.827 19.000 -0.646 0.000 0.822 276 A HN 0.450 nan 8.150 nan 0.000 0.444 277 L N -0.707 120.366 121.223 -0.250 0.000 2.046 277 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 277 L C 2.668 179.349 176.870 -0.315 0.000 1.077 277 L CA 2.144 56.558 54.840 -0.710 0.000 0.747 277 L CB -0.601 41.017 42.059 -0.736 0.000 0.896 277 L HN 0.422 nan 8.230 nan 0.000 0.432 278 T N -0.759 113.809 114.554 0.024 0.000 2.746 278 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 278 T C 1.996 176.673 174.700 -0.038 0.000 1.039 278 T CA 1.679 63.793 62.100 0.024 0.000 1.142 278 T CB -0.111 68.787 68.868 0.051 0.000 0.866 278 T HN 0.389 nan 8.240 nan 0.000 0.444 279 S N 1.459 117.173 115.700 0.023 0.000 2.370 279 S HA -0.065 4.404 4.470 -0.000 0.000 0.226 279 S C 2.568 177.245 174.600 0.128 0.000 1.033 279 S CA 0.973 59.206 58.200 0.054 0.000 1.011 279 S CB -0.567 62.705 63.200 0.121 0.000 0.852 279 S HN 0.600 nan 8.310 nan 0.000 0.457 280 A N 2.401 125.269 122.820 0.079 0.000 1.902 280 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 280 A C 2.200 179.757 177.584 -0.044 0.000 1.181 280 A CA 1.103 53.175 52.037 0.058 0.000 0.623 280 A CB -0.428 18.516 19.000 -0.093 0.000 0.818 280 A HN 0.306 nan 8.150 nan 0.000 0.443 281 R N -1.348 119.044 120.500 -0.179 0.000 2.080 281 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 281 R C 1.895 178.082 176.300 -0.188 0.000 1.137 281 R CA 1.579 57.526 56.100 -0.254 0.000 0.943 281 R CB -1.015 29.055 30.300 -0.384 0.000 0.846 281 R HN 0.547 nan 8.270 nan 0.000 0.431 282 F N 0.793 120.698 119.950 -0.075 0.000 2.126 282 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 282 F C 2.619 178.406 175.800 -0.021 0.000 1.096 282 F CA 0.882 58.842 58.000 -0.067 0.000 1.255 282 F CB -0.947 37.981 39.000 -0.119 0.000 0.997 282 F HN -0.233 nan 8.300 nan 0.000 0.479 283 V N -0.465 119.570 119.914 0.201 0.000 2.295 283 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 283 V C 2.342 178.503 176.094 0.112 0.000 1.049 283 V CA 1.387 63.786 62.300 0.165 0.000 1.024 283 V CB -0.617 31.316 31.823 0.183 0.000 0.648 283 V HN 0.176 nan 8.190 nan 0.000 0.447 284 L N 0.794 122.057 121.223 0.067 0.000 2.093 284 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 284 L C 2.705 179.624 176.870 0.082 0.000 1.085 284 L CA 2.213 57.081 54.840 0.047 0.000 0.755 284 L CB -1.132 40.925 42.059 -0.004 0.000 0.904 284 L HN 0.560 nan 8.230 nan 0.000 0.435 285 S N -1.759 113.969 115.700 0.046 0.000 2.469 285 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 285 S C 1.514 176.236 174.600 0.203 0.000 0.998 285 S CA 1.202 59.458 58.200 0.093 0.000 0.957 285 S CB -0.283 62.936 63.200 0.032 0.000 0.764 285 S HN 0.419 nan 8.310 nan 0.000 0.514 286 D N 1.106 121.604 120.400 0.164 0.000 2.262 286 D HA 0.119 4.759 4.640 -0.000 0.000 0.212 286 D C 1.945 178.327 176.300 0.137 0.000 0.964 286 D CA 0.730 54.817 54.000 0.144 0.000 0.875 286 D CB 0.027 40.897 40.800 0.116 0.000 0.996 286 D HN 0.288 nan 8.370 nan 0.000 0.497 287 K N 0.664 121.143 120.400 0.131 0.000 2.128 287 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 287 K C 2.371 179.087 176.600 0.194 0.000 1.050 287 K CA 0.141 56.501 56.287 0.123 0.000 0.966 287 K CB -0.503 32.032 32.500 0.059 0.000 0.759 287 K HN 0.178 nan 8.250 nan 0.000 0.454 288 L N 1.181 122.527 121.223 0.204 0.000 2.083 288 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 288 L C -0.681 176.335 176.870 0.244 0.000 1.083 288 L CA 1.012 56.014 54.840 0.270 0.000 0.752 288 L CB -1.666 40.637 42.059 0.407 0.000 0.899 288 L HN 0.053 nan 8.230 nan 0.000 0.433 289 P HA -0.255 nan 4.420 nan 0.000 0.219 289 P C 1.325 178.597 177.300 -0.046 0.000 1.161 289 P CA 1.555 64.597 63.100 -0.096 0.000 0.909 289 P CB 0.107 31.833 31.700 0.043 0.000 0.793 290 E N -2.434 117.797 120.200 0.052 0.000 2.274 290 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 290 E C 1.736 178.336 176.600 0.000 0.000 0.996 290 E CA 1.013 57.420 56.400 0.011 0.000 0.840 290 E CB -0.708 28.970 29.700 -0.036 0.000 0.772 290 E HN 0.424 nan 8.360 nan 0.000 0.491 291 H N -1.563 117.532 119.070 0.041 0.000 2.428 291 H HA -0.003 4.553 4.556 -0.000 0.000 0.296 291 H C 1.819 177.218 175.328 0.119 0.000 1.062 291 H CA 1.275 57.409 56.048 0.144 0.000 1.350 291 H CB 0.203 30.083 29.762 0.198 0.000 1.403 291 H HN 0.006 nan 8.280 nan 0.000 0.533 292 V N 0.071 120.067 119.914 0.136 0.000 2.379 292 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 292 V C 2.532 178.626 176.094 -0.000 0.000 1.044 292 V CA 2.018 64.333 62.300 0.025 0.000 1.036 292 V CB -0.660 31.037 31.823 -0.210 0.000 0.664 292 V HN 0.670 nan 8.190 nan 0.000 0.453 293 T N -3.043 111.494 114.554 -0.028 0.000 3.023 293 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 293 T C 1.028 175.699 174.700 -0.048 0.000 1.093 293 T CA 0.270 62.346 62.100 -0.039 0.000 1.129 293 T CB -0.245 68.602 68.868 -0.035 0.000 0.899 293 T HN 0.127 nan 8.240 nan 0.000 0.491 294 M N 2.981 122.584 119.600 0.005 0.000 2.260 294 M HA 0.215 4.695 4.480 -0.000 0.000 0.348 294 M C -2.379 173.974 176.300 0.089 0.000 1.342 294 M CA -2.117 53.221 55.300 0.063 0.000 1.040 294 M CB 0.409 33.142 32.600 0.222 0.000 1.810 294 M HN 0.027 nan 8.290 nan 0.000 0.453 295 P HA -0.014 nan 4.420 nan 0.000 0.261 295 P C -1.267 176.100 177.300 0.113 0.000 1.183 295 P CA 0.048 63.186 63.100 0.063 0.000 0.761 295 P CB 0.095 31.820 31.700 0.042 0.000 0.785 296 D N 1.638 122.090 120.400 0.086 0.000 2.345 296 D HA 0.540 5.180 4.640 -0.000 0.000 0.247 296 D C 0.708 177.060 176.300 0.087 0.000 1.108 296 D CA -0.572 53.482 54.000 0.090 0.000 0.894 296 D CB 0.725 41.554 40.800 0.049 0.000 1.203 296 D HN 0.438 nan 8.370 nan 0.000 0.430 297 G N 0.049 108.911 108.800 0.103 0.000 2.561 297 G HA2 0.312 4.272 3.960 -0.000 0.000 0.310 297 G HA3 0.312 4.272 3.960 -0.000 0.000 0.310 297 G C -0.886 174.078 174.900 0.106 0.000 1.292 297 G CA -0.699 44.466 45.100 0.108 0.000 0.811 297 G HN 0.378 nan 8.290 nan 0.000 0.482 298 D N -0.495 119.983 120.400 0.130 0.000 2.431 298 D HA 0.210 4.850 4.640 -0.000 0.000 0.213 298 D C 0.083 176.486 176.300 0.172 0.000 1.130 298 D CA -0.326 53.737 54.000 0.105 0.000 0.834 298 D CB 0.294 41.135 40.800 0.068 0.000 0.985 298 D HN 0.130 nan 8.370 nan 0.000 0.504 299 F N 1.964 121.984 119.950 0.118 0.000 2.578 299 F HA 0.199 4.726 4.527 -0.000 0.000 0.376 299 F C 0.407 176.359 175.800 0.253 0.000 1.085 299 F CA -0.077 58.017 58.000 0.156 0.000 1.260 299 F CB 0.767 39.843 39.000 0.125 0.000 1.095 299 F HN -0.287 nan 8.300 nan 0.000 0.573 300 S N 6.917 122.276 115.700 -0.569 0.000 2.605 300 S HA 0.426 4.896 4.470 -0.000 0.000 0.308 300 S C 0.995 175.218 174.600 -0.629 0.000 1.113 300 S CA -0.877 57.110 58.200 -0.355 0.000 1.049 300 S CB 0.564 63.662 63.200 -0.171 0.000 1.001 300 S HN 0.695 nan 8.310 nan 0.000 0.480 301 I N 4.544 124.917 120.570 -0.328 0.000 2.361 301 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 301 I C 2.583 178.756 176.117 0.093 0.000 1.133 301 I CA 0.908 62.121 61.300 -0.146 0.000 1.413 301 I CB -0.244 37.755 38.000 -0.002 0.000 1.073 301 I HN 0.652 nan 8.210 nan 0.000 0.424 302 R N 0.688 121.212 120.500 0.039 0.000 2.070 302 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 302 R C 2.542 178.868 176.300 0.042 0.000 1.138 302 R CA 1.856 57.997 56.100 0.069 0.000 0.936 302 R CB -0.613 29.707 30.300 0.034 0.000 0.839 302 R HN 0.247 nan 8.270 nan 0.000 0.429 303 S N 0.451 116.143 115.700 -0.014 0.000 2.370 303 S HA -0.203 4.266 4.470 -0.000 0.000 0.226 303 S C 1.403 176.013 174.600 0.017 0.000 1.033 303 S CA 1.377 59.567 58.200 -0.016 0.000 1.011 303 S CB -0.389 62.787 63.200 -0.041 0.000 0.852 303 S HN 0.490 nan 8.310 nan 0.000 0.457 304 W N 2.313 123.511 121.300 -0.170 0.000 2.338 304 W HA -0.076 4.584 4.660 -0.000 0.000 0.304 304 W C 1.595 178.110 176.519 -0.006 0.000 1.212 304 W CA 1.031 58.334 57.345 -0.070 0.000 1.264 304 W CB -0.492 28.917 29.460 -0.085 0.000 1.142 304 W HN 0.191 nan 8.180 nan 0.000 0.512 305 L N 0.473 121.696 121.223 0.000 0.000 2.191 305 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 305 L C 2.261 178.995 176.870 -0.226 0.000 1.103 305 L CA 1.657 56.377 54.840 -0.200 0.000 0.769 305 L CB -0.641 41.459 42.059 0.068 0.000 0.908 305 L HN 0.078 nan 8.230 nan 0.000 0.438 306 E N -0.925 119.195 120.200 -0.134 0.000 2.230 306 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 306 E C 0.455 176.976 176.600 -0.132 0.000 0.987 306 E CA 0.051 56.389 56.400 -0.104 0.000 0.841 306 E CB 0.110 29.781 29.700 -0.049 0.000 0.783 306 E HN 0.235 nan 8.360 nan 0.000 0.481 307 D N 0.896 121.193 120.400 -0.173 0.000 2.338 307 D HA 0.017 4.657 4.640 -0.000 0.000 0.255 307 D C -1.841 174.336 176.300 -0.206 0.000 1.237 307 D CA -2.195 51.715 54.000 -0.149 0.000 0.883 307 D CB 1.297 42.035 40.800 -0.103 0.000 1.087 307 D HN -0.175 nan 8.370 nan 0.000 0.485 308 P HA -0.083 nan 4.420 nan 0.000 0.217 308 P C 0.721 177.962 177.300 -0.099 0.000 1.150 308 P CA 0.671 63.700 63.100 -0.118 0.000 0.832 308 P CB 0.225 31.884 31.700 -0.069 0.000 0.787 309 N N -0.629 118.033 118.700 -0.063 0.000 2.327 309 N HA 0.038 4.778 4.740 -0.000 0.000 0.231 309 N C 1.365 176.877 175.510 0.003 0.000 1.130 309 N CA 0.110 53.149 53.050 -0.018 0.000 0.845 309 N CB -0.202 38.289 38.487 0.007 0.000 1.073 309 N HN 0.009 nan 8.380 nan 0.000 0.496 310 G N -0.341 108.416 108.800 -0.071 0.000 2.511 310 G HA2 0.217 4.176 3.960 -0.000 0.000 0.217 310 G HA3 0.217 4.176 3.960 -0.000 0.000 0.217 310 G C 0.844 175.886 174.900 0.236 0.000 1.133 310 G CA 0.592 45.699 45.100 0.011 0.000 0.792 310 G HN 0.571 nan 8.290 nan 0.000 0.539 311 G N -0.019 108.862 108.800 0.135 0.000 2.527 311 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.227 311 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.227 311 G C -0.573 174.566 174.900 0.398 0.000 1.291 311 G CA -0.149 45.096 45.100 0.242 0.000 0.904 311 G HN 0.541 nan 8.290 nan 0.000 0.577 312 N N -0.329 118.601 118.700 0.383 0.000 2.404 312 N HA 0.660 5.400 4.740 -0.000 0.000 0.297 312 N C -0.755 174.816 175.510 0.101 0.000 1.163 312 N CA -0.566 52.672 53.050 0.312 0.000 0.864 312 N CB 2.169 40.638 38.487 -0.031 0.000 1.247 312 N HN 0.647 nan 8.380 nan 0.000 0.510 313 L N 1.310 122.401 121.223 -0.219 0.000 2.313 313 L HA 0.518 4.858 4.340 -0.000 0.000 0.283 313 L C -1.371 175.202 176.870 -0.495 0.000 1.013 313 L CA -0.695 53.841 54.840 -0.507 0.000 0.816 313 L CB 0.647 42.135 42.059 -0.952 0.000 1.236 313 L HN 0.400 nan 8.230 nan 0.000 0.419 314 F N 5.487 125.326 119.950 -0.186 0.000 2.375 314 F HA 0.427 4.954 4.527 -0.000 0.000 0.361 314 F C 0.202 175.939 175.800 -0.105 0.000 1.117 314 F CA -0.403 57.541 58.000 -0.093 0.000 1.037 314 F CB 1.351 40.317 39.000 -0.057 0.000 1.192 314 F HN 0.229 nan 8.300 nan 0.000 0.452 315 I N 4.052 124.703 120.570 0.135 0.000 2.287 315 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 315 I C 0.298 176.678 176.117 0.439 0.000 1.069 315 I CA -0.233 61.181 61.300 0.190 0.000 1.237 315 I CB 0.379 38.528 38.000 0.247 0.000 1.418 315 I HN 0.583 nan 8.210 nan 0.000 0.481 316 T N 1.982 116.767 114.554 0.384 0.000 2.948 316 T HA 0.790 5.140 4.350 -0.000 0.000 0.285 316 T C -0.931 174.113 174.700 0.575 0.000 1.019 316 T CA -0.703 61.612 62.100 0.358 0.000 1.013 316 T CB 1.987 70.949 68.868 0.156 0.000 1.117 316 T HN 0.689 nan 8.240 nan 0.000 0.533 317 W N -0.983 120.357 121.300 0.067 0.000 3.338 317 W HA 0.603 5.263 4.660 -0.000 0.000 0.299 317 W C -1.549 174.919 176.519 -0.085 0.000 1.226 317 W CA -1.230 56.127 57.345 0.020 0.000 1.183 317 W CB 0.699 30.201 29.460 0.070 0.000 1.360 317 W HN 0.802 nan 8.180 nan 0.000 0.569 318 R N 2.227 122.656 120.500 -0.119 0.000 2.490 318 R HA 0.137 4.477 4.340 -0.000 0.000 0.280 318 R C 1.455 177.703 176.300 -0.086 0.000 1.077 318 R CA -0.025 55.918 56.100 -0.261 0.000 1.065 318 R CB 0.872 30.955 30.300 -0.362 0.000 1.003 318 R HN 0.642 nan 8.270 nan 0.000 0.470 319 E N 1.701 121.811 120.200 -0.150 0.000 2.204 319 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 319 E C 0.617 177.246 176.600 0.049 0.000 0.990 319 E CA 1.247 57.633 56.400 -0.024 0.000 0.821 319 E CB 0.098 29.757 29.700 -0.068 0.000 0.750 319 E HN 0.648 nan 8.360 nan 0.000 0.477 320 D N -0.330 120.068 120.400 -0.004 0.000 2.363 320 D HA -0.099 4.541 4.640 -0.000 0.000 0.226 320 D C 1.227 177.536 176.300 0.015 0.000 1.020 320 D CA 0.368 54.368 54.000 -0.000 0.000 0.892 320 D CB -0.122 40.658 40.800 -0.033 0.000 0.900 320 D HN 0.185 nan 8.370 nan 0.000 0.531 321 M N -0.261 119.379 119.600 0.067 0.000 2.502 321 M HA 0.311 4.791 4.480 -0.000 0.000 0.351 321 M C 1.618 177.993 176.300 0.126 0.000 1.118 321 M CA -0.224 55.117 55.300 0.069 0.000 0.952 321 M CB 1.699 34.321 32.600 0.037 0.000 1.424 321 M HN 0.043 nan 8.290 nan 0.000 0.529 322 G N 2.663 111.572 108.800 0.182 0.000 2.433 322 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 322 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 322 G C -0.549 174.347 174.900 -0.008 0.000 1.186 322 G CA 0.753 45.934 45.100 0.136 0.000 0.779 322 G HN 0.310 nan 8.290 nan 0.000 0.543 323 P HA -0.082 nan 4.420 nan 0.000 0.215 323 P C 2.004 179.292 177.300 -0.021 0.000 1.153 323 P CA 2.062 65.158 63.100 -0.006 0.000 0.853 323 P CB -0.187 31.520 31.700 0.012 0.000 0.788 324 A N -0.107 122.707 122.820 -0.010 0.000 1.930 324 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 324 A C 2.282 179.847 177.584 -0.032 0.000 1.175 324 A CA 1.132 53.168 52.037 -0.002 0.000 0.627 324 A CB -1.343 17.668 19.000 0.017 0.000 0.815 324 A HN 0.175 nan 8.150 nan 0.000 0.443 325 L N -1.467 119.706 121.223 -0.083 0.000 2.607 325 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 325 L C 2.270 178.957 176.870 -0.305 0.000 1.123 325 L CA -0.027 54.702 54.840 -0.185 0.000 0.890 325 L CB -0.180 41.762 42.059 -0.195 0.000 1.103 325 L HN 0.393 nan 8.230 nan 0.000 0.468 326 R N 1.286 121.648 120.500 -0.230 0.000 2.083 326 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 326 R C -0.429 175.752 176.300 -0.198 0.000 1.137 326 R CA 1.759 57.723 56.100 -0.226 0.000 0.951 326 R CB -0.817 29.408 30.300 -0.125 0.000 0.851 326 R HN 0.232 nan 8.270 nan 0.000 0.434 327 P HA -0.192 nan 4.420 nan 0.000 0.216 327 P C 1.506 178.700 177.300 -0.178 0.000 1.153 327 P CA 1.211 64.254 63.100 -0.094 0.000 0.848 327 P CB -0.100 31.596 31.700 -0.006 0.000 0.787 328 L N -0.627 120.390 121.223 -0.344 0.000 2.027 328 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 328 L C 2.612 178.910 176.870 -0.953 0.000 1.074 328 L CA 1.502 55.895 54.840 -0.745 0.000 0.745 328 L CB -0.531 40.999 42.059 -0.882 0.000 0.898 328 L HN -0.155 nan 8.230 nan 0.000 0.433 329 I N -1.123 119.047 120.570 -0.665 0.000 2.493 329 I HA -0.234 3.936 4.170 -0.000 0.000 0.254 329 I C 2.462 178.453 176.117 -0.211 0.000 1.160 329 I CA 0.695 61.745 61.300 -0.416 0.000 1.445 329 I CB -0.116 37.605 38.000 -0.465 0.000 1.086 329 I HN 0.164 nan 8.210 nan 0.000 0.433 330 S N 0.814 116.390 115.700 -0.208 0.000 2.368 330 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 330 S C 2.323 176.904 174.600 -0.031 0.000 1.029 330 S CA 1.229 59.382 58.200 -0.079 0.000 0.988 330 S CB -0.282 62.877 63.200 -0.067 0.000 0.838 330 S HN 0.532 nan 8.310 nan 0.000 0.462 331 A N 1.301 124.062 122.820 -0.100 0.000 1.908 331 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 331 A C 1.886 179.510 177.584 0.067 0.000 1.181 331 A CA 1.369 53.404 52.037 -0.004 0.000 0.627 331 A CB -0.847 18.157 19.000 0.007 0.000 0.818 331 A HN 0.627 nan 8.150 nan 0.000 0.445 332 W N -0.098 121.144 121.300 -0.097 0.000 2.381 332 W HA -0.060 4.600 4.660 -0.000 0.000 0.301 332 W C 2.308 178.798 176.519 -0.048 0.000 1.205 332 W CA 1.066 58.305 57.345 -0.176 0.000 1.285 332 W CB -1.322 27.962 29.460 -0.294 0.000 1.133 332 W HN 0.185 nan 8.180 nan 0.000 0.521 333 V N 0.269 120.310 119.914 0.211 0.000 2.490 333 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 333 V C 1.722 177.909 176.094 0.155 0.000 1.061 333 V CA 2.379 64.777 62.300 0.163 0.000 1.064 333 V CB -0.943 30.959 31.823 0.131 0.000 0.670 333 V HN 0.006 nan 8.190 nan 0.000 0.461 334 D N -0.450 120.044 120.400 0.156 0.000 2.213 334 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 334 D C 2.006 178.437 176.300 0.219 0.000 0.961 334 D CA 0.639 54.733 54.000 0.157 0.000 0.853 334 D CB 0.139 41.019 40.800 0.133 0.000 0.967 334 D HN 0.183 nan 8.370 nan 0.000 0.496 335 V N -0.189 119.901 119.914 0.295 0.000 2.407 335 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 335 V C 2.398 178.689 176.094 0.327 0.000 1.055 335 V CA 1.054 63.608 62.300 0.423 0.000 1.049 335 V CB -0.168 31.904 31.823 0.416 0.000 0.662 335 V HN 0.160 nan 8.190 nan 0.000 0.455 336 V N -1.208 118.847 119.914 0.235 0.000 2.427 336 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 336 V C 2.486 178.682 176.094 0.170 0.000 1.051 336 V CA 2.085 64.507 62.300 0.202 0.000 1.048 336 V CB -0.629 31.300 31.823 0.176 0.000 0.666 336 V HN 0.644 nan 8.190 nan 0.000 0.456 337 C N 0.545 119.932 119.300 0.144 0.000 2.429 337 C HA -0.138 4.321 4.460 -0.000 0.000 0.277 337 C C 3.006 178.048 174.990 0.086 0.000 1.262 337 C CA 1.760 60.835 59.018 0.094 0.000 1.733 337 C CB -1.250 26.533 27.740 0.072 0.000 2.010 337 C HN 0.765 nan 8.230 nan 0.000 0.483 338 T N -1.082 113.537 114.554 0.108 0.000 2.852 338 T HA -0.070 4.280 4.350 -0.000 0.000 0.256 338 T C 1.838 176.608 174.700 0.117 0.000 1.038 338 T CA 1.479 63.620 62.100 0.068 0.000 1.141 338 T CB -0.568 68.283 68.868 -0.029 0.000 0.869 338 T HN 0.431 nan 8.240 nan 0.000 0.439 339 S N 2.645 118.472 115.700 0.211 0.000 2.372 339 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 339 S C 2.098 176.786 174.600 0.148 0.000 1.044 339 S CA 1.782 60.121 58.200 0.231 0.000 1.050 339 S CB -0.790 62.575 63.200 0.274 0.000 0.901 339 S HN 0.794 nan 8.310 nan 0.000 0.447 340 I N -0.884 119.760 120.570 0.123 0.000 2.700 340 I HA -0.062 4.108 4.170 -0.000 0.000 0.261 340 I C 1.539 177.690 176.117 0.056 0.000 1.219 340 I CA 1.048 62.396 61.300 0.081 0.000 1.463 340 I CB -0.332 37.709 38.000 0.068 0.000 1.092 340 I HN 0.088 nan 8.210 nan 0.000 0.452 341 L N 0.587 121.847 121.223 0.062 0.000 2.395 341 L HA 0.039 4.379 4.340 -0.000 0.000 0.218 341 L C 2.200 179.101 176.870 0.052 0.000 1.130 341 L CA 1.245 56.111 54.840 0.043 0.000 0.826 341 L CB -0.829 41.253 42.059 0.037 0.000 0.941 341 L HN 0.267 nan 8.230 nan 0.000 0.451 342 S N -1.234 114.511 115.700 0.076 0.000 2.535 342 S HA 0.250 4.720 4.470 -0.000 0.000 0.214 342 S C 0.773 175.408 174.600 0.057 0.000 0.980 342 S CA -0.369 57.882 58.200 0.085 0.000 0.907 342 S CB 0.066 63.343 63.200 0.127 0.000 0.790 342 S HN 0.154 nan 8.310 nan 0.000 0.510 343 L N 4.190 125.438 121.223 0.042 0.000 2.455 343 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 343 L C -1.850 175.025 176.870 0.008 0.000 1.174 343 L CA -1.442 53.409 54.840 0.019 0.000 0.869 343 L CB -0.138 41.925 42.059 0.007 0.000 1.130 343 L HN 0.059 nan 8.230 nan 0.000 0.474 344 P HA 0.015 nan 4.420 nan 0.000 0.268 344 P C -0.473 176.820 177.300 -0.011 0.000 1.205 344 P CA -0.342 62.757 63.100 -0.003 0.000 0.771 344 P CB 0.602 32.299 31.700 -0.004 0.000 0.858 345 E N 1.695 121.888 120.200 -0.013 0.000 2.652 345 E HA -0.097 4.253 4.350 -0.000 0.000 0.255 345 E C 0.046 176.633 176.600 -0.023 0.000 0.952 345 E CA 1.040 57.429 56.400 -0.019 0.000 0.947 345 E CB 0.251 29.940 29.700 -0.019 0.000 0.912 345 E HN 0.389 nan 8.360 nan 0.000 0.489 346 E N 5.166 125.349 120.200 -0.029 0.000 2.432 346 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 346 E C -2.479 174.099 176.600 -0.036 0.000 0.937 346 E CA -1.899 54.482 56.400 -0.031 0.000 0.812 346 E CB 1.250 30.929 29.700 -0.035 0.000 1.377 346 E HN 0.074 nan 8.360 nan 0.000 0.399 347 P HA -0.103 nan 4.420 nan 0.000 0.221 347 P C 0.797 178.075 177.300 -0.037 0.000 1.145 347 P CA 0.686 63.764 63.100 -0.036 0.000 0.795 347 P CB 0.407 32.089 31.700 -0.030 0.000 0.775 348 K N -0.927 119.454 120.400 -0.033 0.000 2.379 348 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 348 K C 0.846 177.427 176.600 -0.033 0.000 1.031 348 K CA -0.037 56.233 56.287 -0.029 0.000 1.037 348 K CB -0.053 32.433 32.500 -0.023 0.000 0.824 348 K HN 0.137 nan 8.250 nan 0.000 0.516 349 R N 0.975 121.449 120.500 -0.043 0.000 2.438 349 R HA 0.144 4.484 4.340 -0.000 0.000 0.287 349 R C -0.697 175.566 176.300 -0.062 0.000 1.077 349 R CA 0.076 56.146 56.100 -0.050 0.000 1.034 349 R CB 0.478 30.743 30.300 -0.057 0.000 0.993 349 R HN -0.147 nan 8.270 nan 0.000 0.459 350 R N 4.483 124.952 120.500 -0.051 0.000 2.507 350 R HA 0.326 4.666 4.340 -0.000 0.000 0.298 350 R C -1.407 174.864 176.300 -0.048 0.000 1.087 350 R CA -0.656 55.393 56.100 -0.085 0.000 0.917 350 R CB 1.507 31.797 30.300 -0.017 0.000 1.173 350 R HN 0.321 nan 8.270 nan 0.000 0.472 351 L N 4.074 125.226 121.223 -0.118 0.000 2.356 351 L HA 0.538 4.878 4.340 -0.000 0.000 0.277 351 L C -1.422 175.422 176.870 -0.044 0.000 0.996 351 L CA -0.541 54.305 54.840 0.010 0.000 0.822 351 L CB 1.125 43.201 42.059 0.028 0.000 1.256 351 L HN 0.630 nan 8.230 nan 0.000 0.413 352 W N 5.431 126.803 121.300 0.120 0.000 2.438 352 W HA 0.528 5.188 4.660 -0.000 0.000 0.324 352 W C -0.250 176.352 176.519 0.137 0.000 1.119 352 W CA -0.424 56.982 57.345 0.101 0.000 1.221 352 W CB 1.297 30.884 29.460 0.212 0.000 1.253 352 W HN 0.271 nan 8.180 nan 0.000 0.555 353 L N 3.885 125.258 121.223 0.249 0.000 2.318 353 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 353 L C -1.437 175.504 176.870 0.118 0.000 1.008 353 L CA -0.831 54.135 54.840 0.210 0.000 0.846 353 L CB 0.376 42.511 42.059 0.127 0.000 1.220 353 L HN 0.311 nan 8.230 nan 0.000 0.423 354 F N 5.664 125.727 119.950 0.189 0.000 2.335 354 F HA 0.368 4.895 4.527 -0.000 0.000 0.365 354 F C 0.439 176.330 175.800 0.152 0.000 1.122 354 F CA -0.260 57.835 58.000 0.158 0.000 1.151 354 F CB 0.769 39.819 39.000 0.084 0.000 1.282 354 F HN 0.262 nan 8.300 nan 0.000 0.513 355 I N 3.671 124.383 120.570 0.237 0.000 2.287 355 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 355 I C 1.000 177.244 176.117 0.211 0.000 1.069 355 I CA -0.286 61.146 61.300 0.220 0.000 1.237 355 I CB 0.727 38.831 38.000 0.175 0.000 1.418 355 I HN 0.514 nan 8.210 nan 0.000 0.481 356 D N 4.721 125.272 120.400 0.251 0.000 2.469 356 D HA -0.259 4.381 4.640 -0.000 0.000 0.216 356 D C 0.592 176.988 176.300 0.159 0.000 1.104 356 D CA 1.889 56.016 54.000 0.212 0.000 0.950 356 D CB 0.346 41.293 40.800 0.244 0.000 1.283 356 D HN 0.414 nan 8.370 nan 0.000 0.502 357 E N -0.653 119.651 120.200 0.172 0.000 2.101 357 E HA 0.204 4.553 4.350 -0.000 0.000 0.260 357 E C 0.434 177.107 176.600 0.122 0.000 0.897 357 E CA -0.305 56.169 56.400 0.124 0.000 0.744 357 E CB 1.019 30.794 29.700 0.125 0.000 1.140 357 E HN 0.225 nan 8.360 nan 0.000 0.419 358 L N 3.974 125.250 121.223 0.088 0.000 2.051 358 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 358 L C 1.634 178.591 176.870 0.145 0.000 1.076 358 L CA 2.586 57.487 54.840 0.103 0.000 0.758 358 L CB -0.408 41.673 42.059 0.036 0.000 0.890 358 L HN 0.608 nan 8.230 nan 0.000 0.433 359 A N -2.613 120.279 122.820 0.121 0.000 2.235 359 A HA 0.039 4.359 4.320 -0.000 0.000 0.208 359 A C 2.232 179.879 177.584 0.105 0.000 1.172 359 A CA 1.069 53.189 52.037 0.138 0.000 0.786 359 A CB -0.442 18.620 19.000 0.103 0.000 0.804 359 A HN 0.449 nan 8.150 nan 0.000 0.479 360 S N -0.640 115.122 115.700 0.103 0.000 2.524 360 S HA 0.325 4.795 4.470 -0.000 0.000 0.216 360 S C 0.631 175.260 174.600 0.048 0.000 0.987 360 S CA -0.167 58.085 58.200 0.086 0.000 0.909 360 S CB -0.184 63.094 63.200 0.130 0.000 0.781 360 S HN 0.492 nan 8.310 nan 0.000 0.521 361 L N 1.130 122.389 121.223 0.060 0.000 2.431 361 L HA 0.439 4.779 4.340 -0.000 0.000 0.260 361 L C 0.718 177.590 176.870 0.004 0.000 1.098 361 L CA -0.695 54.156 54.840 0.018 0.000 0.800 361 L CB 0.577 42.671 42.059 0.059 0.000 1.210 361 L HN 0.059 nan 8.230 nan 0.000 0.465 362 E N 0.194 120.373 120.200 -0.035 0.000 2.605 362 E HA 0.035 4.385 4.350 -0.000 0.000 0.255 362 E C -0.408 176.107 176.600 -0.143 0.000 1.369 362 E CA -0.285 56.067 56.400 -0.080 0.000 1.017 362 E CB 0.508 30.167 29.700 -0.069 0.000 1.086 362 E HN 0.263 nan 8.360 nan 0.000 0.605 363 K N 1.773 122.004 120.400 -0.282 0.000 2.278 363 K HA 0.112 4.432 4.320 -0.000 0.000 0.289 363 K C -0.799 175.689 176.600 -0.186 0.000 1.080 363 K CA -0.104 55.845 56.287 -0.564 0.000 0.934 363 K CB -0.278 31.877 32.500 -0.576 0.000 1.093 363 K HN 0.351 nan 8.250 nan 0.000 0.459 364 L N 4.014 125.264 121.223 0.045 0.000 2.410 364 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 364 L C 1.416 178.365 176.870 0.132 0.000 1.152 364 L CA -0.389 54.526 54.840 0.125 0.000 0.855 364 L CB 1.137 43.305 42.059 0.183 0.000 1.129 364 L HN 0.773 nan 8.230 nan 0.000 0.463 365 A N 2.180 125.042 122.820 0.071 0.000 1.970 365 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 365 A C 1.967 179.581 177.584 0.050 0.000 1.170 365 A CA 1.301 53.369 52.037 0.052 0.000 0.645 365 A CB -0.090 18.924 19.000 0.023 0.000 0.816 365 A HN 0.756 nan 8.150 nan 0.000 0.447 366 S N -0.515 115.217 115.700 0.053 0.000 2.524 366 S HA 0.219 4.689 4.470 -0.000 0.000 0.215 366 S C 1.509 176.126 174.600 0.027 0.000 0.986 366 S CA -0.246 57.975 58.200 0.035 0.000 0.911 366 S CB 0.073 63.295 63.200 0.035 0.000 0.805 366 S HN 0.457 nan 8.310 nan 0.000 0.501 367 L N 2.061 123.312 121.223 0.047 0.000 2.012 367 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 367 L C 2.573 179.408 176.870 -0.058 0.000 1.073 367 L CA 1.926 56.771 54.840 0.008 0.000 0.748 367 L CB -0.962 41.130 42.059 0.055 0.000 0.891 367 L HN 0.400 nan 8.230 nan 0.000 0.431 368 A N -0.244 122.558 122.820 -0.031 0.000 1.883 368 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 368 A C 1.858 179.402 177.584 -0.067 0.000 1.186 368 A CA 2.063 54.064 52.037 -0.060 0.000 0.624 368 A CB -0.613 18.376 19.000 -0.020 0.000 0.822 368 A HN 0.520 nan 8.150 nan 0.000 0.444 369 D N -0.136 120.241 120.400 -0.039 0.000 2.144 369 D HA 0.002 4.642 4.640 -0.000 0.000 0.200 369 D C 2.202 178.474 176.300 -0.046 0.000 0.978 369 D CA 1.330 55.309 54.000 -0.035 0.000 0.833 369 D CB -0.366 40.422 40.800 -0.019 0.000 0.961 369 D HN 0.446 nan 8.370 nan 0.000 0.470 370 A N 0.858 123.644 122.820 -0.056 0.000 1.930 370 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 370 A C 2.293 179.804 177.584 -0.121 0.000 1.175 370 A CA 0.739 52.736 52.037 -0.066 0.000 0.627 370 A CB -0.648 18.317 19.000 -0.058 0.000 0.815 370 A HN 0.196 nan 8.150 nan 0.000 0.443 371 L N -1.299 119.790 121.223 -0.224 0.000 2.478 371 L HA -0.024 4.316 4.340 -0.000 0.000 0.223 371 L C 2.156 178.992 176.870 -0.057 0.000 1.140 371 L CA 1.190 55.813 54.840 -0.362 0.000 0.842 371 L CB -0.187 41.525 42.059 -0.578 0.000 0.953 371 L HN 0.305 nan 8.230 nan 0.000 0.452 372 T N -1.261 113.261 114.554 -0.054 0.000 2.978 372 T HA 0.092 4.442 4.350 -0.000 0.000 0.248 372 T C 1.210 175.899 174.700 -0.018 0.000 1.018 372 T CA 0.402 62.484 62.100 -0.029 0.000 1.026 372 T CB 0.405 69.248 68.868 -0.042 0.000 1.032 372 T HN 0.215 nan 8.240 nan 0.000 0.485 373 K N 0.435 120.825 120.400 -0.017 0.000 2.536 373 K HA 0.340 4.660 4.320 -0.000 0.000 0.203 373 K C 1.427 178.019 176.600 -0.013 0.000 1.063 373 K CA -0.158 56.119 56.287 -0.017 0.000 1.063 373 K CB 1.044 33.533 32.500 -0.019 0.000 0.843 373 K HN 0.115 nan 8.250 nan 0.000 0.521 374 G N 0.905 109.705 108.800 -0.000 0.000 2.939 374 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.210 374 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.210 374 G C 1.383 176.265 174.900 -0.031 0.000 1.160 374 G CA -0.128 44.971 45.100 -0.002 0.000 0.770 374 G HN 0.022 nan 8.290 nan 0.000 0.543 375 R N 1.123 121.594 120.500 -0.049 0.000 2.094 375 R HA -0.087 4.252 4.340 -0.000 0.000 0.239 375 R C 2.245 178.502 176.300 -0.071 0.000 1.137 375 R CA 1.213 57.264 56.100 -0.082 0.000 0.943 375 R CB -0.180 30.071 30.300 -0.081 0.000 0.850 375 R HN 0.109 nan 8.270 nan 0.000 0.433 376 K N -0.043 120.327 120.400 -0.051 0.000 2.097 376 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 376 K C 1.859 178.434 176.600 -0.043 0.000 1.049 376 K CA 1.364 57.624 56.287 -0.044 0.000 0.933 376 K CB -0.396 32.085 32.500 -0.033 0.000 0.717 376 K HN 0.243 nan 8.250 nan 0.000 0.442 377 A N 0.026 122.824 122.820 -0.037 0.000 2.167 377 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 377 A C 1.289 178.840 177.584 -0.053 0.000 1.151 377 A CA 1.153 53.170 52.037 -0.033 0.000 0.735 377 A CB -0.308 18.684 19.000 -0.014 0.000 0.802 377 A HN 0.373 nan 8.150 nan 0.000 0.467 378 G N -1.186 107.569 108.800 -0.075 0.000 2.149 378 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.235 378 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.235 378 G C 0.021 174.829 174.900 -0.153 0.000 1.018 378 G CA 0.192 45.221 45.100 -0.117 0.000 0.728 378 G HN 0.588 nan 8.290 nan 0.000 0.508 379 L N -0.039 121.120 121.223 -0.107 0.000 2.380 379 L HA 0.651 4.990 4.340 -0.000 0.000 0.273 379 L C 0.414 177.204 176.870 -0.135 0.000 1.138 379 L CA -0.038 54.749 54.840 -0.088 0.000 0.832 379 L CB 0.614 42.671 42.059 -0.004 0.000 1.124 379 L HN 0.336 nan 8.230 nan 0.000 0.454 380 R N 3.607 123.959 120.500 -0.247 0.000 2.502 380 R HA 0.564 4.904 4.340 -0.000 0.000 0.300 380 R C -1.273 174.997 176.300 -0.049 0.000 0.984 380 R CA -0.627 55.263 56.100 -0.349 0.000 0.882 380 R CB 2.378 31.913 30.300 -1.274 0.000 1.180 380 R HN 0.387 nan 8.270 nan 0.000 0.444 381 V N 3.482 123.557 119.914 0.269 0.000 2.513 381 V HA 0.513 4.632 4.120 -0.000 0.000 0.299 381 V C -0.403 175.849 176.094 0.263 0.000 1.035 381 V CA -0.826 61.551 62.300 0.129 0.000 0.889 381 V CB 2.067 33.794 31.823 -0.160 0.000 0.988 381 V HN 0.431 nan 8.190 nan 0.000 0.440 382 V N 3.505 123.478 119.914 0.099 0.000 2.483 382 V HA 0.877 4.997 4.120 -0.000 0.000 0.297 382 V C 0.070 176.196 176.094 0.054 0.000 1.027 382 V CA -0.318 62.012 62.300 0.049 0.000 0.855 382 V CB 1.538 33.208 31.823 -0.255 0.000 0.995 382 V HN 1.066 nan 8.190 nan 0.000 0.424 383 A N 3.433 126.248 122.820 -0.008 0.000 2.435 383 A HA 0.967 5.287 4.320 -0.000 0.000 0.304 383 A C -0.016 177.489 177.584 -0.132 0.000 1.064 383 A CA -0.239 51.757 52.037 -0.069 0.000 0.727 383 A CB 1.964 20.881 19.000 -0.139 0.000 1.284 383 A HN 1.054 nan 8.150 nan 0.000 0.415 384 G N -0.090 108.682 108.800 -0.046 0.000 2.400 384 G HA2 0.605 4.564 3.960 -0.000 0.000 0.333 384 G HA3 0.605 4.564 3.960 -0.000 0.000 0.333 384 G C -1.424 173.445 174.900 -0.052 0.000 1.143 384 G CA -0.295 44.782 45.100 -0.038 0.000 0.914 384 G HN 0.552 nan 8.290 nan 0.000 0.480 385 L N 0.036 121.225 121.223 -0.056 0.000 2.434 385 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 385 L C 0.571 177.431 176.870 -0.017 0.000 0.983 385 L CA -0.506 54.307 54.840 -0.044 0.000 0.820 385 L CB 2.251 44.258 42.059 -0.086 0.000 1.361 385 L HN 0.770 nan 8.230 nan 0.000 0.410 386 Q N -0.197 119.603 119.800 -0.001 0.000 2.497 386 Q HA 0.395 4.735 4.340 -0.000 0.000 0.180 386 Q C -0.347 175.656 176.000 0.005 0.000 0.778 386 Q CA -0.207 55.600 55.803 0.007 0.000 0.803 386 Q CB 0.302 29.050 28.738 0.018 0.000 1.129 386 Q HN 0.604 nan 8.270 nan 0.000 0.597 387 S N 0.345 116.052 115.700 0.011 0.000 2.578 387 S HA 0.185 4.654 4.470 -0.000 0.000 0.283 387 S C 0.597 175.203 174.600 0.010 0.000 1.195 387 S CA -0.436 57.770 58.200 0.010 0.000 1.050 387 S CB 1.562 64.771 63.200 0.015 0.000 1.012 387 S HN 0.243 nan 8.310 nan 0.000 0.511 388 T N 2.571 117.129 114.554 0.006 0.000 2.788 388 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 388 T C 2.184 176.895 174.700 0.018 0.000 1.044 388 T CA 1.870 63.974 62.100 0.007 0.000 1.139 388 T CB -0.399 68.471 68.868 0.004 0.000 0.867 388 T HN 0.788 nan 8.240 nan 0.000 0.454 389 S N 1.641 117.352 115.700 0.019 0.000 2.440 389 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 389 S C 1.942 176.563 174.600 0.035 0.000 1.010 389 S CA 0.819 59.034 58.200 0.025 0.000 0.972 389 S CB -0.482 62.730 63.200 0.019 0.000 0.774 389 S HN 0.570 nan 8.310 nan 0.000 0.501 390 Q N 0.454 120.276 119.800 0.037 0.000 1.993 390 Q HA 0.004 4.343 4.340 -0.000 0.000 0.202 390 Q C 2.264 178.311 176.000 0.077 0.000 0.984 390 Q CA 1.475 57.308 55.803 0.049 0.000 0.837 390 Q CB -0.400 28.366 28.738 0.047 0.000 0.902 390 Q HN 0.474 nan 8.270 nan 0.000 0.423 391 L N 1.348 122.621 121.223 0.084 0.000 2.046 391 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 391 L C 1.484 178.453 176.870 0.165 0.000 1.077 391 L CA 1.838 56.764 54.840 0.144 0.000 0.747 391 L CB -0.431 41.666 42.059 0.063 0.000 0.896 391 L HN 0.123 nan 8.230 nan 0.000 0.432 392 D N -0.566 119.890 120.400 0.094 0.000 2.158 392 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 392 D C 1.808 178.154 176.300 0.077 0.000 0.995 392 D CA 1.552 55.600 54.000 0.080 0.000 0.846 392 D CB -0.098 40.730 40.800 0.046 0.000 0.941 392 D HN 0.475 nan 8.370 nan 0.000 0.456 393 D N -0.871 119.568 120.400 0.064 0.000 2.162 393 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 393 D C 1.984 178.299 176.300 0.025 0.000 0.967 393 D CA 0.401 54.424 54.000 0.038 0.000 0.840 393 D CB 0.330 41.147 40.800 0.028 0.000 0.972 393 D HN -0.041 nan 8.370 nan 0.000 0.482 394 V N -0.241 119.704 119.914 0.052 0.000 2.283 394 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 394 V C 1.630 177.629 176.094 -0.158 0.000 1.039 394 V CA 1.448 63.722 62.300 -0.043 0.000 1.016 394 V CB -0.612 31.216 31.823 0.008 0.000 0.650 394 V HN 0.262 nan 8.190 nan 0.000 0.449 395 Y N 0.367 120.670 120.300 0.005 0.000 2.503 395 Y HA 0.506 5.056 4.550 -0.000 0.000 0.278 395 Y C 1.334 177.231 175.900 -0.004 0.000 1.111 395 Y CA 0.454 58.556 58.100 0.002 0.000 1.270 395 Y CB 0.008 38.476 38.460 0.013 0.000 1.063 395 Y HN 0.374 nan 8.280 nan 0.000 0.548 396 G N -0.507 108.369 108.800 0.127 0.000 2.712 396 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 396 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 396 G C 0.410 175.357 174.900 0.078 0.000 1.181 396 G CA -0.539 44.602 45.100 0.069 0.000 0.762 396 G HN -0.013 nan 8.290 nan 0.000 0.641 397 V N 2.074 122.016 119.914 0.047 0.000 2.250 397 V HA -0.302 3.818 4.120 -0.000 0.000 0.253 397 V C 2.985 179.100 176.094 0.035 0.000 1.065 397 V CA 3.063 65.385 62.300 0.037 0.000 1.039 397 V CB -0.739 31.098 31.823 0.022 0.000 0.647 397 V HN 0.841 nan 8.190 nan 0.000 0.446 398 K N -0.218 120.201 120.400 0.032 0.000 2.002 398 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 398 K C 2.183 178.803 176.600 0.034 0.000 1.048 398 K CA 1.824 58.126 56.287 0.026 0.000 0.930 398 K CB -0.257 32.254 32.500 0.019 0.000 0.714 398 K HN 0.585 nan 8.250 nan 0.000 0.438 399 E N 0.402 120.638 120.200 0.059 0.000 2.204 399 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 399 E C 1.916 178.539 176.600 0.039 0.000 0.989 399 E CA 0.735 57.180 56.400 0.074 0.000 0.824 399 E CB -0.008 29.782 29.700 0.149 0.000 0.756 399 E HN 0.312 nan 8.360 nan 0.000 0.477 400 A N 1.321 124.175 122.820 0.056 0.000 1.929 400 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 400 A C 2.140 179.711 177.584 -0.022 0.000 1.176 400 A CA 1.269 53.302 52.037 -0.008 0.000 0.628 400 A CB -0.357 18.674 19.000 0.052 0.000 0.816 400 A HN 0.195 nan 8.150 nan 0.000 0.444 401 Q N -0.605 119.198 119.800 0.004 0.000 2.050 401 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 401 Q C 1.987 177.990 176.000 0.005 0.000 0.980 401 Q CA 2.079 57.885 55.803 0.006 0.000 0.840 401 Q CB -0.297 28.447 28.738 0.010 0.000 0.898 401 Q HN 0.565 nan 8.270 nan 0.000 0.424 402 T N 1.660 116.213 114.554 -0.001 0.000 2.720 402 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 402 T C 1.722 176.412 174.700 -0.017 0.000 1.037 402 T CA 1.163 63.259 62.100 -0.006 0.000 1.144 402 T CB -0.254 68.611 68.868 -0.006 0.000 0.864 402 T HN 0.165 nan 8.240 nan 0.000 0.444 403 L N 1.280 122.474 121.223 -0.048 0.000 1.976 403 L HA 0.013 4.352 4.340 -0.000 0.000 0.209 403 L C 2.536 179.459 176.870 0.088 0.000 1.071 403 L CA 1.736 56.539 54.840 -0.062 0.000 0.746 403 L CB -0.578 41.336 42.059 -0.242 0.000 0.890 403 L HN 0.072 nan 8.230 nan 0.000 0.432 404 R N -0.765 119.784 120.500 0.081 0.000 2.117 404 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 404 R C 2.033 178.452 176.300 0.198 0.000 1.143 404 R CA 1.305 57.497 56.100 0.153 0.000 0.968 404 R CB -0.641 29.680 30.300 0.035 0.000 0.863 404 R HN 0.515 nan 8.270 nan 0.000 0.444 405 A N 0.167 123.049 122.820 0.104 0.000 2.172 405 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 405 A C 1.828 179.460 177.584 0.079 0.000 1.154 405 A CA 1.084 53.169 52.037 0.080 0.000 0.701 405 A CB -0.031 18.992 19.000 0.038 0.000 0.789 405 A HN 0.171 nan 8.150 nan 0.000 0.465 406 S N -0.932 114.807 115.700 0.064 0.000 2.603 406 S HA 0.226 4.696 4.470 -0.000 0.000 0.220 406 S C -0.283 174.254 174.600 -0.105 0.000 0.967 406 S CA 0.002 58.167 58.200 -0.059 0.000 0.920 406 S CB -0.261 62.822 63.200 -0.195 0.000 0.773 406 S HN 0.460 nan 8.310 nan 0.000 0.529 407 F N 1.978 121.965 119.950 0.062 0.000 2.361 407 F HA 0.432 4.958 4.527 -0.000 0.000 0.364 407 F C 1.256 177.099 175.800 0.072 0.000 1.117 407 F CA -0.946 57.117 58.000 0.104 0.000 1.071 407 F CB 0.923 39.963 39.000 0.066 0.000 1.188 407 F HN -0.201 nan 8.300 nan 0.000 0.464 408 R N 0.506 121.126 120.500 0.201 0.000 2.193 408 R HA 0.089 4.429 4.340 -0.000 0.000 0.213 408 R C 0.143 176.532 176.300 0.148 0.000 1.055 408 R CA 0.270 56.449 56.100 0.132 0.000 0.995 408 R CB -0.155 30.186 30.300 0.069 0.000 0.893 408 R HN 0.352 nan 8.270 nan 0.000 0.459 409 S N 1.063 116.877 115.700 0.190 0.000 2.451 409 S HA 0.477 4.947 4.470 -0.000 0.000 0.301 409 S C -0.750 173.910 174.600 0.100 0.000 1.116 409 S CA -0.665 57.635 58.200 0.167 0.000 1.093 409 S CB 1.694 65.057 63.200 0.271 0.000 1.017 409 S HN 0.052 nan 8.310 nan 0.000 0.482 410 L N 4.144 125.374 121.223 0.012 0.000 2.381 410 L HA 0.799 5.139 4.340 -0.000 0.000 0.268 410 L C -1.482 175.346 176.870 -0.069 0.000 0.997 410 L CA -0.490 54.339 54.840 -0.018 0.000 0.818 410 L CB 1.872 43.928 42.059 -0.005 0.000 1.310 410 L HN 0.432 nan 8.230 nan 0.000 0.416 411 V N 4.853 124.738 119.914 -0.048 0.000 2.483 411 V HA 0.509 4.629 4.120 -0.000 0.000 0.297 411 V C -0.719 175.379 176.094 0.007 0.000 1.027 411 V CA -0.702 61.575 62.300 -0.038 0.000 0.855 411 V CB 1.802 33.601 31.823 -0.040 0.000 0.995 411 V HN 0.505 nan 8.190 nan 0.000 0.424 412 V N 6.405 126.356 119.914 0.062 0.000 2.311 412 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 412 V C 0.487 176.654 176.094 0.122 0.000 1.022 412 V CA -0.191 62.163 62.300 0.091 0.000 0.830 412 V CB 1.353 33.242 31.823 0.111 0.000 1.012 412 V HN 0.690 nan 8.190 nan 0.000 0.452 413 L N 3.859 125.122 121.223 0.067 0.000 2.591 413 L HA 0.495 4.834 4.340 -0.000 0.000 0.228 413 L C 1.213 178.118 176.870 0.059 0.000 1.133 413 L CA 0.924 55.794 54.840 0.051 0.000 0.880 413 L CB -0.832 41.244 42.059 0.029 0.000 1.033 413 L HN 0.994 nan 8.230 nan 0.000 0.450 414 G N -1.341 107.505 108.800 0.077 0.000 3.039 414 G HA2 0.200 4.160 3.960 -0.000 0.000 0.686 414 G HA3 0.200 4.160 3.960 -0.000 0.000 0.686 414 G C -0.017 174.908 174.900 0.041 0.000 1.066 414 G CA -0.556 44.586 45.100 0.069 0.000 0.774 414 G HN 0.516 nan 8.290 nan 0.000 0.591 415 G N -0.394 108.427 108.800 0.035 0.000 3.107 415 G HA2 0.891 4.851 3.960 -0.000 0.000 0.232 415 G HA3 0.891 4.851 3.960 -0.000 0.000 0.232 415 G C 0.212 175.124 174.900 0.020 0.000 1.339 415 G CA 0.604 45.718 45.100 0.023 0.000 1.033 415 G HN 1.784 nan 8.290 nan 0.000 0.567 416 S N -1.289 114.421 115.700 0.016 0.000 2.586 416 S HA 0.219 4.689 4.470 -0.000 0.000 0.274 416 S C 1.732 176.339 174.600 0.012 0.000 1.281 416 S CA -0.432 57.776 58.200 0.013 0.000 1.035 416 S CB 0.837 64.044 63.200 0.012 0.000 0.962 416 S HN 0.599 nan 8.310 nan 0.000 0.512 417 R N 1.655 122.162 120.500 0.011 0.000 2.237 417 R HA -0.035 4.305 4.340 -0.000 0.000 0.219 417 R C 1.442 177.747 176.300 0.007 0.000 1.080 417 R CA 1.485 57.590 56.100 0.009 0.000 0.995 417 R CB -1.288 29.017 30.300 0.008 0.000 0.875 417 R HN 0.699 nan 8.270 nan 0.000 0.462 418 T N -2.145 112.414 114.554 0.008 0.000 3.194 418 T HA -0.006 4.344 4.350 -0.000 0.000 0.251 418 T C 0.219 174.923 174.700 0.007 0.000 1.132 418 T CA 0.124 62.228 62.100 0.007 0.000 1.028 418 T CB 0.160 69.032 68.868 0.008 0.000 0.976 418 T HN 0.040 nan 8.240 nan 0.000 0.535 419 D N 1.833 122.237 120.400 0.007 0.000 2.749 419 D HA 0.275 4.915 4.640 -0.000 0.000 0.338 419 D C -1.529 174.774 176.300 0.005 0.000 1.236 419 D CA -2.362 51.642 54.000 0.007 0.000 0.845 419 D CB 1.276 42.080 40.800 0.008 0.000 1.080 419 D HN 0.072 nan 8.370 nan 0.000 0.497 420 P HA -0.170 nan 4.420 nan 0.000 0.219 420 P C 1.192 178.491 177.300 -0.001 0.000 1.146 420 P CA 0.789 63.890 63.100 0.001 0.000 0.808 420 P CB 0.690 32.391 31.700 0.001 0.000 0.779 421 K N -0.519 119.882 120.400 0.000 0.000 2.025 421 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 421 K C 2.195 178.794 176.600 -0.002 0.000 1.049 421 K CA 1.717 58.004 56.287 -0.001 0.000 0.933 421 K CB -0.550 31.951 32.500 0.002 0.000 0.714 421 K HN 0.097 nan 8.250 nan 0.000 0.438 422 T N 1.370 115.923 114.554 -0.001 0.000 2.951 422 T HA -0.037 4.312 4.350 -0.000 0.000 0.268 422 T C 1.403 176.099 174.700 -0.007 0.000 1.073 422 T CA 0.895 62.993 62.100 -0.003 0.000 1.134 422 T CB -0.146 68.722 68.868 0.001 0.000 0.884 422 T HN 0.175 nan 8.240 nan 0.000 0.479 423 N N 1.257 119.954 118.700 -0.006 0.000 2.244 423 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 423 N C 1.923 177.421 175.510 -0.020 0.000 1.016 423 N CA 0.906 53.950 53.050 -0.010 0.000 0.866 423 N CB -0.251 38.233 38.487 -0.005 0.000 0.980 423 N HN 0.430 nan 8.380 nan 0.000 0.430 424 E N 1.371 121.562 120.200 -0.016 0.000 2.107 424 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 424 E C 0.917 177.504 176.600 -0.022 0.000 0.982 424 E CA 1.208 57.597 56.400 -0.019 0.000 0.809 424 E CB -0.123 29.569 29.700 -0.012 0.000 0.756 424 E HN 0.154 nan 8.360 nan 0.000 0.459 425 D N -0.421 119.968 120.400 -0.017 0.000 2.117 425 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 425 D C 1.686 177.972 176.300 -0.024 0.000 0.982 425 D CA 1.038 55.029 54.000 -0.017 0.000 0.828 425 D CB -0.109 40.684 40.800 -0.011 0.000 0.967 425 D HN 0.263 nan 8.370 nan 0.000 0.464 426 M N 0.186 119.768 119.600 -0.029 0.000 2.254 426 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 426 M C 2.266 178.526 176.300 -0.066 0.000 1.066 426 M CA 0.661 55.937 55.300 -0.040 0.000 1.123 426 M CB -1.098 31.482 32.600 -0.033 0.000 1.388 426 M HN -0.072 nan 8.290 nan 0.000 0.425 427 S N 0.625 116.284 115.700 -0.068 0.000 2.368 427 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 427 S C 2.000 176.557 174.600 -0.072 0.000 1.029 427 S CA 0.848 58.995 58.200 -0.089 0.000 0.988 427 S CB -0.169 62.990 63.200 -0.068 0.000 0.838 427 S HN 0.483 nan 8.310 nan 0.000 0.462 428 L N 0.855 122.049 121.223 -0.049 0.000 2.093 428 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 428 L C 2.454 179.304 176.870 -0.033 0.000 1.085 428 L CA 1.425 56.243 54.840 -0.037 0.000 0.755 428 L CB -0.423 41.621 42.059 -0.025 0.000 0.904 428 L HN 0.347 nan 8.230 nan 0.000 0.435 429 S N -0.240 115.440 115.700 -0.033 0.000 2.368 429 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 429 S C 1.763 176.345 174.600 -0.029 0.000 1.029 429 S CA 0.801 58.987 58.200 -0.023 0.000 0.988 429 S CB -0.187 63.002 63.200 -0.019 0.000 0.838 429 S HN 0.206 nan 8.310 nan 0.000 0.462 430 L N 0.962 122.151 121.223 -0.057 0.000 2.083 430 L HA 0.135 4.475 4.340 -0.000 0.000 0.209 430 L C 1.443 178.286 176.870 -0.046 0.000 1.083 430 L CA 1.718 56.516 54.840 -0.070 0.000 0.752 430 L CB -1.851 40.114 42.059 -0.156 0.000 0.899 430 L HN 0.509 nan 8.230 nan 0.000 0.433 431 G N -0.808 107.962 108.800 -0.051 0.000 2.663 431 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 431 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 431 G C -0.461 174.401 174.900 -0.065 0.000 1.288 431 G CA -0.653 44.424 45.100 -0.038 0.000 0.836 431 G HN 0.156 nan 8.290 nan 0.000 0.584 432 E N -0.234 119.933 120.200 -0.055 0.000 2.243 432 E HA 0.658 5.008 4.350 -0.000 0.000 0.260 432 E C 0.170 176.749 176.600 -0.035 0.000 0.985 432 E CA -0.633 55.712 56.400 -0.092 0.000 0.858 432 E CB 1.538 31.201 29.700 -0.063 0.000 1.210 432 E HN 0.794 nan 8.360 nan 0.000 0.411 433 H N -1.553 117.442 119.070 -0.125 0.000 2.980 433 H HA 0.472 5.028 4.556 -0.000 0.000 0.367 433 H C -1.008 174.112 175.328 -0.346 0.000 1.206 433 H CA -1.002 54.908 56.048 -0.231 0.000 1.126 433 H CB 1.925 31.592 29.762 -0.158 0.000 1.838 433 H HN 0.260 nan 8.280 nan 0.000 0.552 434 E N 1.685 121.659 120.200 -0.377 0.000 2.166 434 E HA 0.447 4.796 4.350 -0.000 0.000 0.275 434 E C -1.293 174.892 176.600 -0.690 0.000 0.941 434 E CA -0.925 55.238 56.400 -0.396 0.000 0.784 434 E CB 2.970 32.469 29.700 -0.335 0.000 1.115 434 E HN 0.306 nan 8.360 nan 0.000 0.399 435 V N 2.823 122.403 119.914 -0.557 0.000 3.114 435 V HA 0.234 4.354 4.120 -0.000 0.000 0.308 435 V C -1.204 174.701 176.094 -0.315 0.000 1.168 435 V CA -0.688 61.218 62.300 -0.657 0.000 1.015 435 V CB 2.588 33.708 31.823 -1.172 0.000 1.050 435 V HN 0.624 nan 8.190 nan 0.000 0.433 436 E N 3.010 123.097 120.200 -0.189 0.000 2.151 436 E HA 0.597 4.947 4.350 -0.000 0.000 0.275 436 E C -0.802 175.829 176.600 0.051 0.000 0.936 436 E CA -0.567 55.800 56.400 -0.054 0.000 0.777 436 E CB 2.121 31.805 29.700 -0.027 0.000 1.108 436 E HN 0.364 nan 8.360 nan 0.000 0.401 437 R N 1.848 122.371 120.500 0.039 0.000 2.744 437 R HA 0.236 4.576 4.340 -0.000 0.000 0.279 437 R C -1.238 175.059 176.300 -0.005 0.000 0.977 437 R CA -0.851 55.299 56.100 0.083 0.000 0.906 437 R CB 1.421 31.796 30.300 0.125 0.000 1.197 437 R HN 0.463 nan 8.270 nan 0.000 0.463 438 D N 2.503 122.876 120.400 -0.045 0.000 2.325 438 D HA 0.068 4.708 4.640 -0.000 0.000 0.251 438 D C -0.233 175.909 176.300 -0.264 0.000 1.196 438 D CA 0.166 54.006 54.000 -0.267 0.000 0.866 438 D CB 1.031 41.525 40.800 -0.510 0.000 1.101 438 D HN 0.141 nan 8.370 nan 0.000 0.476 439 R N 4.291 124.653 120.500 -0.230 0.000 2.565 439 R HA 0.100 4.440 4.340 -0.000 0.000 0.286 439 R C -0.649 175.581 176.300 -0.117 0.000 1.256 439 R CA -0.542 55.499 56.100 -0.098 0.000 1.238 439 R CB -0.277 29.997 30.300 -0.044 0.000 1.153 439 R HN 0.321 nan 8.270 nan 0.000 0.553 440 Y N 0.655 120.972 120.300 0.028 0.000 2.480 440 Y HA 0.023 4.573 4.550 -0.000 0.000 0.338 440 Y C 0.981 176.893 175.900 0.019 0.000 1.220 440 Y CA 0.892 59.005 58.100 0.023 0.000 1.430 440 Y CB 1.056 39.529 38.460 0.022 0.000 1.311 440 Y HN 0.356 nan 8.280 nan 0.000 0.575 441 S N 2.618 118.434 115.700 0.193 0.000 2.548 441 S HA 0.611 5.081 4.470 -0.000 0.000 0.286 441 S C -1.377 173.283 174.600 0.099 0.000 1.098 441 S CA -0.961 57.305 58.200 0.110 0.000 0.930 441 S CB 1.061 64.301 63.200 0.066 0.000 1.070 441 S HN 0.629 nan 8.310 nan 0.000 0.480 442 K N 3.057 123.497 120.400 0.065 0.000 2.601 442 K HA 0.434 4.754 4.320 -0.000 0.000 0.249 442 K C -1.085 175.534 176.600 0.032 0.000 0.966 442 K CA -0.622 55.693 56.287 0.047 0.000 0.827 442 K CB 0.810 33.331 32.500 0.034 0.000 1.178 442 K HN 0.703 nan 8.250 nan 0.000 0.437 453 A N 5.205 127.926 122.820 -0.165 0.000 2.422 453 A HA 0.610 4.930 4.320 -0.000 0.000 0.302 453 A C -1.197 176.313 177.584 -0.123 0.000 1.041 453 A CA -0.660 51.313 52.037 -0.108 0.000 0.708 453 A CB 1.509 20.470 19.000 -0.064 0.000 1.257 453 A HN 0.565 nan 8.150 nan 0.000 0.414 454 L N 1.925 123.096 121.223 -0.086 0.000 2.326 454 L HA 0.483 4.822 4.340 -0.000 0.000 0.278 454 L C 0.266 177.106 176.870 -0.051 0.000 1.092 454 L CA -0.200 54.597 54.840 -0.071 0.000 0.810 454 L CB 1.360 43.387 42.059 -0.053 0.000 1.153 454 L HN 0.929 nan 8.230 nan 0.000 0.439 455 E N 2.912 123.086 120.200 -0.043 0.000 2.248 455 E HA 0.553 4.903 4.350 -0.000 0.000 0.267 455 E C -0.973 175.603 176.600 -0.040 0.000 0.877 455 E CA -1.156 55.224 56.400 -0.033 0.000 0.759 455 E CB 2.003 31.691 29.700 -0.020 0.000 1.182 455 E HN 0.256 nan 8.360 nan 0.000 0.418 456 R N 1.768 122.240 120.500 -0.048 0.000 2.297 456 R HA 0.574 4.914 4.340 -0.000 0.000 0.308 456 R C -1.406 174.856 176.300 -0.064 0.000 1.029 456 R CA -0.518 55.540 56.100 -0.071 0.000 0.929 456 R CB 1.598 31.856 30.300 -0.071 0.000 1.046 456 R HN 0.493 nan 8.270 nan 0.000 0.461 457 V N 4.262 124.123 119.914 -0.088 0.000 2.851 457 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 457 V C -0.701 175.352 176.094 -0.069 0.000 1.129 457 V CA -0.849 61.418 62.300 -0.055 0.000 0.932 457 V CB 2.267 34.084 31.823 -0.011 0.000 1.024 457 V HN 0.655 nan 8.190 nan 0.000 0.426 458 R N 3.765 124.244 120.500 -0.035 0.000 2.346 458 R HA 0.676 5.016 4.340 -0.000 0.000 0.311 458 R C -0.728 175.582 176.300 0.017 0.000 0.983 458 R CA -0.306 55.781 56.100 -0.021 0.000 0.880 458 R CB 1.447 31.724 30.300 -0.038 0.000 1.100 458 R HN 0.958 nan 8.270 nan 0.000 0.453 459 E N 3.187 123.406 120.200 0.032 0.000 2.430 459 E HA 0.379 4.729 4.350 -0.000 0.000 0.279 459 E C -1.062 175.455 176.600 -0.139 0.000 1.003 459 E CA -1.209 55.188 56.400 -0.004 0.000 0.801 459 E CB 1.152 30.915 29.700 0.104 0.000 1.313 459 E HN 0.194 nan 8.360 nan 0.000 0.459 460 R N 0.951 121.404 120.500 -0.078 0.000 2.491 460 R HA 0.148 4.488 4.340 -0.000 0.000 0.283 460 R C 0.918 177.146 176.300 -0.120 0.000 1.072 460 R CA -0.155 55.881 56.100 -0.106 0.000 1.048 460 R CB 1.062 31.332 30.300 -0.051 0.000 0.983 460 R HN 0.518 nan 8.270 nan 0.000 0.450 461 V N 2.549 122.342 119.914 -0.201 0.000 2.427 461 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 461 V C 0.895 177.058 176.094 0.116 0.000 1.051 461 V CA 1.362 63.612 62.300 -0.083 0.000 1.048 461 V CB 0.093 31.859 31.823 -0.096 0.000 0.666 461 V HN 0.383 nan 8.190 nan 0.000 0.456 462 V N 0.907 120.785 119.914 -0.059 0.000 2.447 462 V HA 0.359 4.479 4.120 -0.000 0.000 0.292 462 V C -0.138 175.889 176.094 -0.113 0.000 1.021 462 V CA -0.456 61.751 62.300 -0.154 0.000 0.850 462 V CB 1.568 33.096 31.823 -0.490 0.000 1.005 462 V HN 0.253 nan 8.190 nan 0.000 0.426 463 M N 5.494 125.060 119.600 -0.058 0.000 2.232 463 M HA 0.191 4.671 4.480 -0.000 0.000 0.321 463 M C -1.348 174.923 176.300 -0.047 0.000 1.101 463 M CA -1.019 54.257 55.300 -0.040 0.000 1.181 463 M CB 0.954 33.542 32.600 -0.020 0.000 1.432 463 M HN 0.310 nan 8.290 nan 0.000 0.457 464 P HA -0.121 nan 4.420 nan 0.000 0.216 464 P C 0.743 178.037 177.300 -0.011 0.000 1.150 464 P CA 1.550 64.634 63.100 -0.027 0.000 0.837 464 P CB 0.025 31.714 31.700 -0.018 0.000 0.786 465 A N -0.097 122.720 122.820 -0.006 0.000 2.019 465 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 465 A C 2.056 179.649 177.584 0.015 0.000 1.164 465 A CA 1.467 53.507 52.037 0.004 0.000 0.644 465 A CB -1.039 17.962 19.000 0.002 0.000 0.805 465 A HN 0.207 nan 8.150 nan 0.000 0.449 466 E N -0.415 119.795 120.200 0.016 0.000 2.150 466 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 466 E C 1.759 178.415 176.600 0.093 0.000 0.985 466 E CA 0.977 57.408 56.400 0.053 0.000 0.814 466 E CB -0.216 29.519 29.700 0.058 0.000 0.752 466 E HN 0.715 nan 8.360 nan 0.000 0.466 467 I N 1.052 121.656 120.570 0.058 0.000 2.286 467 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 467 I C 2.502 178.657 176.117 0.063 0.000 1.104 467 I CA 0.770 62.118 61.300 0.081 0.000 1.397 467 I CB -0.182 37.831 38.000 0.022 0.000 1.072 467 I HN 0.045 nan 8.210 nan 0.000 0.417 468 A N 0.426 123.268 122.820 0.037 0.000 2.015 468 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 468 A C 1.809 179.411 177.584 0.030 0.000 1.163 468 A CA 1.422 53.476 52.037 0.028 0.000 0.646 468 A CB -0.455 18.555 19.000 0.017 0.000 0.806 468 A HN 0.440 nan 8.150 nan 0.000 0.448 469 N N -0.193 118.529 118.700 0.036 0.000 2.270 469 N HA 0.183 4.923 4.740 -0.000 0.000 0.198 469 N C -0.247 175.285 175.510 0.036 0.000 1.117 469 N CA -0.046 53.022 53.050 0.031 0.000 0.845 469 N CB 0.246 38.748 38.487 0.025 0.000 0.980 469 N HN 0.399 nan 8.380 nan 0.000 0.486 470 L N 3.153 124.408 121.223 0.053 0.000 2.490 470 L HA 0.127 4.467 4.340 -0.000 0.000 0.274 470 L C -1.639 175.243 176.870 0.019 0.000 1.201 470 L CA -0.923 53.944 54.840 0.045 0.000 0.869 470 L CB 0.228 42.328 42.059 0.068 0.000 1.123 470 L HN -0.096 nan 8.230 nan 0.000 0.484 471 P HA 0.149 nan 4.420 nan 0.000 0.279 471 P C -0.999 176.299 177.300 -0.004 0.000 1.252 471 P CA -0.721 62.379 63.100 -0.001 0.000 0.811 471 P CB 0.864 32.560 31.700 -0.007 0.000 1.035 472 D N 1.340 121.740 120.400 -0.000 0.000 2.406 472 D HA -0.003 4.637 4.640 -0.000 0.000 0.234 472 D C 1.245 177.542 176.300 -0.005 0.000 1.196 472 D CA 0.346 54.347 54.000 0.001 0.000 0.881 472 D CB 0.156 40.959 40.800 0.004 0.000 1.205 472 D HN 0.449 nan 8.370 nan 0.000 0.453 473 L N -0.632 120.590 121.223 -0.001 0.000 4.040 473 L HA -0.239 4.101 4.340 -0.000 0.000 0.410 473 L C -0.130 176.728 176.870 -0.021 0.000 1.187 473 L CA 0.642 55.480 54.840 -0.003 0.000 0.956 473 L CB -2.199 39.860 42.059 0.001 0.000 2.022 473 L HN 0.328 nan 8.230 nan 0.000 0.897 474 T N -0.187 114.345 114.554 -0.036 0.000 2.841 474 T HA 0.794 5.144 4.350 -0.000 0.000 0.285 474 T C 0.015 174.653 174.700 -0.104 0.000 0.991 474 T CA 0.154 62.205 62.100 -0.082 0.000 0.966 474 T CB 2.106 70.918 68.868 -0.093 0.000 0.962 474 T HN 0.374 nan 8.240 nan 0.000 0.438 475 A N 2.703 125.434 122.820 -0.149 0.000 2.515 475 A HA 0.822 5.142 4.320 -0.000 0.000 0.296 475 A C -1.891 175.554 177.584 -0.231 0.000 1.094 475 A CA -0.781 51.180 52.037 -0.126 0.000 0.718 475 A CB 1.162 20.137 19.000 -0.043 0.000 1.307 475 A HN 0.761 nan 8.150 nan 0.000 0.408 476 Y N 0.324 120.609 120.300 -0.025 0.000 2.320 476 Y HA 0.493 5.043 4.550 -0.000 0.000 0.334 476 Y C 0.096 175.948 175.900 -0.081 0.000 1.055 476 Y CA -0.237 57.844 58.100 -0.033 0.000 1.143 476 Y CB 1.943 40.393 38.460 -0.018 0.000 1.193 476 Y HN 0.352 nan 8.280 nan 0.000 0.477 477 V N 2.933 122.854 119.914 0.011 0.000 2.357 477 V HA 0.608 4.728 4.120 -0.000 0.000 0.284 477 V C 0.164 176.135 176.094 -0.204 0.000 1.018 477 V CA -0.760 61.425 62.300 -0.191 0.000 0.841 477 V CB 1.452 33.091 31.823 -0.307 0.000 0.991 477 V HN 0.938 nan 8.190 nan 0.000 0.437 478 G N 4.341 113.004 108.800 -0.229 0.000 3.039 478 G HA2 0.577 4.537 3.960 -0.000 0.000 0.329 478 G HA3 0.577 4.537 3.960 -0.000 0.000 0.329 478 G C -0.749 174.079 174.900 -0.119 0.000 1.361 478 G CA -0.264 44.769 45.100 -0.111 0.000 1.088 478 G HN 0.348 nan 8.290 nan 0.000 0.501 479 F N 1.779 121.769 119.950 0.066 0.000 2.444 479 F HA 0.519 5.046 4.527 -0.000 0.000 0.331 479 F C 1.279 177.108 175.800 0.048 0.000 1.167 479 F CA -0.170 57.865 58.000 0.059 0.000 1.262 479 F CB 1.074 40.105 39.000 0.052 0.000 1.196 479 F HN 0.563 nan 8.300 nan 0.000 0.583 480 A N 1.638 124.629 122.820 0.285 0.000 2.475 480 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 480 A C 0.903 178.557 177.584 0.117 0.000 1.087 480 A CA 0.344 52.472 52.037 0.152 0.000 0.779 480 A CB -0.921 18.143 19.000 0.107 0.000 1.036 480 A HN 1.654 nan 8.150 nan 0.000 0.506 481 G N 0.376 109.221 108.800 0.075 0.000 2.645 481 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.239 481 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.239 481 G C 0.080 175.018 174.900 0.064 0.000 1.331 481 G CA 0.277 45.410 45.100 0.055 0.000 0.890 481 G HN 1.646 nan 8.290 nan 0.000 0.572 482 N N 1.780 120.510 118.700 0.050 0.000 2.895 482 N HA 0.301 5.041 4.740 -0.000 0.000 0.277 482 N C 0.204 175.748 175.510 0.057 0.000 1.185 482 N CA 0.096 53.177 53.050 0.051 0.000 1.106 482 N CB -0.321 38.189 38.487 0.038 0.000 1.422 482 N HN 0.583 nan 8.380 nan 0.000 0.521 483 R N 1.987 122.535 120.500 0.080 0.000 2.744 483 R HA 0.564 4.903 4.340 -0.000 0.000 0.279 483 R C -2.551 173.803 176.300 0.091 0.000 0.977 483 R CA -1.562 54.596 56.100 0.097 0.000 0.906 483 R CB 1.104 31.504 30.300 0.167 0.000 1.197 483 R HN 0.334 nan 8.270 nan 0.000 0.463 484 P HA 0.356 nan 4.420 nan 0.000 0.278 484 P C 0.046 177.401 177.300 0.091 0.000 1.266 484 P CA -0.559 62.576 63.100 0.057 0.000 0.807 484 P CB 0.831 32.543 31.700 0.020 0.000 1.094 485 I N -2.355 118.269 120.570 0.091 0.000 3.210 485 I HA 0.842 5.011 4.170 -0.000 0.000 0.316 485 I C -0.477 175.720 176.117 0.132 0.000 1.067 485 I CA -1.246 60.117 61.300 0.105 0.000 1.047 485 I CB 1.333 39.402 38.000 0.116 0.000 1.352 485 I HN 0.432 nan 8.210 nan 0.000 0.565 486 A N 2.010 124.918 122.820 0.146 0.000 2.577 486 A HA 0.460 4.779 4.320 -0.000 0.000 0.297 486 A C -1.178 176.432 177.584 0.043 0.000 1.060 486 A CA -0.820 51.288 52.037 0.118 0.000 0.697 486 A CB 1.376 20.423 19.000 0.078 0.000 1.281 486 A HN 0.764 nan 8.150 nan 0.000 0.402 487 K N 1.741 122.109 120.400 -0.055 0.000 2.285 487 K HA 0.593 4.913 4.320 -0.000 0.000 0.286 487 K C -1.166 175.328 176.600 -0.177 0.000 1.072 487 K CA -0.143 55.936 56.287 -0.346 0.000 0.913 487 K CB 0.666 32.938 32.500 -0.379 0.000 1.067 487 K HN 0.494 nan 8.250 nan 0.000 0.479 488 V N 6.598 126.409 119.914 -0.172 0.000 2.735 488 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 488 V C -2.309 173.737 176.094 -0.080 0.000 1.061 488 V CA -1.872 60.379 62.300 -0.082 0.000 0.913 488 V CB 1.819 33.623 31.823 -0.031 0.000 1.005 488 V HN 0.845 nan 8.190 nan 0.000 0.428 489 P HA 0.461 nan 4.420 nan 0.000 0.286 489 P C -1.485 175.810 177.300 -0.008 0.000 1.261 489 P CA -0.509 62.571 63.100 -0.033 0.000 0.821 489 P CB 1.722 33.408 31.700 -0.025 0.000 1.013 490 L N 2.050 123.272 121.223 -0.002 0.000 2.289 490 L HA 0.364 4.704 4.340 -0.000 0.000 0.285 490 L C 0.976 177.860 176.870 0.022 0.000 1.049 490 L CA -0.149 54.702 54.840 0.020 0.000 0.804 490 L CB 0.594 42.668 42.059 0.025 0.000 1.195 490 L HN 0.433 nan 8.230 nan 0.000 0.428 491 E N 4.000 124.220 120.200 0.033 0.000 2.200 491 E HA 0.237 4.587 4.350 -0.000 0.000 0.283 491 E C -0.605 176.013 176.600 0.031 0.000 1.015 491 E CA -0.524 55.890 56.400 0.023 0.000 0.819 491 E CB 0.822 30.535 29.700 0.022 0.000 1.081 491 E HN 0.542 nan 8.360 nan 0.000 0.397 492 I N 5.415 125.994 120.570 0.014 0.000 2.270 492 I HA 0.042 4.212 4.170 -0.000 0.000 0.300 492 I C 0.699 176.804 176.117 -0.020 0.000 1.186 492 I CA -0.052 61.260 61.300 0.020 0.000 1.431 492 I CB -0.270 37.735 38.000 0.009 0.000 1.485 492 I HN 0.356 nan 8.210 nan 0.000 0.650 493 K N 3.926 124.313 120.400 -0.022 0.000 2.382 493 K HA 0.055 4.375 4.320 -0.000 0.000 0.275 493 K C -0.030 176.377 176.600 -0.323 0.000 1.009 493 K CA -0.168 55.991 56.287 -0.213 0.000 0.970 493 K CB 0.648 32.977 32.500 -0.286 0.000 0.934 493 K HN 0.257 nan 8.250 nan 0.000 0.479 494 Q N 2.655 122.175 119.800 -0.467 0.000 2.241 494 Q HA 0.377 4.717 4.340 -0.000 0.000 0.254 494 Q C -1.645 173.949 176.000 -0.677 0.000 0.917 494 Q CA -0.083 55.496 55.803 -0.373 0.000 0.919 494 Q CB 0.714 29.314 28.738 -0.230 0.000 1.237 494 Q HN 0.447 nan 8.270 nan 0.000 0.434 495 F N 1.300 121.159 119.950 -0.152 0.000 2.507 495 F HA 0.693 5.220 4.527 -0.000 0.000 0.325 495 F C 0.165 175.839 175.800 -0.210 0.000 1.116 495 F CA -1.096 56.767 58.000 -0.229 0.000 0.930 495 F CB 1.698 40.499 39.000 -0.331 0.000 1.146 495 F HN 0.584 nan 8.300 nan 0.000 0.447 496 A N 2.514 125.303 122.820 -0.051 0.000 2.388 496 A HA 0.296 4.616 4.320 -0.000 0.000 0.257 496 A C -0.148 177.378 177.584 -0.097 0.000 1.095 496 A CA -0.598 51.395 52.037 -0.074 0.000 0.791 496 A CB -0.027 18.928 19.000 -0.075 0.000 1.029 496 A HN 0.890 nan 8.150 nan 0.000 0.489 497 N N 1.204 119.851 118.700 -0.088 0.000 2.448 497 N HA 0.177 4.917 4.740 -0.000 0.000 0.250 497 N C 0.756 176.208 175.510 -0.097 0.000 1.136 497 N CA -0.281 52.708 53.050 -0.103 0.000 0.953 497 N CB 0.586 39.026 38.487 -0.079 0.000 1.251 497 N HN 0.675 nan 8.380 nan 0.000 0.502 498 R N 1.050 121.479 120.500 -0.118 0.000 2.334 498 R HA 0.135 4.475 4.340 -0.000 0.000 0.220 498 R C 0.009 176.256 176.300 -0.089 0.000 0.917 498 R CA 0.102 56.147 56.100 -0.091 0.000 1.073 498 R CB 0.150 30.400 30.300 -0.084 0.000 1.056 498 R HN 0.434 nan 8.270 nan 0.000 0.506 499 Q N 0.736 120.472 119.800 -0.107 0.000 2.479 499 Q HA 0.302 4.642 4.340 -0.000 0.000 0.276 499 Q C -2.890 173.048 176.000 -0.102 0.000 0.989 499 Q CA -2.132 53.607 55.803 -0.107 0.000 0.864 499 Q CB 3.017 31.671 28.738 -0.140 0.000 1.444 499 Q HN -0.081 nan 8.270 nan 0.000 0.388 500 P HA 0.077 nan 4.420 nan 0.000 0.271 500 P C -0.504 176.758 177.300 -0.062 0.000 1.220 500 P CA 0.240 63.301 63.100 -0.065 0.000 0.768 500 P CB 1.492 33.154 31.700 -0.063 0.000 0.848 501 A N 4.234 127.035 122.820 -0.032 0.000 1.877 501 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 501 A C 0.680 178.324 177.584 0.101 0.000 1.186 501 A CA 1.304 53.334 52.037 -0.012 0.000 0.620 501 A CB -0.659 18.336 19.000 -0.009 0.000 0.822 501 A HN 0.580 nan 8.150 nan 0.000 0.443 502 F N -0.915 118.998 119.950 -0.061 0.000 2.557 502 F HA 0.559 5.086 4.527 -0.000 0.000 0.316 502 F C -1.155 174.633 175.800 -0.020 0.000 1.141 502 F CA -1.458 56.524 58.000 -0.030 0.000 0.922 502 F CB 2.064 41.053 39.000 -0.018 0.000 1.194 502 F HN -0.194 nan 8.300 nan 0.000 0.443 503 V N 6.123 125.692 119.914 -0.575 0.000 2.284 503 V HA 0.240 4.360 4.120 -0.000 0.000 0.274 503 V C -0.027 175.609 176.094 -0.762 0.000 1.023 503 V CA -0.699 61.288 62.300 -0.522 0.000 0.808 503 V CB 0.991 32.663 31.823 -0.252 0.000 1.035 503 V HN 0.813 nan 8.190 nan 0.000 0.445 504 E N 3.326 122.990 120.200 -0.895 0.000 2.408 504 E HA 0.586 4.936 4.350 -0.000 0.000 0.259 504 E C 0.509 176.967 176.600 -0.236 0.000 1.110 504 E CA 0.768 56.810 56.400 -0.598 0.000 0.929 504 E CB 1.163 30.676 29.700 -0.312 0.000 0.971 504 E HN 0.829 nan 8.360 nan 0.000 0.438 505 G N 1.002 109.747 108.800 -0.090 0.000 2.351 505 G HA2 0.246 4.206 3.960 -0.000 0.000 0.279 505 G HA3 0.246 4.206 3.960 -0.000 0.000 0.279 505 G C -0.992 173.918 174.900 0.018 0.000 1.297 505 G CA -0.197 44.881 45.100 -0.037 0.000 0.886 505 G HN 0.611 nan 8.290 nan 0.000 0.493 506 T N 0.000 114.560 114.554 0.010 0.000 3.816 506 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 506 T CA 0.000 62.114 62.100 0.024 0.000 1.349 506 T CB 0.000 68.885 68.868 0.029 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658