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 2r5v_1_A DATA FIRST_RESID 2 DATA SEQUENCE QNFEIDYVEM YVENLEVAAF SWVDKYAFAV AGTSRSADHR SIALRQGQVT DATA SEQUENCE LVLTEPTSDR HPAAAYLQTH GDGVADIAMA TSDVAAAYEA AVRAGAEAVR DATA SEQUENCE APGQHSXAAV TTATIGGFGD VVHTLIQRDG TSAELPPGFT GSMDVTNHGK DATA SEQUENCE GDVDLLGIDH FAICLNAGDL GPTVEYYERA LGFRQIFDEH IVVGAQAMNS DATA SEQUENCE TVVQSASGAV TLTLIEPDRN ADPGQIDEFL KDHQGAGVQH IAFNSNDAVR DATA SEQUENCE AVKALSERGV EFLKTPGAYY DLLGERITLQ THSLDDLRAT NVLADEDHGG DATA SEQUENCE QLFQIFTAST HPRHTIFFEV IERQGAGTFG SSNIKALYEA VELERTG 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.534 176.000 -0.777 0.000 1.003 2 Q CA 0.000 55.448 55.803 -0.592 0.000 1.022 2 Q CB 0.000 nan 28.738 nan 0.000 1.108 3 N N 0.424 118.692 118.700 -0.721 0.000 2.727 3 N HA 0.593 5.334 4.740 0.002 0.000 0.252 3 N C -1.840 173.510 175.510 -0.265 0.000 1.283 3 N CA -0.257 52.526 53.050 -0.444 0.000 0.782 3 N CB 0.313 38.672 38.487 -0.214 0.000 1.199 3 N HN 0.508 nan 8.380 nan 0.000 0.520 4 F N 0.841 120.788 119.950 -0.005 0.000 2.456 4 F HA 0.362 4.890 4.527 0.002 0.000 0.358 4 F C 1.125 176.923 175.800 -0.003 0.000 1.095 4 F CA -0.108 57.897 58.000 0.009 0.000 1.216 4 F CB 0.788 39.813 39.000 0.041 0.000 1.125 4 F HN 0.071 nan 8.300 nan 0.000 0.549 5 E N 2.616 122.953 120.200 0.228 0.000 2.336 5 E HA 0.405 4.756 4.350 0.002 0.000 0.267 5 E C -0.588 176.095 176.600 0.138 0.000 0.906 5 E CA -0.885 55.599 56.400 0.140 0.000 0.781 5 E CB 2.802 32.559 29.700 0.095 0.000 1.261 5 E HN 0.430 nan 8.360 nan 0.000 0.436 6 I N 2.081 122.725 120.570 0.122 0.000 2.494 6 I HA -0.064 4.107 4.170 0.002 0.000 0.289 6 I C 1.277 177.435 176.117 0.069 0.000 1.106 6 I CA 0.353 61.718 61.300 0.108 0.000 1.369 6 I CB 0.198 38.303 38.000 0.175 0.000 1.410 6 I HN 0.506 nan 8.210 nan 0.000 0.523 7 D N 5.449 125.851 120.400 0.005 0.000 2.110 7 D HA -0.062 4.580 4.640 0.002 0.000 0.202 7 D C -0.463 175.883 176.300 0.077 0.000 0.975 7 D CA 1.573 55.586 54.000 0.022 0.000 0.839 7 D CB 0.341 41.139 40.800 -0.004 0.000 0.996 7 D HN 0.507 nan 8.370 nan 0.000 0.464 8 Y N -3.380 116.935 120.300 0.026 0.000 2.677 8 Y HA 0.530 5.081 4.550 0.002 0.000 0.334 8 Y C -1.723 174.182 175.900 0.009 0.000 1.196 8 Y CA -1.555 56.539 58.100 -0.010 0.000 1.059 8 Y CB 0.845 39.244 38.460 -0.101 0.000 1.315 8 Y HN -0.310 nan 8.280 nan 0.000 0.455 9 V N 1.803 121.831 119.914 0.191 0.000 2.448 9 V HA 0.433 4.554 4.120 0.002 0.000 0.295 9 V C -0.624 175.555 176.094 0.142 0.000 1.025 9 V CA -0.711 61.663 62.300 0.123 0.000 0.859 9 V CB 1.404 33.333 31.823 0.176 0.000 0.988 9 V HN 0.803 nan 8.190 nan 0.000 0.431 10 E N 5.223 125.478 120.200 0.092 0.000 2.133 10 E HA 0.583 4.935 4.350 0.002 0.000 0.274 10 E C -0.998 175.526 176.600 -0.128 0.000 0.930 10 E CA -0.600 55.810 56.400 0.017 0.000 0.770 10 E CB 1.186 30.930 29.700 0.073 0.000 1.104 10 E HN 0.652 nan 8.360 nan 0.000 0.403 11 M N 3.620 123.178 119.600 -0.071 0.000 2.404 11 M HA 0.305 4.787 4.480 0.002 0.000 0.338 11 M C -1.163 175.166 176.300 0.048 0.000 1.150 11 M CA -0.953 54.322 55.300 -0.043 0.000 1.016 11 M CB 1.190 33.853 32.600 0.105 0.000 1.672 11 M HN 0.463 nan 8.290 nan 0.000 0.448 12 Y N 1.990 122.244 120.300 -0.077 0.000 2.316 12 Y HA 0.495 5.047 4.550 0.002 0.000 0.331 12 Y C 0.163 176.108 175.900 0.075 0.000 1.083 12 Y CA -1.360 56.705 58.100 -0.060 0.000 1.206 12 Y CB 0.890 39.212 38.460 -0.231 0.000 1.195 12 Y HN 0.431 nan 8.280 nan 0.000 0.497 13 V N 0.586 120.643 119.914 0.238 0.000 2.789 13 V HA 0.531 4.653 4.120 0.002 0.000 0.311 13 V C 0.499 176.665 176.094 0.120 0.000 1.073 13 V CA -0.950 61.462 62.300 0.187 0.000 0.921 13 V CB 2.319 34.245 31.823 0.171 0.000 1.009 13 V HN 0.667 nan 8.190 nan 0.000 0.426 14 E N 1.789 122.053 120.200 0.107 0.000 2.150 14 E HA -0.045 4.306 4.350 0.002 0.000 0.193 14 E C 0.325 176.953 176.600 0.047 0.000 0.985 14 E CA 1.138 57.576 56.400 0.062 0.000 0.814 14 E CB 0.128 29.855 29.700 0.044 0.000 0.752 14 E HN 0.777 nan 8.360 nan 0.000 0.466 15 N N 0.284 119.021 118.700 0.061 0.000 2.558 15 N HA 0.027 4.768 4.740 0.002 0.000 0.285 15 N C 0.247 175.808 175.510 0.084 0.000 1.112 15 N CA -0.121 52.964 53.050 0.058 0.000 0.857 15 N CB 1.554 40.070 38.487 0.048 0.000 1.376 15 N HN -0.061 nan 8.380 nan 0.000 0.526 16 L N 4.678 125.950 121.223 0.081 0.000 2.017 16 L HA -0.082 4.259 4.340 0.002 0.000 0.208 16 L C 1.757 178.716 176.870 0.147 0.000 1.073 16 L CA 2.187 57.090 54.840 0.105 0.000 0.745 16 L CB -0.135 41.974 42.059 0.085 0.000 0.894 16 L HN 0.647 nan 8.230 nan 0.000 0.432 17 E N -1.649 118.640 120.200 0.148 0.000 2.152 17 E HA -0.115 4.236 4.350 0.002 0.000 0.192 17 E C 1.999 178.743 176.600 0.239 0.000 0.983 17 E CA 1.189 57.720 56.400 0.219 0.000 0.818 17 E CB -0.722 29.055 29.700 0.130 0.000 0.758 17 E HN 0.309 nan 8.360 nan 0.000 0.467 18 V N 1.251 121.256 119.914 0.151 0.000 2.379 18 V HA -0.188 3.933 4.120 0.002 0.000 0.245 18 V C 2.341 178.520 176.094 0.141 0.000 1.044 18 V CA 1.793 64.170 62.300 0.130 0.000 1.036 18 V CB -0.619 31.248 31.823 0.075 0.000 0.664 18 V HN 0.461 nan 8.190 nan 0.000 0.453 19 A N -0.135 122.771 122.820 0.143 0.000 1.897 19 A HA -0.014 4.307 4.320 0.002 0.000 0.215 19 A C 2.401 180.108 177.584 0.204 0.000 1.181 19 A CA 1.794 53.926 52.037 0.158 0.000 0.620 19 A CB -0.707 18.408 19.000 0.193 0.000 0.821 19 A HN 0.531 nan 8.150 nan 0.000 0.443 20 A N -1.137 121.783 122.820 0.167 0.000 1.902 20 A HA -0.002 4.320 4.320 0.002 0.000 0.217 20 A C 1.857 179.347 177.584 -0.156 0.000 1.181 20 A CA 1.492 53.543 52.037 0.023 0.000 0.623 20 A CB -0.692 18.294 19.000 -0.024 0.000 0.818 20 A HN 0.477 nan 8.150 nan 0.000 0.443 21 F N -0.580 119.442 119.950 0.119 0.000 2.710 21 F HA 0.041 4.569 4.527 0.002 0.000 0.298 21 F C 2.684 178.530 175.800 0.078 0.000 1.137 21 F CA 0.872 58.932 58.000 0.100 0.000 1.444 21 F CB -0.019 39.023 39.000 0.070 0.000 1.111 21 F HN 0.251 nan 8.300 nan 0.000 0.580 22 S N -0.670 115.098 115.700 0.113 0.000 2.368 22 S HA -0.194 4.277 4.470 0.002 0.000 0.224 22 S C 1.888 176.455 174.600 -0.055 0.000 1.029 22 S CA 1.347 59.537 58.200 -0.018 0.000 0.988 22 S CB -0.340 62.785 63.200 -0.125 0.000 0.838 22 S HN 0.499 nan 8.310 nan 0.000 0.462 23 W N 0.990 122.282 121.300 -0.012 0.000 2.407 23 W HA 0.009 4.670 4.660 0.002 0.000 0.305 23 W C 2.397 178.983 176.519 0.111 0.000 1.196 23 W CA 0.639 57.960 57.345 -0.041 0.000 1.311 23 W CB -0.757 28.469 29.460 -0.389 0.000 1.135 23 W HN 0.063 nan 8.180 nan 0.000 0.514 24 V N 0.674 120.709 119.914 0.202 0.000 2.231 24 V HA -0.349 3.772 4.120 0.002 0.000 0.248 24 V C 1.862 178.059 176.094 0.172 0.000 1.054 24 V CA 2.296 64.672 62.300 0.127 0.000 1.015 24 V CB -0.863 30.881 31.823 -0.132 0.000 0.638 24 V HN 0.115 nan 8.190 nan 0.000 0.444 25 D N -0.343 120.155 120.400 0.164 0.000 2.085 25 D HA -0.099 4.542 4.640 0.002 0.000 0.199 25 D C 2.304 178.641 176.300 0.063 0.000 0.981 25 D CA 1.250 55.327 54.000 0.128 0.000 0.834 25 D CB -0.187 40.694 40.800 0.134 0.000 0.992 25 D HN 0.390 nan 8.370 nan 0.000 0.457 26 K N -0.606 119.811 120.400 0.027 0.000 2.103 26 K HA -0.080 4.241 4.320 0.002 0.000 0.204 26 K C 1.417 177.878 176.600 -0.230 0.000 1.052 26 K CA 0.927 57.130 56.287 -0.140 0.000 0.945 26 K CB 0.045 32.401 32.500 -0.239 0.000 0.722 26 K HN 0.208 nan 8.250 nan 0.000 0.443 27 Y N -1.191 119.155 120.300 0.077 0.000 2.481 27 Y HA 0.353 4.904 4.550 0.002 0.000 0.247 27 Y C 0.469 176.440 175.900 0.118 0.000 1.151 27 Y CA 0.052 58.240 58.100 0.147 0.000 1.238 27 Y CB 1.110 39.775 38.460 0.341 0.000 1.179 27 Y HN 0.027 nan 8.280 nan 0.000 0.524 28 A N -0.593 122.366 122.820 0.231 0.000 2.945 28 A HA -0.272 4.049 4.320 0.002 0.000 0.251 28 A C 0.141 177.728 177.584 0.005 0.000 1.355 28 A CA 0.215 52.302 52.037 0.085 0.000 0.905 28 A CB -2.840 16.156 19.000 -0.007 0.000 1.104 28 A HN 0.271 nan 8.150 nan 0.000 0.733 29 F N -0.628 119.344 119.950 0.037 0.000 2.586 29 F HA 0.386 4.914 4.527 0.002 0.000 0.344 29 F C 1.160 176.929 175.800 -0.051 0.000 1.188 29 F CA 1.235 59.214 58.000 -0.035 0.000 1.359 29 F CB 0.575 39.543 39.000 -0.054 0.000 1.129 29 F HN 0.626 nan 8.300 nan 0.000 0.609 30 A N 1.387 124.259 122.820 0.086 0.000 2.340 30 A HA 0.675 4.996 4.320 0.002 0.000 0.331 30 A C -1.156 176.456 177.584 0.046 0.000 1.140 30 A CA -0.769 51.290 52.037 0.037 0.000 0.801 30 A CB 0.970 19.963 19.000 -0.011 0.000 1.234 30 A HN 0.459 nan 8.150 nan 0.000 0.469 31 V N 2.050 121.975 119.914 0.019 0.000 2.455 31 V HA 0.385 4.506 4.120 0.002 0.000 0.273 31 V C 1.141 177.261 176.094 0.044 0.000 1.045 31 V CA 0.805 63.116 62.300 0.019 0.000 0.976 31 V CB 0.445 32.282 31.823 0.023 0.000 0.993 31 V HN 1.127 nan 8.190 nan 0.000 0.475 32 A N 3.929 126.774 122.820 0.042 0.000 2.013 32 A HA 0.746 5.067 4.320 0.002 0.000 0.204 32 A C 1.003 178.632 177.584 0.075 0.000 1.262 32 A CA 0.749 52.812 52.037 0.044 0.000 0.800 32 A CB 0.345 19.355 19.000 0.015 0.000 0.909 32 A HN 1.101 nan 8.150 nan 0.000 0.472 33 G N -1.788 107.082 108.800 0.116 0.000 2.559 33 G HA2 0.524 4.485 3.960 0.002 0.000 0.291 33 G HA3 0.524 4.485 3.960 0.002 0.000 0.291 33 G C -0.932 174.140 174.900 0.286 0.000 1.424 33 G CA 0.255 45.472 45.100 0.195 0.000 0.786 33 G HN 0.754 nan 8.290 nan 0.000 0.485 34 T N -2.398 112.291 114.554 0.225 0.000 2.896 34 T HA 0.816 5.167 4.350 0.002 0.000 0.297 34 T C -0.633 173.886 174.700 -0.303 0.000 1.108 34 T CA -0.630 61.509 62.100 0.066 0.000 1.004 34 T CB 1.807 70.689 68.868 0.024 0.000 1.159 34 T HN 1.664 nan 8.240 nan 0.000 0.499 35 S N 0.233 115.612 115.700 -0.536 0.000 2.546 35 S HA 0.766 5.238 4.470 0.002 0.000 0.272 35 S C -1.517 172.880 174.600 -0.337 0.000 1.140 35 S CA -0.858 56.959 58.200 -0.639 0.000 0.920 35 S CB 1.378 63.709 63.200 -1.448 0.000 1.083 35 S HN 0.855 nan 8.310 nan 0.000 0.476 36 R N 1.377 121.686 120.500 -0.319 0.000 2.651 36 R HA 0.733 5.074 4.340 0.002 0.000 0.278 36 R C -1.098 174.933 176.300 -0.449 0.000 1.010 36 R CA -0.377 55.455 56.100 -0.447 0.000 0.896 36 R CB 2.281 32.429 30.300 -0.253 0.000 1.211 36 R HN 0.885 nan 8.270 nan 0.000 0.456 37 S N 0.356 115.683 115.700 -0.622 0.000 2.705 37 S HA 0.546 5.018 4.470 0.002 0.000 0.280 37 S C 0.639 175.115 174.600 -0.207 0.000 1.174 37 S CA -0.253 57.781 58.200 -0.276 0.000 0.823 37 S CB 1.350 64.497 63.200 -0.089 0.000 1.162 37 S HN 0.595 nan 8.310 nan 0.000 0.487 38 A N 0.669 123.434 122.820 -0.091 0.000 2.093 38 A HA -0.105 4.216 4.320 0.002 0.000 0.222 38 A C 1.361 178.922 177.584 -0.038 0.000 1.162 38 A CA 2.290 54.294 52.037 -0.055 0.000 0.655 38 A CB -1.127 17.861 19.000 -0.020 0.000 0.805 38 A HN 0.949 nan 8.150 nan 0.000 0.461 39 D N -2.673 117.725 120.400 -0.004 0.000 2.500 39 D HA 0.089 4.730 4.640 0.002 0.000 0.217 39 D C 0.345 176.687 176.300 0.069 0.000 1.159 39 D CA 0.369 54.411 54.000 0.070 0.000 0.828 39 D CB -0.315 40.581 40.800 0.160 0.000 1.039 39 D HN 0.697 nan 8.370 nan 0.000 0.512 40 H N -1.146 117.878 119.070 -0.076 0.000 3.014 40 H HA 0.583 5.140 4.556 0.002 0.000 0.337 40 H C -1.198 174.053 175.328 -0.127 0.000 1.320 40 H CA -0.961 54.974 56.048 -0.187 0.000 1.128 40 H CB 0.980 30.555 29.762 -0.311 0.000 1.862 40 H HN 0.015 nan 8.280 nan 0.000 0.536 41 R N 1.513 121.946 120.500 -0.111 0.000 2.621 41 R HA 0.765 5.106 4.340 0.002 0.000 0.292 41 R C -1.396 174.959 176.300 0.092 0.000 0.969 41 R CA -1.014 55.030 56.100 -0.093 0.000 0.887 41 R CB 2.217 32.469 30.300 -0.080 0.000 1.180 41 R HN 0.508 nan 8.270 nan 0.000 0.450 42 S N 2.114 117.875 115.700 0.102 0.000 2.569 42 S HA 0.574 5.045 4.470 0.002 0.000 0.280 42 S C -1.080 173.636 174.600 0.193 0.000 1.111 42 S CA -0.818 57.490 58.200 0.180 0.000 0.887 42 S CB 1.743 65.100 63.200 0.262 0.000 1.095 42 S HN 0.601 nan 8.310 nan 0.000 0.476 43 I N 1.459 122.182 120.570 0.255 0.000 2.689 43 I HA 0.709 4.880 4.170 0.002 0.000 0.299 43 I C -0.879 175.360 176.117 0.203 0.000 1.059 43 I CA -0.995 60.456 61.300 0.251 0.000 1.055 43 I CB 1.738 39.805 38.000 0.112 0.000 1.243 43 I HN 0.775 nan 8.210 nan 0.000 0.425 44 A N 7.908 130.806 122.820 0.130 0.000 2.249 44 A HA 0.700 5.022 4.320 0.002 0.000 0.314 44 A C -1.032 176.508 177.584 -0.074 0.000 1.290 44 A CA -0.448 51.503 52.037 -0.143 0.000 0.893 44 A CB 0.438 19.239 19.000 -0.331 0.000 1.165 44 A HN 0.637 nan 8.150 nan 0.000 0.530 45 L N 1.732 122.887 121.223 -0.113 0.000 2.334 45 L HA 0.801 5.142 4.340 0.002 0.000 0.272 45 L C 0.226 177.159 176.870 0.105 0.000 1.020 45 L CA -0.946 53.880 54.840 -0.024 0.000 0.812 45 L CB 1.700 43.664 42.059 -0.159 0.000 1.264 45 L HN 0.777 nan 8.230 nan 0.000 0.439 46 R N 1.956 122.582 120.500 0.209 0.000 2.621 46 R HA 0.498 4.839 4.340 0.002 0.000 0.284 46 R C -1.513 174.738 176.300 -0.082 0.000 0.998 46 R CA -0.516 55.646 56.100 0.104 0.000 0.895 46 R CB 1.728 32.038 30.300 0.017 0.000 1.195 46 R HN 0.670 nan 8.270 nan 0.000 0.450 47 Q N 3.162 122.785 119.800 -0.294 0.000 2.280 47 Q HA 0.466 4.807 4.340 0.002 0.000 0.259 47 Q C -0.070 175.763 176.000 -0.280 0.000 0.964 47 Q CA 0.074 55.587 55.803 -0.485 0.000 0.844 47 Q CB 1.485 29.572 28.738 -1.085 0.000 1.334 47 Q HN 0.886 nan 8.270 nan 0.000 0.423 48 G N 1.645 110.341 108.800 -0.174 0.000 2.622 48 G HA2 -0.411 3.551 3.960 0.002 0.000 0.307 48 G HA3 -0.411 3.551 3.960 0.002 0.000 0.307 48 G C 0.247 175.118 174.900 -0.047 0.000 1.226 48 G CA 0.581 45.627 45.100 -0.091 0.000 0.997 48 G HN 0.562 nan 8.290 nan 0.000 0.551 49 Q N -0.553 119.241 119.800 -0.009 0.000 2.319 49 Q HA 0.461 4.802 4.340 0.002 0.000 0.202 49 Q C 1.048 177.085 176.000 0.061 0.000 0.896 49 Q CA 0.658 56.477 55.803 0.027 0.000 0.942 49 Q CB 0.705 29.466 28.738 0.038 0.000 1.083 49 Q HN 0.905 nan 8.270 nan 0.000 0.510 50 V N 2.021 121.979 119.914 0.073 0.000 2.455 50 V HA 0.271 4.392 4.120 0.002 0.000 0.273 50 V C 0.347 176.535 176.094 0.156 0.000 1.045 50 V CA -0.018 62.379 62.300 0.162 0.000 0.976 50 V CB 1.083 33.072 31.823 0.278 0.000 0.993 50 V HN 0.196 nan 8.190 nan 0.000 0.475 51 T N 7.121 121.751 114.554 0.128 0.000 2.772 51 T HA 0.570 4.921 4.350 0.002 0.000 0.288 51 T C -0.305 174.413 174.700 0.029 0.000 0.994 51 T CA -0.264 61.882 62.100 0.077 0.000 0.951 51 T CB 0.683 69.586 68.868 0.058 0.000 0.933 51 T HN 0.386 nan 8.240 nan 0.000 0.447 52 L N 3.775 124.928 121.223 -0.117 0.000 2.282 52 L HA 0.596 4.937 4.340 0.002 0.000 0.288 52 L C -0.373 176.334 176.870 -0.271 0.000 1.033 52 L CA -0.967 53.696 54.840 -0.296 0.000 0.807 52 L CB 1.552 43.144 42.059 -0.779 0.000 1.209 52 L HN 0.337 nan 8.230 nan 0.000 0.423 53 V N 5.244 125.041 119.914 -0.196 0.000 2.427 53 V HA 0.429 4.550 4.120 0.002 0.000 0.286 53 V C 0.012 176.053 176.094 -0.089 0.000 1.034 53 V CA -0.496 61.687 62.300 -0.196 0.000 0.893 53 V CB 1.840 33.463 31.823 -0.333 0.000 0.982 53 V HN 0.497 nan 8.190 nan 0.000 0.452 54 L N 4.237 125.449 121.223 -0.018 0.000 2.313 54 L HA 0.668 5.009 4.340 0.002 0.000 0.283 54 L C -0.145 176.801 176.870 0.127 0.000 1.013 54 L CA -0.223 54.652 54.840 0.058 0.000 0.816 54 L CB 1.962 44.056 42.059 0.058 0.000 1.236 54 L HN 0.544 nan 8.230 nan 0.000 0.419 55 T N 1.906 116.558 114.554 0.163 0.000 2.840 55 T HA 0.250 4.601 4.350 0.002 0.000 0.287 55 T C -0.735 173.999 174.700 0.057 0.000 0.991 55 T CA -0.507 61.678 62.100 0.142 0.000 0.964 55 T CB 1.829 70.817 68.868 0.200 0.000 0.954 55 T HN 0.504 nan 8.240 nan 0.000 0.438 56 E N 4.686 124.883 120.200 -0.005 0.000 2.133 56 E HA 0.349 4.700 4.350 0.002 0.000 0.274 56 E C -2.470 174.025 176.600 -0.174 0.000 0.930 56 E CA -2.677 53.687 56.400 -0.060 0.000 0.770 56 E CB 1.379 31.077 29.700 -0.004 0.000 1.104 56 E HN 0.243 nan 8.360 nan 0.000 0.403 57 P HA 0.042 nan 4.420 nan 0.000 0.276 57 P C 0.090 177.317 177.300 -0.122 0.000 1.230 57 P CA -0.037 62.886 63.100 -0.294 0.000 0.776 57 P CB 1.122 32.688 31.700 -0.224 0.000 0.888 58 T N -1.990 112.515 114.554 -0.082 0.000 3.091 58 T HA 0.237 4.588 4.350 0.002 0.000 0.277 58 T C 0.385 175.070 174.700 -0.026 0.000 0.996 58 T CA -0.266 61.804 62.100 -0.051 0.000 0.897 58 T CB -0.191 68.641 68.868 -0.061 0.000 1.109 58 T HN 0.460 nan 8.240 nan 0.000 0.534 59 S N -0.330 115.367 115.700 -0.005 0.000 2.546 59 S HA 0.370 4.841 4.470 0.002 0.000 0.274 59 S C -0.192 174.425 174.600 0.028 0.000 1.121 59 S CA -0.545 57.663 58.200 0.013 0.000 0.887 59 S CB 1.795 65.009 63.200 0.024 0.000 1.094 59 S HN 0.031 nan 8.310 nan 0.000 0.474 60 D N 2.295 122.704 120.400 0.017 0.000 2.309 60 D HA -0.063 4.578 4.640 0.002 0.000 0.212 60 D C 2.379 178.694 176.300 0.024 0.000 0.968 60 D CA 1.041 55.051 54.000 0.017 0.000 0.882 60 D CB 0.046 40.849 40.800 0.006 0.000 0.918 60 D HN 0.704 nan 8.370 nan 0.000 0.503 61 R N 0.682 121.201 120.500 0.030 0.000 2.103 61 R HA -0.167 4.174 4.340 0.002 0.000 0.242 61 R C 1.311 177.628 176.300 0.028 0.000 1.142 61 R CA 1.602 57.718 56.100 0.026 0.000 0.960 61 R CB -1.730 28.589 30.300 0.030 0.000 0.858 61 R HN 0.397 nan 8.270 nan 0.000 0.439 62 H N 0.963 120.014 119.070 -0.032 0.000 2.848 62 H HA 0.118 4.675 4.556 0.002 0.000 0.341 62 H C -1.191 174.080 175.328 -0.095 0.000 1.060 62 H CA -0.861 55.150 56.048 -0.062 0.000 1.444 62 H CB 1.519 31.235 29.762 -0.076 0.000 1.446 62 H HN 0.106 nan 8.280 nan 0.000 0.583 63 P HA -0.181 nan 4.420 nan 0.000 0.221 63 P C 0.920 178.206 177.300 -0.023 0.000 1.145 63 P CA 1.412 64.466 63.100 -0.077 0.000 0.795 63 P CB 0.028 31.694 31.700 -0.056 0.000 0.775 64 A N 0.682 123.394 122.820 -0.181 0.000 1.978 64 A HA -0.072 4.249 4.320 0.002 0.000 0.220 64 A C 2.461 179.982 177.584 -0.105 0.000 1.170 64 A CA 1.902 53.578 52.037 -0.601 0.000 0.636 64 A CB -1.355 16.954 19.000 -1.151 0.000 0.810 64 A HN 0.252 nan 8.150 nan 0.000 0.448 65 A N 0.013 122.818 122.820 -0.026 0.000 1.865 65 A HA 0.101 4.423 4.320 0.002 0.000 0.217 65 A C 2.527 180.132 177.584 0.035 0.000 1.191 65 A CA 2.281 54.322 52.037 0.006 0.000 0.623 65 A CB -1.085 17.919 19.000 0.008 0.000 0.826 65 A HN 1.091 nan 8.150 nan 0.000 0.444 66 A N -1.946 120.901 122.820 0.045 0.000 1.930 66 A HA -0.055 4.266 4.320 0.002 0.000 0.217 66 A C 2.135 179.753 177.584 0.057 0.000 1.175 66 A CA 1.592 53.649 52.037 0.032 0.000 0.627 66 A CB -0.786 18.229 19.000 0.026 0.000 0.815 66 A HN 0.701 nan 8.150 nan 0.000 0.443 67 Y N 0.583 120.911 120.300 0.046 0.000 2.128 67 Y HA -0.188 4.363 4.550 0.002 0.000 0.284 67 Y C 1.972 177.938 175.900 0.109 0.000 1.154 67 Y CA 1.989 60.185 58.100 0.161 0.000 1.149 67 Y CB -0.268 38.449 38.460 0.427 0.000 0.976 67 Y HN 0.220 nan 8.280 nan 0.000 0.505 68 L N -0.034 121.400 121.223 0.351 0.000 2.093 68 L HA -0.234 4.108 4.340 0.002 0.000 0.208 68 L C 2.625 179.525 176.870 0.051 0.000 1.085 68 L CA 1.720 56.706 54.840 0.243 0.000 0.755 68 L CB -0.627 41.544 42.059 0.186 0.000 0.904 68 L HN 0.322 nan 8.230 nan 0.000 0.435 69 Q N -0.291 119.503 119.800 -0.009 0.000 2.124 69 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 69 Q C 1.937 177.838 176.000 -0.164 0.000 0.977 69 Q CA 2.099 57.862 55.803 -0.067 0.000 0.850 69 Q CB 0.088 28.792 28.738 -0.057 0.000 0.901 69 Q HN 0.438 nan 8.270 nan 0.000 0.429 70 T N -0.410 113.954 114.554 -0.315 0.000 2.851 70 T HA -0.061 4.290 4.350 0.002 0.000 0.262 70 T C 1.015 175.330 174.700 -0.642 0.000 1.043 70 T CA 1.181 62.933 62.100 -0.579 0.000 1.140 70 T CB -0.058 68.251 68.868 -0.931 0.000 0.872 70 T HN 0.428 nan 8.240 nan 0.000 0.446 71 H N -0.455 118.408 119.070 -0.345 0.000 3.255 71 H HA 0.413 4.970 4.556 0.002 0.000 0.256 71 H C 1.573 176.877 175.328 -0.038 0.000 1.049 71 H CA 0.420 56.211 56.048 -0.429 0.000 1.202 71 H CB 0.217 29.472 29.762 -0.845 0.000 1.497 71 H HN 0.476 nan 8.280 nan 0.000 0.503 72 G N 1.797 110.691 108.800 0.156 0.000 2.697 72 G HA2 -0.267 3.694 3.960 0.002 0.000 0.240 72 G HA3 -0.267 3.694 3.960 0.002 0.000 0.240 72 G C -0.802 174.382 174.900 0.473 0.000 1.346 72 G CA -0.147 45.116 45.100 0.272 0.000 0.887 72 G HN 0.286 nan 8.290 nan 0.000 0.569 73 D N 0.996 121.680 120.400 0.472 0.000 2.472 73 D HA 0.515 5.156 4.640 0.002 0.000 0.237 73 D C 0.871 177.551 176.300 0.633 0.000 1.141 73 D CA 1.841 56.141 54.000 0.500 0.000 0.875 73 D CB 0.987 42.008 40.800 0.367 0.000 1.192 73 D HN 1.363 nan 8.370 nan 0.000 0.450 74 G N -0.721 108.413 108.800 0.557 0.000 2.441 74 G HA2 0.366 4.327 3.960 0.002 0.000 0.294 74 G HA3 0.366 4.327 3.960 0.002 0.000 0.294 74 G C -1.346 173.693 174.900 0.231 0.000 1.393 74 G CA -0.805 44.580 45.100 0.475 0.000 0.796 74 G HN 0.348 nan 8.290 nan 0.000 0.494 75 V N 1.009 121.029 119.914 0.178 0.000 2.521 75 V HA 0.459 4.580 4.120 0.002 0.000 0.286 75 V C 1.265 177.250 176.094 -0.181 0.000 1.034 75 V CA 0.953 63.251 62.300 -0.004 0.000 1.045 75 V CB 0.883 32.739 31.823 0.056 0.000 0.974 75 V HN 1.340 nan 8.190 nan 0.000 0.480 76 A N 3.486 126.003 122.820 -0.505 0.000 2.192 76 A HA 0.300 4.621 4.320 0.002 0.000 0.208 76 A C 0.576 177.848 177.584 -0.521 0.000 1.220 76 A CA 0.269 51.862 52.037 -0.740 0.000 0.900 76 A CB 0.315 18.252 19.000 -1.772 0.000 0.937 76 A HN 0.706 nan 8.150 nan 0.000 0.487 77 D N -0.280 119.871 120.400 -0.415 0.000 2.763 77 D HA 0.389 5.031 4.640 0.002 0.000 0.235 77 D C -1.584 174.538 176.300 -0.296 0.000 1.334 77 D CA -0.171 53.627 54.000 -0.337 0.000 0.950 77 D CB 1.113 41.793 40.800 -0.200 0.000 1.433 77 D HN 0.123 nan 8.370 nan 0.000 0.580 78 I N 2.732 123.091 120.570 -0.352 0.000 2.282 78 I HA 0.419 4.590 4.170 0.002 0.000 0.290 78 I C 0.635 176.651 176.117 -0.169 0.000 1.090 78 I CA -0.517 60.620 61.300 -0.272 0.000 1.231 78 I CB 1.233 39.017 38.000 -0.359 0.000 1.434 78 I HN 0.336 nan 8.210 nan 0.000 0.487 79 A N 8.121 130.709 122.820 -0.387 0.000 2.331 79 A HA 0.779 5.100 4.320 0.002 0.000 0.283 79 A C -0.177 177.246 177.584 -0.268 0.000 1.142 79 A CA -0.361 51.389 52.037 -0.477 0.000 0.812 79 A CB 0.426 18.635 19.000 -1.318 0.000 1.074 79 A HN 0.709 nan 8.150 nan 0.000 0.497 80 M N 2.470 121.999 119.600 -0.119 0.000 2.243 80 M HA 0.488 4.969 4.480 0.002 0.000 0.324 80 M C 0.182 176.552 176.300 0.117 0.000 1.031 80 M CA -0.294 55.011 55.300 0.009 0.000 0.949 80 M CB 2.052 34.628 32.600 -0.040 0.000 1.615 80 M HN 0.758 nan 8.290 nan 0.000 0.430 81 A N 2.287 125.190 122.820 0.137 0.000 2.409 81 A HA 0.600 4.921 4.320 0.002 0.000 0.262 81 A C -0.020 177.683 177.584 0.199 0.000 1.113 81 A CA -0.009 52.113 52.037 0.142 0.000 0.790 81 A CB 0.442 19.502 19.000 0.100 0.000 1.046 81 A HN 0.782 nan 8.150 nan 0.000 0.496 82 T N 0.081 114.726 114.554 0.152 0.000 2.883 82 T HA 0.426 4.778 4.350 0.002 0.000 0.301 82 T C 1.170 175.888 174.700 0.030 0.000 1.158 82 T CA 0.159 62.299 62.100 0.066 0.000 1.007 82 T CB 1.190 70.111 68.868 0.089 0.000 1.186 82 T HN 1.062 nan 8.240 nan 0.000 0.499 83 S N 1.576 117.265 115.700 -0.019 0.000 2.428 83 S HA 0.093 4.564 4.470 0.002 0.000 0.230 83 S C 0.453 175.056 174.600 0.006 0.000 1.014 83 S CA 0.525 58.721 58.200 -0.006 0.000 0.957 83 S CB -0.035 63.153 63.200 -0.021 0.000 0.784 83 S HN 0.707 nan 8.310 nan 0.000 0.499 84 D N 0.474 120.877 120.400 0.005 0.000 2.358 84 D HA 0.375 5.016 4.640 0.002 0.000 0.253 84 D C 0.620 176.953 176.300 0.056 0.000 1.288 84 D CA -0.458 53.556 54.000 0.023 0.000 0.950 84 D CB 1.557 42.362 40.800 0.009 0.000 1.197 84 D HN -0.058 nan 8.370 nan 0.000 0.550 85 V N 3.036 122.994 119.914 0.073 0.000 2.358 85 V HA -0.167 3.954 4.120 0.002 0.000 0.246 85 V C 2.472 178.641 176.094 0.125 0.000 1.047 85 V CA 2.209 64.576 62.300 0.110 0.000 1.035 85 V CB -0.481 31.394 31.823 0.087 0.000 0.658 85 V HN 0.647 nan 8.190 nan 0.000 0.452 86 A N -0.065 122.802 122.820 0.079 0.000 1.902 86 A HA -0.131 4.190 4.320 0.002 0.000 0.217 86 A C 2.422 180.089 177.584 0.139 0.000 1.181 86 A CA 2.134 54.225 52.037 0.090 0.000 0.623 86 A CB -0.770 18.255 19.000 0.042 0.000 0.818 86 A HN 0.561 nan 8.150 nan 0.000 0.443 87 A N -0.057 122.821 122.820 0.096 0.000 1.858 87 A HA 0.143 4.464 4.320 0.002 0.000 0.216 87 A C 2.560 180.205 177.584 0.102 0.000 1.190 87 A CA 2.299 54.384 52.037 0.080 0.000 0.617 87 A CB -1.213 17.811 19.000 0.040 0.000 0.827 87 A HN 1.120 nan 8.150 nan 0.000 0.443 88 A N -1.494 121.401 122.820 0.126 0.000 1.883 88 A HA -0.187 4.134 4.320 0.002 0.000 0.217 88 A C 2.185 179.890 177.584 0.202 0.000 1.186 88 A CA 1.845 53.991 52.037 0.180 0.000 0.624 88 A CB -0.960 18.199 19.000 0.265 0.000 0.822 88 A HN 0.773 nan 8.150 nan 0.000 0.444 89 Y N 0.264 120.613 120.300 0.081 0.000 2.114 89 Y HA -0.225 4.326 4.550 0.002 0.000 0.284 89 Y C 2.562 178.481 175.900 0.031 0.000 1.143 89 Y CA 2.316 60.449 58.100 0.054 0.000 1.135 89 Y CB -0.095 38.397 38.460 0.054 0.000 0.980 89 Y HN 0.409 nan 8.280 nan 0.000 0.499 90 E N 0.725 121.016 120.200 0.152 0.000 2.058 90 E HA -0.247 4.104 4.350 0.002 0.000 0.194 90 E C 2.224 178.795 176.600 -0.048 0.000 0.997 90 E CA 1.403 57.832 56.400 0.048 0.000 0.801 90 E CB -0.366 29.398 29.700 0.107 0.000 0.746 90 E HN 0.576 nan 8.360 nan 0.000 0.450 91 A N 1.244 124.056 122.820 -0.013 0.000 1.873 91 A HA -0.005 4.317 4.320 0.002 0.000 0.215 91 A C 2.473 180.010 177.584 -0.078 0.000 1.186 91 A CA 2.101 54.120 52.037 -0.030 0.000 0.616 91 A CB -0.784 18.218 19.000 0.004 0.000 0.823 91 A HN 0.370 nan 8.150 nan 0.000 0.442 92 A N -0.362 122.400 122.820 -0.097 0.000 1.865 92 A HA -0.074 4.247 4.320 0.002 0.000 0.217 92 A C 2.245 179.685 177.584 -0.239 0.000 1.191 92 A CA 2.053 53.983 52.037 -0.179 0.000 0.623 92 A CB -1.146 17.752 19.000 -0.170 0.000 0.826 92 A HN 0.440 nan 8.150 nan 0.000 0.444 93 V N -0.054 119.668 119.914 -0.319 0.000 2.287 93 V HA -0.277 3.844 4.120 0.002 0.000 0.248 93 V C 2.655 178.647 176.094 -0.172 0.000 1.053 93 V CA 2.387 64.506 62.300 -0.302 0.000 1.027 93 V CB -0.857 30.679 31.823 -0.477 0.000 0.646 93 V HN 0.659 nan 8.190 nan 0.000 0.447 94 R N 0.377 120.794 120.500 -0.138 0.000 2.105 94 R HA -0.143 4.198 4.340 0.002 0.000 0.239 94 R C 2.035 178.287 176.300 -0.079 0.000 1.135 94 R CA 1.610 57.659 56.100 -0.084 0.000 0.967 94 R CB -0.411 29.854 30.300 -0.057 0.000 0.861 94 R HN 0.504 nan 8.270 nan 0.000 0.442 95 A N -0.973 121.786 122.820 -0.102 0.000 2.239 95 A HA 0.177 4.499 4.320 0.002 0.000 0.209 95 A C 1.304 178.819 177.584 -0.116 0.000 1.171 95 A CA 0.963 52.937 52.037 -0.105 0.000 0.768 95 A CB -0.099 18.827 19.000 -0.123 0.000 0.790 95 A HN 0.621 nan 8.150 nan 0.000 0.478 96 G N -2.500 106.238 108.800 -0.104 0.000 2.296 96 G HA2 0.195 4.156 3.960 0.002 0.000 0.188 96 G HA3 0.195 4.156 3.960 0.002 0.000 0.188 96 G C 0.449 175.352 174.900 0.005 0.000 1.000 96 G CA -0.027 45.045 45.100 -0.046 0.000 0.672 96 G HN 1.458 nan 8.290 nan 0.000 0.483 97 A N 0.708 123.469 122.820 -0.098 0.000 2.531 97 A HA 0.488 4.809 4.320 0.002 0.000 0.236 97 A C 0.633 178.223 177.584 0.010 0.000 1.062 97 A CA 0.961 52.999 52.037 0.001 0.000 0.760 97 A CB 0.208 19.106 19.000 -0.170 0.000 0.995 97 A HN 0.879 nan 8.150 nan 0.000 0.501 98 E N 1.778 122.018 120.200 0.067 0.000 2.290 98 E HA 0.411 4.762 4.350 0.002 0.000 0.277 98 E C 0.010 176.609 176.600 -0.002 0.000 1.035 98 E CA -0.248 56.157 56.400 0.008 0.000 0.873 98 E CB 0.672 30.369 29.700 -0.005 0.000 1.029 98 E HN 0.712 nan 8.360 nan 0.000 0.419 99 A N 4.500 127.318 122.820 -0.003 0.000 2.347 99 A HA 0.269 4.590 4.320 0.002 0.000 0.287 99 A C 0.525 178.180 177.584 0.119 0.000 1.199 99 A CA -0.592 51.491 52.037 0.076 0.000 0.851 99 A CB 0.920 19.979 19.000 0.098 0.000 1.118 99 A HN 0.606 nan 8.150 nan 0.000 0.525 100 V N 3.166 123.169 119.914 0.149 0.000 2.788 100 V HA 0.275 4.396 4.120 0.002 0.000 0.241 100 V C 1.079 177.216 176.094 0.072 0.000 1.083 100 V CA 1.108 63.455 62.300 0.077 0.000 1.103 100 V CB -0.159 31.685 31.823 0.034 0.000 0.800 100 V HN 0.832 nan 8.190 nan 0.000 0.476 101 R N -0.028 120.536 120.500 0.107 0.000 2.522 101 R HA 0.577 4.919 4.340 0.002 0.000 0.273 101 R C -0.879 175.383 176.300 -0.064 0.000 1.133 101 R CA -0.115 55.997 56.100 0.021 0.000 0.969 101 R CB 1.854 32.103 30.300 -0.086 0.000 1.235 101 R HN 0.294 nan 8.270 nan 0.000 0.433 102 A N 5.243 127.993 122.820 -0.117 0.000 2.445 102 A HA 0.408 4.730 4.320 0.002 0.000 0.242 102 A C -2.172 175.233 177.584 -0.298 0.000 1.075 102 A CA -1.066 50.706 52.037 -0.442 0.000 0.777 102 A CB -0.134 18.760 19.000 -0.176 0.000 1.013 102 A HN 0.440 nan 8.150 nan 0.000 0.493 103 P HA 0.353 nan 4.420 nan 0.000 0.265 103 P C 0.426 177.611 177.300 -0.193 0.000 1.187 103 P CA 1.080 64.036 63.100 -0.241 0.000 0.766 103 P CB 0.584 32.146 31.700 -0.229 0.000 0.820 104 G N 0.983 109.635 108.800 -0.246 0.000 2.328 104 G HA2 0.088 4.050 3.960 0.002 0.000 0.295 104 G HA3 0.088 4.050 3.960 0.002 0.000 0.295 104 G C -0.168 174.453 174.900 -0.464 0.000 1.413 104 G CA -0.483 44.340 45.100 -0.462 0.000 0.817 104 G HN 0.281 nan 8.290 nan 0.000 0.546 105 Q N -0.872 118.698 119.800 -0.384 0.000 1.890 105 Q HA 0.023 4.365 4.340 0.002 0.000 0.208 105 Q C 1.182 177.120 176.000 -0.102 0.000 0.982 105 Q CA 2.343 58.039 55.803 -0.179 0.000 0.856 105 Q CB -0.430 28.248 28.738 -0.101 0.000 0.915 105 Q HN 0.913 nan 8.270 nan 0.000 0.427 106 H N -1.706 117.371 119.070 0.011 0.000 3.844 106 H HA -0.142 4.415 4.556 0.002 0.000 0.156 106 H C 0.100 175.445 175.328 0.028 0.000 0.843 106 H CA 0.351 56.409 56.048 0.016 0.000 1.249 106 H CB -1.186 28.586 29.762 0.017 0.000 0.886 106 H HN 0.441 nan 8.280 nan 0.000 0.444 110 A N 0.218 123.065 122.820 0.046 0.000 2.313 110 A HA 0.694 5.016 4.320 0.002 0.000 0.261 110 A C 0.895 178.509 177.584 0.050 0.000 1.090 110 A CA 0.267 52.342 52.037 0.062 0.000 0.807 110 A CB 0.069 19.122 19.000 0.088 0.000 1.055 110 A HN 1.728 nan 8.150 nan 0.000 0.492 111 V N -0.699 119.253 119.914 0.063 0.000 3.376 111 V HA 0.376 4.498 4.120 0.002 0.000 0.303 111 V C 0.586 176.709 176.094 0.049 0.000 1.100 111 V CA -0.258 62.074 62.300 0.053 0.000 1.126 111 V CB -0.203 31.658 31.823 0.064 0.000 1.085 111 V HN 0.808 nan 8.190 nan 0.000 0.480 112 T N 2.397 116.970 114.554 0.032 0.000 2.888 112 T HA 0.367 4.718 4.350 0.002 0.000 0.301 112 T C 0.116 174.851 174.700 0.058 0.000 1.001 112 T CA 0.507 62.617 62.100 0.017 0.000 1.147 112 T CB 0.346 69.213 68.868 -0.001 0.000 0.931 112 T HN 1.010 nan 8.240 nan 0.000 0.541 113 T N 1.926 116.527 114.554 0.077 0.000 2.900 113 T HA 0.732 5.083 4.350 0.002 0.000 0.295 113 T C -0.849 173.922 174.700 0.118 0.000 1.044 113 T CA -0.467 61.711 62.100 0.130 0.000 0.995 113 T CB 1.581 70.567 68.868 0.195 0.000 1.072 113 T HN 0.797 nan 8.240 nan 0.000 0.473 114 A N 1.630 124.498 122.820 0.080 0.000 2.593 114 A HA 0.915 5.236 4.320 0.002 0.000 0.290 114 A C -0.996 176.630 177.584 0.071 0.000 1.126 114 A CA -0.748 51.296 52.037 0.012 0.000 0.695 114 A CB 1.803 20.714 19.000 -0.148 0.000 1.290 114 A HN 0.678 nan 8.150 nan 0.000 0.414 115 T N 1.103 115.714 114.554 0.094 0.000 2.921 115 T HA 0.620 4.971 4.350 0.002 0.000 0.297 115 T C -0.423 174.393 174.700 0.193 0.000 1.013 115 T CA -0.100 62.065 62.100 0.108 0.000 0.990 115 T CB 0.920 69.804 68.868 0.028 0.000 1.023 115 T HN 1.006 nan 8.240 nan 0.000 0.447 116 I N -0.786 119.869 120.570 0.141 0.000 2.957 116 I HA 0.951 5.122 4.170 0.002 0.000 0.310 116 I C 0.488 176.630 176.117 0.041 0.000 1.063 116 I CA -1.334 60.029 61.300 0.106 0.000 1.033 116 I CB 1.619 39.663 38.000 0.072 0.000 1.230 116 I HN 0.687 nan 8.210 nan 0.000 0.447 117 G N 0.800 109.615 108.800 0.024 0.000 2.569 117 G HA2 0.557 4.518 3.960 0.002 0.000 0.249 117 G HA3 0.557 4.518 3.960 0.002 0.000 0.249 117 G C -0.141 174.738 174.900 -0.036 0.000 1.216 117 G CA 0.067 45.131 45.100 -0.061 0.000 0.845 117 G HN 1.104 nan 8.290 nan 0.000 0.568 118 G N -0.656 107.995 108.800 -0.248 0.000 3.214 118 G HA2 0.619 4.580 3.960 0.002 0.000 0.188 118 G HA3 0.619 4.580 3.960 0.002 0.000 0.188 118 G C -0.539 174.158 174.900 -0.339 0.000 1.126 118 G CA -0.746 44.233 45.100 -0.202 0.000 0.796 118 G HN 0.773 nan 8.290 nan 0.000 0.631 119 F N 0.026 119.961 119.950 -0.025 0.000 2.380 119 F HA 0.647 5.175 4.527 0.002 0.000 0.325 119 F C 1.200 176.957 175.800 -0.071 0.000 1.136 119 F CA -0.461 57.500 58.000 -0.066 0.000 1.171 119 F CB -0.014 38.982 39.000 -0.007 0.000 1.230 119 F HN 1.303 nan 8.300 nan 0.000 0.554 120 G N 1.960 110.800 108.800 0.066 0.000 2.611 120 G HA2 -0.379 3.582 3.960 0.002 0.000 0.301 120 G HA3 -0.379 3.582 3.960 0.002 0.000 0.301 120 G C 0.227 175.100 174.900 -0.046 0.000 1.233 120 G CA 0.741 45.879 45.100 0.063 0.000 0.993 120 G HN 1.232 nan 8.290 nan 0.000 0.553 121 D N -0.015 120.374 120.400 -0.018 0.000 2.402 121 D HA 0.338 4.980 4.640 0.002 0.000 0.216 121 D C 0.853 177.093 176.300 -0.101 0.000 1.128 121 D CA 0.140 54.134 54.000 -0.011 0.000 0.833 121 D CB -0.037 40.852 40.800 0.147 0.000 0.971 121 D HN 0.529 nan 8.370 nan 0.000 0.503 122 V N 1.413 121.118 119.914 -0.348 0.000 2.614 122 V HA 0.315 4.436 4.120 0.002 0.000 0.291 122 V C 0.949 176.654 176.094 -0.648 0.000 1.049 122 V CA -0.674 61.290 62.300 -0.560 0.000 1.038 122 V CB 1.274 32.519 31.823 -0.963 0.000 0.980 122 V HN 0.267 nan 8.190 nan 0.000 0.481 123 V N 2.301 121.887 119.914 -0.546 0.000 3.204 123 V HA 0.680 4.802 4.120 0.002 0.000 0.316 123 V C -0.661 175.021 176.094 -0.686 0.000 1.160 123 V CA -0.753 61.252 62.300 -0.492 0.000 1.044 123 V CB 2.284 33.968 31.823 -0.232 0.000 1.136 123 V HN 0.829 nan 8.190 nan 0.000 0.455 124 H N 0.171 119.141 119.070 -0.166 0.000 2.800 124 H HA 0.455 5.012 4.556 0.002 0.000 0.322 124 H C -0.596 174.668 175.328 -0.106 0.000 0.979 124 H CA -0.367 55.584 56.048 -0.162 0.000 1.277 124 H CB 1.568 31.232 29.762 -0.163 0.000 1.484 124 H HN 0.788 nan 8.280 nan 0.000 0.512 125 T N 5.040 119.579 114.554 -0.026 0.000 2.814 125 T HA 0.252 4.603 4.350 0.002 0.000 0.297 125 T C 0.962 175.671 174.700 0.015 0.000 0.956 125 T CA -0.425 61.678 62.100 0.006 0.000 1.123 125 T CB 0.320 69.198 68.868 0.017 0.000 0.902 125 T HN 0.266 nan 8.240 nan 0.000 0.528 126 L N 4.398 125.666 121.223 0.075 0.000 2.289 126 L HA 0.577 4.918 4.340 0.002 0.000 0.285 126 L C -0.411 176.526 176.870 0.111 0.000 1.049 126 L CA -0.789 54.116 54.840 0.109 0.000 0.804 126 L CB 0.877 43.042 42.059 0.178 0.000 1.195 126 L HN 0.497 nan 8.230 nan 0.000 0.428 127 I N 2.525 123.163 120.570 0.113 0.000 2.418 127 I HA 0.215 4.387 4.170 0.002 0.000 0.287 127 I C -0.030 176.151 176.117 0.106 0.000 1.008 127 I CA -0.198 61.169 61.300 0.112 0.000 1.104 127 I CB 1.830 39.900 38.000 0.117 0.000 1.264 127 I HN 0.564 nan 8.210 nan 0.000 0.438 128 Q N 6.209 126.063 119.800 0.090 0.000 2.281 128 Q HA 0.343 4.685 4.340 0.002 0.000 0.267 128 Q C -0.952 175.086 176.000 0.064 0.000 1.053 128 Q CA -0.161 55.685 55.803 0.071 0.000 0.905 128 Q CB 0.466 29.236 28.738 0.053 0.000 1.195 128 Q HN 0.383 nan 8.270 nan 0.000 0.398 129 R N 2.762 123.296 120.500 0.057 0.000 2.621 129 R HA 0.129 4.470 4.340 0.002 0.000 0.284 129 R C -0.601 175.719 176.300 0.033 0.000 0.998 129 R CA -0.615 55.514 56.100 0.049 0.000 0.895 129 R CB 1.426 31.760 30.300 0.056 0.000 1.195 129 R HN 0.779 nan 8.270 nan 0.000 0.450 130 D N -0.075 120.341 120.400 0.027 0.000 2.349 130 D HA 0.076 4.717 4.640 0.002 0.000 0.224 130 D C 1.081 177.390 176.300 0.015 0.000 1.029 130 D CA 0.526 54.536 54.000 0.017 0.000 0.879 130 D CB 0.227 41.035 40.800 0.014 0.000 0.906 130 D HN 0.841 nan 8.370 nan 0.000 0.528 131 G N 0.191 109.004 108.800 0.022 0.000 2.162 131 G HA2 -0.351 3.610 3.960 0.002 0.000 0.260 131 G HA3 -0.351 3.610 3.960 0.002 0.000 0.260 131 G C 1.108 176.019 174.900 0.018 0.000 0.976 131 G CA 0.881 45.994 45.100 0.020 0.000 0.655 131 G HN 0.617 nan 8.290 nan 0.000 0.533 132 T N -2.280 112.285 114.554 0.018 0.000 3.148 132 T HA 0.503 4.854 4.350 0.002 0.000 0.253 132 T C 0.839 175.550 174.700 0.018 0.000 1.134 132 T CA 1.417 63.527 62.100 0.016 0.000 1.051 132 T CB 0.149 69.026 68.868 0.015 0.000 0.959 132 T HN 2.130 nan 8.240 nan 0.000 0.525 133 S N -0.460 115.253 115.700 0.022 0.000 2.622 133 S HA 0.611 5.082 4.470 0.002 0.000 0.275 133 S C -0.977 173.640 174.600 0.027 0.000 1.112 133 S CA -0.677 57.537 58.200 0.023 0.000 0.837 133 S CB 0.701 63.914 63.200 0.022 0.000 1.082 133 S HN 0.753 nan 8.310 nan 0.000 0.456 134 A N 1.159 123.994 122.820 0.025 0.000 2.440 134 A HA 0.701 5.023 4.320 0.002 0.000 0.251 134 A C 0.128 177.731 177.584 0.030 0.000 1.089 134 A CA 0.223 52.277 52.037 0.028 0.000 0.779 134 A CB 0.080 19.092 19.000 0.020 0.000 1.022 134 A HN 0.883 nan 8.150 nan 0.000 0.492 135 E N 1.317 121.539 120.200 0.036 0.000 2.331 135 E HA 0.568 4.919 4.350 0.002 0.000 0.275 135 E C -1.031 175.587 176.600 0.030 0.000 0.895 135 E CA -0.494 55.929 56.400 0.039 0.000 0.753 135 E CB 1.301 31.032 29.700 0.050 0.000 1.216 135 E HN 0.600 nan 8.360 nan 0.000 0.434 136 L N 4.224 125.461 121.223 0.024 0.000 2.467 136 L HA 0.324 4.665 4.340 0.002 0.000 0.270 136 L C -1.850 174.999 176.870 -0.035 0.000 1.205 136 L CA -1.606 53.226 54.840 -0.014 0.000 0.828 136 L CB 0.197 42.283 42.059 0.045 0.000 1.101 136 L HN 0.467 nan 8.230 nan 0.000 0.479 137 P HA 0.085 nan 4.420 nan 0.000 0.267 137 P C -2.490 174.837 177.300 0.045 0.000 1.200 137 P CA -0.910 62.048 63.100 -0.237 0.000 0.772 137 P CB -0.149 30.950 31.700 -1.001 0.000 0.855 138 P HA 0.073 nan 4.420 nan 0.000 0.265 138 P C 0.954 178.423 177.300 0.282 0.000 1.193 138 P CA 1.189 64.408 63.100 0.198 0.000 0.765 138 P CB 0.088 31.894 31.700 0.175 0.000 0.823 139 G N 1.070 109.997 108.800 0.211 0.000 2.176 139 G HA2 -0.241 3.720 3.960 0.002 0.000 0.253 139 G HA3 -0.241 3.720 3.960 0.002 0.000 0.253 139 G C -0.170 174.767 174.900 0.061 0.000 0.979 139 G CA -0.524 44.656 45.100 0.133 0.000 0.641 139 G HN 0.382 nan 8.290 nan 0.000 0.530 140 F N 1.908 121.865 119.950 0.012 0.000 2.422 140 F HA 0.650 5.178 4.527 0.002 0.000 0.333 140 F C 1.017 176.824 175.800 0.012 0.000 1.095 140 F CA -0.045 57.958 58.000 0.005 0.000 1.038 140 F CB 1.903 40.887 39.000 -0.026 0.000 1.156 140 F HN 0.178 nan 8.300 nan 0.000 0.483 141 T N -0.177 114.451 114.554 0.124 0.000 2.895 141 T HA 0.907 5.258 4.350 0.002 0.000 0.283 141 T C 0.048 174.813 174.700 0.107 0.000 1.014 141 T CA -0.085 62.069 62.100 0.090 0.000 1.037 141 T CB 1.672 70.564 68.868 0.040 0.000 1.006 141 T HN 1.115 nan 8.240 nan 0.000 0.468 142 G N 0.680 109.532 108.800 0.087 0.000 2.366 142 G HA2 0.401 4.362 3.960 0.002 0.000 0.190 142 G HA3 0.401 4.362 3.960 0.002 0.000 0.190 142 G C -0.835 174.104 174.900 0.065 0.000 1.299 142 G CA -0.144 45.002 45.100 0.078 0.000 1.056 142 G HN 1.494 nan 8.290 nan 0.000 0.468 143 S N -1.112 114.623 115.700 0.058 0.000 2.535 143 S HA 0.534 5.005 4.470 0.002 0.000 0.272 143 S C 0.716 175.337 174.600 0.035 0.000 1.149 143 S CA -0.155 58.072 58.200 0.045 0.000 0.888 143 S CB 1.470 64.695 63.200 0.041 0.000 1.110 143 S HN 0.605 nan 8.310 nan 0.000 0.463 144 M N 1.646 121.262 119.600 0.027 0.000 2.506 144 M HA 0.073 4.554 4.480 0.002 0.000 0.260 144 M C 0.844 177.151 176.300 0.011 0.000 1.104 144 M CA 0.497 55.806 55.300 0.016 0.000 1.112 144 M CB -1.218 31.390 32.600 0.014 0.000 1.401 144 M HN 0.706 nan 8.290 nan 0.000 0.473 145 D N 2.126 122.536 120.400 0.017 0.000 2.551 145 D HA 0.343 4.984 4.640 0.002 0.000 0.223 145 D C -0.461 175.851 176.300 0.019 0.000 1.144 145 D CA -0.189 53.820 54.000 0.015 0.000 1.025 145 D CB -0.350 40.463 40.800 0.022 0.000 1.085 145 D HN 0.150 nan 8.370 nan 0.000 0.506 146 V N -0.483 119.434 119.914 0.005 0.000 3.049 146 V HA 0.887 5.008 4.120 0.002 0.000 0.309 146 V C -0.154 175.915 176.094 -0.042 0.000 1.148 146 V CA -0.790 61.514 62.300 0.006 0.000 0.990 146 V CB 1.826 33.662 31.823 0.021 0.000 1.039 146 V HN 0.276 nan 8.190 nan 0.000 0.430 147 T N 1.221 115.727 114.554 -0.079 0.000 2.843 147 T HA 0.470 4.821 4.350 0.002 0.000 0.302 147 T C -1.581 172.999 174.700 -0.200 0.000 1.232 147 T CA -0.463 61.523 62.100 -0.190 0.000 1.009 147 T CB 1.925 70.602 68.868 -0.319 0.000 1.254 147 T HN 1.074 nan 8.240 nan 0.000 0.504 148 N N 1.094 119.680 118.700 -0.190 0.000 2.609 148 N HA 0.255 4.996 4.740 0.002 0.000 0.234 148 N C 0.447 175.880 175.510 -0.127 0.000 1.001 148 N CA -0.094 52.901 53.050 -0.091 0.000 0.926 148 N CB 0.395 38.865 38.487 -0.029 0.000 1.130 148 N HN 0.629 nan 8.380 nan 0.000 0.510 149 H N 1.234 120.314 119.070 0.017 0.000 2.521 149 H HA 0.062 4.620 4.556 0.002 0.000 0.286 149 H C 1.595 176.932 175.328 0.015 0.000 1.034 149 H CA 1.321 57.377 56.048 0.013 0.000 1.278 149 H CB 0.398 30.170 29.762 0.016 0.000 1.386 149 H HN 0.615 nan 8.280 nan 0.000 0.567 150 G N 0.960 109.829 108.800 0.116 0.000 3.210 150 G HA2 -0.104 3.858 3.960 0.002 0.000 0.220 150 G HA3 -0.104 3.858 3.960 0.002 0.000 0.220 150 G C 1.261 176.184 174.900 0.039 0.000 1.200 150 G CA -0.111 45.034 45.100 0.074 0.000 0.834 150 G HN 0.518 nan 8.290 nan 0.000 0.524 151 K N -0.133 120.274 120.400 0.012 0.000 2.211 151 K HA 0.201 4.523 4.320 0.002 0.000 0.203 151 K C 1.860 178.456 176.600 -0.007 0.000 1.050 151 K CA 0.657 56.935 56.287 -0.015 0.000 0.945 151 K CB -0.239 32.226 32.500 -0.058 0.000 0.732 151 K HN 0.310 nan 8.250 nan 0.000 0.451 152 G N 2.122 110.924 108.800 0.004 0.000 2.629 152 G HA2 -0.426 3.535 3.960 0.002 0.000 0.313 152 G HA3 -0.426 3.535 3.960 0.002 0.000 0.313 152 G C 0.424 175.322 174.900 -0.004 0.000 1.217 152 G CA 0.913 46.016 45.100 0.005 0.000 0.994 152 G HN 0.474 nan 8.290 nan 0.000 0.549 153 D N -0.038 120.360 120.400 -0.004 0.000 2.339 153 D HA 0.277 4.918 4.640 0.002 0.000 0.217 153 D C 1.242 177.538 176.300 -0.006 0.000 1.050 153 D CA 0.711 54.708 54.000 -0.006 0.000 0.856 153 D CB 0.240 41.037 40.800 -0.006 0.000 0.922 153 D HN 0.645 nan 8.370 nan 0.000 0.518 154 V N 0.670 120.580 119.914 -0.008 0.000 2.530 154 V HA 0.371 4.492 4.120 0.002 0.000 0.282 154 V C -0.670 175.406 176.094 -0.030 0.000 1.048 154 V CA -0.133 62.164 62.300 -0.005 0.000 0.997 154 V CB 1.589 33.417 31.823 0.008 0.000 0.987 154 V HN -0.006 nan 8.190 nan 0.000 0.477 155 D N 5.094 125.480 120.400 -0.022 0.000 2.968 155 D HA 0.260 4.901 4.640 0.002 0.000 0.301 155 D C -0.330 175.950 176.300 -0.033 0.000 1.226 155 D CA -0.320 53.655 54.000 -0.042 0.000 0.746 155 D CB 0.085 40.872 40.800 -0.021 0.000 1.278 155 D HN 0.596 nan 8.370 nan 0.000 0.544 156 L N 1.855 123.033 121.223 -0.074 0.000 2.462 156 L HA 0.184 4.525 4.340 0.002 0.000 0.272 156 L C 1.511 178.351 176.870 -0.050 0.000 1.166 156 L CA -0.011 54.800 54.840 -0.047 0.000 0.880 156 L CB 1.035 42.989 42.059 -0.176 0.000 1.142 156 L HN 0.262 nan 8.230 nan 0.000 0.473 157 L N 2.922 124.166 121.223 0.035 0.000 2.357 157 L HA 0.336 4.677 4.340 0.002 0.000 0.211 157 L C 0.975 177.873 176.870 0.045 0.000 1.075 157 L CA 0.374 55.228 54.840 0.024 0.000 0.830 157 L CB 0.076 42.159 42.059 0.040 0.000 0.996 157 L HN 0.835 nan 8.230 nan 0.000 0.467 158 G N -0.419 108.447 108.800 0.110 0.000 2.320 158 G HA2 0.320 4.281 3.960 0.002 0.000 0.296 158 G HA3 0.320 4.281 3.960 0.002 0.000 0.296 158 G C -1.677 173.332 174.900 0.182 0.000 1.306 158 G CA -0.759 44.418 45.100 0.128 0.000 0.836 158 G HN -0.147 nan 8.290 nan 0.000 0.517 159 I N 0.541 121.160 120.570 0.081 0.000 2.353 159 I HA 0.255 4.427 4.170 0.002 0.000 0.293 159 I C 0.888 176.930 176.117 -0.125 0.000 0.992 159 I CA -0.204 61.029 61.300 -0.113 0.000 1.268 159 I CB 1.867 39.710 38.000 -0.262 0.000 1.387 159 I HN 0.785 nan 8.210 nan 0.000 0.478 160 D N 4.314 124.614 120.400 -0.167 0.000 2.197 160 D HA -0.006 4.635 4.640 0.002 0.000 0.212 160 D C 0.215 176.536 176.300 0.034 0.000 0.963 160 D CA 1.000 54.992 54.000 -0.013 0.000 0.864 160 D CB 0.450 41.316 40.800 0.109 0.000 1.009 160 D HN 0.647 nan 8.370 nan 0.000 0.479 161 H N -3.119 115.808 119.070 -0.237 0.000 2.967 161 H HA 0.258 4.815 4.556 0.002 0.000 0.318 161 H C -1.635 173.366 175.328 -0.545 0.000 1.375 161 H CA -0.980 54.939 56.048 -0.215 0.000 1.132 161 H CB -0.163 29.633 29.762 0.056 0.000 1.848 161 H HN -0.087 nan 8.280 nan 0.000 0.524 162 F N 0.656 120.562 119.950 -0.073 0.000 2.482 162 F HA 0.670 5.198 4.527 0.002 0.000 0.331 162 F C 0.443 176.071 175.800 -0.288 0.000 1.115 162 F CA -0.646 57.211 58.000 -0.239 0.000 0.955 162 F CB 2.151 41.050 39.000 -0.168 0.000 1.136 162 F HN 0.774 nan 8.300 nan 0.000 0.452 163 A N 4.331 126.888 122.820 -0.438 0.000 2.301 163 A HA 0.850 5.172 4.320 0.002 0.000 0.312 163 A C -0.795 176.444 177.584 -0.575 0.000 1.182 163 A CA -0.483 51.201 52.037 -0.589 0.000 0.826 163 A CB 0.415 18.728 19.000 -1.145 0.000 1.134 163 A HN 0.765 nan 8.150 nan 0.000 0.501 164 I N 1.504 121.756 120.570 -0.529 0.000 2.499 164 I HA 0.254 4.425 4.170 0.002 0.000 0.288 164 I C -0.723 175.076 176.117 -0.529 0.000 1.048 164 I CA -0.302 60.622 61.300 -0.626 0.000 1.062 164 I CB 2.031 39.486 38.000 -0.910 0.000 1.238 164 I HN 0.590 nan 8.210 nan 0.000 0.426 165 C N 6.890 125.846 119.300 -0.573 0.000 2.369 165 C HA 0.615 5.076 4.460 0.002 0.000 0.358 165 C C 0.145 175.019 174.990 -0.192 0.000 1.274 165 C CA -0.548 58.231 59.018 -0.397 0.000 1.935 165 C CB -0.419 27.007 27.740 -0.523 0.000 2.431 165 C HN 0.506 nan 8.230 nan 0.000 0.545 166 L N 3.633 124.785 121.223 -0.119 0.000 2.354 166 L HA 0.444 4.785 4.340 0.002 0.000 0.269 166 L C 0.164 177.034 176.870 0.000 0.000 1.005 166 L CA -0.542 54.273 54.840 -0.041 0.000 0.819 166 L CB 0.942 42.966 42.059 -0.059 0.000 1.311 166 L HN 0.637 nan 8.230 nan 0.000 0.423 167 N N 1.147 119.866 118.700 0.031 0.000 2.441 167 N HA 0.141 4.883 4.740 0.002 0.000 0.251 167 N C -0.036 175.483 175.510 0.015 0.000 1.242 167 N CA -0.062 53.007 53.050 0.033 0.000 0.898 167 N CB 1.226 39.736 38.487 0.039 0.000 1.100 167 N HN 0.716 nan 8.380 nan 0.000 0.443 168 A N 0.768 123.597 122.820 0.014 0.000 2.540 168 A HA 0.379 4.700 4.320 0.002 0.000 0.239 168 A C 1.372 178.962 177.584 0.009 0.000 1.061 168 A CA 0.687 52.729 52.037 0.009 0.000 0.758 168 A CB -0.443 18.564 19.000 0.012 0.000 0.991 168 A HN 0.928 nan 8.150 nan 0.000 0.502 169 G N 1.571 110.375 108.800 0.007 0.000 2.176 169 G HA2 -0.225 3.737 3.960 0.002 0.000 0.253 169 G HA3 -0.225 3.737 3.960 0.002 0.000 0.253 169 G C 0.336 175.240 174.900 0.008 0.000 0.979 169 G CA 0.779 45.883 45.100 0.007 0.000 0.641 169 G HN 0.708 nan 8.290 nan 0.000 0.530 170 D N -0.465 119.939 120.400 0.007 0.000 2.389 170 D HA 0.256 4.897 4.640 0.002 0.000 0.206 170 D C 2.404 178.710 176.300 0.011 0.000 1.055 170 D CA -0.099 53.906 54.000 0.009 0.000 0.856 170 D CB 0.111 40.918 40.800 0.011 0.000 0.957 170 D HN 0.366 nan 8.370 nan 0.000 0.509 171 L N 0.751 121.975 121.223 0.003 0.000 1.970 171 L HA -0.124 4.217 4.340 0.002 0.000 0.212 171 L C 2.203 179.089 176.870 0.025 0.000 1.071 171 L CA 1.938 56.779 54.840 0.003 0.000 0.751 171 L CB -0.657 41.397 42.059 -0.008 0.000 0.889 171 L HN 0.114 nan 8.230 nan 0.000 0.432 172 G N 0.165 108.979 108.800 0.024 0.000 2.491 172 G HA2 -0.247 3.715 3.960 0.002 0.000 0.218 172 G HA3 -0.247 3.715 3.960 0.002 0.000 0.218 172 G C -0.858 174.071 174.900 0.050 0.000 1.180 172 G CA 0.887 46.007 45.100 0.032 0.000 0.774 172 G HN 0.391 nan 8.290 nan 0.000 0.562 173 P HA 0.040 nan 4.420 nan 0.000 0.223 173 P C 1.747 179.104 177.300 0.094 0.000 1.151 173 P CA 1.268 64.402 63.100 0.057 0.000 0.787 173 P CB -0.062 31.656 31.700 0.031 0.000 0.788 174 T N -1.093 113.521 114.554 0.100 0.000 2.937 174 T HA -0.023 4.328 4.350 0.002 0.000 0.260 174 T C 1.871 176.748 174.700 0.295 0.000 1.051 174 T CA 0.679 62.886 62.100 0.177 0.000 1.141 174 T CB -0.859 68.094 68.868 0.141 0.000 0.879 174 T HN -0.130 nan 8.240 nan 0.000 0.459 175 V N 1.863 121.887 119.914 0.182 0.000 2.287 175 V HA -0.239 3.882 4.120 0.002 0.000 0.248 175 V C 2.569 178.774 176.094 0.185 0.000 1.053 175 V CA 2.232 64.639 62.300 0.177 0.000 1.027 175 V CB -0.600 31.285 31.823 0.104 0.000 0.646 175 V HN 0.560 nan 8.190 nan 0.000 0.447 176 E N -0.709 119.576 120.200 0.140 0.000 2.077 176 E HA -0.290 4.062 4.350 0.002 0.000 0.193 176 E C 2.170 178.830 176.600 0.099 0.000 0.989 176 E CA 1.698 58.161 56.400 0.106 0.000 0.800 176 E CB -0.420 29.327 29.700 0.078 0.000 0.746 176 E HN 0.673 nan 8.360 nan 0.000 0.452 177 Y N -0.027 120.255 120.300 -0.030 0.000 2.081 177 Y HA -0.342 4.209 4.550 0.002 0.000 0.280 177 Y C 1.804 177.548 175.900 -0.260 0.000 1.163 177 Y CA 2.342 60.353 58.100 -0.149 0.000 1.135 177 Y CB -0.540 37.803 38.460 -0.196 0.000 0.970 177 Y HN 0.151 nan 8.280 nan 0.000 0.498 178 Y N 0.678 120.966 120.300 -0.020 0.000 2.224 178 Y HA -0.223 4.328 4.550 0.002 0.000 0.289 178 Y C 2.432 178.237 175.900 -0.159 0.000 1.146 178 Y CA 1.954 59.872 58.100 -0.302 0.000 1.182 178 Y CB -0.432 37.795 38.460 -0.388 0.000 0.983 178 Y HN 0.277 nan 8.280 nan 0.000 0.524 179 E N -0.307 119.957 120.200 0.108 0.000 2.028 179 E HA -0.188 4.163 4.350 0.002 0.000 0.191 179 E C 2.286 178.906 176.600 0.033 0.000 0.988 179 E CA 1.161 57.635 56.400 0.123 0.000 0.799 179 E CB -0.148 29.620 29.700 0.114 0.000 0.755 179 E HN 0.452 nan 8.360 nan 0.000 0.447 180 R N 0.276 120.749 120.500 -0.046 0.000 2.062 180 R HA 0.055 4.396 4.340 0.002 0.000 0.226 180 R C 2.312 178.523 176.300 -0.149 0.000 1.125 180 R CA 1.009 57.063 56.100 -0.076 0.000 0.966 180 R CB -0.173 30.084 30.300 -0.072 0.000 0.861 180 R HN 0.077 nan 8.270 nan 0.000 0.433 181 A N 0.262 122.885 122.820 -0.328 0.000 2.016 181 A HA -0.016 4.305 4.320 0.002 0.000 0.217 181 A C 1.487 178.928 177.584 -0.238 0.000 1.162 181 A CA 1.013 52.811 52.037 -0.399 0.000 0.662 181 A CB 0.260 18.759 19.000 -0.835 0.000 0.812 181 A HN 0.112 nan 8.150 nan 0.000 0.450 182 L N -2.530 118.603 121.223 -0.149 0.000 3.217 182 L HA 0.335 4.676 4.340 0.002 0.000 0.288 182 L C 1.376 178.508 176.870 0.436 0.000 1.202 182 L CA 0.921 55.827 54.840 0.109 0.000 1.027 182 L CB -0.142 41.811 42.059 -0.178 0.000 1.427 182 L HN 0.612 nan 8.230 nan 0.000 0.600 183 G N -0.216 108.745 108.800 0.269 0.000 2.153 183 G HA2 -0.322 3.639 3.960 0.002 0.000 0.252 183 G HA3 -0.322 3.639 3.960 0.002 0.000 0.252 183 G C 0.252 175.351 174.900 0.333 0.000 0.994 183 G CA 0.079 45.331 45.100 0.252 0.000 0.698 183 G HN 0.113 nan 8.290 nan 0.000 0.521 184 F N 0.380 120.403 119.950 0.122 0.000 2.406 184 F HA 0.657 5.185 4.527 0.002 0.000 0.327 184 F C 1.404 177.262 175.800 0.098 0.000 1.153 184 F CA -0.421 57.657 58.000 0.130 0.000 1.218 184 F CB 0.664 39.766 39.000 0.170 0.000 1.215 184 F HN 0.033 nan 8.300 nan 0.000 0.570 185 R N 0.535 121.168 120.500 0.221 0.000 2.803 185 R HA 0.269 4.611 4.340 0.002 0.000 0.276 185 R C -0.894 175.501 176.300 0.157 0.000 0.978 185 R CA -1.117 55.076 56.100 0.154 0.000 0.939 185 R CB 1.967 32.321 30.300 0.089 0.000 1.179 185 R HN 0.596 nan 8.270 nan 0.000 0.472 186 Q N 3.510 123.389 119.800 0.131 0.000 2.296 186 Q HA 0.109 4.450 4.340 0.002 0.000 0.263 186 Q C 0.554 176.623 176.000 0.116 0.000 1.026 186 Q CA 0.101 55.976 55.803 0.121 0.000 0.912 186 Q CB 0.553 29.346 28.738 0.092 0.000 1.198 186 Q HN 0.760 nan 8.270 nan 0.000 0.407 187 I N 1.347 122.010 120.570 0.154 0.000 4.181 187 I HA 0.475 4.646 4.170 0.002 0.000 0.331 187 I C -0.527 175.762 176.117 0.286 0.000 1.312 187 I CA -0.256 61.152 61.300 0.180 0.000 1.146 187 I CB 0.577 38.680 38.000 0.172 0.000 1.074 187 I HN 0.441 nan 8.210 nan 0.000 0.402 188 F N 2.180 122.181 119.950 0.085 0.000 2.725 188 F HA 0.468 4.996 4.527 0.002 0.000 0.309 188 F C -2.314 173.521 175.800 0.058 0.000 1.132 188 F CA -0.832 57.224 58.000 0.095 0.000 0.957 188 F CB 1.569 40.678 39.000 0.182 0.000 1.286 188 F HN 0.330 nan 8.300 nan 0.000 0.440 189 D N 1.943 122.104 120.400 -0.399 0.000 2.654 189 D HA 0.556 5.197 4.640 0.002 0.000 0.231 189 D C -1.911 174.158 176.300 -0.385 0.000 1.239 189 D CA -0.521 53.351 54.000 -0.213 0.000 0.790 189 D CB 2.203 42.936 40.800 -0.112 0.000 1.480 189 D HN 0.516 nan 8.370 nan 0.000 0.442 190 E N 0.048 120.180 120.200 -0.114 0.000 2.406 190 E HA 0.265 4.616 4.350 0.002 0.000 0.297 190 E C -2.251 174.373 176.600 0.041 0.000 0.917 190 E CA -0.613 55.765 56.400 -0.038 0.000 0.795 190 E CB 0.964 30.738 29.700 0.123 0.000 1.285 190 E HN 0.593 nan 8.360 nan 0.000 0.400 191 H N 4.704 123.748 119.070 -0.045 0.000 2.652 191 H HA 0.502 5.059 4.556 0.002 0.000 0.298 191 H C -0.570 174.750 175.328 -0.014 0.000 1.076 191 H CA -0.180 55.848 56.048 -0.033 0.000 1.360 191 H CB 0.227 29.969 29.762 -0.033 0.000 1.421 191 H HN 0.452 nan 8.280 nan 0.000 0.464 192 I N 6.253 126.587 120.570 -0.393 0.000 2.377 192 I HA 0.277 4.449 4.170 0.002 0.000 0.293 192 I C -0.448 175.459 176.117 -0.350 0.000 0.987 192 I CA -1.200 59.947 61.300 -0.255 0.000 1.185 192 I CB 1.620 39.514 38.000 -0.177 0.000 1.341 192 I HN 0.401 nan 8.210 nan 0.000 0.455 193 V N 4.181 123.983 119.914 -0.185 0.000 2.540 193 V HA 0.722 4.843 4.120 0.002 0.000 0.302 193 V C -0.610 175.463 176.094 -0.034 0.000 1.035 193 V CA -0.583 61.648 62.300 -0.115 0.000 0.873 193 V CB 1.758 33.547 31.823 -0.057 0.000 0.992 193 V HN 0.456 nan 8.190 nan 0.000 0.428 194 V N 5.613 125.515 119.914 -0.020 0.000 2.462 194 V HA 0.795 4.917 4.120 0.002 0.000 0.288 194 V C 1.126 177.228 176.094 0.013 0.000 1.020 194 V CA 0.571 62.880 62.300 0.015 0.000 0.857 194 V CB 0.366 32.214 31.823 0.042 0.000 1.013 194 V HN 1.734 nan 8.190 nan 0.000 0.431 195 G N 5.037 113.846 108.800 0.016 0.000 2.634 195 G HA2 -0.210 3.752 3.960 0.002 0.000 0.318 195 G HA3 -0.210 3.752 3.960 0.002 0.000 0.318 195 G C 0.964 175.872 174.900 0.015 0.000 1.207 195 G CA 0.734 45.844 45.100 0.017 0.000 0.987 195 G HN 1.686 nan 8.290 nan 0.000 0.547 196 A N 0.665 123.494 122.820 0.015 0.000 2.348 196 A HA 0.556 4.877 4.320 0.002 0.000 0.224 196 A C 1.168 178.760 177.584 0.013 0.000 1.227 196 A CA 1.396 53.443 52.037 0.016 0.000 0.885 196 A CB -0.129 18.882 19.000 0.017 0.000 0.933 196 A HN 1.135 nan 8.150 nan 0.000 0.506 197 Q N -0.285 119.518 119.800 0.006 0.000 2.214 197 Q HA 0.765 5.106 4.340 0.002 0.000 0.251 197 Q C -0.537 175.443 176.000 -0.034 0.000 0.936 197 Q CA -0.328 55.473 55.803 -0.004 0.000 0.894 197 Q CB 1.472 30.210 28.738 0.000 0.000 1.252 197 Q HN 0.274 nan 8.270 nan 0.000 0.448 198 A N 2.349 125.139 122.820 -0.051 0.000 2.566 198 A HA 0.798 5.119 4.320 0.002 0.000 0.292 198 A C -1.201 176.296 177.584 -0.145 0.000 1.112 198 A CA -1.070 50.884 52.037 -0.140 0.000 0.707 198 A CB 1.870 20.780 19.000 -0.150 0.000 1.302 198 A HN 0.832 nan 8.150 nan 0.000 0.409 199 M N 0.533 119.987 119.600 -0.243 0.000 2.550 199 M HA 0.382 4.863 4.480 0.002 0.000 0.292 199 M C -0.867 175.355 176.300 -0.131 0.000 1.221 199 M CA -0.254 54.943 55.300 -0.172 0.000 0.873 199 M CB 2.397 34.862 32.600 -0.226 0.000 1.727 199 M HN 0.733 nan 8.290 nan 0.000 0.459 200 N N 0.476 119.162 118.700 -0.024 0.000 2.443 200 N HA 0.734 5.475 4.740 0.002 0.000 0.295 200 N C -1.279 174.213 175.510 -0.030 0.000 1.076 200 N CA -0.584 52.489 53.050 0.038 0.000 0.919 200 N CB 1.719 40.242 38.487 0.059 0.000 1.176 200 N HN 0.733 nan 8.380 nan 0.000 0.487 201 S N 0.276 115.966 115.700 -0.016 0.000 2.541 201 S HA 0.649 5.121 4.470 0.002 0.000 0.271 201 S C -1.195 173.404 174.600 -0.002 0.000 1.133 201 S CA -0.655 57.525 58.200 -0.035 0.000 0.876 201 S CB 1.910 65.080 63.200 -0.049 0.000 1.105 201 S HN 0.355 nan 8.310 nan 0.000 0.470 202 T N 1.817 116.368 114.554 -0.004 0.000 2.952 202 T HA 0.530 4.881 4.350 0.002 0.000 0.305 202 T C -1.135 173.586 174.700 0.035 0.000 1.064 202 T CA -0.574 61.545 62.100 0.033 0.000 1.008 202 T CB 1.596 70.478 68.868 0.025 0.000 1.078 202 T HN 0.715 nan 8.240 nan 0.000 0.459 203 V N 3.760 123.739 119.914 0.108 0.000 2.370 203 V HA 0.550 4.672 4.120 0.002 0.000 0.279 203 V C 0.353 176.525 176.094 0.130 0.000 1.029 203 V CA -0.725 61.633 62.300 0.096 0.000 0.870 203 V CB 1.090 33.013 31.823 0.167 0.000 0.984 203 V HN 0.779 nan 8.190 nan 0.000 0.451 204 V N 2.908 122.893 119.914 0.118 0.000 2.612 204 V HA 0.786 4.907 4.120 0.002 0.000 0.301 204 V C -0.527 175.725 176.094 0.263 0.000 1.046 204 V CA -0.549 61.882 62.300 0.219 0.000 0.946 204 V CB 1.587 33.572 31.823 0.271 0.000 1.003 204 V HN 0.940 nan 8.190 nan 0.000 0.459 205 Q N 2.121 122.030 119.800 0.182 0.000 2.345 205 Q HA 0.545 4.886 4.340 0.002 0.000 0.275 205 Q C -0.309 175.379 176.000 -0.520 0.000 1.063 205 Q CA -0.504 55.243 55.803 -0.094 0.000 0.819 205 Q CB 2.496 31.223 28.738 -0.018 0.000 1.356 205 Q HN 1.177 nan 8.270 nan 0.000 0.418 206 S N 1.339 116.401 115.700 -1.062 0.000 2.580 206 S HA 0.245 4.716 4.470 0.002 0.000 0.266 206 S C 1.114 175.510 174.600 -0.340 0.000 1.354 206 S CA 0.091 57.659 58.200 -1.054 0.000 1.008 206 S CB 1.099 63.908 63.200 -0.651 0.000 0.898 206 S HN 0.791 nan 8.310 nan 0.000 0.555 207 A N 1.625 124.352 122.820 -0.156 0.000 1.972 207 A HA -0.058 4.264 4.320 0.002 0.000 0.219 207 A C 2.384 179.927 177.584 -0.069 0.000 1.169 207 A CA 1.697 53.692 52.037 -0.069 0.000 0.635 207 A CB -1.532 17.450 19.000 -0.031 0.000 0.810 207 A HN 1.298 nan 8.150 nan 0.000 0.446 208 S N -1.841 113.813 115.700 -0.076 0.000 2.474 208 S HA 0.261 4.732 4.470 0.002 0.000 0.235 208 S C 1.654 176.228 174.600 -0.045 0.000 0.997 208 S CA 1.303 59.471 58.200 -0.053 0.000 0.949 208 S CB -0.511 62.667 63.200 -0.037 0.000 0.766 208 S HN 1.926 nan 8.310 nan 0.000 0.517 209 G N 0.574 109.334 108.800 -0.066 0.000 2.225 209 G HA2 -0.225 3.736 3.960 0.002 0.000 0.254 209 G HA3 -0.225 3.736 3.960 0.002 0.000 0.254 209 G C 0.880 175.761 174.900 -0.031 0.000 0.988 209 G CA 0.156 45.229 45.100 -0.045 0.000 0.625 209 G HN 1.321 nan 8.290 nan 0.000 0.527 210 A N -0.693 122.112 122.820 -0.026 0.000 2.169 210 A HA 0.671 4.993 4.320 0.002 0.000 0.210 210 A C 0.891 178.510 177.584 0.059 0.000 1.168 210 A CA 1.411 53.462 52.037 0.022 0.000 0.813 210 A CB 0.482 19.507 19.000 0.042 0.000 0.861 210 A HN 1.066 nan 8.150 nan 0.000 0.481 211 V N 1.560 121.483 119.914 0.014 0.000 2.350 211 V HA 0.443 4.564 4.120 0.002 0.000 0.285 211 V C -0.632 175.518 176.094 0.093 0.000 1.014 211 V CA -0.364 62.006 62.300 0.117 0.000 0.831 211 V CB 1.079 32.990 31.823 0.147 0.000 1.000 211 V HN 0.238 nan 8.190 nan 0.000 0.433 212 T N 6.486 121.174 114.554 0.223 0.000 2.829 212 T HA 0.747 5.098 4.350 0.002 0.000 0.280 212 T C -0.525 174.346 174.700 0.285 0.000 0.999 212 T CA -0.441 61.791 62.100 0.220 0.000 0.983 212 T CB 1.441 70.440 68.868 0.218 0.000 0.968 212 T HN 0.396 nan 8.240 nan 0.000 0.446 213 L N 3.118 124.439 121.223 0.163 0.000 2.376 213 L HA 0.528 4.869 4.340 0.002 0.000 0.275 213 L C 0.454 177.278 176.870 -0.076 0.000 0.987 213 L CA -1.064 53.791 54.840 0.026 0.000 0.828 213 L CB 1.831 43.790 42.059 -0.166 0.000 1.249 213 L HN 0.734 nan 8.230 nan 0.000 0.409 214 T N 1.679 116.144 114.554 -0.149 0.000 2.811 214 T HA 0.580 4.932 4.350 0.002 0.000 0.309 214 T C -0.264 174.288 174.700 -0.247 0.000 1.005 214 T CA -0.536 61.421 62.100 -0.240 0.000 0.955 214 T CB 0.027 68.633 68.868 -0.435 0.000 0.970 214 T HN 0.339 nan 8.240 nan 0.000 0.496 215 L N 4.722 125.822 121.223 -0.205 0.000 2.292 215 L HA 0.623 4.965 4.340 0.002 0.000 0.284 215 L C -0.057 176.705 176.870 -0.180 0.000 1.065 215 L CA -0.948 53.756 54.840 -0.226 0.000 0.806 215 L CB 0.906 42.858 42.059 -0.178 0.000 1.175 215 L HN 0.595 nan 8.230 nan 0.000 0.431 216 I N 2.816 123.261 120.570 -0.208 0.000 2.533 216 I HA 0.378 4.549 4.170 0.002 0.000 0.290 216 I C -0.479 175.547 176.117 -0.152 0.000 1.056 216 I CA -0.531 60.659 61.300 -0.183 0.000 1.057 216 I CB 2.218 40.073 38.000 -0.242 0.000 1.240 216 I HN 0.685 nan 8.210 nan 0.000 0.423 217 E N 6.043 126.180 120.200 -0.104 0.000 2.336 217 E HA 0.641 4.992 4.350 0.002 0.000 0.267 217 E C -2.929 173.635 176.600 -0.060 0.000 0.906 217 E CA -2.489 53.869 56.400 -0.070 0.000 0.781 217 E CB 2.193 31.870 29.700 -0.038 0.000 1.261 217 E HN 0.127 nan 8.360 nan 0.000 0.436 218 P HA 0.014 nan 4.420 nan 0.000 0.268 218 P C -0.857 176.441 177.300 -0.005 0.000 1.205 218 P CA -0.009 63.078 63.100 -0.023 0.000 0.771 218 P CB 0.404 32.104 31.700 -0.000 0.000 0.858 219 D N 2.524 122.927 120.400 0.005 0.000 2.352 219 D HA 0.046 4.687 4.640 0.002 0.000 0.245 219 D C 0.960 177.281 176.300 0.035 0.000 1.224 219 D CA 0.018 54.046 54.000 0.046 0.000 0.879 219 D CB 0.271 41.133 40.800 0.103 0.000 1.057 219 D HN 0.158 nan 8.370 nan 0.000 0.491 220 R N 2.614 123.131 120.500 0.028 0.000 2.316 220 R HA 0.002 4.343 4.340 0.002 0.000 0.202 220 R C 0.991 177.306 176.300 0.024 0.000 1.029 220 R CA 0.321 56.434 56.100 0.022 0.000 1.018 220 R CB 0.246 30.556 30.300 0.017 0.000 0.888 220 R HN 0.378 nan 8.270 nan 0.000 0.471 221 N N 0.013 118.732 118.700 0.032 0.000 2.463 221 N HA 0.004 4.746 4.740 0.002 0.000 0.181 221 N C 0.221 175.753 175.510 0.035 0.000 1.078 221 N CA 0.555 53.623 53.050 0.030 0.000 0.902 221 N CB 0.417 38.921 38.487 0.030 0.000 0.970 221 N HN 0.155 nan 8.380 nan 0.000 0.451 222 A N 0.126 122.970 122.820 0.040 0.000 2.352 222 A HA 0.453 4.774 4.320 0.002 0.000 0.299 222 A C -0.403 177.194 177.584 0.022 0.000 1.160 222 A CA -0.618 51.438 52.037 0.033 0.000 0.933 222 A CB 0.658 19.679 19.000 0.034 0.000 1.387 222 A HN -0.053 nan 8.150 nan 0.000 0.487 223 D N 0.818 121.229 120.400 0.019 0.000 2.339 223 D HA 0.424 5.065 4.640 0.002 0.000 0.245 223 D C -2.373 173.937 176.300 0.017 0.000 1.115 223 D CA -0.762 53.248 54.000 0.018 0.000 0.917 223 D CB 0.162 40.973 40.800 0.018 0.000 1.192 223 D HN 0.122 nan 8.370 nan 0.000 0.428 224 P HA 0.234 nan 4.420 nan 0.000 0.269 224 P C 0.030 177.346 177.300 0.026 0.000 1.209 224 P CA -0.049 63.065 63.100 0.023 0.000 0.776 224 P CB 0.919 32.635 31.700 0.026 0.000 0.876 225 G N 0.867 109.685 108.800 0.030 0.000 3.198 225 G HA2 0.064 4.026 3.960 0.002 0.000 0.166 225 G HA3 0.064 4.026 3.960 0.002 0.000 0.166 225 G C 0.474 175.411 174.900 0.062 0.000 1.134 225 G CA -0.251 44.873 45.100 0.040 0.000 0.941 225 G HN 0.374 nan 8.290 nan 0.000 0.639 226 Q N -0.467 119.377 119.800 0.074 0.000 2.045 226 Q HA -0.139 4.202 4.340 0.002 0.000 0.206 226 Q C 2.569 178.650 176.000 0.135 0.000 0.991 226 Q CA 1.792 57.666 55.803 0.120 0.000 0.851 226 Q CB -0.227 28.603 28.738 0.154 0.000 0.911 226 Q HN 0.435 nan 8.270 nan 0.000 0.418 227 I N 1.143 121.753 120.570 0.068 0.000 2.252 227 I HA -0.209 3.962 4.170 0.002 0.000 0.245 227 I C 1.473 177.661 176.117 0.119 0.000 1.102 227 I CA 1.514 62.850 61.300 0.060 0.000 1.385 227 I CB -1.373 36.600 38.000 -0.045 0.000 1.064 227 I HN 0.184 nan 8.210 nan 0.000 0.414 228 D N 0.795 121.245 120.400 0.082 0.000 2.104 228 D HA -0.239 4.403 4.640 0.002 0.000 0.194 228 D C 2.113 178.476 176.300 0.105 0.000 0.994 228 D CA 1.321 55.371 54.000 0.084 0.000 0.830 228 D CB -0.083 40.750 40.800 0.055 0.000 0.959 228 D HN 0.284 nan 8.370 nan 0.000 0.452 229 E N 0.097 120.365 120.200 0.112 0.000 2.058 229 E HA -0.210 4.141 4.350 0.002 0.000 0.194 229 E C 1.692 178.371 176.600 0.131 0.000 0.997 229 E CA 0.910 57.377 56.400 0.111 0.000 0.801 229 E CB -0.460 29.310 29.700 0.116 0.000 0.746 229 E HN 0.370 nan 8.360 nan 0.000 0.450 230 F N 0.446 120.432 119.950 0.060 0.000 2.091 230 F HA -0.207 4.321 4.527 0.002 0.000 0.299 230 F C 1.895 177.737 175.800 0.070 0.000 1.103 230 F CA 1.701 59.734 58.000 0.055 0.000 1.228 230 F CB -0.188 38.823 39.000 0.018 0.000 0.984 230 F HN 0.049 nan 8.300 nan 0.000 0.477 231 L N 0.172 121.565 121.223 0.284 0.000 2.046 231 L HA -0.229 4.112 4.340 0.002 0.000 0.208 231 L C 2.546 179.460 176.870 0.073 0.000 1.077 231 L CA 1.784 56.749 54.840 0.207 0.000 0.747 231 L CB -0.790 41.377 42.059 0.180 0.000 0.896 231 L HN 0.142 nan 8.230 nan 0.000 0.432 232 K N 0.223 120.651 120.400 0.046 0.000 1.984 232 K HA -0.193 4.128 4.320 0.002 0.000 0.209 232 K C 1.724 178.307 176.600 -0.029 0.000 1.046 232 K CA 1.894 58.188 56.287 0.013 0.000 0.934 232 K CB -0.012 32.502 32.500 0.023 0.000 0.717 232 K HN 0.186 nan 8.250 nan 0.000 0.438 233 D N -0.500 119.867 120.400 -0.054 0.000 2.117 233 D HA -0.165 4.476 4.640 0.002 0.000 0.197 233 D C 1.918 178.133 176.300 -0.141 0.000 0.987 233 D CA 1.270 55.218 54.000 -0.085 0.000 0.829 233 D CB -0.378 40.379 40.800 -0.072 0.000 0.961 233 D HN 0.405 nan 8.370 nan 0.000 0.460 234 H N 0.581 119.417 119.070 -0.390 0.000 2.462 234 H HA 0.035 4.592 4.556 0.002 0.000 0.292 234 H C 0.082 175.378 175.328 -0.052 0.000 1.049 234 H CA 1.180 56.998 56.048 -0.383 0.000 1.334 234 H CB 0.141 29.381 29.762 -0.870 0.000 1.404 234 H HN -0.034 nan 8.280 nan 0.000 0.544 235 Q N -1.217 118.547 119.800 -0.061 0.000 2.479 235 Q HA -0.132 4.210 4.340 0.002 0.000 0.282 235 Q C 0.066 176.104 176.000 0.062 0.000 1.279 235 Q CA 0.369 56.143 55.803 -0.048 0.000 0.815 235 Q CB -1.769 26.874 28.738 -0.159 0.000 1.204 235 Q HN 0.785 nan 8.270 nan 0.000 0.444 236 G N -1.490 107.410 108.800 0.168 0.000 2.369 236 G HA2 0.466 4.427 3.960 0.002 0.000 0.293 236 G HA3 0.466 4.427 3.960 0.002 0.000 0.293 236 G C -1.322 173.792 174.900 0.356 0.000 1.301 236 G CA -0.331 44.911 45.100 0.237 0.000 0.913 236 G HN 0.671 nan 8.290 nan 0.000 0.540 237 A N -1.035 121.952 122.820 0.279 0.000 2.351 237 A HA 0.979 5.300 4.320 0.002 0.000 0.257 237 A C 0.909 178.685 177.584 0.320 0.000 1.087 237 A CA 1.143 53.333 52.037 0.255 0.000 0.798 237 A CB 0.863 19.977 19.000 0.192 0.000 1.033 237 A HN 2.603 nan 8.150 nan 0.000 0.488 238 G N -1.241 107.670 108.800 0.186 0.000 2.441 238 G HA2 0.474 4.435 3.960 0.002 0.000 0.294 238 G HA3 0.474 4.435 3.960 0.002 0.000 0.294 238 G C -1.371 173.432 174.900 -0.162 0.000 1.393 238 G CA -0.452 44.698 45.100 0.083 0.000 0.796 238 G HN 1.006 nan 8.290 nan 0.000 0.494 239 V N 1.746 121.615 119.914 -0.075 0.000 2.415 239 V HA 0.142 4.264 4.120 0.002 0.000 0.267 239 V C 1.597 177.467 176.094 -0.373 0.000 1.042 239 V CA 0.518 62.688 62.300 -0.215 0.000 1.000 239 V CB 1.091 32.901 31.823 -0.021 0.000 1.015 239 V HN 0.868 nan 8.190 nan 0.000 0.478 240 Q N 4.610 123.983 119.800 -0.711 0.000 2.062 240 Q HA -0.018 4.323 4.340 0.002 0.000 0.196 240 Q C 0.486 175.966 176.000 -0.867 0.000 0.967 240 Q CA 1.046 56.341 55.803 -0.846 0.000 0.832 240 Q CB 0.336 28.486 28.738 -0.980 0.000 0.899 240 Q HN 0.942 nan 8.270 nan 0.000 0.442 241 H N -2.483 116.065 119.070 -0.869 0.000 3.016 241 H HA 0.455 5.012 4.556 0.002 0.000 0.362 241 H C -1.349 173.655 175.328 -0.540 0.000 1.233 241 H CA -0.988 54.478 56.048 -0.970 0.000 1.124 241 H CB 0.779 29.694 29.762 -1.411 0.000 1.850 241 H HN 0.054 nan 8.280 nan 0.000 0.549 242 I N 1.705 122.090 120.570 -0.308 0.000 2.378 242 I HA 0.471 4.643 4.170 0.002 0.000 0.291 242 I C 0.144 175.950 176.117 -0.519 0.000 0.992 242 I CA -0.861 60.184 61.300 -0.424 0.000 1.154 242 I CB 1.721 39.558 38.000 -0.272 0.000 1.315 242 I HN 0.719 nan 8.210 nan 0.000 0.448 243 A N 6.843 129.219 122.820 -0.739 0.000 2.274 243 A HA 0.736 5.058 4.320 0.002 0.000 0.309 243 A C -0.989 176.247 177.584 -0.580 0.000 1.226 243 A CA -0.198 51.512 52.037 -0.545 0.000 0.853 243 A CB 0.090 18.692 19.000 -0.662 0.000 1.146 243 A HN 0.509 nan 8.150 nan 0.000 0.518 244 F N 1.331 121.327 119.950 0.077 0.000 2.436 244 F HA 0.321 4.849 4.527 0.002 0.000 0.340 244 F C 0.520 176.382 175.800 0.103 0.000 1.113 244 F CA -0.627 57.424 58.000 0.084 0.000 1.022 244 F CB 1.483 40.574 39.000 0.153 0.000 1.128 244 F HN 0.604 nan 8.300 nan 0.000 0.466 245 N N 1.141 119.981 118.700 0.233 0.000 2.513 245 N HA 0.421 5.163 4.740 0.002 0.000 0.268 245 N C -0.581 175.028 175.510 0.165 0.000 1.180 245 N CA -0.061 53.089 53.050 0.167 0.000 0.948 245 N CB 0.774 39.327 38.487 0.109 0.000 1.083 245 N HN 0.677 nan 8.380 nan 0.000 0.455 246 S N 0.914 116.702 115.700 0.147 0.000 2.627 246 S HA 0.412 4.883 4.470 0.002 0.000 0.283 246 S C 0.305 174.962 174.600 0.095 0.000 1.127 246 S CA -0.929 57.337 58.200 0.111 0.000 0.863 246 S CB 1.478 64.746 63.200 0.113 0.000 1.121 246 S HN 0.388 nan 8.310 nan 0.000 0.479 247 N N 0.908 119.648 118.700 0.068 0.000 2.457 247 N HA 0.104 4.845 4.740 0.002 0.000 0.180 247 N C -0.704 174.846 175.510 0.066 0.000 1.050 247 N CA 0.896 53.979 53.050 0.055 0.000 0.906 247 N CB -0.192 38.313 38.487 0.031 0.000 0.968 247 N HN 0.758 nan 8.380 nan 0.000 0.445 248 D N -1.116 119.332 120.400 0.081 0.000 2.312 248 D HA 0.246 4.887 4.640 0.002 0.000 0.229 248 D C 0.148 176.479 176.300 0.051 0.000 1.337 248 D CA -0.292 53.767 54.000 0.099 0.000 0.964 248 D CB 0.657 41.500 40.800 0.072 0.000 1.456 248 D HN -0.040 nan 8.370 nan 0.000 0.547 249 A N 2.427 125.275 122.820 0.047 0.000 1.930 249 A HA -0.053 4.268 4.320 0.002 0.000 0.217 249 A C 2.112 179.591 177.584 -0.175 0.000 1.175 249 A CA 1.439 53.463 52.037 -0.023 0.000 0.627 249 A CB -0.182 18.845 19.000 0.046 0.000 0.815 249 A HN 0.426 nan 8.150 nan 0.000 0.443 250 V N 0.400 120.101 119.914 -0.355 0.000 2.255 250 V HA -0.287 3.834 4.120 0.002 0.000 0.247 250 V C 2.695 178.660 176.094 -0.216 0.000 1.051 250 V CA 2.383 64.453 62.300 -0.383 0.000 1.018 250 V CB -0.794 30.673 31.823 -0.594 0.000 0.641 250 V HN 0.718 nan 8.190 nan 0.000 0.445 251 R N 0.202 120.621 120.500 -0.134 0.000 2.120 251 R HA -0.125 4.216 4.340 0.002 0.000 0.234 251 R C 2.174 178.440 176.300 -0.058 0.000 1.123 251 R CA 1.559 57.614 56.100 -0.075 0.000 0.975 251 R CB -0.325 29.955 30.300 -0.032 0.000 0.866 251 R HN 0.490 nan 8.270 nan 0.000 0.446 252 A N 0.374 123.164 122.820 -0.050 0.000 1.897 252 A HA -0.038 4.283 4.320 0.002 0.000 0.215 252 A C 2.231 179.790 177.584 -0.042 0.000 1.181 252 A CA 1.149 53.184 52.037 -0.004 0.000 0.620 252 A CB -0.395 18.637 19.000 0.053 0.000 0.821 252 A HN 0.199 nan 8.150 nan 0.000 0.443 253 V N 0.413 120.202 119.914 -0.209 0.000 2.343 253 V HA -0.302 3.820 4.120 0.002 0.000 0.247 253 V C 2.469 178.458 176.094 -0.175 0.000 1.051 253 V CA 2.411 64.434 62.300 -0.461 0.000 1.036 253 V CB -0.691 30.694 31.823 -0.730 0.000 0.654 253 V HN 0.551 nan 8.190 nan 0.000 0.451 254 K N 0.238 120.564 120.400 -0.124 0.000 2.009 254 K HA -0.194 4.127 4.320 0.002 0.000 0.210 254 K C 2.335 178.932 176.600 -0.005 0.000 1.049 254 K CA 1.698 57.951 56.287 -0.056 0.000 0.929 254 K CB -0.531 31.929 32.500 -0.066 0.000 0.714 254 K HN 0.469 nan 8.250 nan 0.000 0.440 255 A N 1.354 124.173 122.820 -0.003 0.000 1.902 255 A HA -0.146 4.176 4.320 0.002 0.000 0.217 255 A C 2.180 179.781 177.584 0.029 0.000 1.181 255 A CA 1.402 53.445 52.037 0.011 0.000 0.623 255 A CB -0.674 18.330 19.000 0.006 0.000 0.818 255 A HN 0.172 nan 8.150 nan 0.000 0.443 256 L N -0.716 120.554 121.223 0.078 0.000 2.093 256 L HA -0.122 4.219 4.340 0.002 0.000 0.208 256 L C 2.838 179.764 176.870 0.094 0.000 1.085 256 L CA 1.233 56.120 54.840 0.077 0.000 0.755 256 L CB -0.418 41.763 42.059 0.204 0.000 0.904 256 L HN 0.297 nan 8.230 nan 0.000 0.435 257 S N -0.191 115.645 115.700 0.227 0.000 2.374 257 S HA -0.239 4.232 4.470 0.002 0.000 0.227 257 S C 1.854 176.483 174.600 0.048 0.000 1.037 257 S CA 1.537 59.834 58.200 0.162 0.000 1.024 257 S CB -0.234 63.063 63.200 0.163 0.000 0.861 257 S HN 0.464 nan 8.310 nan 0.000 0.456 258 E N 0.474 120.691 120.200 0.029 0.000 2.150 258 E HA -0.077 4.274 4.350 0.002 0.000 0.193 258 E C 1.911 178.506 176.600 -0.008 0.000 0.985 258 E CA 0.674 57.078 56.400 0.007 0.000 0.814 258 E CB -0.057 29.645 29.700 0.005 0.000 0.752 258 E HN 0.400 nan 8.360 nan 0.000 0.466 259 R N -0.628 119.857 120.500 -0.025 0.000 2.313 259 R HA 0.080 4.421 4.340 0.002 0.000 0.199 259 R C 1.067 177.324 176.300 -0.073 0.000 0.958 259 R CA 0.532 56.604 56.100 -0.047 0.000 1.047 259 R CB 0.537 30.798 30.300 -0.065 0.000 0.955 259 R HN 0.242 nan 8.270 nan 0.000 0.481 260 G N 0.082 108.842 108.800 -0.068 0.000 2.184 260 G HA2 -0.224 3.737 3.960 0.002 0.000 0.206 260 G HA3 -0.224 3.737 3.960 0.002 0.000 0.206 260 G C 0.109 174.933 174.900 -0.127 0.000 0.995 260 G CA -0.347 44.707 45.100 -0.077 0.000 0.651 260 G HN 0.104 nan 8.290 nan 0.000 0.511 261 V N 1.428 121.220 119.914 -0.203 0.000 2.508 261 V HA 0.494 4.615 4.120 0.002 0.000 0.281 261 V C 0.587 176.486 176.094 -0.325 0.000 1.041 261 V CA 0.302 62.389 62.300 -0.355 0.000 1.016 261 V CB 1.458 32.910 31.823 -0.619 0.000 0.984 261 V HN 0.378 nan 8.190 nan 0.000 0.478 262 E N 4.964 124.989 120.200 -0.291 0.000 2.197 262 E HA 0.519 4.870 4.350 0.002 0.000 0.281 262 E C -1.066 175.362 176.600 -0.286 0.000 0.995 262 E CA -0.444 55.854 56.400 -0.170 0.000 0.808 262 E CB 1.259 30.914 29.700 -0.075 0.000 1.093 262 E HN 0.416 nan 8.360 nan 0.000 0.394 263 F N 2.307 122.273 119.950 0.026 0.000 2.432 263 F HA 0.496 5.024 4.527 0.002 0.000 0.329 263 F C 0.764 176.569 175.800 0.007 0.000 1.076 263 F CA -0.940 57.084 58.000 0.039 0.000 1.018 263 F CB 1.204 40.227 39.000 0.038 0.000 1.201 263 F HN 0.353 nan 8.300 nan 0.000 0.489 264 L N 2.050 123.391 121.223 0.197 0.000 2.452 264 L HA 0.361 4.702 4.340 0.002 0.000 0.267 264 L C 0.401 177.301 176.870 0.050 0.000 1.188 264 L CA -0.587 54.291 54.840 0.062 0.000 0.821 264 L CB 0.208 42.267 42.059 0.001 0.000 1.102 264 L HN 0.686 nan 8.230 nan 0.000 0.470 265 K N 1.059 121.467 120.400 0.015 0.000 2.172 265 K HA 0.543 4.865 4.320 0.002 0.000 0.276 265 K C -0.271 176.322 176.600 -0.012 0.000 1.013 265 K CA -0.479 55.817 56.287 0.015 0.000 0.913 265 K CB 1.265 33.776 32.500 0.018 0.000 1.055 265 K HN 0.599 nan 8.250 nan 0.000 0.461 266 T N 5.179 119.741 114.554 0.013 0.000 2.791 266 T HA 0.498 4.849 4.350 0.002 0.000 0.288 266 T C -2.431 172.343 174.700 0.125 0.000 0.999 266 T CA -1.234 60.858 62.100 -0.013 0.000 0.952 266 T CB 1.375 70.148 68.868 -0.160 0.000 0.938 266 T HN 0.620 nan 8.240 nan 0.000 0.444 267 P HA 0.171 nan 4.420 nan 0.000 0.269 267 P C 1.195 178.631 177.300 0.227 0.000 1.215 267 P CA -0.184 62.990 63.100 0.124 0.000 0.780 267 P CB 0.587 32.333 31.700 0.076 0.000 0.898 268 G N 1.744 110.667 108.800 0.204 0.000 2.450 268 G HA2 -0.286 3.675 3.960 0.002 0.000 0.220 268 G HA3 -0.286 3.675 3.960 0.002 0.000 0.220 268 G C 1.589 176.620 174.900 0.218 0.000 1.130 268 G CA 0.923 46.173 45.100 0.251 0.000 0.760 268 G HN 0.621 nan 8.290 nan 0.000 0.557 269 A N 0.418 123.321 122.820 0.138 0.000 1.929 269 A HA -0.266 4.055 4.320 0.002 0.000 0.221 269 A C 2.172 179.803 177.584 0.078 0.000 1.211 269 A CA 2.131 54.222 52.037 0.091 0.000 0.657 269 A CB -0.878 18.164 19.000 0.070 0.000 0.827 269 A HN 0.660 nan 8.150 nan 0.000 0.462 270 Y N -1.182 119.088 120.300 -0.051 0.000 2.145 270 Y HA -0.257 4.294 4.550 0.002 0.000 0.286 270 Y C 2.131 177.865 175.900 -0.277 0.000 1.145 270 Y CA 2.155 60.131 58.100 -0.206 0.000 1.148 270 Y CB -0.386 37.868 38.460 -0.343 0.000 0.981 270 Y HN 0.373 nan 8.280 nan 0.000 0.507 271 Y N 0.612 120.998 120.300 0.144 0.000 2.509 271 Y HA -0.150 4.401 4.550 0.002 0.000 0.293 271 Y C 2.051 177.926 175.900 -0.042 0.000 1.133 271 Y CA 0.992 59.111 58.100 0.031 0.000 1.283 271 Y CB -0.352 38.178 38.460 0.116 0.000 1.001 271 Y HN 0.240 nan 8.280 nan 0.000 0.555 272 D N 0.170 120.614 120.400 0.073 0.000 2.091 272 D HA -0.126 4.515 4.640 0.002 0.000 0.199 272 D C 2.075 178.351 176.300 -0.040 0.000 0.980 272 D CA 1.052 55.068 54.000 0.027 0.000 0.831 272 D CB -0.519 40.302 40.800 0.036 0.000 0.987 272 D HN 0.299 nan 8.370 nan 0.000 0.460 273 L N 0.880 122.045 121.223 -0.096 0.000 2.447 273 L HA -0.117 4.224 4.340 0.002 0.000 0.225 273 L C 2.370 179.123 176.870 -0.194 0.000 1.148 273 L CA 0.209 54.965 54.840 -0.140 0.000 0.808 273 L CB -0.148 41.814 42.059 -0.163 0.000 0.928 273 L HN 0.056 nan 8.230 nan 0.000 0.448 274 L N -0.766 120.315 121.223 -0.237 0.000 2.068 274 L HA -0.013 4.328 4.340 0.002 0.000 0.204 274 L C 2.397 179.193 176.870 -0.124 0.000 1.076 274 L CA 1.466 56.143 54.840 -0.271 0.000 0.753 274 L CB -0.550 41.314 42.059 -0.324 0.000 0.910 274 L HN 0.183 nan 8.230 nan 0.000 0.439 275 G N -0.922 107.842 108.800 -0.060 0.000 2.470 275 G HA2 -0.287 3.674 3.960 0.002 0.000 0.220 275 G HA3 -0.287 3.674 3.960 0.002 0.000 0.220 275 G C 1.382 176.265 174.900 -0.028 0.000 1.121 275 G CA 0.912 45.998 45.100 -0.023 0.000 0.766 275 G HN 0.548 nan 8.290 nan 0.000 0.553 276 E N 0.256 120.430 120.200 -0.043 0.000 2.371 276 E HA 0.123 4.475 4.350 0.002 0.000 0.194 276 E C 2.184 178.758 176.600 -0.044 0.000 1.012 276 E CA 1.010 57.387 56.400 -0.038 0.000 0.860 276 E CB -0.300 29.377 29.700 -0.038 0.000 0.811 276 E HN 0.581 nan 8.360 nan 0.000 0.502 277 R N -1.576 118.885 120.500 -0.064 0.000 2.146 277 R HA 0.310 4.651 4.340 0.002 0.000 0.206 277 R C -0.119 176.154 176.300 -0.045 0.000 1.049 277 R CA 0.505 56.567 56.100 -0.064 0.000 1.029 277 R CB 0.304 30.542 30.300 -0.104 0.000 0.949 277 R HN 0.382 nan 8.270 nan 0.000 0.471 278 I N 0.089 120.635 120.570 -0.041 0.000 2.752 278 I HA 0.181 4.352 4.170 0.002 0.000 0.295 278 I C -1.428 174.688 176.117 -0.001 0.000 1.219 278 I CA -0.593 60.694 61.300 -0.022 0.000 1.030 278 I CB 2.358 40.342 38.000 -0.026 0.000 1.259 278 I HN 0.022 nan 8.210 nan 0.000 0.423 279 T N 7.174 121.734 114.554 0.010 0.000 2.788 279 T HA 0.579 4.930 4.350 0.002 0.000 0.296 279 T C -0.075 174.654 174.700 0.048 0.000 1.009 279 T CA -0.540 61.575 62.100 0.025 0.000 0.949 279 T CB -0.082 68.796 68.868 0.016 0.000 0.946 279 T HN 0.550 nan 8.240 nan 0.000 0.453 280 L N 3.834 125.106 121.223 0.082 0.000 2.506 280 L HA 0.193 4.534 4.340 0.002 0.000 0.281 280 L C 1.456 178.391 176.870 0.108 0.000 1.228 280 L CA -0.080 54.846 54.840 0.142 0.000 0.850 280 L CB 0.425 42.589 42.059 0.175 0.000 1.110 280 L HN 0.709 nan 8.230 nan 0.000 0.496 281 Q N -0.500 119.383 119.800 0.140 0.000 2.254 281 Q HA -0.001 4.340 4.340 0.002 0.000 0.259 281 Q C 1.220 177.237 176.000 0.027 0.000 0.815 281 Q CA 0.774 56.621 55.803 0.074 0.000 0.961 281 Q CB 0.797 29.575 28.738 0.067 0.000 1.140 281 Q HN 0.874 nan 8.270 nan 0.000 0.502 282 T N -2.733 111.823 114.554 0.003 0.000 2.969 282 T HA 0.265 4.616 4.350 0.002 0.000 0.258 282 T C 0.338 174.755 174.700 -0.472 0.000 0.962 282 T CA -0.254 61.694 62.100 -0.253 0.000 0.903 282 T CB 0.132 68.807 68.868 -0.321 0.000 1.177 282 T HN 0.029 nan 8.240 nan 0.000 0.511 283 H N 1.664 120.638 119.070 -0.160 0.000 2.771 283 H HA 0.678 5.235 4.556 0.002 0.000 0.367 283 H C -0.121 175.165 175.328 -0.070 0.000 1.172 283 H CA -0.469 55.467 56.048 -0.187 0.000 1.186 283 H CB 1.951 31.496 29.762 -0.362 0.000 1.790 283 H HN 0.367 nan 8.280 nan 0.000 0.556 284 S N 1.037 116.784 115.700 0.080 0.000 2.617 284 S HA 0.061 4.532 4.470 0.002 0.000 0.269 284 S C 1.309 175.942 174.600 0.055 0.000 1.292 284 S CA -0.777 57.451 58.200 0.048 0.000 1.010 284 S CB 0.735 63.944 63.200 0.015 0.000 0.944 284 S HN 0.597 nan 8.310 nan 0.000 0.536 285 L N 0.876 122.136 121.223 0.062 0.000 2.265 285 L HA -0.069 4.272 4.340 0.002 0.000 0.215 285 L C 1.222 178.096 176.870 0.007 0.000 1.117 285 L CA 1.916 56.806 54.840 0.083 0.000 0.782 285 L CB -1.295 40.820 42.059 0.093 0.000 0.914 285 L HN 0.757 nan 8.230 nan 0.000 0.441 286 D N 0.300 120.686 120.400 -0.023 0.000 2.077 286 D HA -0.174 4.467 4.640 0.002 0.000 0.196 286 D C 1.734 177.966 176.300 -0.114 0.000 0.986 286 D CA 1.254 55.213 54.000 -0.068 0.000 0.829 286 D CB -0.082 40.690 40.800 -0.047 0.000 0.983 286 D HN 0.329 nan 8.370 nan 0.000 0.453 287 D N 0.661 121.005 120.400 -0.094 0.000 2.157 287 D HA -0.179 4.462 4.640 0.002 0.000 0.191 287 D C 2.340 178.526 176.300 -0.191 0.000 1.004 287 D CA 0.779 54.696 54.000 -0.138 0.000 0.854 287 D CB -0.403 40.317 40.800 -0.134 0.000 0.936 287 D HN 0.268 nan 8.370 nan 0.000 0.446 288 L N 0.095 121.228 121.223 -0.150 0.000 2.056 288 L HA -0.099 4.242 4.340 0.002 0.000 0.207 288 L C 2.743 179.403 176.870 -0.351 0.000 1.078 288 L CA 0.835 55.615 54.840 -0.100 0.000 0.749 288 L CB -0.458 41.719 42.059 0.196 0.000 0.901 288 L HN -0.025 nan 8.230 nan 0.000 0.433 289 R N 0.534 120.653 120.500 -0.636 0.000 2.091 289 R HA -0.183 4.158 4.340 0.002 0.000 0.238 289 R C 2.323 178.320 176.300 -0.505 0.000 1.136 289 R CA 1.613 57.106 56.100 -1.011 0.000 0.959 289 R CB -0.221 29.731 30.300 -0.580 0.000 0.856 289 R HN 0.359 nan 8.270 nan 0.000 0.437 290 A N -0.381 122.257 122.820 -0.303 0.000 2.015 290 A HA -0.102 4.219 4.320 0.002 0.000 0.219 290 A C 1.850 179.332 177.584 -0.171 0.000 1.163 290 A CA 1.774 53.696 52.037 -0.193 0.000 0.646 290 A CB -0.288 18.623 19.000 -0.149 0.000 0.806 290 A HN 0.589 nan 8.150 nan 0.000 0.448 291 T N -4.555 109.880 114.554 -0.198 0.000 3.044 291 T HA 0.147 4.498 4.350 0.002 0.000 0.260 291 T C 0.523 175.129 174.700 -0.156 0.000 1.019 291 T CA 0.303 62.288 62.100 -0.192 0.000 0.921 291 T CB -0.304 68.419 68.868 -0.242 0.000 1.053 291 T HN 0.492 nan 8.240 nan 0.000 0.533 292 N N 0.804 119.440 118.700 -0.106 0.000 2.708 292 N HA -0.133 4.608 4.740 0.002 0.000 0.251 292 N C -0.310 175.229 175.510 0.049 0.000 1.123 292 N CA 0.432 53.500 53.050 0.030 0.000 0.739 292 N CB -1.660 36.839 38.487 0.020 0.000 1.113 292 N HN 0.388 nan 8.380 nan 0.000 0.561 293 V N 1.671 121.602 119.914 0.029 0.000 2.637 293 V HA 0.133 4.254 4.120 0.002 0.000 0.296 293 V C 1.032 177.231 176.094 0.176 0.000 1.046 293 V CA 0.106 62.433 62.300 0.045 0.000 1.066 293 V CB 1.203 33.009 31.823 -0.027 0.000 0.968 293 V HN 0.096 nan 8.190 nan 0.000 0.483 294 L N 4.403 125.673 121.223 0.079 0.000 2.325 294 L HA 0.777 5.118 4.340 0.002 0.000 0.279 294 L C 0.246 177.243 176.870 0.211 0.000 1.054 294 L CA -0.315 54.560 54.840 0.059 0.000 0.804 294 L CB 1.430 43.388 42.059 -0.169 0.000 1.200 294 L HN 0.726 nan 8.230 nan 0.000 0.436 295 A N 1.959 124.941 122.820 0.269 0.000 2.343 295 A HA 0.738 5.059 4.320 0.002 0.000 0.316 295 A C -1.121 176.451 177.584 -0.019 0.000 1.104 295 A CA -0.347 51.759 52.037 0.115 0.000 0.768 295 A CB 1.651 20.824 19.000 0.288 0.000 1.213 295 A HN 0.706 nan 8.150 nan 0.000 0.456 296 D N 0.094 120.384 120.400 -0.182 0.000 2.825 296 D HA 0.573 5.215 4.640 0.002 0.000 0.327 296 D C -1.189 174.992 176.300 -0.197 0.000 1.277 296 D CA -0.100 53.827 54.000 -0.122 0.000 0.950 296 D CB 1.609 42.375 40.800 -0.055 0.000 1.438 296 D HN 0.564 nan 8.370 nan 0.000 0.526 297 E N -0.225 119.900 120.200 -0.125 0.000 2.392 297 E HA 0.439 4.790 4.350 0.002 0.000 0.279 297 E C -1.852 174.701 176.600 -0.079 0.000 0.964 297 E CA -0.586 55.739 56.400 -0.125 0.000 0.777 297 E CB 2.216 31.867 29.700 -0.082 0.000 1.249 297 E HN 0.282 nan 8.360 nan 0.000 0.449 298 D N -1.208 119.126 120.400 -0.110 0.000 2.493 298 D HA 0.184 4.825 4.640 0.002 0.000 0.239 298 D C 0.583 176.827 176.300 -0.093 0.000 1.049 298 D CA -0.252 53.691 54.000 -0.094 0.000 1.008 298 D CB 0.880 41.537 40.800 -0.238 0.000 1.398 298 D HN 0.660 nan 8.370 nan 0.000 0.513 299 H N -0.621 118.447 119.070 -0.003 0.000 2.426 299 H HA -0.009 4.549 4.556 0.002 0.000 0.298 299 H C 1.480 176.796 175.328 -0.019 0.000 1.107 299 H CA 1.883 57.928 56.048 -0.005 0.000 1.298 299 H CB -0.094 29.671 29.762 0.005 0.000 1.377 299 H HN 0.286 nan 8.280 nan 0.000 0.519 300 G N -1.184 107.168 108.800 -0.747 0.000 2.838 300 G HA2 0.459 4.420 3.960 0.002 0.000 0.210 300 G HA3 0.459 4.420 3.960 0.002 0.000 0.210 300 G C 0.590 175.343 174.900 -0.245 0.000 1.153 300 G CA 0.232 45.021 45.100 -0.518 0.000 0.778 300 G HN 0.927 nan 8.290 nan 0.000 0.539 301 G N -1.034 107.638 108.800 -0.212 0.000 2.332 301 G HA2 0.227 4.188 3.960 0.002 0.000 0.265 301 G HA3 0.227 4.188 3.960 0.002 0.000 0.265 301 G C -1.363 173.434 174.900 -0.172 0.000 1.329 301 G CA -0.896 44.118 45.100 -0.144 0.000 0.949 301 G HN 0.300 nan 8.290 nan 0.000 0.476 302 Q N -0.985 118.711 119.800 -0.173 0.000 2.215 302 Q HA 0.745 5.086 4.340 0.002 0.000 0.256 302 Q C -1.242 174.504 176.000 -0.423 0.000 0.972 302 Q CA -0.821 54.795 55.803 -0.311 0.000 0.889 302 Q CB 2.573 31.097 28.738 -0.357 0.000 1.281 302 Q HN 0.470 nan 8.270 nan 0.000 0.456 303 L N 1.807 122.657 121.223 -0.622 0.000 2.406 303 L HA 0.518 4.859 4.340 0.002 0.000 0.272 303 L C -1.892 174.567 176.870 -0.686 0.000 0.980 303 L CA -0.279 54.280 54.840 -0.470 0.000 0.831 303 L CB 1.193 43.082 42.059 -0.284 0.000 1.253 303 L HN 0.471 nan 8.230 nan 0.000 0.406 304 F N 3.369 123.349 119.950 0.050 0.000 2.449 304 F HA 0.684 5.212 4.527 0.002 0.000 0.342 304 F C 0.155 175.989 175.800 0.057 0.000 1.127 304 F CA -0.462 57.579 58.000 0.068 0.000 0.975 304 F CB 1.657 40.724 39.000 0.113 0.000 1.146 304 F HN 0.393 nan 8.300 nan 0.000 0.444 305 Q N 3.400 123.297 119.800 0.161 0.000 2.423 305 Q HA 0.784 5.125 4.340 0.002 0.000 0.278 305 Q C -1.415 174.609 176.000 0.040 0.000 1.097 305 Q CA -1.063 54.808 55.803 0.112 0.000 0.809 305 Q CB 3.803 32.578 28.738 0.062 0.000 1.391 305 Q HN 0.738 nan 8.270 nan 0.000 0.428 306 I N 0.698 121.323 120.570 0.091 0.000 2.775 306 I HA 0.437 4.608 4.170 0.002 0.000 0.295 306 I C -1.671 174.656 176.117 0.349 0.000 1.287 306 I CA -0.819 60.532 61.300 0.086 0.000 1.029 306 I CB 1.497 39.525 38.000 0.045 0.000 1.282 306 I HN 0.481 nan 8.210 nan 0.000 0.426 307 F N 3.776 123.787 119.950 0.101 0.000 2.397 307 F HA 0.460 4.988 4.527 0.002 0.000 0.331 307 F C 0.850 176.766 175.800 0.194 0.000 1.090 307 F CA -0.653 57.406 58.000 0.097 0.000 1.065 307 F CB 1.721 40.607 39.000 -0.189 0.000 1.184 307 F HN 0.293 nan 8.300 nan 0.000 0.499 308 T N 1.862 116.633 114.554 0.363 0.000 2.922 308 T HA 0.621 4.972 4.350 0.002 0.000 0.285 308 T C -0.194 174.504 174.700 -0.005 0.000 1.005 308 T CA -0.409 61.756 62.100 0.109 0.000 1.061 308 T CB 0.940 69.950 68.868 0.236 0.000 1.007 308 T HN 0.688 nan 8.240 nan 0.000 0.502 309 A N 2.349 125.137 122.820 -0.054 0.000 2.354 309 A HA 0.527 4.848 4.320 0.002 0.000 0.269 309 A C 0.605 178.200 177.584 0.018 0.000 1.109 309 A CA -0.415 51.576 52.037 -0.077 0.000 0.800 309 A CB 0.317 19.278 19.000 -0.065 0.000 1.045 309 A HN 0.721 nan 8.150 nan 0.000 0.489 310 S N 0.523 116.247 115.700 0.041 0.000 2.531 310 S HA 0.270 4.741 4.470 0.002 0.000 0.279 310 S C 1.244 175.982 174.600 0.230 0.000 1.305 310 S CA 0.282 58.603 58.200 0.201 0.000 1.058 310 S CB 0.086 63.449 63.200 0.272 0.000 0.899 310 S HN 1.144 nan 8.310 nan 0.000 0.493 311 T N 1.897 116.599 114.554 0.246 0.000 3.145 311 T HA 0.181 4.533 4.350 0.002 0.000 0.255 311 T C 0.515 175.352 174.700 0.228 0.000 1.039 311 T CA -0.330 61.897 62.100 0.211 0.000 0.928 311 T CB -0.311 68.634 68.868 0.128 0.000 1.029 311 T HN 0.747 nan 8.240 nan 0.000 0.554 312 H N 2.404 121.581 119.070 0.179 0.000 2.629 312 H HA 0.211 4.768 4.556 0.002 0.000 0.357 312 H C -1.798 173.522 175.328 -0.013 0.000 1.121 312 H CA -1.721 54.395 56.048 0.113 0.000 1.406 312 H CB 1.965 31.811 29.762 0.141 0.000 1.456 312 H HN -0.057 nan 8.280 nan 0.000 0.579 313 P HA -0.103 nan 4.420 nan 0.000 0.219 313 P C 0.816 177.987 177.300 -0.214 0.000 1.146 313 P CA 1.421 64.388 63.100 -0.220 0.000 0.808 313 P CB 0.177 31.747 31.700 -0.217 0.000 0.779 314 R N -2.476 118.134 120.500 0.183 0.000 2.317 314 R HA 0.073 4.415 4.340 0.002 0.000 0.208 314 R C 0.017 176.328 176.300 0.018 0.000 0.914 314 R CA -0.041 56.096 56.100 0.060 0.000 1.060 314 R CB -0.510 29.869 30.300 0.133 0.000 1.015 314 R HN 0.256 nan 8.270 nan 0.000 0.498 315 H N -0.176 119.037 119.070 0.237 0.000 2.862 315 H HA -0.146 4.412 4.556 0.002 0.000 0.290 315 H C 1.179 176.580 175.328 0.122 0.000 1.211 315 H CA 1.208 57.351 56.048 0.157 0.000 1.140 315 H CB -2.029 27.796 29.762 0.105 0.000 1.341 315 H HN 0.457 nan 8.280 nan 0.000 0.392 316 T N -2.595 112.003 114.554 0.073 0.000 2.896 316 T HA 0.141 4.492 4.350 0.002 0.000 0.238 316 T C 1.456 176.287 174.700 0.220 0.000 1.045 316 T CA 0.352 62.466 62.100 0.023 0.000 1.248 316 T CB 0.510 69.148 68.868 -0.384 0.000 0.955 316 T HN 0.299 nan 8.240 nan 0.000 0.416 317 I N 2.372 122.958 120.570 0.026 0.000 2.638 317 I HA 0.472 4.643 4.170 0.002 0.000 0.286 317 I C -0.621 175.404 176.117 -0.153 0.000 1.088 317 I CA -0.935 60.295 61.300 -0.116 0.000 1.397 317 I CB 0.503 38.441 38.000 -0.104 0.000 1.414 317 I HN 0.537 nan 8.210 nan 0.000 0.566 318 F N 4.777 124.372 119.950 -0.592 0.000 2.869 318 F HA 0.694 5.223 4.527 0.002 0.000 0.325 318 F C -1.893 173.171 175.800 -1.228 0.000 1.184 318 F CA -1.184 56.386 58.000 -0.718 0.000 0.951 318 F CB 0.779 39.575 39.000 -0.341 0.000 1.421 318 F HN 0.169 nan 8.300 nan 0.000 0.501 319 F N -0.167 119.951 119.950 0.281 0.000 2.654 319 F HA 0.666 5.194 4.527 0.002 0.000 0.334 319 F C -0.603 175.371 175.800 0.290 0.000 1.078 319 F CA -0.926 57.208 58.000 0.224 0.000 0.986 319 F CB 2.028 41.274 39.000 0.411 0.000 1.362 319 F HN 0.721 nan 8.300 nan 0.000 0.498 320 E N 0.427 120.907 120.200 0.466 0.000 2.331 320 E HA 0.646 4.997 4.350 0.002 0.000 0.275 320 E C -2.236 174.658 176.600 0.491 0.000 0.895 320 E CA -0.682 55.999 56.400 0.469 0.000 0.753 320 E CB 2.472 32.390 29.700 0.364 0.000 1.216 320 E HN 0.413 nan 8.360 nan 0.000 0.434 321 V N 5.371 125.581 119.914 0.493 0.000 2.435 321 V HA 0.510 4.631 4.120 0.002 0.000 0.290 321 V C -0.005 176.264 176.094 0.292 0.000 1.030 321 V CA -0.650 61.894 62.300 0.406 0.000 0.881 321 V CB 1.349 33.395 31.823 0.371 0.000 0.983 321 V HN 0.686 nan 8.190 nan 0.000 0.445 322 I N 3.741 124.467 120.570 0.258 0.000 2.569 322 I HA 0.556 4.727 4.170 0.002 0.000 0.290 322 I C -0.750 175.486 176.117 0.199 0.000 1.088 322 I CA -0.287 61.148 61.300 0.225 0.000 1.047 322 I CB 1.846 39.992 38.000 0.243 0.000 1.237 322 I HN 0.788 nan 8.210 nan 0.000 0.421 323 E N 8.018 128.354 120.200 0.226 0.000 2.176 323 E HA 0.458 4.809 4.350 0.002 0.000 0.267 323 E C -1.279 175.444 176.600 0.205 0.000 0.893 323 E CA -0.814 55.724 56.400 0.229 0.000 0.761 323 E CB 1.525 31.407 29.700 0.302 0.000 1.133 323 E HN 0.610 nan 8.360 nan 0.000 0.409 324 R N 2.980 123.544 120.500 0.106 0.000 2.294 324 R HA 0.247 4.588 4.340 0.002 0.000 0.319 324 R C -0.487 175.839 176.300 0.042 0.000 0.984 324 R CA -0.607 55.502 56.100 0.016 0.000 0.861 324 R CB 1.323 31.594 30.300 -0.049 0.000 1.104 324 R HN 0.412 nan 8.270 nan 0.000 0.451 325 Q N 1.836 121.650 119.800 0.022 0.000 2.788 325 Q HA 0.205 4.546 4.340 0.002 0.000 0.285 325 Q C 0.674 176.651 176.000 -0.040 0.000 1.063 325 Q CA -0.014 55.807 55.803 0.032 0.000 0.958 325 Q CB 1.586 30.399 28.738 0.124 0.000 1.211 325 Q HN 1.109 nan 8.270 nan 0.000 0.478 326 G N 1.063 109.825 108.800 -0.064 0.000 2.268 326 G HA2 -0.332 3.629 3.960 0.002 0.000 0.240 326 G HA3 -0.332 3.629 3.960 0.002 0.000 0.240 326 G C 0.488 175.286 174.900 -0.170 0.000 1.010 326 G CA -0.086 44.954 45.100 -0.100 0.000 0.618 326 G HN 0.713 nan 8.290 nan 0.000 0.516 327 A N 0.819 123.524 122.820 -0.192 0.000 2.566 327 A HA 0.546 4.867 4.320 0.002 0.000 0.245 327 A C 1.634 179.050 177.584 -0.279 0.000 1.056 327 A CA 1.553 53.429 52.037 -0.267 0.000 0.757 327 A CB 0.419 19.255 19.000 -0.274 0.000 0.979 327 A HN 1.637 nan 8.150 nan 0.000 0.508 328 G N 1.125 109.737 108.800 -0.314 0.000 2.656 328 G HA2 0.263 4.224 3.960 0.002 0.000 0.211 328 G HA3 0.263 4.224 3.960 0.002 0.000 0.211 328 G C 0.918 175.636 174.900 -0.303 0.000 1.137 328 G CA 1.307 46.267 45.100 -0.233 0.000 0.802 328 G HN 0.991 nan 8.290 nan 0.000 0.527 329 T N -1.922 112.391 114.554 -0.401 0.000 1.654 329 T HA 0.683 5.035 4.350 0.002 0.000 0.183 329 T C -0.085 173.860 174.700 -1.257 0.000 0.710 329 T CA -0.565 61.160 62.100 -0.626 0.000 1.182 329 T CB 0.857 69.632 68.868 -0.156 0.000 3.311 329 T HN -0.106 nan 8.240 nan 0.000 0.424 330 F N 0.017 119.548 119.950 -0.698 0.000 2.814 330 F HA 0.806 5.335 4.527 0.002 0.000 0.353 330 F C 0.546 176.096 175.800 -0.415 0.000 1.177 330 F CA -0.810 56.769 58.000 -0.702 0.000 1.036 330 F CB 1.736 40.117 39.000 -1.033 0.000 1.455 330 F HN 0.961 nan 8.300 nan 0.000 0.520 331 G N -0.536 108.278 108.800 0.024 0.000 2.753 331 G HA2 0.409 4.370 3.960 0.002 0.000 0.297 331 G HA3 0.409 4.370 3.960 0.002 0.000 0.297 331 G C -0.216 174.808 174.900 0.208 0.000 1.430 331 G CA -0.466 44.732 45.100 0.163 0.000 1.040 331 G HN 0.505 nan 8.290 nan 0.000 0.530 332 S N 0.798 116.651 115.700 0.256 0.000 2.392 332 S HA -0.227 4.244 4.470 0.002 0.000 0.232 332 S C 2.630 177.305 174.600 0.124 0.000 1.041 332 S CA 2.228 60.543 58.200 0.192 0.000 1.026 332 S CB -0.057 63.226 63.200 0.139 0.000 0.845 332 S HN 0.777 nan 8.310 nan 0.000 0.465 333 S N 1.423 117.181 115.700 0.097 0.000 2.362 333 S HA -0.059 4.412 4.470 0.002 0.000 0.221 333 S C 1.769 176.418 174.600 0.081 0.000 1.032 333 S CA 0.982 59.231 58.200 0.082 0.000 0.973 333 S CB -0.471 62.765 63.200 0.060 0.000 0.849 333 S HN 0.423 nan 8.310 nan 0.000 0.465 334 N N 1.736 120.470 118.700 0.057 0.000 2.094 334 N HA -0.023 4.719 4.740 0.002 0.000 0.191 334 N C 1.667 177.157 175.510 -0.033 0.000 1.023 334 N CA 1.771 54.820 53.050 -0.002 0.000 0.857 334 N CB -0.532 37.948 38.487 -0.012 0.000 1.013 334 N HN 0.520 nan 8.380 nan 0.000 0.426 335 I N 0.503 121.107 120.570 0.057 0.000 2.252 335 I HA -0.211 3.961 4.170 0.002 0.000 0.245 335 I C 2.336 178.549 176.117 0.160 0.000 1.102 335 I CA 0.875 62.253 61.300 0.130 0.000 1.385 335 I CB -0.196 37.928 38.000 0.206 0.000 1.064 335 I HN 0.151 nan 8.210 nan 0.000 0.414 336 K N 1.599 122.064 120.400 0.107 0.000 2.057 336 K HA -0.161 4.161 4.320 0.002 0.000 0.207 336 K C 2.191 178.815 176.600 0.040 0.000 1.049 336 K CA 1.529 57.872 56.287 0.094 0.000 0.931 336 K CB -0.099 32.444 32.500 0.070 0.000 0.714 336 K HN 0.269 nan 8.250 nan 0.000 0.440 337 A N 0.933 123.735 122.820 -0.029 0.000 2.015 337 A HA -0.053 4.268 4.320 0.002 0.000 0.219 337 A C 2.028 179.445 177.584 -0.278 0.000 1.163 337 A CA 0.972 52.920 52.037 -0.148 0.000 0.646 337 A CB -0.381 18.482 19.000 -0.228 0.000 0.806 337 A HN 0.306 nan 8.150 nan 0.000 0.448 338 L N -2.353 118.645 121.223 -0.376 0.000 2.044 338 L HA -0.134 4.207 4.340 0.002 0.000 0.205 338 L C 2.398 178.927 176.870 -0.568 0.000 1.075 338 L CA 1.252 55.620 54.840 -0.785 0.000 0.747 338 L CB -0.537 40.736 42.059 -1.310 0.000 0.903 338 L HN 0.476 nan 8.230 nan 0.000 0.435 339 Y N -0.288 119.976 120.300 -0.059 0.000 2.439 339 Y HA -0.155 4.396 4.550 0.002 0.000 0.292 339 Y C 2.485 178.388 175.900 0.005 0.000 1.130 339 Y CA 0.765 58.897 58.100 0.055 0.000 1.254 339 Y CB -0.061 38.448 38.460 0.082 0.000 1.000 339 Y HN 0.192 nan 8.280 nan 0.000 0.554 340 E N -0.059 120.169 120.200 0.046 0.000 2.112 340 E HA -0.132 4.219 4.350 0.002 0.000 0.190 340 E C 2.404 178.980 176.600 -0.041 0.000 0.979 340 E CA 0.712 57.117 56.400 0.008 0.000 0.814 340 E CB -0.155 29.541 29.700 -0.006 0.000 0.762 340 E HN 0.426 nan 8.360 nan 0.000 0.460 341 A N 0.699 123.452 122.820 -0.111 0.000 1.917 341 A HA -0.208 4.113 4.320 0.002 0.000 0.219 341 A C 2.414 179.958 177.584 -0.068 0.000 1.182 341 A CA 1.478 53.450 52.037 -0.109 0.000 0.633 341 A CB -0.741 18.157 19.000 -0.170 0.000 0.819 341 A HN 0.150 nan 8.150 nan 0.000 0.448 342 V N -0.300 119.587 119.914 -0.045 0.000 2.307 342 V HA -0.225 3.896 4.120 0.002 0.000 0.245 342 V C 2.573 178.668 176.094 0.002 0.000 1.045 342 V CA 2.369 64.648 62.300 -0.035 0.000 1.024 342 V CB -0.726 31.121 31.823 0.040 0.000 0.651 342 V HN 0.721 nan 8.190 nan 0.000 0.449 343 E N 0.373 120.597 120.200 0.040 0.000 2.085 343 E HA -0.250 4.101 4.350 0.002 0.000 0.194 343 E C 1.959 178.567 176.600 0.012 0.000 0.994 343 E CA 1.464 57.888 56.400 0.039 0.000 0.801 343 E CB -0.488 29.242 29.700 0.051 0.000 0.743 343 E HN 0.386 nan 8.360 nan 0.000 0.453 344 L N 1.280 122.502 121.223 -0.002 0.000 2.042 344 L HA -0.177 4.165 4.340 0.002 0.000 0.210 344 L C 2.249 179.108 176.870 -0.018 0.000 1.076 344 L CA 2.272 57.106 54.840 -0.009 0.000 0.749 344 L CB -0.695 41.355 42.059 -0.015 0.000 0.893 344 L HN 0.293 nan 8.230 nan 0.000 0.432 345 E N -0.656 119.523 120.200 -0.034 0.000 2.106 345 E HA -0.215 4.137 4.350 0.002 0.000 0.192 345 E C 2.100 178.670 176.600 -0.049 0.000 0.984 345 E CA 1.098 57.468 56.400 -0.051 0.000 0.806 345 E CB 0.086 29.738 29.700 -0.081 0.000 0.750 345 E HN 0.543 nan 8.360 nan 0.000 0.458 346 R N -1.224 119.257 120.500 -0.032 0.000 2.265 346 R HA 0.108 4.450 4.340 0.002 0.000 0.194 346 R C 1.585 177.883 176.300 -0.002 0.000 0.931 346 R CA 0.716 56.803 56.100 -0.022 0.000 1.032 346 R CB 0.478 30.778 30.300 0.000 0.000 0.980 346 R HN 0.011 nan 8.270 nan 0.000 0.497 347 T N -0.729 113.827 114.554 0.003 0.000 2.999 347 T HA 0.251 4.602 4.350 0.002 0.000 0.247 347 T C 0.503 175.206 174.700 0.006 0.000 1.012 347 T CA 0.722 62.828 62.100 0.010 0.000 1.048 347 T CB 0.949 69.828 68.868 0.018 0.000 1.020 347 T HN 0.514 nan 8.240 nan 0.000 0.478 348 G N 0.000 108.800 108.800 0.000 0.000 5.446 348 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 348 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 348 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 348 G HN 0.000 nan 8.290 nan 0.000 0.925