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 3hwx_1_Z DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLYXXMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN GGQIFSLLPT PQSERERFYL MPQNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 S N 2.238 117.934 115.700 -0.007 0.000 2.671 2 S HA 0.230 4.700 4.470 -0.001 0.000 0.331 2 S C 0.931 175.546 174.600 0.026 0.000 1.182 2 S CA -0.324 57.883 58.200 0.011 0.000 1.276 2 S CB -0.283 62.932 63.200 0.025 0.000 1.360 2 S HN 0.396 nan 8.310 nan 0.000 0.563 3 V N 5.274 125.193 119.914 0.009 0.000 2.317 3 V HA -0.186 3.934 4.120 -0.001 0.000 0.251 3 V C 2.665 178.794 176.094 0.059 0.000 1.065 3 V CA 2.346 64.659 62.300 0.022 0.000 1.049 3 V CB -1.268 30.550 31.823 -0.008 0.000 0.651 3 V HN 0.836 nan 8.190 nan 0.000 0.450 4 S N -0.266 115.455 115.700 0.035 0.000 2.368 4 S HA -0.287 4.183 4.470 -0.001 0.000 0.226 4 S C 2.204 176.824 174.600 0.033 0.000 1.044 4 S CA 1.828 60.039 58.200 0.018 0.000 1.062 4 S CB -0.548 62.664 63.200 0.020 0.000 0.931 4 S HN 0.704 nan 8.310 nan 0.000 0.440 5 A N 0.103 122.956 122.820 0.056 0.000 1.902 5 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 5 A C 1.947 179.584 177.584 0.088 0.000 1.181 5 A CA 1.523 53.598 52.037 0.063 0.000 0.623 5 A CB -0.801 18.238 19.000 0.065 0.000 0.818 5 A HN 0.557 nan 8.150 nan 0.000 0.443 6 F N 1.178 121.109 119.950 -0.032 0.000 2.259 6 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 6 F C 2.059 177.870 175.800 0.020 0.000 1.088 6 F CA 1.496 59.456 58.000 -0.066 0.000 1.358 6 F CB -0.154 38.744 39.000 -0.170 0.000 1.040 6 F HN 0.187 nan 8.300 nan 0.000 0.505 7 N N 0.972 119.749 118.700 0.128 0.000 2.043 7 N HA -0.197 4.543 4.740 -0.001 0.000 0.193 7 N C 1.915 177.512 175.510 0.145 0.000 1.037 7 N CA 1.838 54.990 53.050 0.170 0.000 0.851 7 N CB -0.499 38.097 38.487 0.181 0.000 1.027 7 N HN 0.375 nan 8.380 nan 0.000 0.422 8 R N 0.829 121.353 120.500 0.039 0.000 2.081 8 R HA 0.039 4.379 4.340 -0.001 0.000 0.235 8 R C 2.298 178.650 176.300 0.086 0.000 1.131 8 R CA 0.799 56.920 56.100 0.035 0.000 0.960 8 R CB -0.182 30.119 30.300 0.001 0.000 0.856 8 R HN 0.261 nan 8.270 nan 0.000 0.436 9 R N 0.310 120.825 120.500 0.025 0.000 2.083 9 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 9 R C 2.111 178.472 176.300 0.101 0.000 1.137 9 R CA 1.469 57.588 56.100 0.032 0.000 0.951 9 R CB -0.586 29.669 30.300 -0.075 0.000 0.851 9 R HN 0.479 nan 8.270 nan 0.000 0.434 10 W N 1.820 122.926 121.300 -0.323 0.000 2.338 10 W HA -0.200 4.460 4.660 -0.000 0.000 0.304 10 W C 1.911 178.506 176.519 0.128 0.000 1.212 10 W CA 1.796 59.047 57.345 -0.155 0.000 1.264 10 W CB -0.340 28.904 29.460 -0.360 0.000 1.142 10 W HN 0.100 nan 8.180 nan 0.000 0.512 11 A N 1.331 124.436 122.820 0.475 0.000 1.845 11 A HA -0.119 4.201 4.320 -0.001 0.000 0.215 11 A C 2.311 180.043 177.584 0.248 0.000 1.195 11 A CA 3.213 55.485 52.037 0.393 0.000 0.616 11 A CB -1.557 17.616 19.000 0.288 0.000 0.832 11 A HN 0.381 nan 8.150 nan 0.000 0.443 12 A N -0.655 122.309 122.820 0.239 0.000 1.944 12 A HA -0.235 4.084 4.320 -0.001 0.000 0.222 12 A C 2.279 180.053 177.584 0.317 0.000 1.237 12 A CA 2.701 54.911 52.037 0.289 0.000 0.668 12 A CB -1.385 17.806 19.000 0.318 0.000 0.830 12 A HN 0.581 nan 8.150 nan 0.000 0.471 13 V N 0.055 120.121 119.914 0.253 0.000 2.223 13 V HA -0.296 3.824 4.120 -0.001 0.000 0.244 13 V C 2.431 178.538 176.094 0.022 0.000 1.045 13 V CA 2.202 64.561 62.300 0.098 0.000 1.000 13 V CB -0.856 30.929 31.823 -0.063 0.000 0.635 13 V HN 0.625 nan 8.190 nan 0.000 0.445 14 I N -0.399 120.156 120.570 -0.024 0.000 2.248 14 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 14 I C 2.337 178.520 176.117 0.110 0.000 1.107 14 I CA 1.656 62.953 61.300 -0.005 0.000 1.373 14 I CB -0.538 37.468 38.000 0.010 0.000 1.055 14 I HN 0.234 nan 8.210 nan 0.000 0.418 15 L N 0.144 121.476 121.223 0.182 0.000 2.072 15 L HA -0.178 4.162 4.340 -0.001 0.000 0.205 15 L C 2.632 179.674 176.870 0.286 0.000 1.079 15 L CA 1.358 56.362 54.840 0.274 0.000 0.752 15 L CB -0.430 41.825 42.059 0.326 0.000 0.906 15 L HN 0.156 nan 8.230 nan 0.000 0.436 16 E N 0.300 120.629 120.200 0.215 0.000 2.031 16 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 16 E C 2.189 178.888 176.600 0.165 0.000 0.994 16 E CA 1.554 58.032 56.400 0.130 0.000 0.800 16 E CB -0.346 29.419 29.700 0.108 0.000 0.752 16 E HN 0.334 nan 8.360 nan 0.000 0.447 17 A N 0.806 123.774 122.820 0.246 0.000 1.954 17 A HA -0.263 4.057 4.320 -0.001 0.000 0.222 17 A C 2.351 180.108 177.584 0.289 0.000 1.199 17 A CA 2.073 54.278 52.037 0.280 0.000 0.657 17 A CB -1.080 17.984 19.000 0.107 0.000 0.823 17 A HN 0.400 nan 8.150 nan 0.000 0.463 18 L N -0.970 120.408 121.223 0.259 0.000 2.291 18 L HA -0.104 4.236 4.340 -0.001 0.000 0.214 18 L C 2.567 179.599 176.870 0.270 0.000 1.120 18 L CA 1.404 56.423 54.840 0.298 0.000 0.799 18 L CB -0.802 41.423 42.059 0.277 0.000 0.925 18 L HN 0.411 nan 8.230 nan 0.000 0.446 19 T N -0.620 114.022 114.554 0.147 0.000 2.788 19 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 19 T C 1.882 176.550 174.700 -0.052 0.000 1.044 19 T CA 0.876 62.961 62.100 -0.024 0.000 1.139 19 T CB -0.127 68.623 68.868 -0.198 0.000 0.867 19 T HN 0.274 nan 8.240 nan 0.000 0.454 20 R N 1.030 121.480 120.500 -0.083 0.000 2.280 20 R HA 0.023 4.363 4.340 -0.001 0.000 0.207 20 R C 1.196 177.295 176.300 -0.334 0.000 1.043 20 R CA 0.769 56.732 56.100 -0.228 0.000 1.006 20 R CB -0.481 29.659 30.300 -0.266 0.000 0.885 20 R HN 0.602 nan 8.270 nan 0.000 0.467 21 H N -0.716 118.372 119.070 0.031 0.000 2.594 21 H HA 0.214 4.769 4.556 -0.001 0.000 0.279 21 H C 0.772 176.117 175.328 0.028 0.000 1.042 21 H CA 0.588 56.654 56.048 0.030 0.000 1.177 21 H CB 0.905 30.689 29.762 0.037 0.000 1.524 21 H HN 0.383 nan 8.280 nan 0.000 0.537 22 G N 1.261 110.114 108.800 0.088 0.000 2.130 22 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 22 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 22 G C 0.078 175.033 174.900 0.092 0.000 0.999 22 G CA 0.133 45.269 45.100 0.060 0.000 0.686 22 G HN 0.180 nan 8.290 nan 0.000 0.515 23 V N 0.380 120.383 119.914 0.148 0.000 2.427 23 V HA 0.445 4.565 4.120 -0.001 0.000 0.268 23 V C 1.438 177.681 176.094 0.250 0.000 1.046 23 V CA 0.500 62.915 62.300 0.192 0.000 0.970 23 V CB 1.154 33.123 31.823 0.244 0.000 1.001 23 V HN 0.441 nan 8.190 nan 0.000 0.476 24 R N 1.502 122.088 120.500 0.142 0.000 2.194 24 R HA 0.220 4.560 4.340 -0.001 0.000 0.194 24 R C 0.381 176.669 176.300 -0.021 0.000 0.985 24 R CA -0.084 56.035 56.100 0.031 0.000 1.104 24 R CB 0.347 30.527 30.300 -0.200 0.000 1.092 24 R HN 0.690 nan 8.270 nan 0.000 0.555 25 H N 0.375 119.504 119.070 0.098 0.000 2.548 25 H HA 0.242 4.797 4.556 -0.001 0.000 0.331 25 H C -0.715 174.555 175.328 -0.096 0.000 1.093 25 H CA 0.102 56.182 56.048 0.052 0.000 1.367 25 H CB 1.561 31.378 29.762 0.092 0.000 1.455 25 H HN 0.107 nan 8.280 nan 0.000 0.519 26 I N 2.920 123.472 120.570 -0.030 0.000 2.478 26 I HA 0.187 4.356 4.170 -0.001 0.000 0.287 26 I C -0.890 175.244 176.117 0.028 0.000 1.042 26 I CA -0.379 60.813 61.300 -0.180 0.000 1.067 26 I CB 0.693 38.321 38.000 -0.620 0.000 1.233 26 I HN 0.496 nan 8.210 nan 0.000 0.431 27 C N 7.831 127.150 119.300 0.032 0.000 2.273 27 C HA 0.615 5.075 4.460 -0.001 0.000 0.328 27 C C -0.009 175.017 174.990 0.059 0.000 1.275 27 C CA -0.539 58.525 59.018 0.077 0.000 1.704 27 C CB -0.200 27.555 27.740 0.025 0.000 2.326 27 C HN 0.517 nan 8.230 nan 0.000 0.517 28 I N 3.241 123.866 120.570 0.091 0.000 2.478 28 I HA 0.553 4.723 4.170 -0.001 0.000 0.287 28 I C 0.131 176.303 176.117 0.093 0.000 1.042 28 I CA -0.062 61.287 61.300 0.082 0.000 1.067 28 I CB 1.496 39.548 38.000 0.086 0.000 1.233 28 I HN 0.711 nan 8.210 nan 0.000 0.431 29 A N 8.462 131.332 122.820 0.083 0.000 2.330 29 A HA 0.838 5.158 4.320 -0.001 0.000 0.327 29 A C -2.488 175.147 177.584 0.085 0.000 1.155 29 A CA -1.613 50.476 52.037 0.086 0.000 0.803 29 A CB 0.614 19.660 19.000 0.077 0.000 1.208 29 A HN 0.418 nan 8.150 nan 0.000 0.477 30 P HA 0.374 nan 4.420 nan 0.000 0.269 30 P C 0.338 177.685 177.300 0.077 0.000 1.211 30 P CA 0.651 63.802 63.100 0.085 0.000 0.781 30 P CB 0.827 32.582 31.700 0.091 0.000 0.877 31 G N -1.050 107.794 108.800 0.073 0.000 2.320 31 G HA2 0.275 4.235 3.960 -0.001 0.000 0.296 31 G HA3 0.275 4.235 3.960 -0.001 0.000 0.296 31 G C 0.032 174.981 174.900 0.083 0.000 1.306 31 G CA 0.290 45.433 45.100 0.072 0.000 0.836 31 G HN 0.434 nan 8.290 nan 0.000 0.517 32 S N -1.397 114.356 115.700 0.088 0.000 2.591 32 S HA 0.047 4.517 4.470 -0.001 0.000 0.235 32 S C 2.139 176.774 174.600 0.058 0.000 1.074 32 S CA 1.148 59.428 58.200 0.133 0.000 0.925 32 S CB -0.085 63.208 63.200 0.153 0.000 0.818 32 S HN 0.549 nan 8.310 nan 0.000 0.535 33 R N 2.104 122.627 120.500 0.039 0.000 2.189 33 R HA 0.090 4.430 4.340 -0.001 0.000 0.223 33 R C 1.859 178.121 176.300 -0.063 0.000 1.092 33 R CA 1.857 57.959 56.100 0.003 0.000 0.989 33 R CB -0.652 29.685 30.300 0.062 0.000 0.876 33 R HN 0.492 nan 8.270 nan 0.000 0.457 34 S N -2.255 113.424 115.700 -0.035 0.000 2.593 34 S HA 0.010 4.479 4.470 -0.001 0.000 0.217 34 S C 1.536 176.055 174.600 -0.136 0.000 0.966 34 S CA 0.501 58.667 58.200 -0.057 0.000 0.914 34 S CB -0.031 63.185 63.200 0.027 0.000 0.776 34 S HN 0.199 nan 8.310 nan 0.000 0.523 35 T N 3.127 117.567 114.554 -0.190 0.000 2.737 35 T HA -0.043 4.306 4.350 -0.001 0.000 0.269 35 T C 1.504 176.046 174.700 -0.263 0.000 1.040 35 T CA 1.529 63.505 62.100 -0.206 0.000 1.142 35 T CB -0.617 68.024 68.868 -0.379 0.000 0.861 35 T HN 0.398 nan 8.240 nan 0.000 0.456 36 L N 0.211 121.158 121.223 -0.459 0.000 1.956 36 L HA -0.162 4.177 4.340 -0.001 0.000 0.216 36 L C 2.437 179.200 176.870 -0.179 0.000 1.073 36 L CA 1.656 56.209 54.840 -0.479 0.000 0.762 36 L CB -0.568 40.721 42.059 -1.284 0.000 0.889 36 L HN 0.284 nan 8.230 nan 0.000 0.433 37 L N -1.494 119.661 121.223 -0.113 0.000 2.109 37 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 37 L C 2.521 179.421 176.870 0.049 0.000 1.086 37 L CA 1.265 56.136 54.840 0.053 0.000 0.760 37 L CB -1.024 41.102 42.059 0.111 0.000 0.910 37 L HN 0.272 nan 8.230 nan 0.000 0.437 38 T N 0.290 114.851 114.554 0.012 0.000 2.867 38 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 38 T C 1.995 176.722 174.700 0.045 0.000 1.057 38 T CA 1.049 63.171 62.100 0.037 0.000 1.136 38 T CB -0.171 68.715 68.868 0.030 0.000 0.874 38 T HN 0.171 nan 8.240 nan 0.000 0.466 39 L N 0.636 121.871 121.223 0.019 0.000 1.988 39 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 39 L C 3.110 180.028 176.870 0.080 0.000 1.071 39 L CA 1.377 56.237 54.840 0.035 0.000 0.744 39 L CB -0.780 41.282 42.059 0.005 0.000 0.893 39 L HN 0.262 nan 8.230 nan 0.000 0.433 40 A N 0.037 122.915 122.820 0.098 0.000 1.859 40 A HA -0.306 4.013 4.320 -0.001 0.000 0.217 40 A C 2.497 180.218 177.584 0.230 0.000 1.198 40 A CA 2.276 54.408 52.037 0.160 0.000 0.629 40 A CB -1.059 18.050 19.000 0.183 0.000 0.830 40 A HN 0.481 nan 8.150 nan 0.000 0.446 41 A N -0.228 122.736 122.820 0.241 0.000 1.881 41 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 41 A C 2.576 180.400 177.584 0.400 0.000 1.215 41 A CA 3.262 55.498 52.037 0.332 0.000 0.648 41 A CB -1.367 17.737 19.000 0.173 0.000 0.832 41 A HN 1.393 nan 8.150 nan 0.000 0.455 42 A N -0.980 121.965 122.820 0.209 0.000 1.972 42 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 42 A C 1.869 179.499 177.584 0.077 0.000 1.169 42 A CA 1.678 53.748 52.037 0.054 0.000 0.635 42 A CB -0.481 18.498 19.000 -0.035 0.000 0.810 42 A HN 0.688 nan 8.150 nan 0.000 0.446 43 E N -0.336 119.936 120.200 0.119 0.000 2.435 43 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 43 E C 0.109 176.779 176.600 0.116 0.000 1.029 43 E CA -0.248 56.208 56.400 0.093 0.000 0.865 43 E CB 0.053 29.799 29.700 0.077 0.000 0.833 43 E HN 0.406 nan 8.360 nan 0.000 0.510 44 N N 0.844 119.656 118.700 0.186 0.000 2.420 44 N HA 0.004 4.743 4.740 -0.001 0.000 0.249 44 N C 0.225 175.769 175.510 0.056 0.000 1.033 44 N CA -0.009 53.098 53.050 0.096 0.000 0.944 44 N CB 1.221 39.761 38.487 0.088 0.000 1.113 44 N HN -0.061 nan 8.380 nan 0.000 0.502 45 S N 1.710 117.404 115.700 -0.010 0.000 2.650 45 S HA 0.051 4.521 4.470 -0.001 0.000 0.219 45 S C 1.401 175.932 174.600 -0.116 0.000 0.960 45 S CA 0.016 58.215 58.200 -0.002 0.000 0.925 45 S CB 0.107 63.309 63.200 0.003 0.000 0.775 45 S HN 0.502 nan 8.310 nan 0.000 0.525 46 A N 0.324 122.960 122.820 -0.306 0.000 2.235 46 A HA 0.449 4.768 4.320 -0.001 0.000 0.208 46 A C 0.081 177.406 177.584 -0.432 0.000 1.172 46 A CA 0.130 51.906 52.037 -0.436 0.000 0.786 46 A CB -0.337 18.300 19.000 -0.605 0.000 0.804 46 A HN 0.480 nan 8.150 nan 0.000 0.479 47 F N -0.836 119.007 119.950 -0.179 0.000 2.538 47 F HA 0.608 5.134 4.527 -0.001 0.000 0.325 47 F C 0.026 175.526 175.800 -0.500 0.000 1.066 47 F CA -1.916 55.873 58.000 -0.351 0.000 0.946 47 F CB 1.329 40.059 39.000 -0.450 0.000 1.199 47 F HN -0.117 nan 8.300 nan 0.000 0.473 48 I N 2.135 122.571 120.570 -0.223 0.000 2.385 48 I HA 0.307 4.477 4.170 -0.001 0.000 0.294 48 I C -0.799 175.060 176.117 -0.429 0.000 0.988 48 I CA -0.701 60.418 61.300 -0.302 0.000 1.265 48 I CB 1.058 38.945 38.000 -0.188 0.000 1.388 48 I HN 0.487 nan 8.210 nan 0.000 0.480 49 H N 4.410 123.374 119.070 -0.176 0.000 2.489 49 H HA 0.491 5.047 4.556 -0.001 0.000 0.322 49 H C -0.696 174.422 175.328 -0.351 0.000 1.091 49 H CA -0.469 55.483 56.048 -0.160 0.000 1.291 49 H CB 0.667 30.403 29.762 -0.044 0.000 1.436 49 H HN 0.442 nan 8.280 nan 0.000 0.480 50 H N 1.261 120.411 119.070 0.134 0.000 2.622 50 H HA 0.433 4.989 4.556 -0.001 0.000 0.363 50 H C -0.266 175.110 175.328 0.079 0.000 1.151 50 H CA -0.820 55.277 56.048 0.083 0.000 1.184 50 H CB 2.154 31.930 29.762 0.023 0.000 1.643 50 H HN 0.736 nan 8.280 nan 0.000 0.531 51 T N -0.539 114.130 114.554 0.192 0.000 2.861 51 T HA 0.470 4.820 4.350 -0.001 0.000 0.287 51 T C -0.856 173.953 174.700 0.181 0.000 1.003 51 T CA -0.789 61.407 62.100 0.160 0.000 0.977 51 T CB 2.349 71.302 68.868 0.141 0.000 0.996 51 T HN 0.689 nan 8.240 nan 0.000 0.448 52 H N 1.433 120.499 119.070 -0.006 0.000 3.046 52 H HA 0.463 5.019 4.556 -0.001 0.000 0.363 52 H C -0.062 175.201 175.328 -0.110 0.000 1.203 52 H CA -1.604 54.347 56.048 -0.162 0.000 1.169 52 H CB 1.148 30.759 29.762 -0.251 0.000 1.851 52 H HN 0.597 nan 8.280 nan 0.000 0.546 53 F N -0.341 119.416 119.950 -0.322 0.000 2.387 53 F HA 0.221 4.747 4.527 -0.001 0.000 0.294 53 F C 0.631 176.299 175.800 -0.219 0.000 1.093 53 F CA -0.239 57.638 58.000 -0.205 0.000 1.420 53 F CB 0.065 38.970 39.000 -0.157 0.000 1.086 53 F HN 0.316 nan 8.300 nan 0.000 0.531 54 D N 1.503 121.499 120.400 -0.674 0.000 2.316 54 D HA 0.078 4.717 4.640 -0.001 0.000 0.245 54 D C 0.688 176.955 176.300 -0.054 0.000 1.171 54 D CA 0.099 53.971 54.000 -0.214 0.000 0.856 54 D CB 1.298 41.969 40.800 -0.214 0.000 1.090 54 D HN 0.208 nan 8.370 nan 0.000 0.476 55 E N 2.457 122.685 120.200 0.046 0.000 2.208 55 E HA -0.081 4.269 4.350 -0.001 0.000 0.193 55 E C 1.752 178.415 176.600 0.105 0.000 0.988 55 E CA 0.589 57.036 56.400 0.080 0.000 0.828 55 E CB 0.242 29.996 29.700 0.089 0.000 0.763 55 E HN 0.413 nan 8.360 nan 0.000 0.478 56 R N -0.069 120.510 120.500 0.131 0.000 2.055 56 R HA -0.071 4.269 4.340 -0.001 0.000 0.228 56 R C 2.340 178.793 176.300 0.254 0.000 1.143 56 R CA 1.473 57.685 56.100 0.186 0.000 0.945 56 R CB -0.619 29.792 30.300 0.184 0.000 0.841 56 R HN 0.281 nan 8.270 nan 0.000 0.429 57 G N 1.732 110.642 108.800 0.184 0.000 2.505 57 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.220 57 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.220 57 G C 1.336 176.292 174.900 0.094 0.000 1.145 57 G CA 1.039 46.218 45.100 0.131 0.000 0.761 57 G HN 0.318 nan 8.290 nan 0.000 0.571 58 L N 1.450 122.765 121.223 0.152 0.000 1.989 58 L HA 0.056 4.396 4.340 -0.001 0.000 0.211 58 L C 2.932 179.797 176.870 -0.009 0.000 1.071 58 L CA 2.625 57.504 54.840 0.065 0.000 0.749 58 L CB -1.060 41.053 42.059 0.090 0.000 0.890 58 L HN 0.187 nan 8.230 nan 0.000 0.431 59 G N -2.185 106.611 108.800 -0.006 0.000 2.469 59 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.220 59 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.220 59 G C 1.254 176.040 174.900 -0.190 0.000 1.136 59 G CA 1.273 46.308 45.100 -0.109 0.000 0.759 59 G HN 0.621 nan 8.290 nan 0.000 0.562 60 H N -0.994 118.021 119.070 -0.091 0.000 2.502 60 H HA 0.155 4.711 4.556 -0.001 0.000 0.283 60 H C 2.156 177.374 175.328 -0.183 0.000 1.015 60 H CA 0.567 56.541 56.048 -0.123 0.000 1.298 60 H CB 0.127 29.821 29.762 -0.114 0.000 1.411 60 H HN 0.301 nan 8.280 nan 0.000 0.556 61 L N 0.642 121.804 121.223 -0.101 0.000 2.027 61 L HA -0.058 4.282 4.340 -0.001 0.000 0.206 61 L C 2.286 179.012 176.870 -0.240 0.000 1.074 61 L CA 1.870 56.580 54.840 -0.217 0.000 0.745 61 L CB -0.946 40.966 42.059 -0.245 0.000 0.898 61 L HN 0.207 nan 8.230 nan 0.000 0.433 62 A N -0.578 122.130 122.820 -0.185 0.000 1.902 62 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 62 A C 2.290 179.768 177.584 -0.177 0.000 1.181 62 A CA 1.854 53.785 52.037 -0.177 0.000 0.623 62 A CB -1.058 17.869 19.000 -0.120 0.000 0.818 62 A HN 0.529 nan 8.150 nan 0.000 0.443 63 L N 0.052 121.174 121.223 -0.169 0.000 1.989 63 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 63 L C 2.476 179.256 176.870 -0.151 0.000 1.071 63 L CA 2.466 57.217 54.840 -0.149 0.000 0.749 63 L CB -0.972 40.991 42.059 -0.159 0.000 0.890 63 L HN 0.326 nan 8.230 nan 0.000 0.431 64 G N -0.203 108.489 108.800 -0.180 0.000 2.491 64 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.218 64 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.218 64 G C 1.576 176.301 174.900 -0.291 0.000 1.180 64 G CA 1.339 46.294 45.100 -0.241 0.000 0.774 64 G HN 0.460 nan 8.290 nan 0.000 0.562 65 L N 0.506 121.531 121.223 -0.330 0.000 2.127 65 L HA -0.094 4.246 4.340 -0.001 0.000 0.211 65 L C 3.304 180.005 176.870 -0.281 0.000 1.089 65 L CA 1.102 55.705 54.840 -0.396 0.000 0.757 65 L CB -0.350 41.378 42.059 -0.551 0.000 0.899 65 L HN 0.356 nan 8.230 nan 0.000 0.434 66 A N -0.388 122.314 122.820 -0.198 0.000 1.911 66 A HA -0.133 4.187 4.320 -0.001 0.000 0.212 66 A C 2.350 179.868 177.584 -0.110 0.000 1.189 66 A CA 0.960 52.925 52.037 -0.120 0.000 0.639 66 A CB -0.255 18.692 19.000 -0.088 0.000 0.839 66 A HN 0.218 nan 8.150 nan 0.000 0.449 67 K N -0.086 120.239 120.400 -0.125 0.000 2.052 67 K HA -0.191 4.129 4.320 -0.001 0.000 0.215 67 K C 1.847 178.354 176.600 -0.156 0.000 1.053 67 K CA 2.204 58.434 56.287 -0.095 0.000 0.934 67 K CB -0.350 32.101 32.500 -0.083 0.000 0.717 67 K HN 0.235 nan 8.250 nan 0.000 0.450 68 V N 0.654 120.364 119.914 -0.340 0.000 2.244 68 V HA -0.218 3.901 4.120 -0.001 0.000 0.244 68 V C 2.312 178.330 176.094 -0.127 0.000 1.042 68 V CA 2.174 64.251 62.300 -0.373 0.000 1.006 68 V CB -0.383 31.138 31.823 -0.504 0.000 0.641 68 V HN 0.578 nan 8.190 nan 0.000 0.446 69 S N -1.341 114.298 115.700 -0.102 0.000 2.489 69 S HA -0.099 4.371 4.470 -0.001 0.000 0.228 69 S C 1.148 175.750 174.600 0.004 0.000 0.995 69 S CA 0.507 58.696 58.200 -0.019 0.000 0.934 69 S CB -0.197 63.025 63.200 0.038 0.000 0.771 69 S HN 0.558 nan 8.310 nan 0.000 0.522 70 K N 0.093 120.486 120.400 -0.012 0.000 3.274 70 K HA -0.190 4.130 4.320 -0.001 0.000 0.300 70 K C -0.443 176.158 176.600 0.002 0.000 1.230 70 K CA 1.048 57.331 56.287 -0.006 0.000 0.884 70 K CB -2.089 30.413 32.500 0.004 0.000 1.242 70 K HN 0.694 nan 8.250 nan 0.000 0.467 71 Q N 0.618 120.429 119.800 0.019 0.000 2.212 71 Q HA 0.375 4.714 4.340 -0.001 0.000 0.238 71 Q C -2.246 173.772 176.000 0.030 0.000 0.955 71 Q CA -1.930 53.896 55.803 0.038 0.000 0.906 71 Q CB 0.827 29.610 28.738 0.076 0.000 1.215 71 Q HN -0.019 nan 8.270 nan 0.000 0.478 72 P HA 0.124 nan 4.420 nan 0.000 0.278 72 P C -1.049 176.280 177.300 0.049 0.000 1.238 72 P CA -0.139 62.978 63.100 0.029 0.000 0.794 72 P CB 0.873 32.594 31.700 0.035 0.000 0.955 73 V N 1.675 121.602 119.914 0.022 0.000 2.680 73 V HA 0.640 4.760 4.120 -0.001 0.000 0.309 73 V C 0.293 176.380 176.094 -0.010 0.000 1.052 73 V CA -0.906 61.409 62.300 0.026 0.000 0.908 73 V CB 1.760 33.581 31.823 -0.003 0.000 1.001 73 V HN 0.755 nan 8.190 nan 0.000 0.431 74 A N 3.793 126.589 122.820 -0.040 0.000 2.303 74 A HA 0.889 5.209 4.320 -0.001 0.000 0.317 74 A C -0.792 176.755 177.584 -0.062 0.000 1.149 74 A CA -0.478 51.514 52.037 -0.076 0.000 0.822 74 A CB 1.271 20.155 19.000 -0.192 0.000 1.131 74 A HN 0.783 nan 8.150 nan 0.000 0.493 75 V N 2.465 122.362 119.914 -0.029 0.000 2.686 75 V HA 0.457 4.576 4.120 -0.001 0.000 0.306 75 V C -0.687 175.424 176.094 0.029 0.000 1.065 75 V CA -0.159 62.140 62.300 -0.002 0.000 0.894 75 V CB 1.633 33.458 31.823 0.003 0.000 1.004 75 V HN 0.749 nan 8.190 nan 0.000 0.424 76 I N 5.172 125.766 120.570 0.039 0.000 2.410 76 I HA 0.641 4.810 4.170 -0.001 0.000 0.286 76 I C -0.374 175.789 176.117 0.077 0.000 1.009 76 I CA -0.737 60.601 61.300 0.064 0.000 1.111 76 I CB 1.895 39.928 38.000 0.054 0.000 1.262 76 I HN 0.588 nan 8.210 nan 0.000 0.443 77 V N 1.945 121.916 119.914 0.096 0.000 3.074 77 V HA 0.652 4.772 4.120 -0.001 0.000 0.314 77 V C -0.180 175.976 176.094 0.103 0.000 1.117 77 V CA -0.417 61.942 62.300 0.098 0.000 1.014 77 V CB 1.842 33.730 31.823 0.108 0.000 1.057 77 V HN 0.633 nan 8.190 nan 0.000 0.438 78 T N 1.166 115.776 114.554 0.093 0.000 2.814 78 T HA 0.475 4.825 4.350 -0.001 0.000 0.284 78 T C 0.499 175.256 174.700 0.094 0.000 0.998 78 T CA 0.353 62.507 62.100 0.089 0.000 0.935 78 T CB 0.954 69.867 68.868 0.075 0.000 1.167 78 T HN 1.694 nan 8.240 nan 0.000 0.545 79 S N 0.021 115.773 115.700 0.087 0.000 2.576 79 S HA 0.644 5.114 4.470 -0.001 0.000 0.276 79 S C 0.692 175.330 174.600 0.063 0.000 1.339 79 S CA 0.117 58.364 58.200 0.078 0.000 1.039 79 S CB 0.334 63.578 63.200 0.073 0.000 0.902 79 S HN 1.570 nan 8.310 nan 0.000 0.516 80 G N 1.318 110.148 108.800 0.050 0.000 2.295 80 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.195 80 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.195 80 G C 0.565 175.489 174.900 0.040 0.000 1.269 80 G CA 0.504 45.628 45.100 0.041 0.000 1.170 80 G HN 1.715 nan 8.290 nan 0.000 0.511 81 T N -0.592 113.990 114.554 0.047 0.000 3.051 81 T HA 0.306 4.656 4.350 -0.001 0.000 0.269 81 T C 2.466 177.213 174.700 0.078 0.000 1.127 81 T CA 2.178 64.312 62.100 0.058 0.000 1.107 81 T CB -0.304 68.600 68.868 0.059 0.000 0.898 81 T HN 1.987 nan 8.240 nan 0.000 0.517 82 A N 1.032 123.900 122.820 0.079 0.000 2.024 82 A HA 0.052 4.372 4.320 -0.001 0.000 0.220 82 A C 2.498 180.148 177.584 0.111 0.000 1.164 82 A CA 1.567 53.659 52.037 0.092 0.000 0.643 82 A CB -0.876 18.176 19.000 0.087 0.000 0.806 82 A HN 0.483 nan 8.150 nan 0.000 0.451 83 V N -0.685 119.294 119.914 0.108 0.000 2.535 83 V HA -0.102 4.018 4.120 -0.001 0.000 0.246 83 V C 2.959 179.177 176.094 0.207 0.000 1.045 83 V CA 1.432 63.819 62.300 0.145 0.000 1.058 83 V CB -1.021 30.841 31.823 0.064 0.000 0.689 83 V HN 0.580 nan 8.190 nan 0.000 0.461 84 A N 0.471 123.373 122.820 0.136 0.000 1.940 84 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 84 A C 2.017 179.752 177.584 0.251 0.000 1.176 84 A CA 1.876 54.029 52.037 0.193 0.000 0.631 84 A CB -0.684 18.398 19.000 0.137 0.000 0.814 84 A HN 0.601 nan 8.150 nan 0.000 0.446 85 N N -0.156 118.653 118.700 0.183 0.000 2.443 85 N HA -0.049 4.691 4.740 -0.001 0.000 0.184 85 N C 1.366 176.959 175.510 0.137 0.000 1.037 85 N CA 0.927 54.074 53.050 0.162 0.000 0.896 85 N CB -0.166 38.401 38.487 0.133 0.000 0.959 85 N HN 0.518 nan 8.380 nan 0.000 0.442 86 L N -0.499 120.794 121.223 0.118 0.000 2.418 86 L HA -0.058 4.282 4.340 -0.001 0.000 0.218 86 L C 2.061 178.850 176.870 -0.134 0.000 1.125 86 L CA 0.170 55.000 54.840 -0.017 0.000 0.835 86 L CB -0.373 41.664 42.059 -0.037 0.000 0.953 86 L HN 0.044 nan 8.230 nan 0.000 0.454 87 Y N 1.707 121.901 120.300 -0.177 0.000 2.040 87 Y HA -0.230 4.319 4.550 -0.001 0.000 0.275 87 Y C -0.106 175.662 175.900 -0.221 0.000 1.171 87 Y CA 1.621 59.560 58.100 -0.269 0.000 1.123 87 Y CB -1.818 36.645 38.460 0.006 0.000 0.963 87 Y HN 0.121 nan 8.280 nan 0.000 0.493 88 P HA -0.252 nan 4.420 nan 0.000 0.215 88 P C 1.528 178.755 177.300 -0.122 0.000 1.163 88 P CA 2.921 66.023 63.100 0.003 0.000 0.894 88 P CB -0.326 31.473 31.700 0.165 0.000 0.791 89 A N -1.121 121.502 122.820 -0.328 0.000 1.930 89 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 89 A C 2.148 179.567 177.584 -0.275 0.000 1.175 89 A CA 1.347 53.066 52.037 -0.529 0.000 0.627 89 A CB -1.647 16.933 19.000 -0.700 0.000 0.815 89 A HN 0.171 nan 8.150 nan 0.000 0.443 90 L N -0.041 121.038 121.223 -0.239 0.000 2.079 90 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 90 L C 2.150 178.968 176.870 -0.085 0.000 1.081 90 L CA 1.735 56.451 54.840 -0.206 0.000 0.752 90 L CB -0.304 41.516 42.059 -0.399 0.000 0.896 90 L HN 0.443 nan 8.230 nan 0.000 0.433 91 I N -0.862 119.679 120.570 -0.048 0.000 2.233 91 I HA -0.208 3.962 4.170 -0.001 0.000 0.243 91 I C 2.464 178.596 176.117 0.025 0.000 1.093 91 I CA 1.193 62.521 61.300 0.047 0.000 1.380 91 I CB -0.306 37.667 38.000 -0.045 0.000 1.067 91 I HN 0.299 nan 8.210 nan 0.000 0.413 92 E N 1.751 121.935 120.200 -0.027 0.000 2.058 92 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 92 E C 2.105 178.690 176.600 -0.025 0.000 0.997 92 E CA 1.899 58.289 56.400 -0.017 0.000 0.801 92 E CB -0.233 29.457 29.700 -0.016 0.000 0.746 92 E HN 0.397 nan 8.360 nan 0.000 0.450 93 A N 0.106 122.892 122.820 -0.057 0.000 2.024 93 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 93 A C 2.415 179.979 177.584 -0.033 0.000 1.164 93 A CA 1.855 53.859 52.037 -0.054 0.000 0.643 93 A CB -1.303 17.648 19.000 -0.082 0.000 0.806 93 A HN 0.430 nan 8.150 nan 0.000 0.451 94 G N -0.392 108.401 108.800 -0.012 0.000 2.402 94 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.216 94 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.216 94 G C 1.529 176.424 174.900 -0.008 0.000 1.162 94 G CA 0.993 46.091 45.100 -0.003 0.000 0.777 94 G HN 0.448 nan 8.290 nan 0.000 0.539 95 L N 0.697 121.920 121.223 0.001 0.000 2.095 95 L HA 0.031 4.370 4.340 -0.001 0.000 0.204 95 L C 3.151 180.018 176.870 -0.005 0.000 1.080 95 L CA 1.698 56.537 54.840 -0.001 0.000 0.759 95 L CB -0.435 41.629 42.059 0.007 0.000 0.914 95 L HN 0.422 nan 8.230 nan 0.000 0.439 96 T N -4.738 109.812 114.554 -0.007 0.000 3.037 96 T HA 0.283 4.632 4.350 -0.001 0.000 0.252 96 T C 1.385 176.075 174.700 -0.018 0.000 1.073 96 T CA 0.643 62.739 62.100 -0.007 0.000 1.091 96 T CB 0.959 69.829 68.868 0.004 0.000 0.935 96 T HN 0.418 nan 8.240 nan 0.000 0.488 97 G N 0.771 109.554 108.800 -0.029 0.000 2.260 97 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.179 97 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.179 97 G C -0.258 174.605 174.900 -0.060 0.000 1.002 97 G CA -0.301 44.770 45.100 -0.049 0.000 0.677 97 G HN 0.570 nan 8.290 nan 0.000 0.486 98 E N 1.235 121.405 120.200 -0.050 0.000 2.467 98 E HA 0.381 4.730 4.350 -0.001 0.000 0.264 98 E C 0.375 176.939 176.600 -0.060 0.000 1.020 98 E CA 0.626 56.993 56.400 -0.055 0.000 0.945 98 E CB 0.396 30.060 29.700 -0.059 0.000 0.942 98 E HN 0.413 nan 8.360 nan 0.000 0.449 99 K N 2.755 123.122 120.400 -0.054 0.000 2.268 99 K HA 0.293 4.613 4.320 -0.001 0.000 0.276 99 K C -0.584 175.990 176.600 -0.043 0.000 1.080 99 K CA -0.145 56.114 56.287 -0.047 0.000 0.910 99 K CB 0.466 32.945 32.500 -0.035 0.000 1.163 99 K HN 0.284 nan 8.250 nan 0.000 0.465 100 L N 4.713 125.906 121.223 -0.051 0.000 2.282 100 L HA 0.437 4.777 4.340 -0.001 0.000 0.288 100 L C -0.272 176.583 176.870 -0.026 0.000 1.033 100 L CA -0.959 53.851 54.840 -0.051 0.000 0.807 100 L CB 1.021 43.030 42.059 -0.083 0.000 1.209 100 L HN 0.433 nan 8.230 nan 0.000 0.423 101 I N 5.424 125.987 120.570 -0.012 0.000 2.359 101 I HA 0.308 4.478 4.170 -0.001 0.000 0.284 101 I C -0.186 175.948 176.117 0.029 0.000 1.018 101 I CA -0.320 60.987 61.300 0.012 0.000 1.173 101 I CB 1.341 39.346 38.000 0.008 0.000 1.326 101 I HN 0.458 nan 8.210 nan 0.000 0.462 102 L N 7.091 128.359 121.223 0.075 0.000 2.264 102 L HA 0.446 4.786 4.340 -0.001 0.000 0.287 102 L C -0.216 176.751 176.870 0.160 0.000 1.039 102 L CA -0.438 54.480 54.840 0.130 0.000 0.829 102 L CB 1.048 43.227 42.059 0.200 0.000 1.211 102 L HN 0.398 nan 8.230 nan 0.000 0.427 103 L N 4.239 125.537 121.223 0.124 0.000 2.272 103 L HA 0.312 4.651 4.340 -0.001 0.000 0.284 103 L C 0.395 177.360 176.870 0.158 0.000 1.045 103 L CA -0.249 54.664 54.840 0.123 0.000 0.842 103 L CB 1.202 43.323 42.059 0.102 0.000 1.224 103 L HN 0.583 nan 8.230 nan 0.000 0.430 104 T N 0.427 115.084 114.554 0.171 0.000 2.788 104 T HA 0.687 5.036 4.350 -0.001 0.000 0.296 104 T C 0.138 174.946 174.700 0.180 0.000 1.009 104 T CA -0.738 61.481 62.100 0.198 0.000 0.949 104 T CB 1.589 70.631 68.868 0.290 0.000 0.946 104 T HN 0.513 nan 8.240 nan 0.000 0.453 105 A N 3.252 126.185 122.820 0.189 0.000 2.462 105 A HA 0.550 4.870 4.320 -0.001 0.000 0.243 105 A C 0.199 177.886 177.584 0.172 0.000 1.076 105 A CA -0.197 51.975 52.037 0.225 0.000 0.773 105 A CB 0.035 19.141 19.000 0.177 0.000 1.010 105 A HN 0.955 nan 8.150 nan 0.000 0.493 106 D N -0.124 120.386 120.400 0.183 0.000 2.602 106 D HA 0.391 5.031 4.640 -0.001 0.000 0.236 106 D C -0.484 175.876 176.300 0.101 0.000 1.209 106 D CA -0.608 53.457 54.000 0.109 0.000 0.831 106 D CB 1.107 41.946 40.800 0.066 0.000 1.478 106 D HN 0.420 nan 8.370 nan 0.000 0.438 107 R N 1.475 122.013 120.500 0.063 0.000 2.679 107 R HA 0.403 4.743 4.340 -0.001 0.000 0.269 107 R C -2.006 174.304 176.300 0.017 0.000 1.076 107 R CA -1.405 54.723 56.100 0.047 0.000 1.160 107 R CB -0.421 29.899 30.300 0.034 0.000 1.054 107 R HN 0.377 nan 8.270 nan 0.000 0.507 108 P HA 0.045 nan 4.420 nan 0.000 0.272 108 P C -1.749 175.535 177.300 -0.027 0.000 1.230 108 P CA -1.227 61.854 63.100 -0.033 0.000 0.788 108 P CB 0.058 31.733 31.700 -0.042 0.000 0.949 109 P HA -0.251 nan 4.420 nan 0.000 0.217 109 P C 1.018 178.305 177.300 -0.023 0.000 1.162 109 P CA 1.998 65.081 63.100 -0.029 0.000 0.901 109 P CB -0.193 31.485 31.700 -0.037 0.000 0.793 110 E N 0.030 120.213 120.200 -0.027 0.000 2.284 110 E HA -0.158 4.192 4.350 -0.001 0.000 0.200 110 E C 1.977 178.569 176.600 -0.013 0.000 1.008 110 E CA 0.966 57.353 56.400 -0.021 0.000 0.829 110 E CB -1.181 28.504 29.700 -0.024 0.000 0.744 110 E HN 0.354 nan 8.360 nan 0.000 0.491 111 L N 0.354 121.572 121.223 -0.009 0.000 2.640 111 L HA 0.177 4.516 4.340 -0.001 0.000 0.230 111 L C 0.034 176.905 176.870 0.001 0.000 1.123 111 L CA -0.390 54.449 54.840 -0.002 0.000 0.900 111 L CB 0.297 42.358 42.059 0.004 0.000 1.146 111 L HN 0.092 nan 8.230 nan 0.000 0.484 112 I N 0.285 120.854 120.570 -0.002 0.000 2.385 112 I HA 0.159 4.329 4.170 -0.001 0.000 0.294 112 I C 0.204 176.320 176.117 -0.002 0.000 0.988 112 I CA 0.009 61.308 61.300 -0.001 0.000 1.265 112 I CB 1.088 39.087 38.000 -0.003 0.000 1.388 112 I HN 0.093 nan 8.210 nan 0.000 0.480 113 D N 3.773 124.173 120.400 0.000 0.000 2.800 113 D HA -0.179 4.460 4.640 -0.001 0.000 0.232 113 D C 0.327 176.627 176.300 0.000 0.000 1.137 113 D CA 0.948 54.948 54.000 0.000 0.000 0.718 113 D CB -1.149 39.650 40.800 -0.001 0.000 1.084 113 D HN 0.831 nan 8.370 nan 0.000 0.432 114 C N -3.259 116.042 119.300 0.001 0.000 3.359 114 C HA 0.696 5.155 4.460 -0.001 0.000 0.279 114 C C 1.638 176.630 174.990 0.003 0.000 2.476 114 C CA 0.223 59.242 59.018 0.001 0.000 1.566 114 C CB -0.028 27.712 27.740 -0.001 0.000 3.185 114 C HN 0.785 nan 8.230 nan 0.000 0.435 115 G N 1.330 110.132 108.800 0.004 0.000 2.212 115 G HA2 0.091 4.051 3.960 -0.001 0.000 0.267 115 G HA3 0.091 4.051 3.960 -0.001 0.000 0.267 115 G C 0.429 175.333 174.900 0.007 0.000 1.002 115 G CA 0.615 45.718 45.100 0.005 0.000 0.729 115 G HN 1.951 nan 8.290 nan 0.000 0.517 116 A N -0.273 122.551 122.820 0.008 0.000 2.388 116 A HA 0.551 4.871 4.320 -0.001 0.000 0.257 116 A C 0.748 178.341 177.584 0.014 0.000 1.095 116 A CA -0.122 51.921 52.037 0.011 0.000 0.791 116 A CB 0.327 19.333 19.000 0.011 0.000 1.029 116 A HN 0.477 nan 8.150 nan 0.000 0.489 117 N N 0.934 119.643 118.700 0.016 0.000 2.407 117 N HA -0.025 4.714 4.740 -0.001 0.000 0.250 117 N C 0.291 175.815 175.510 0.023 0.000 1.236 117 N CA 0.816 53.877 53.050 0.018 0.000 0.879 117 N CB 0.331 38.830 38.487 0.019 0.000 1.088 117 N HN 0.767 nan 8.380 nan 0.000 0.450 118 Q N -1.598 118.217 119.800 0.025 0.000 2.362 118 Q HA -0.241 4.099 4.340 -0.001 0.000 0.220 118 Q C -0.942 175.076 176.000 0.030 0.000 0.713 118 Q CA 1.015 56.837 55.803 0.030 0.000 1.345 118 Q CB -1.116 27.645 28.738 0.037 0.000 1.570 118 Q HN 0.688 nan 8.270 nan 0.000 0.701 119 A N 0.886 123.720 122.820 0.023 0.000 2.274 119 A HA 0.740 5.060 4.320 -0.001 0.000 0.309 119 A C 0.076 177.669 177.584 0.014 0.000 1.226 119 A CA -0.338 51.712 52.037 0.020 0.000 0.853 119 A CB 0.372 19.382 19.000 0.017 0.000 1.146 119 A HN 0.396 nan 8.150 nan 0.000 0.518 120 I N -1.277 119.299 120.570 0.010 0.000 3.191 120 I HA 0.597 4.767 4.170 -0.001 0.000 0.313 120 I C -0.326 175.787 176.117 -0.007 0.000 1.193 120 I CA -1.369 59.931 61.300 -0.000 0.000 0.968 120 I CB 1.932 39.929 38.000 -0.006 0.000 1.262 120 I HN 0.481 nan 8.210 nan 0.000 0.456 121 R N 1.907 122.397 120.500 -0.016 0.000 2.291 121 R HA 0.209 4.549 4.340 -0.001 0.000 0.333 121 R C 0.267 176.540 176.300 -0.045 0.000 1.082 121 R CA 0.077 56.164 56.100 -0.022 0.000 0.948 121 R CB 0.658 30.946 30.300 -0.020 0.000 1.009 121 R HN 0.672 nan 8.270 nan 0.000 0.460 122 Q N 2.334 122.117 119.800 -0.028 0.000 2.349 122 Q HA 0.112 4.452 4.340 -0.001 0.000 0.209 122 Q C -1.607 174.398 176.000 0.009 0.000 0.920 122 Q CA -0.316 55.463 55.803 -0.039 0.000 0.901 122 Q CB -0.165 28.582 28.738 0.015 0.000 1.021 122 Q HN 0.421 nan 8.270 nan 0.000 0.519 123 P HA -0.031 nan 4.420 nan 0.000 0.266 123 P C 0.605 177.924 177.300 0.032 0.000 1.195 123 P CA 1.452 64.587 63.100 0.059 0.000 0.768 123 P CB 0.342 32.062 31.700 0.034 0.000 0.838 124 G N 2.607 111.450 108.800 0.071 0.000 2.200 124 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.267 124 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.267 124 G C 1.112 175.959 174.900 -0.089 0.000 0.993 124 G CA 0.684 45.803 45.100 0.030 0.000 0.701 124 G HN 0.460 nan 8.290 nan 0.000 0.524 125 M N -1.280 118.160 119.600 -0.268 0.000 2.108 125 M HA -0.082 4.398 4.480 -0.001 0.000 0.257 125 M C 1.686 177.634 176.300 -0.586 0.000 1.071 125 M CA 1.884 56.873 55.300 -0.518 0.000 1.093 125 M CB -0.235 31.808 32.600 -0.930 0.000 1.345 125 M HN 0.294 nan 8.290 nan 0.000 0.403 126 F N -0.067 119.673 119.950 -0.351 0.000 2.692 126 F HA 0.392 4.919 4.527 -0.000 0.000 0.303 126 F C 1.419 177.244 175.800 0.042 0.000 1.114 126 F CA -0.006 57.737 58.000 -0.429 0.000 1.361 126 F CB -1.563 37.141 39.000 -0.493 0.000 1.063 126 F HN 0.230 nan 8.300 nan 0.000 0.550 127 A N 0.646 123.582 122.820 0.194 0.000 5.481 127 A HA -0.388 3.932 4.320 -0.001 0.000 0.318 127 A C 1.856 179.594 177.584 0.257 0.000 1.837 127 A CA 2.145 54.325 52.037 0.237 0.000 0.717 127 A CB -1.970 17.214 19.000 0.306 0.000 1.349 127 A HN 0.646 nan 8.150 nan 0.000 0.388 128 S N -0.816 115.030 115.700 0.242 0.000 2.650 128 S HA 0.105 4.575 4.470 -0.001 0.000 0.219 128 S C 1.151 175.777 174.600 0.043 0.000 0.960 128 S CA 0.997 59.255 58.200 0.097 0.000 0.925 128 S CB -0.612 62.588 63.200 0.001 0.000 0.775 128 S HN 0.706 nan 8.310 nan 0.000 0.525 129 H N 2.008 121.168 119.070 0.149 0.000 2.482 129 H HA 0.194 4.750 4.556 -0.001 0.000 0.286 129 H C -1.530 173.831 175.328 0.055 0.000 1.017 129 H CA 0.070 56.191 56.048 0.121 0.000 1.322 129 H CB -0.792 29.099 29.762 0.215 0.000 1.426 129 H HN 0.516 nan 8.280 nan 0.000 0.546 130 P HA 0.101 nan 4.420 nan 0.000 0.279 130 P C 0.487 177.797 177.300 0.017 0.000 1.276 130 P CA 0.015 63.159 63.100 0.073 0.000 0.801 130 P CB 1.410 33.188 31.700 0.129 0.000 1.127 131 T N -1.939 112.568 114.554 -0.078 0.000 3.009 131 T HA 0.058 4.408 4.350 -0.001 0.000 0.258 131 T C 0.213 174.722 174.700 -0.318 0.000 1.063 131 T CA 1.191 63.145 62.100 -0.243 0.000 1.139 131 T CB -0.299 68.343 68.868 -0.376 0.000 0.890 131 T HN 0.459 nan 8.240 nan 0.000 0.471 132 H N 0.077 119.181 119.070 0.057 0.000 2.894 132 H HA 0.584 5.140 4.556 -0.001 0.000 0.367 132 H C -1.136 174.253 175.328 0.101 0.000 1.144 132 H CA -1.017 55.069 56.048 0.063 0.000 1.180 132 H CB 1.718 31.490 29.762 0.016 0.000 1.758 132 H HN -0.076 nan 8.280 nan 0.000 0.541 133 S N 2.954 118.802 115.700 0.247 0.000 2.733 133 S HA 0.414 4.883 4.470 -0.001 0.000 0.307 133 S C 0.298 174.969 174.600 0.119 0.000 1.127 133 S CA -0.589 57.736 58.200 0.207 0.000 1.097 133 S CB 0.497 63.840 63.200 0.238 0.000 1.003 133 S HN 0.379 nan 8.310 nan 0.000 0.477 134 I N 2.798 123.396 120.570 0.048 0.000 2.312 134 I HA 0.182 4.352 4.170 -0.001 0.000 0.291 134 I C 0.177 176.284 176.117 -0.016 0.000 1.031 134 I CA -0.127 61.184 61.300 0.018 0.000 1.293 134 I CB 1.156 39.145 38.000 -0.018 0.000 1.403 134 I HN 0.444 nan 8.210 nan 0.000 0.484 135 S N 7.623 123.348 115.700 0.042 0.000 2.422 135 S HA 0.372 4.841 4.470 -0.001 0.000 0.283 135 S C 0.000 174.673 174.600 0.121 0.000 1.163 135 S CA -0.532 57.697 58.200 0.047 0.000 1.054 135 S CB 0.206 63.445 63.200 0.065 0.000 0.967 135 S HN 0.363 nan 8.310 nan 0.000 0.499 136 L N 5.849 127.140 121.223 0.113 0.000 2.375 136 L HA 0.437 4.777 4.340 -0.001 0.000 0.271 136 L C -1.762 175.222 176.870 0.190 0.000 1.107 136 L CA -1.817 53.168 54.840 0.242 0.000 0.806 136 L CB 0.822 43.035 42.059 0.256 0.000 1.146 136 L HN 0.370 nan 8.230 nan 0.000 0.447 137 P HA 0.195 nan 4.420 nan 0.000 0.284 137 P C -1.031 176.230 177.300 -0.065 0.000 1.287 137 P CA -0.987 62.155 63.100 0.071 0.000 0.824 137 P CB 0.734 32.451 31.700 0.028 0.000 1.180 138 R N 1.205 121.617 120.500 -0.147 0.000 2.480 138 R HA 0.105 4.445 4.340 -0.001 0.000 0.303 138 R C -1.863 174.171 176.300 -0.442 0.000 0.985 138 R CA -1.025 54.916 56.100 -0.264 0.000 1.051 138 R CB -0.782 29.409 30.300 -0.182 0.000 0.935 138 R HN 0.325 nan 8.270 nan 0.000 0.410 139 P HA -0.036 nan 4.420 nan 0.000 0.261 139 P C -0.857 176.131 177.300 -0.519 0.000 1.183 139 P CA 0.400 62.743 63.100 -1.262 0.000 0.761 139 P CB 1.068 31.920 31.700 -1.413 0.000 0.785 140 T N 1.601 115.975 114.554 -0.300 0.000 2.956 140 T HA 0.134 4.483 4.350 -0.001 0.000 0.312 140 T C 0.940 175.509 174.700 -0.218 0.000 1.151 140 T CA -0.604 61.298 62.100 -0.330 0.000 1.024 140 T CB 1.012 69.762 68.868 -0.197 0.000 1.140 140 T HN 0.287 nan 8.240 nan 0.000 0.473 141 Q N 1.603 120.953 119.800 -0.751 0.000 2.368 141 Q HA -0.115 4.224 4.340 -0.001 0.000 0.210 141 Q C 0.665 176.783 176.000 0.196 0.000 0.982 141 Q CA 1.283 56.845 55.803 -0.403 0.000 0.884 141 Q CB 0.022 28.469 28.738 -0.484 0.000 0.933 141 Q HN 0.653 nan 8.270 nan 0.000 0.460 142 D N 0.373 120.810 120.400 0.063 0.000 2.350 142 D HA 0.026 4.665 4.640 -0.001 0.000 0.216 142 D C 0.301 176.695 176.300 0.156 0.000 0.968 142 D CA 0.716 54.771 54.000 0.092 0.000 0.894 142 D CB 0.190 40.989 40.800 -0.001 0.000 0.909 142 D HN 0.241 nan 8.370 nan 0.000 0.520 143 I N 1.806 122.549 120.570 0.287 0.000 2.339 143 I HA 0.216 4.386 4.170 -0.001 0.000 0.290 143 I C -2.323 174.101 176.117 0.512 0.000 0.994 143 I CA -2.323 59.145 61.300 0.280 0.000 1.191 143 I CB 2.032 40.170 38.000 0.231 0.000 1.343 143 I HN -0.345 nan 8.210 nan 0.000 0.458 144 P HA 0.101 nan 4.420 nan 0.000 0.271 144 P C 0.412 177.574 177.300 -0.230 0.000 1.218 144 P CA -0.229 62.871 63.100 -0.001 0.000 0.780 144 P CB 1.030 32.693 31.700 -0.062 0.000 0.901 145 A N 4.191 126.453 122.820 -0.930 0.000 1.978 145 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 145 A C 2.143 179.232 177.584 -0.824 0.000 1.170 145 A CA 1.698 53.114 52.037 -1.033 0.000 0.636 145 A CB -1.005 17.129 19.000 -1.444 0.000 0.810 145 A HN 0.685 nan 8.150 nan 0.000 0.448 146 R N -1.526 118.474 120.500 -0.834 0.000 2.096 146 R HA -0.248 4.091 4.340 -0.001 0.000 0.240 146 R C 2.043 178.006 176.300 -0.561 0.000 1.139 146 R CA 1.976 57.486 56.100 -0.984 0.000 0.952 146 R CB -0.946 28.921 30.300 -0.722 0.000 0.854 146 R HN 0.610 nan 8.270 nan 0.000 0.436 147 W N 1.708 122.784 121.300 -0.373 0.000 2.332 147 W HA -0.255 4.405 4.660 -0.000 0.000 0.321 147 W C 2.040 178.403 176.519 -0.261 0.000 1.219 147 W CA 1.739 58.952 57.345 -0.221 0.000 1.277 147 W CB -0.713 28.684 29.460 -0.105 0.000 1.161 147 W HN 0.157 nan 8.180 nan 0.000 0.476 148 L N 0.873 121.938 121.223 -0.264 0.000 1.965 148 L HA -0.280 4.059 4.340 -0.001 0.000 0.226 148 L C 2.590 179.052 176.870 -0.680 0.000 1.083 148 L CA 2.700 57.181 54.840 -0.599 0.000 0.790 148 L CB -1.876 39.891 42.059 -0.487 0.000 0.898 148 L HN 0.095 nan 8.230 nan 0.000 0.439 149 V N -0.950 118.565 119.914 -0.665 0.000 2.439 149 V HA -0.340 3.779 4.120 -0.001 0.000 0.253 149 V C 2.519 178.342 176.094 -0.452 0.000 1.074 149 V CA 2.343 64.278 62.300 -0.608 0.000 1.076 149 V CB -0.316 30.956 31.823 -0.919 0.000 0.664 149 V HN 0.694 nan 8.190 nan 0.000 0.461 150 S N -0.662 114.737 115.700 -0.501 0.000 2.423 150 S HA -0.142 4.328 4.470 -0.001 0.000 0.231 150 S C 1.826 176.236 174.600 -0.316 0.000 1.014 150 S CA 1.709 59.746 58.200 -0.272 0.000 0.965 150 S CB -0.256 62.833 63.200 -0.184 0.000 0.785 150 S HN 0.815 nan 8.310 nan 0.000 0.495 151 T N 2.097 116.304 114.554 -0.578 0.000 2.896 151 T HA 0.171 4.520 4.350 -0.001 0.000 0.263 151 T C 1.737 176.272 174.700 -0.275 0.000 1.050 151 T CA 0.645 62.443 62.100 -0.503 0.000 1.140 151 T CB -0.234 68.121 68.868 -0.855 0.000 0.877 151 T HN 0.294 nan 8.240 nan 0.000 0.457 152 I N 1.581 121.976 120.570 -0.291 0.000 2.163 152 I HA -0.155 4.014 4.170 -0.001 0.000 0.240 152 I C 2.359 178.363 176.117 -0.188 0.000 1.081 152 I CA 1.196 62.374 61.300 -0.202 0.000 1.353 152 I CB -0.397 37.504 38.000 -0.164 0.000 1.054 152 I HN 0.068 nan 8.210 nan 0.000 0.407 153 D N 0.023 120.378 120.400 -0.075 0.000 2.126 153 D HA -0.292 4.347 4.640 -0.001 0.000 0.190 153 D C 1.993 178.263 176.300 -0.050 0.000 1.001 153 D CA 1.932 55.969 54.000 0.062 0.000 0.841 153 D CB -0.562 40.347 40.800 0.180 0.000 0.949 153 D HN 0.429 nan 8.370 nan 0.000 0.446 154 H N 0.558 119.559 119.070 -0.114 0.000 2.289 154 H HA -0.105 4.451 4.556 -0.001 0.000 0.296 154 H C 1.842 177.067 175.328 -0.172 0.000 1.091 154 H CA 2.617 58.589 56.048 -0.126 0.000 1.274 154 H CB -0.517 29.149 29.762 -0.160 0.000 1.364 154 H HN 0.075 nan 8.280 nan 0.000 0.490 155 A N 0.887 123.428 122.820 -0.466 0.000 1.917 155 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 155 A C 2.534 179.969 177.584 -0.249 0.000 1.182 155 A CA 1.784 53.563 52.037 -0.431 0.000 0.633 155 A CB -0.644 18.245 19.000 -0.186 0.000 0.819 155 A HN 0.499 nan 8.150 nan 0.000 0.448 156 L N -1.529 119.494 121.223 -0.333 0.000 2.202 156 L HA 0.013 4.353 4.340 -0.001 0.000 0.205 156 L C 2.708 179.439 176.870 -0.231 0.000 1.083 156 L CA 1.418 56.025 54.840 -0.389 0.000 0.790 156 L CB -1.401 40.106 42.059 -0.920 0.000 0.942 156 L HN 0.500 nan 8.230 nan 0.000 0.452 157 G N -0.016 108.691 108.800 -0.156 0.000 2.408 157 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 157 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 157 G C 1.457 176.358 174.900 0.001 0.000 1.150 157 G CA 1.245 46.364 45.100 0.033 0.000 0.776 157 G HN 0.449 nan 8.290 nan 0.000 0.542 158 T N -1.431 113.076 114.554 -0.078 0.000 3.169 158 T HA 0.350 4.699 4.350 -0.001 0.000 0.250 158 T C 0.687 175.445 174.700 0.096 0.000 1.111 158 T CA -0.449 61.644 62.100 -0.010 0.000 1.010 158 T CB 0.063 68.868 68.868 -0.105 0.000 0.984 158 T HN 0.017 nan 8.240 nan 0.000 0.537 159 L N 2.460 123.721 121.223 0.064 0.000 2.385 159 L HA 0.352 4.692 4.340 -0.001 0.000 0.281 159 L C 1.137 178.045 176.870 0.063 0.000 1.106 159 L CA -0.132 54.739 54.840 0.050 0.000 0.856 159 L CB 0.683 42.745 42.059 0.005 0.000 1.186 159 L HN 0.295 nan 8.230 nan 0.000 0.453 160 H N 4.406 123.459 119.070 -0.028 0.000 2.431 160 H HA 0.570 5.126 4.556 -0.001 0.000 0.295 160 H C -0.027 175.283 175.328 -0.030 0.000 1.038 160 H CA 0.739 56.774 56.048 -0.021 0.000 1.360 160 H CB 0.518 30.268 29.762 -0.020 0.000 1.433 160 H HN 0.670 nan 8.280 nan 0.000 0.536 161 A N -1.327 121.453 122.820 -0.067 0.000 2.599 161 A HA 0.572 4.892 4.320 -0.001 0.000 0.294 161 A C 0.131 177.672 177.584 -0.072 0.000 1.055 161 A CA -0.169 51.802 52.037 -0.110 0.000 0.683 161 A CB 0.413 19.352 19.000 -0.102 0.000 1.278 161 A HN 0.978 nan 8.150 nan 0.000 0.412 162 G N -0.549 108.209 108.800 -0.070 0.000 2.587 162 G HA2 0.478 4.438 3.960 -0.001 0.000 0.212 162 G HA3 0.478 4.438 3.960 -0.001 0.000 0.212 162 G C 0.495 175.357 174.900 -0.064 0.000 1.327 162 G CA 0.063 45.124 45.100 -0.063 0.000 0.898 162 G HN 2.384 nan 8.290 nan 0.000 0.551 163 G N -1.555 107.211 108.800 -0.057 0.000 2.410 163 G HA2 0.743 4.702 3.960 -0.001 0.000 0.330 163 G HA3 0.743 4.702 3.960 -0.001 0.000 0.330 163 G C -0.705 174.189 174.900 -0.009 0.000 1.142 163 G CA 0.194 45.268 45.100 -0.042 0.000 0.902 163 G HN 1.454 nan 8.290 nan 0.000 0.491 164 V N 1.672 121.603 119.914 0.029 0.000 2.588 164 V HA 0.370 4.490 4.120 -0.001 0.000 0.304 164 V C -0.655 175.536 176.094 0.161 0.000 1.042 164 V CA -0.856 61.498 62.300 0.090 0.000 0.877 164 V CB 1.783 33.644 31.823 0.063 0.000 0.996 164 V HN 0.886 nan 8.190 nan 0.000 0.425 165 H N 5.584 124.714 119.070 0.100 0.000 2.685 165 H HA 0.567 5.123 4.556 -0.001 0.000 0.307 165 H C -1.295 174.102 175.328 0.115 0.000 1.017 165 H CA -0.715 55.418 56.048 0.141 0.000 1.237 165 H CB 1.175 31.083 29.762 0.243 0.000 1.409 165 H HN 0.596 nan 8.280 nan 0.000 0.488 166 I N 4.900 125.399 120.570 -0.119 0.000 2.388 166 I HA 0.077 4.247 4.170 -0.001 0.000 0.281 166 I C 0.021 176.006 176.117 -0.220 0.000 1.046 166 I CA -0.612 60.591 61.300 -0.163 0.000 1.187 166 I CB 0.821 38.799 38.000 -0.035 0.000 1.351 166 I HN 0.511 nan 8.210 nan 0.000 0.472 167 N N 5.027 123.500 118.700 -0.379 0.000 2.497 167 N HA 0.232 4.971 4.740 -0.001 0.000 0.268 167 N C -1.053 174.438 175.510 -0.031 0.000 1.171 167 N CA -0.015 52.920 53.050 -0.192 0.000 0.948 167 N CB 0.642 39.019 38.487 -0.184 0.000 1.069 167 N HN 0.564 nan 8.380 nan 0.000 0.460 168 C N 5.993 125.314 119.300 0.036 0.000 2.647 168 C HA 0.409 4.869 4.460 -0.001 0.000 0.273 168 C C -2.370 172.558 174.990 -0.102 0.000 1.088 168 C CA -1.554 57.469 59.018 0.008 0.000 1.529 168 C CB 0.151 28.003 27.740 0.186 0.000 1.810 168 C HN 0.647 nan 8.230 nan 0.000 0.422 169 P HA 0.304 nan 4.420 nan 0.000 0.268 169 P C -0.747 176.278 177.300 -0.458 0.000 1.204 169 P CA 0.401 63.402 63.100 -0.165 0.000 0.768 169 P CB 0.303 31.921 31.700 -0.138 0.000 0.842 170 F N 0.898 120.810 119.950 -0.063 0.000 2.569 170 F HA 0.589 5.116 4.527 -0.001 0.000 0.312 170 F C 0.333 176.080 175.800 -0.089 0.000 1.109 170 F CA -0.967 56.968 58.000 -0.108 0.000 0.919 170 F CB 1.655 40.609 39.000 -0.077 0.000 1.211 170 F HN 0.201 nan 8.300 nan 0.000 0.446 171 A N 2.395 125.254 122.820 0.065 0.000 2.316 171 A HA 0.549 4.868 4.320 -0.001 0.000 0.284 171 A C -0.089 177.520 177.584 0.043 0.000 1.115 171 A CA -0.714 51.338 52.037 0.025 0.000 0.812 171 A CB 0.337 19.319 19.000 -0.031 0.000 1.064 171 A HN 0.702 nan 8.150 nan 0.000 0.489 172 E N 2.465 122.684 120.200 0.031 0.000 2.392 172 E HA 0.277 4.627 4.350 -0.001 0.000 0.259 172 E C -2.403 174.207 176.600 0.018 0.000 1.108 172 E CA -1.495 54.921 56.400 0.028 0.000 0.916 172 E CB -0.336 29.389 29.700 0.041 0.000 0.989 172 E HN 0.437 nan 8.360 nan 0.000 0.432 173 P HA 0.105 nan 4.420 nan 0.000 0.271 173 P C 0.091 177.391 177.300 -0.001 0.000 1.218 173 P CA -0.125 62.998 63.100 0.039 0.000 0.780 173 P CB 0.756 32.483 31.700 0.045 0.000 0.901 174 L N 0.862 122.070 121.223 -0.024 0.000 2.664 174 L HA 0.225 4.564 4.340 -0.001 0.000 0.233 174 L C 0.435 177.007 176.870 -0.497 0.000 1.113 174 L CA 0.139 54.806 54.840 -0.289 0.000 0.896 174 L CB -0.210 41.592 42.059 -0.428 0.000 1.163 174 L HN 0.331 nan 8.230 nan 0.000 0.497 179 D N 1.396 121.815 120.400 0.032 0.000 2.654 179 D HA 0.476 5.115 4.640 -0.001 0.000 0.255 179 D C -0.511 175.810 176.300 0.036 0.000 1.101 179 D CA -0.150 53.869 54.000 0.032 0.000 1.116 179 D CB 1.019 41.840 40.800 0.035 0.000 1.348 179 D HN 0.626 nan 8.370 nan 0.000 0.609 180 D N -0.412 120.010 120.400 0.037 0.000 2.344 180 D HA 0.032 4.671 4.640 -0.001 0.000 0.242 180 D C 1.035 177.378 176.300 0.071 0.000 1.159 180 D CA 0.306 54.334 54.000 0.045 0.000 0.859 180 D CB -0.232 40.589 40.800 0.036 0.000 0.925 180 D HN 0.211 nan 8.370 nan 0.000 0.510 181 T N -0.611 113.989 114.554 0.077 0.000 2.684 181 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 181 T C 1.868 176.664 174.700 0.160 0.000 1.036 181 T CA 1.467 63.623 62.100 0.094 0.000 1.148 181 T CB -0.099 68.817 68.868 0.080 0.000 0.863 181 T HN 0.331 nan 8.240 nan 0.000 0.436 182 G N 0.064 108.997 108.800 0.223 0.000 3.337 182 G HA2 0.290 4.250 3.960 -0.001 0.000 0.246 182 G HA3 0.290 4.250 3.960 -0.001 0.000 0.246 182 G C 1.190 176.290 174.900 0.333 0.000 1.131 182 G CA -0.269 45.033 45.100 0.338 0.000 0.773 182 G HN 0.305 nan 8.290 nan 0.000 0.544 183 L N 1.849 123.195 121.223 0.206 0.000 2.017 183 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 183 L C 3.061 180.042 176.870 0.185 0.000 1.073 183 L CA 2.615 57.545 54.840 0.149 0.000 0.745 183 L CB -0.567 41.531 42.059 0.065 0.000 0.894 183 L HN 0.280 nan 8.230 nan 0.000 0.432 184 S N -1.635 114.183 115.700 0.197 0.000 2.382 184 S HA -0.305 4.164 4.470 -0.001 0.000 0.228 184 S C 1.976 176.735 174.600 0.264 0.000 1.027 184 S CA 1.138 59.449 58.200 0.184 0.000 0.991 184 S CB -1.483 61.810 63.200 0.155 0.000 0.823 184 S HN 0.663 nan 8.310 nan 0.000 0.469 185 W N 1.947 123.328 121.300 0.135 0.000 2.358 185 W HA -0.080 4.580 4.660 -0.001 0.000 0.303 185 W C 2.458 179.074 176.519 0.161 0.000 1.208 185 W CA 1.503 58.951 57.345 0.172 0.000 1.274 185 W CB -0.258 29.374 29.460 0.286 0.000 1.138 185 W HN 0.336 nan 8.180 nan 0.000 0.515 186 Q N -0.021 120.081 119.800 0.503 0.000 2.050 186 Q HA -0.292 4.047 4.340 -0.001 0.000 0.202 186 Q C 2.264 178.425 176.000 0.268 0.000 0.980 186 Q CA 1.998 57.993 55.803 0.321 0.000 0.840 186 Q CB -0.519 28.367 28.738 0.246 0.000 0.898 186 Q HN 0.484 nan 8.270 nan 0.000 0.424 187 Q N -0.081 119.808 119.800 0.148 0.000 2.291 187 Q HA -0.084 4.255 4.340 -0.001 0.000 0.206 187 Q C 1.651 177.746 176.000 0.159 0.000 0.976 187 Q CA 0.482 56.362 55.803 0.129 0.000 0.875 187 Q CB 0.123 28.901 28.738 0.066 0.000 0.927 187 Q HN 0.204 nan 8.270 nan 0.000 0.450 188 R N 0.322 120.871 120.500 0.082 0.000 2.341 188 R HA -0.070 4.270 4.340 -0.001 0.000 0.213 188 R C 1.515 177.827 176.300 0.020 0.000 1.082 188 R CA 0.691 56.809 56.100 0.030 0.000 1.017 188 R CB -0.180 30.083 30.300 -0.061 0.000 0.860 188 R HN 0.357 nan 8.270 nan 0.000 0.473 189 L N -0.384 120.879 121.223 0.067 0.000 2.558 189 L HA 0.105 4.445 4.340 -0.001 0.000 0.225 189 L C 1.350 178.456 176.870 0.394 0.000 1.128 189 L CA 0.300 55.160 54.840 0.034 0.000 0.868 189 L CB -0.474 41.415 42.059 -0.283 0.000 1.006 189 L HN 0.262 nan 8.230 nan 0.000 0.454 190 G N 2.046 111.075 108.800 0.382 0.000 2.574 190 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.282 190 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.282 190 G C 0.402 175.547 174.900 0.409 0.000 1.257 190 G CA 0.443 45.747 45.100 0.340 0.000 0.956 190 G HN 0.550 nan 8.290 nan 0.000 0.560 191 D N -0.278 120.296 120.400 0.290 0.000 2.371 191 D HA 0.005 4.645 4.640 -0.001 0.000 0.234 191 D C 1.588 178.036 176.300 0.246 0.000 1.049 191 D CA 1.185 55.328 54.000 0.238 0.000 0.907 191 D CB -0.524 40.356 40.800 0.134 0.000 0.891 191 D HN 0.624 nan 8.370 nan 0.000 0.531 192 W N 0.493 121.875 121.300 0.137 0.000 2.325 192 W HA -0.158 4.502 4.660 -0.001 0.000 0.299 192 W C 1.166 177.673 176.519 -0.019 0.000 1.215 192 W CA 1.184 58.560 57.345 0.051 0.000 1.244 192 W CB -0.507 29.027 29.460 0.123 0.000 1.140 192 W HN 0.008 nan 8.180 nan 0.000 0.523 193 W N 0.049 121.432 121.300 0.139 0.000 2.421 193 W HA -0.152 4.508 4.660 -0.001 0.000 0.270 193 W C 1.998 178.397 176.519 -0.201 0.000 1.233 193 W CA 1.361 58.662 57.345 -0.073 0.000 1.226 193 W CB -0.433 29.090 29.460 0.105 0.000 1.121 193 W HN -0.026 nan 8.180 nan 0.000 0.579 194 Q N -0.969 118.860 119.800 0.047 0.000 2.281 194 Q HA 0.043 4.383 4.340 -0.001 0.000 0.215 194 Q C 0.547 176.470 176.000 -0.129 0.000 0.867 194 Q CA 0.181 55.970 55.803 -0.023 0.000 0.940 194 Q CB 0.185 28.936 28.738 0.022 0.000 1.111 194 Q HN 0.023 nan 8.270 nan 0.000 0.513 195 D N -0.485 119.777 120.400 -0.231 0.000 2.440 195 D HA 0.017 4.656 4.640 -0.001 0.000 0.269 195 D C 0.271 176.370 176.300 -0.334 0.000 1.249 195 D CA 0.110 53.958 54.000 -0.254 0.000 1.055 195 D CB 0.853 41.515 40.800 -0.230 0.000 1.104 195 D HN -0.170 nan 8.370 nan 0.000 0.561 196 D N -1.708 118.532 120.400 -0.266 0.000 2.403 196 D HA 0.127 4.767 4.640 -0.001 0.000 0.280 196 D C -0.322 175.853 176.300 -0.209 0.000 1.091 196 D CA 0.299 54.169 54.000 -0.216 0.000 0.884 196 D CB 0.537 41.253 40.800 -0.141 0.000 1.427 196 D HN 0.266 nan 8.370 nan 0.000 0.504 197 K N 0.804 121.097 120.400 -0.177 0.000 2.168 197 K HA 0.515 4.834 4.320 -0.001 0.000 0.239 197 K C -2.529 174.037 176.600 -0.056 0.000 0.999 197 K CA -1.802 54.412 56.287 -0.121 0.000 0.900 197 K CB 0.876 33.333 32.500 -0.070 0.000 1.111 197 K HN -0.175 nan 8.250 nan 0.000 0.452 198 P HA -0.174 nan 4.420 nan 0.000 0.271 198 P C 0.044 177.591 177.300 0.413 0.000 1.233 198 P CA -0.055 63.166 63.100 0.202 0.000 0.795 198 P CB 0.393 32.115 31.700 0.038 0.000 0.936 199 W N 1.567 122.981 121.300 0.189 0.000 2.407 199 W HA -0.009 4.650 4.660 -0.001 0.000 0.305 199 W C -0.125 176.363 176.519 -0.053 0.000 1.196 199 W CA 0.849 58.130 57.345 -0.107 0.000 1.311 199 W CB -0.099 29.061 29.460 -0.500 0.000 1.135 199 W HN 0.134 nan 8.180 nan 0.000 0.514 200 L N 1.800 123.101 121.223 0.130 0.000 2.356 200 L HA 0.440 4.779 4.340 -0.001 0.000 0.277 200 L C -0.584 176.324 176.870 0.064 0.000 0.996 200 L CA -0.534 54.330 54.840 0.041 0.000 0.822 200 L CB 1.651 43.774 42.059 0.106 0.000 1.256 200 L HN -0.214 nan 8.230 nan 0.000 0.413 201 R N 4.277 124.786 120.500 0.015 0.000 2.233 201 R HA 0.368 4.708 4.340 -0.001 0.000 0.334 201 R C -0.912 175.412 176.300 0.039 0.000 1.037 201 R CA -0.260 55.859 56.100 0.031 0.000 0.920 201 R CB 0.846 31.146 30.300 0.001 0.000 1.137 201 R HN 0.652 nan 8.270 nan 0.000 0.492 202 E N 2.079 122.319 120.200 0.066 0.000 2.255 202 E HA 0.445 4.795 4.350 -0.001 0.000 0.256 202 E C -1.308 175.329 176.600 0.061 0.000 0.887 202 E CA -0.574 55.864 56.400 0.064 0.000 0.782 202 E CB 1.530 31.286 29.700 0.094 0.000 1.214 202 E HN 0.635 nan 8.360 nan 0.000 0.417 203 A N 5.063 127.914 122.820 0.052 0.000 3.106 203 A HA 0.333 4.653 4.320 -0.001 0.000 0.227 203 A C -2.487 175.126 177.584 0.048 0.000 0.920 203 A CA -0.841 51.229 52.037 0.054 0.000 1.088 203 A CB -0.017 19.015 19.000 0.053 0.000 1.233 203 A HN 0.527 nan 8.150 nan 0.000 0.503 204 P HA 0.378 nan 4.420 nan 0.000 0.269 204 P C -0.187 177.139 177.300 0.043 0.000 1.209 204 P CA 0.146 63.269 63.100 0.038 0.000 0.776 204 P CB 0.496 32.218 31.700 0.037 0.000 0.876 205 R N 0.898 121.419 120.500 0.034 0.000 2.598 205 R HA 0.645 4.984 4.340 -0.001 0.000 0.279 205 R C -0.755 175.549 176.300 0.006 0.000 0.984 205 R CA -1.039 55.084 56.100 0.040 0.000 0.999 205 R CB 0.959 31.284 30.300 0.042 0.000 1.114 205 R HN 0.311 nan 8.270 nan 0.000 0.493 206 L N 1.453 122.663 121.223 -0.022 0.000 2.316 206 L HA 0.381 4.721 4.340 -0.001 0.000 0.280 206 L C -1.022 175.818 176.870 -0.049 0.000 1.006 206 L CA 0.194 54.979 54.840 -0.091 0.000 0.836 206 L CB 1.304 43.205 42.059 -0.264 0.000 1.221 206 L HN 0.596 nan 8.230 nan 0.000 0.418 207 E N 2.772 122.963 120.200 -0.015 0.000 2.278 207 E HA 0.352 4.702 4.350 -0.001 0.000 0.272 207 E C -1.065 175.551 176.600 0.026 0.000 0.890 207 E CA -0.577 55.837 56.400 0.024 0.000 0.770 207 E CB 1.957 31.682 29.700 0.042 0.000 1.212 207 E HN 0.547 nan 8.360 nan 0.000 0.415 208 S N 2.757 118.485 115.700 0.047 0.000 2.533 208 S HA -0.005 4.464 4.470 -0.001 0.000 0.282 208 S C 0.076 174.731 174.600 0.093 0.000 1.304 208 S CA -0.294 57.941 58.200 0.058 0.000 1.063 208 S CB 0.278 63.517 63.200 0.066 0.000 0.881 208 S HN 0.425 nan 8.310 nan 0.000 0.493 209 E N 2.674 122.911 120.200 0.063 0.000 2.437 209 E HA 0.017 4.367 4.350 -0.001 0.000 0.263 209 E C 0.016 176.675 176.600 0.099 0.000 1.030 209 E CA -0.500 55.935 56.400 0.060 0.000 0.934 209 E CB 0.430 30.153 29.700 0.038 0.000 0.943 209 E HN 0.458 nan 8.360 nan 0.000 0.444 210 K N 1.918 122.349 120.400 0.051 0.000 2.530 210 K HA -0.128 4.192 4.320 -0.001 0.000 0.280 210 K C -0.286 176.417 176.600 0.171 0.000 1.004 210 K CA 0.260 56.563 56.287 0.027 0.000 1.071 210 K CB 0.468 32.901 32.500 -0.111 0.000 0.876 210 K HN 0.440 nan 8.250 nan 0.000 0.487 211 Q N 4.672 124.743 119.800 0.452 0.000 2.423 211 Q HA 0.053 4.392 4.340 -0.001 0.000 0.235 211 Q C 0.443 176.681 176.000 0.396 0.000 1.100 211 Q CA 0.181 56.194 55.803 0.349 0.000 0.908 211 Q CB 0.938 29.821 28.738 0.241 0.000 1.312 211 Q HN 0.582 nan 8.270 nan 0.000 0.497 212 R N 1.188 121.836 120.500 0.247 0.000 2.293 212 R HA -0.115 4.225 4.340 -0.001 0.000 0.219 212 R C 0.529 176.986 176.300 0.261 0.000 1.091 212 R CA 1.154 57.363 56.100 0.183 0.000 1.004 212 R CB 0.300 30.656 30.300 0.093 0.000 0.865 212 R HN 0.508 nan 8.270 nan 0.000 0.469 213 D N -0.651 120.005 120.400 0.426 0.000 2.463 213 D HA -0.104 4.536 4.640 -0.001 0.000 0.224 213 D C 1.123 177.923 176.300 0.833 0.000 1.174 213 D CA -0.391 53.921 54.000 0.519 0.000 0.829 213 D CB -0.591 40.502 40.800 0.489 0.000 0.993 213 D HN 0.338 nan 8.370 nan 0.000 0.497 214 W N 0.359 122.057 121.300 0.664 0.000 2.418 214 W HA -0.148 4.511 4.660 -0.001 0.000 0.292 214 W C 0.404 177.324 176.519 0.668 0.000 1.213 214 W CA 0.244 58.057 57.345 0.780 0.000 1.283 214 W CB -0.226 29.689 29.460 0.759 0.000 1.119 214 W HN -0.154 nan 8.180 nan 0.000 0.542 215 F N 0.663 120.618 119.950 0.009 0.000 2.202 215 F HA -0.182 4.345 4.527 -0.001 0.000 0.301 215 F C 2.309 178.014 175.800 -0.159 0.000 1.082 215 F CA 1.407 59.283 58.000 -0.205 0.000 1.313 215 F CB -1.729 37.255 39.000 -0.028 0.000 1.024 215 F HN -0.081 nan 8.300 nan 0.000 0.495 216 F N -1.252 118.721 119.950 0.038 0.000 2.163 216 F HA -0.147 4.380 4.527 -0.001 0.000 0.297 216 F C 1.913 177.551 175.800 -0.269 0.000 1.094 216 F CA 1.276 59.186 58.000 -0.151 0.000 1.290 216 F CB -0.809 38.065 39.000 -0.209 0.000 1.017 216 F HN -0.078 nan 8.300 nan 0.000 0.483 217 W N 1.778 122.941 121.300 -0.228 0.000 2.436 217 W HA -0.030 4.629 4.660 -0.001 0.000 0.284 217 W C 2.556 178.837 176.519 -0.396 0.000 1.225 217 W CA 1.198 58.352 57.345 -0.318 0.000 1.271 217 W CB -0.277 29.230 29.460 0.079 0.000 1.114 217 W HN -0.017 nan 8.180 nan 0.000 0.559 218 R N 0.607 120.756 120.500 -0.585 0.000 2.280 218 R HA -0.060 4.279 4.340 -0.001 0.000 0.207 218 R C 1.125 177.230 176.300 -0.326 0.000 1.043 218 R CA 1.084 56.721 56.100 -0.772 0.000 1.006 218 R CB -0.676 28.758 30.300 -1.443 0.000 0.885 218 R HN 0.300 nan 8.270 nan 0.000 0.467 219 Q N 0.482 120.102 119.800 -0.299 0.000 2.360 219 Q HA 0.156 4.495 4.340 -0.001 0.000 0.202 219 Q C -0.264 175.632 176.000 -0.173 0.000 0.915 219 Q CA 0.191 55.863 55.803 -0.218 0.000 0.943 219 Q CB 0.545 29.127 28.738 -0.260 0.000 1.064 219 Q HN 0.050 nan 8.270 nan 0.000 0.511 220 K N 0.959 121.285 120.400 -0.123 0.000 2.139 220 K HA 0.331 4.651 4.320 -0.001 0.000 0.243 220 K C -0.189 176.222 176.600 -0.315 0.000 0.983 220 K CA -0.657 55.493 56.287 -0.227 0.000 0.890 220 K CB 0.868 33.237 32.500 -0.218 0.000 1.090 220 K HN -0.015 nan 8.250 nan 0.000 0.445 221 R N 0.723 120.838 120.500 -0.642 0.000 2.357 221 R HA 0.214 4.554 4.340 -0.001 0.000 0.330 221 R C 0.579 176.147 176.300 -1.220 0.000 1.102 221 R CA -0.027 55.310 56.100 -1.272 0.000 0.974 221 R CB -0.076 29.142 30.300 -1.803 0.000 1.002 221 R HN 0.632 nan 8.270 nan 0.000 0.463 222 G N 1.181 108.754 108.800 -2.047 0.000 2.552 222 G HA2 0.537 4.496 3.960 -0.001 0.000 0.324 222 G HA3 0.537 4.496 3.960 -0.001 0.000 0.324 222 G C -0.948 173.376 174.900 -0.961 0.000 1.217 222 G CA -0.449 43.289 45.100 -2.270 0.000 0.989 222 G HN 0.299 nan 8.290 nan 0.000 0.490 223 V N -0.338 119.386 119.914 -0.316 0.000 2.735 223 V HA 0.484 4.604 4.120 -0.001 0.000 0.310 223 V C -0.458 175.817 176.094 0.302 0.000 1.061 223 V CA -0.638 61.737 62.300 0.126 0.000 0.913 223 V CB 2.029 33.933 31.823 0.136 0.000 1.005 223 V HN 0.524 nan 8.190 nan 0.000 0.428 224 V N 4.888 125.021 119.914 0.366 0.000 2.357 224 V HA 0.474 4.594 4.120 -0.001 0.000 0.284 224 V C -0.271 175.949 176.094 0.210 0.000 1.018 224 V CA -0.570 61.945 62.300 0.359 0.000 0.841 224 V CB 1.666 33.762 31.823 0.455 0.000 0.991 224 V HN 0.590 nan 8.190 nan 0.000 0.437 225 V N 4.135 124.143 119.914 0.157 0.000 2.398 225 V HA 0.749 4.869 4.120 -0.001 0.000 0.286 225 V C 0.424 176.565 176.094 0.078 0.000 1.026 225 V CA -0.505 61.867 62.300 0.120 0.000 0.868 225 V CB 1.644 33.560 31.823 0.155 0.000 0.982 225 V HN 0.955 nan 8.190 nan 0.000 0.443 226 A N 3.982 126.837 122.820 0.059 0.000 2.256 226 A HA 0.834 5.153 4.320 -0.001 0.000 0.317 226 A C 0.499 178.088 177.584 0.008 0.000 1.318 226 A CA 0.093 52.145 52.037 0.025 0.000 0.894 226 A CB 0.808 19.826 19.000 0.030 0.000 1.165 226 A HN 0.963 nan 8.150 nan 0.000 0.525 227 G N 0.781 109.577 108.800 -0.007 0.000 2.641 227 G HA2 0.445 4.404 3.960 -0.001 0.000 0.239 227 G HA3 0.445 4.404 3.960 -0.001 0.000 0.239 227 G C 0.201 175.082 174.900 -0.031 0.000 1.402 227 G CA -0.855 44.236 45.100 -0.015 0.000 1.046 227 G HN 0.864 nan 8.290 nan 0.000 0.565 228 R N -0.000 120.479 120.500 -0.035 0.000 2.570 228 R HA 0.342 4.682 4.340 -0.001 0.000 0.277 228 R C -0.003 176.270 176.300 -0.045 0.000 1.039 228 R CA 0.692 56.767 56.100 -0.042 0.000 1.065 228 R CB -0.105 30.175 30.300 -0.032 0.000 0.964 228 R HN 0.627 nan 8.270 nan 0.000 0.428 229 M N 0.391 119.959 119.600 -0.053 0.000 3.472 229 M HA 0.285 4.764 4.480 -0.001 0.000 0.293 229 M C -0.849 175.415 176.300 -0.059 0.000 1.316 229 M CA -1.060 54.210 55.300 -0.051 0.000 0.857 229 M CB 1.334 33.899 32.600 -0.058 0.000 1.708 229 M HN 0.506 nan 8.290 nan 0.000 0.505 230 S N 0.645 116.316 115.700 -0.048 0.000 2.645 230 S HA 0.717 5.186 4.470 -0.001 0.000 0.266 230 S C 1.065 175.623 174.600 -0.069 0.000 1.258 230 S CA -0.103 58.066 58.200 -0.053 0.000 0.990 230 S CB 1.356 64.544 63.200 -0.020 0.000 0.967 230 S HN 1.063 nan 8.310 nan 0.000 0.556 231 A N 1.531 124.299 122.820 -0.086 0.000 1.859 231 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 231 A C 2.181 179.739 177.584 -0.044 0.000 1.209 231 A CA 1.933 53.922 52.037 -0.079 0.000 0.639 231 A CB -1.346 17.601 19.000 -0.090 0.000 0.835 231 A HN 0.908 nan 8.150 nan 0.000 0.450 232 E N -0.214 119.967 120.200 -0.032 0.000 2.110 232 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 232 E C 1.898 178.489 176.600 -0.015 0.000 0.988 232 E CA 1.509 57.898 56.400 -0.017 0.000 0.804 232 E CB -0.457 29.237 29.700 -0.011 0.000 0.745 232 E HN 0.813 nan 8.360 nan 0.000 0.458 233 E N 0.002 120.188 120.200 -0.024 0.000 2.150 233 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 233 E C 2.102 178.684 176.600 -0.030 0.000 0.985 233 E CA 0.888 57.269 56.400 -0.031 0.000 0.814 233 E CB -0.188 29.487 29.700 -0.041 0.000 0.752 233 E HN 0.310 nan 8.360 nan 0.000 0.466 234 G N 1.140 109.924 108.800 -0.027 0.000 2.403 234 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 234 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 234 G C 1.454 176.358 174.900 0.007 0.000 1.154 234 G CA 0.390 45.481 45.100 -0.015 0.000 0.784 234 G HN 0.073 nan 8.290 nan 0.000 0.538 235 K N 0.235 120.638 120.400 0.005 0.000 2.025 235 K HA -0.013 4.307 4.320 -0.001 0.000 0.207 235 K C 2.568 179.191 176.600 0.038 0.000 1.049 235 K CA 1.113 57.412 56.287 0.019 0.000 0.933 235 K CB -0.122 32.384 32.500 0.011 0.000 0.714 235 K HN 0.139 nan 8.250 nan 0.000 0.438 236 K N 0.407 120.825 120.400 0.030 0.000 2.063 236 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 236 K C 1.940 178.590 176.600 0.082 0.000 1.048 236 K CA 1.417 57.732 56.287 0.047 0.000 0.928 236 K CB -0.061 32.447 32.500 0.013 0.000 0.713 236 K HN -0.049 nan 8.250 nan 0.000 0.442 237 V N 0.853 120.794 119.914 0.045 0.000 2.515 237 V HA -0.216 3.904 4.120 -0.001 0.000 0.250 237 V C 2.226 178.439 176.094 0.199 0.000 1.058 237 V CA 1.852 64.204 62.300 0.088 0.000 1.064 237 V CB -0.651 31.176 31.823 0.005 0.000 0.675 237 V HN 0.357 nan 8.190 nan 0.000 0.461 238 A N 0.097 122.993 122.820 0.126 0.000 1.902 238 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 238 A C 2.226 179.884 177.584 0.123 0.000 1.181 238 A CA 1.747 53.851 52.037 0.112 0.000 0.623 238 A CB -0.496 18.542 19.000 0.063 0.000 0.818 238 A HN 0.493 nan 8.150 nan 0.000 0.443 239 L N -2.834 118.466 121.223 0.128 0.000 2.056 239 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 239 L C 2.492 179.453 176.870 0.152 0.000 1.078 239 L CA 1.510 56.417 54.840 0.112 0.000 0.749 239 L CB -0.503 41.615 42.059 0.098 0.000 0.901 239 L HN 0.713 nan 8.230 nan 0.000 0.433 240 W N 0.801 122.106 121.300 0.008 0.000 2.333 240 W HA -0.296 4.363 4.660 -0.001 0.000 0.316 240 W C 2.600 179.102 176.519 -0.028 0.000 1.215 240 W CA 2.294 59.641 57.345 0.004 0.000 1.278 240 W CB -0.282 29.202 29.460 0.039 0.000 1.154 240 W HN 0.134 nan 8.180 nan 0.000 0.486 241 A N -0.287 122.679 122.820 0.243 0.000 1.865 241 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 241 A C 2.013 179.574 177.584 -0.038 0.000 1.191 241 A CA 2.083 54.161 52.037 0.070 0.000 0.623 241 A CB -1.309 17.818 19.000 0.212 0.000 0.826 241 A HN 0.545 nan 8.150 nan 0.000 0.444 242 Q N -0.881 118.923 119.800 0.006 0.000 2.061 242 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 242 Q C 2.128 178.084 176.000 -0.074 0.000 0.984 242 Q CA 2.307 58.096 55.803 -0.023 0.000 0.846 242 Q CB -0.337 28.399 28.738 -0.004 0.000 0.902 242 Q HN 0.670 nan 8.270 nan 0.000 0.421 243 T N 1.453 115.948 114.554 -0.099 0.000 2.720 243 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 243 T C 1.736 176.293 174.700 -0.238 0.000 1.037 243 T CA 1.229 63.243 62.100 -0.144 0.000 1.144 243 T CB -0.182 68.603 68.868 -0.140 0.000 0.864 243 T HN 0.262 nan 8.240 nan 0.000 0.444 244 L N 0.488 121.476 121.223 -0.391 0.000 2.478 244 L HA 0.197 4.536 4.340 -0.001 0.000 0.223 244 L C 1.879 178.578 176.870 -0.284 0.000 1.140 244 L CA 0.358 54.849 54.840 -0.582 0.000 0.842 244 L CB -0.765 40.569 42.059 -1.208 0.000 0.953 244 L HN 0.481 nan 8.230 nan 0.000 0.452 245 G N -0.574 108.163 108.800 -0.106 0.000 2.323 245 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.292 245 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.292 245 G C -0.421 174.664 174.900 0.309 0.000 1.040 245 G CA -0.198 44.937 45.100 0.057 0.000 0.942 245 G HN 0.185 nan 8.290 nan 0.000 0.506 246 W N 0.018 121.314 121.300 -0.006 0.000 2.438 246 W HA 0.542 5.201 4.660 -0.001 0.000 0.324 246 W C -1.638 174.823 176.519 -0.097 0.000 1.119 246 W CA -3.266 54.102 57.345 0.039 0.000 1.221 246 W CB 0.525 30.070 29.460 0.140 0.000 1.253 246 W HN 0.038 nan 8.180 nan 0.000 0.555 247 P HA 0.007 nan 4.420 nan 0.000 0.267 247 P C -0.613 176.737 177.300 0.083 0.000 1.205 247 P CA -0.116 62.938 63.100 -0.076 0.000 0.765 247 P CB 0.927 32.485 31.700 -0.237 0.000 0.828 248 L N 5.273 126.545 121.223 0.083 0.000 2.262 248 L HA 0.362 4.701 4.340 -0.001 0.000 0.288 248 L C -0.277 176.669 176.870 0.127 0.000 1.035 248 L CA -0.606 54.309 54.840 0.126 0.000 0.820 248 L CB -0.018 42.114 42.059 0.122 0.000 1.204 248 L HN 0.206 nan 8.230 nan 0.000 0.424 249 I N 5.607 126.249 120.570 0.119 0.000 2.329 249 I HA 0.333 4.502 4.170 -0.001 0.000 0.295 249 I C 0.909 177.057 176.117 0.052 0.000 1.109 249 I CA 0.156 61.504 61.300 0.081 0.000 1.297 249 I CB 0.524 38.520 38.000 -0.007 0.000 1.433 249 I HN 0.790 nan 8.210 nan 0.000 0.509 250 G N 5.321 114.147 108.800 0.044 0.000 2.468 250 G HA2 0.157 4.116 3.960 -0.001 0.000 0.315 250 G HA3 0.157 4.116 3.960 -0.001 0.000 0.315 250 G C -0.452 174.444 174.900 -0.005 0.000 1.203 250 G CA -0.458 44.657 45.100 0.025 0.000 0.962 250 G HN 0.560 nan 8.290 nan 0.000 0.476 251 D N 1.417 121.809 120.400 -0.014 0.000 2.362 251 D HA -0.063 4.576 4.640 -0.001 0.000 0.238 251 D C 2.018 178.295 176.300 -0.037 0.000 1.212 251 D CA -0.217 53.764 54.000 -0.031 0.000 0.902 251 D CB 1.624 42.407 40.800 -0.027 0.000 1.180 251 D HN 0.147 nan 8.370 nan 0.000 0.445 252 V N 1.730 121.616 119.914 -0.048 0.000 2.392 252 V HA -0.245 3.874 4.120 -0.001 0.000 0.249 252 V C 2.301 178.359 176.094 -0.060 0.000 1.059 252 V CA 1.334 63.602 62.300 -0.053 0.000 1.051 252 V CB -0.841 30.945 31.823 -0.062 0.000 0.658 252 V HN 0.509 nan 8.190 nan 0.000 0.455 253 L N 1.729 122.913 121.223 -0.065 0.000 2.622 253 L HA -0.024 4.316 4.340 -0.001 0.000 0.233 253 L C 2.541 179.370 176.870 -0.069 0.000 1.156 253 L CA 1.159 55.953 54.840 -0.076 0.000 0.866 253 L CB -0.680 41.339 42.059 -0.068 0.000 0.980 253 L HN 0.603 nan 8.230 nan 0.000 0.448 254 S N -0.992 114.678 115.700 -0.050 0.000 2.458 254 S HA -0.095 4.375 4.470 -0.001 0.000 0.223 254 S C 1.122 175.698 174.600 -0.039 0.000 1.019 254 S CA 0.097 58.273 58.200 -0.039 0.000 0.937 254 S CB 0.084 63.273 63.200 -0.019 0.000 0.788 254 S HN 0.473 nan 8.310 nan 0.000 0.511 255 Q N 0.586 120.364 119.800 -0.037 0.000 2.468 255 Q HA -0.171 4.168 4.340 -0.001 0.000 0.256 255 Q C 1.082 177.077 176.000 -0.009 0.000 0.984 255 Q CA 1.188 56.976 55.803 -0.024 0.000 1.110 255 Q CB -2.746 25.966 28.738 -0.045 0.000 1.527 255 Q HN 0.912 nan 8.270 nan 0.000 0.535 256 T N -4.832 109.721 114.554 -0.002 0.000 2.995 256 T HA 0.213 4.563 4.350 -0.001 0.000 0.269 256 T C 1.647 176.355 174.700 0.013 0.000 1.091 256 T CA 0.925 63.033 62.100 0.014 0.000 1.128 256 T CB 0.270 69.155 68.868 0.028 0.000 0.891 256 T HN 1.056 nan 8.240 nan 0.000 0.492 257 G N 0.952 109.754 108.800 0.003 0.000 2.179 257 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.220 257 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.220 257 G C 0.095 174.994 174.900 -0.003 0.000 0.990 257 G CA -0.126 44.972 45.100 -0.005 0.000 0.646 257 G HN 0.623 nan 8.290 nan 0.000 0.517 258 Q N -0.710 119.095 119.800 0.009 0.000 2.410 258 Q HA -0.193 4.147 4.340 -0.001 0.000 0.369 258 Q C -1.343 174.674 176.000 0.029 0.000 1.342 258 Q CA 0.774 56.591 55.803 0.023 0.000 1.133 258 Q CB -0.255 28.491 28.738 0.013 0.000 1.288 258 Q HN 0.553 nan 8.270 nan 0.000 0.320 259 P HA -0.045 nan 4.420 nan 0.000 0.249 259 P C 0.125 177.431 177.300 0.010 0.000 1.229 259 P CA 0.762 63.868 63.100 0.009 0.000 0.788 259 P CB 0.414 32.114 31.700 -0.000 0.000 1.072 260 L N 1.418 122.681 121.223 0.067 0.000 3.030 260 L HA 0.343 4.683 4.340 -0.001 0.000 0.252 260 L C -2.138 174.937 176.870 0.342 0.000 1.316 260 L CA -1.954 52.959 54.840 0.122 0.000 0.975 260 L CB 0.612 42.740 42.059 0.116 0.000 1.357 260 L HN -0.116 nan 8.230 nan 0.000 0.534 261 P HA -0.017 nan 4.420 nan 0.000 0.271 261 P C 0.432 177.864 177.300 0.219 0.000 1.244 261 P CA 0.120 63.313 63.100 0.155 0.000 0.793 261 P CB 0.963 32.710 31.700 0.079 0.000 0.984 262 C N -0.950 118.398 119.300 0.081 0.000 4.454 262 C HA -0.101 4.359 4.460 -0.001 0.000 0.298 262 C C 2.114 177.005 174.990 -0.164 0.000 1.384 262 C CA 0.329 59.360 59.018 0.023 0.000 2.002 262 C CB -3.158 24.639 27.740 0.095 0.000 1.249 262 C HN 0.741 nan 8.230 nan 0.000 0.783 263 A N 0.159 122.760 122.820 -0.364 0.000 1.933 263 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 263 A C 1.729 178.809 177.584 -0.841 0.000 1.175 263 A CA 2.361 53.745 52.037 -1.088 0.000 0.628 263 A CB -0.408 18.160 19.000 -0.719 0.000 0.814 263 A HN 0.731 nan 8.150 nan 0.000 0.444 264 D N -0.974 119.177 120.400 -0.416 0.000 2.351 264 D HA -0.045 4.594 4.640 -0.001 0.000 0.216 264 D C 1.597 177.761 176.300 -0.227 0.000 0.968 264 D CA 0.788 54.625 54.000 -0.273 0.000 0.899 264 D CB -0.020 40.683 40.800 -0.161 0.000 0.907 264 D HN 0.496 nan 8.370 nan 0.000 0.514 265 L N -0.627 120.453 121.223 -0.239 0.000 2.347 265 L HA 0.139 4.479 4.340 -0.001 0.000 0.196 265 L C 2.273 179.103 176.870 -0.066 0.000 1.072 265 L CA 0.084 54.855 54.840 -0.114 0.000 0.817 265 L CB -0.718 41.315 42.059 -0.044 0.000 1.029 265 L HN 0.335 nan 8.230 nan 0.000 0.478 266 W N 0.350 121.608 121.300 -0.070 0.000 2.465 266 W HA -0.058 4.602 4.660 -0.001 0.000 0.268 266 W C 1.532 177.999 176.519 -0.086 0.000 1.242 266 W CA 0.166 57.463 57.345 -0.080 0.000 1.248 266 W CB -0.756 28.649 29.460 -0.091 0.000 1.118 266 W HN 0.110 nan 8.180 nan 0.000 0.587 267 L N 1.758 122.814 121.223 -0.280 0.000 2.353 267 L HA -0.001 4.338 4.340 -0.001 0.000 0.220 267 L C 2.438 179.288 176.870 -0.033 0.000 1.133 267 L CA 1.466 56.168 54.840 -0.230 0.000 0.798 267 L CB -0.912 40.891 42.059 -0.427 0.000 0.922 267 L HN 0.121 nan 8.230 nan 0.000 0.445 268 G N -1.161 107.623 108.800 -0.026 0.000 3.383 268 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.251 268 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.251 268 G C 0.134 175.048 174.900 0.023 0.000 1.203 268 G CA -0.236 44.865 45.100 0.002 0.000 0.852 268 G HN 0.111 nan 8.290 nan 0.000 0.531 269 N N 0.693 119.433 118.700 0.067 0.000 2.424 269 N HA 0.430 5.169 4.740 -0.001 0.000 0.271 269 N C 1.290 176.849 175.510 0.081 0.000 0.985 269 N CA -0.006 53.085 53.050 0.068 0.000 0.921 269 N CB 1.771 40.309 38.487 0.084 0.000 1.149 269 N HN -0.057 nan 8.380 nan 0.000 0.492 270 A N 4.596 127.458 122.820 0.071 0.000 1.948 270 A HA -0.235 4.084 4.320 -0.001 0.000 0.220 270 A C 1.829 179.456 177.584 0.072 0.000 1.177 270 A CA 1.996 54.079 52.037 0.077 0.000 0.636 270 A CB -0.466 18.576 19.000 0.071 0.000 0.815 270 A HN 0.862 nan 8.150 nan 0.000 0.449 271 K N -0.745 119.689 120.400 0.056 0.000 2.365 271 K HA 0.248 4.568 4.320 -0.001 0.000 0.199 271 K C 1.812 178.427 176.600 0.024 0.000 1.045 271 K CA 1.078 57.387 56.287 0.036 0.000 0.962 271 K CB -0.283 32.226 32.500 0.016 0.000 0.759 271 K HN 0.288 nan 8.250 nan 0.000 0.469 272 A N 2.098 124.946 122.820 0.047 0.000 1.861 272 A HA -0.084 4.235 4.320 -0.001 0.000 0.212 272 A C 2.335 179.965 177.584 0.077 0.000 1.199 272 A CA 1.519 53.587 52.037 0.051 0.000 0.613 272 A CB -1.082 18.031 19.000 0.188 0.000 0.846 272 A HN 0.514 nan 8.150 nan 0.000 0.446 273 T N -2.285 112.337 114.554 0.113 0.000 2.929 273 T HA -0.077 4.272 4.350 -0.001 0.000 0.271 273 T C 1.885 176.687 174.700 0.170 0.000 1.085 273 T CA 1.685 63.884 62.100 0.165 0.000 1.125 273 T CB -0.374 68.617 68.868 0.204 0.000 0.874 273 T HN 0.223 nan 8.240 nan 0.000 0.494 274 S N 1.228 116.999 115.700 0.118 0.000 2.387 274 S HA -0.007 4.462 4.470 -0.001 0.000 0.226 274 S C 2.021 176.692 174.600 0.119 0.000 1.026 274 S CA 1.008 59.272 58.200 0.108 0.000 0.972 274 S CB -0.212 63.033 63.200 0.075 0.000 0.814 274 S HN 0.693 nan 8.310 nan 0.000 0.477 275 E N 0.848 121.110 120.200 0.104 0.000 2.076 275 E HA 0.039 4.388 4.350 -0.001 0.000 0.190 275 E C 1.759 178.510 176.600 0.251 0.000 0.979 275 E CA 0.569 57.051 56.400 0.136 0.000 0.807 275 E CB -0.025 29.674 29.700 -0.002 0.000 0.761 275 E HN 0.382 nan 8.360 nan 0.000 0.454 276 L N 0.497 121.838 121.223 0.198 0.000 2.291 276 L HA -0.088 4.252 4.340 -0.001 0.000 0.214 276 L C 2.337 179.432 176.870 0.375 0.000 1.120 276 L CA 0.581 55.594 54.840 0.288 0.000 0.799 276 L CB -0.162 41.952 42.059 0.091 0.000 0.925 276 L HN 0.190 nan 8.230 nan 0.000 0.446 277 Q N -0.051 119.926 119.800 0.294 0.000 2.508 277 Q HA -0.211 4.129 4.340 -0.001 0.000 0.214 277 Q C 1.763 177.847 176.000 0.141 0.000 0.979 277 Q CA 0.998 56.933 55.803 0.220 0.000 0.911 277 Q CB 0.153 28.992 28.738 0.168 0.000 0.969 277 Q HN 0.580 nan 8.270 nan 0.000 0.504 278 Q N -1.145 118.738 119.800 0.138 0.000 2.391 278 Q HA 0.218 4.558 4.340 -0.001 0.000 0.211 278 Q C 0.125 176.012 176.000 -0.188 0.000 0.908 278 Q CA 0.125 55.916 55.803 -0.020 0.000 0.920 278 Q CB 0.556 29.281 28.738 -0.021 0.000 1.056 278 Q HN 0.205 nan 8.270 nan 0.000 0.523 279 A N 1.873 124.650 122.820 -0.073 0.000 2.540 279 A HA -0.106 4.214 4.320 -0.001 0.000 0.264 279 A C 0.795 178.290 177.584 -0.148 0.000 1.080 279 A CA 0.230 52.168 52.037 -0.164 0.000 0.776 279 A CB 0.113 19.187 19.000 0.122 0.000 1.011 279 A HN 0.328 nan 8.150 nan 0.000 0.514 280 Q N 1.373 121.027 119.800 -0.243 0.000 2.311 280 Q HA 0.159 4.499 4.340 -0.001 0.000 0.203 280 Q C 0.154 176.137 176.000 -0.029 0.000 0.954 280 Q CA 0.728 56.485 55.803 -0.076 0.000 0.885 280 Q CB 0.040 28.750 28.738 -0.048 0.000 0.963 280 Q HN 0.803 nan 8.270 nan 0.000 0.471 281 I N -0.702 119.751 120.570 -0.196 0.000 2.752 281 I HA 0.288 4.458 4.170 -0.001 0.000 0.295 281 I C -1.736 174.158 176.117 -0.372 0.000 1.219 281 I CA -1.123 59.975 61.300 -0.337 0.000 1.030 281 I CB 2.424 40.156 38.000 -0.446 0.000 1.259 281 I HN -0.312 nan 8.210 nan 0.000 0.423 282 V N 6.941 126.599 119.914 -0.426 0.000 2.540 282 V HA 0.584 4.703 4.120 -0.001 0.000 0.302 282 V C -0.746 175.057 176.094 -0.485 0.000 1.035 282 V CA -0.731 61.311 62.300 -0.430 0.000 0.873 282 V CB 1.664 33.118 31.823 -0.615 0.000 0.992 282 V HN 0.499 nan 8.190 nan 0.000 0.428 283 V N 5.001 124.822 119.914 -0.155 0.000 2.326 283 V HA 0.405 4.524 4.120 -0.001 0.000 0.281 283 V C -0.082 176.006 176.094 -0.011 0.000 1.015 283 V CA -0.503 61.771 62.300 -0.043 0.000 0.823 283 V CB 1.343 33.305 31.823 0.233 0.000 1.009 283 V HN 1.002 nan 8.190 nan 0.000 0.436 284 Q N 5.782 125.516 119.800 -0.111 0.000 2.303 284 Q HA 0.533 4.872 4.340 -0.001 0.000 0.257 284 Q C -1.568 174.378 176.000 -0.089 0.000 0.941 284 Q CA -0.662 55.123 55.803 -0.030 0.000 0.931 284 Q CB 1.432 30.213 28.738 0.071 0.000 1.215 284 Q HN 0.552 nan 8.270 nan 0.000 0.437 285 L N 4.424 125.592 121.223 -0.092 0.000 2.280 285 L HA 0.717 5.057 4.340 -0.001 0.000 0.287 285 L C 0.686 177.495 176.870 -0.102 0.000 1.023 285 L CA 0.599 55.336 54.840 -0.172 0.000 0.819 285 L CB 0.072 42.005 42.059 -0.210 0.000 1.212 285 L HN 1.057 nan 8.230 nan 0.000 0.420 286 G N 3.186 111.920 108.800 -0.109 0.000 2.610 286 G HA2 0.025 3.984 3.960 -0.001 0.000 0.304 286 G HA3 0.025 3.984 3.960 -0.001 0.000 0.304 286 G C -0.451 174.427 174.900 -0.036 0.000 1.309 286 G CA -0.176 44.884 45.100 -0.067 0.000 0.906 286 G HN 0.981 nan 8.290 nan 0.000 0.521 287 S N -2.971 112.714 115.700 -0.024 0.000 2.873 287 S HA 0.804 5.273 4.470 -0.001 0.000 0.303 287 S C 0.550 175.143 174.600 -0.012 0.000 1.222 287 S CA 0.730 58.924 58.200 -0.010 0.000 0.923 287 S CB 1.029 64.221 63.200 -0.013 0.000 1.286 287 S HN 2.530 nan 8.310 nan 0.000 0.571 288 S N 0.311 116.004 115.700 -0.011 0.000 3.706 288 S HA -0.104 4.366 4.470 -0.001 0.000 0.363 288 S C -0.168 174.422 174.600 -0.016 0.000 0.999 288 S CA 0.249 58.441 58.200 -0.015 0.000 1.143 288 S CB -1.899 61.291 63.200 -0.017 0.000 0.902 288 S HN 0.714 nan 8.310 nan 0.000 0.476 289 L N 1.359 122.577 121.223 -0.007 0.000 2.485 289 L HA 0.188 4.528 4.340 -0.001 0.000 0.275 289 L C 1.811 178.671 176.870 -0.017 0.000 1.207 289 L CA 1.016 55.853 54.840 -0.005 0.000 0.855 289 L CB -0.135 41.936 42.059 0.020 0.000 1.114 289 L HN 0.398 nan 8.230 nan 0.000 0.485 290 T N 1.144 115.682 114.554 -0.027 0.000 2.896 290 T HA 0.123 4.472 4.350 -0.001 0.000 0.238 290 T C 0.893 175.569 174.700 -0.039 0.000 1.045 290 T CA 0.478 62.555 62.100 -0.038 0.000 1.248 290 T CB -0.498 68.340 68.868 -0.050 0.000 0.955 290 T HN 0.751 nan 8.240 nan 0.000 0.416 291 G N 0.741 109.511 108.800 -0.049 0.000 2.614 291 G HA2 0.146 4.105 3.960 -0.001 0.000 0.239 291 G HA3 0.146 4.105 3.960 -0.001 0.000 0.239 291 G C 0.651 175.526 174.900 -0.041 0.000 1.240 291 G CA -0.351 44.715 45.100 -0.056 0.000 0.842 291 G HN 0.288 nan 8.290 nan 0.000 0.584 292 K N 0.058 120.435 120.400 -0.039 0.000 2.155 292 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 292 K C 2.578 179.170 176.600 -0.014 0.000 1.052 292 K CA 0.438 56.712 56.287 -0.022 0.000 0.948 292 K CB -0.032 32.457 32.500 -0.019 0.000 0.728 292 K HN 0.343 nan 8.250 nan 0.000 0.448 293 R N 0.661 121.138 120.500 -0.039 0.000 2.066 293 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 293 R C 2.289 178.602 176.300 0.022 0.000 1.131 293 R CA 0.765 56.845 56.100 -0.035 0.000 0.955 293 R CB -0.867 29.364 30.300 -0.116 0.000 0.851 293 R HN 0.194 nan 8.270 nan 0.000 0.432 294 L N 1.089 122.310 121.223 -0.003 0.000 2.056 294 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 294 L C 2.170 179.124 176.870 0.140 0.000 1.078 294 L CA 1.417 56.305 54.840 0.080 0.000 0.749 294 L CB -0.542 41.517 42.059 -0.000 0.000 0.901 294 L HN 0.049 nan 8.230 nan 0.000 0.433 295 L N -1.029 120.230 121.223 0.061 0.000 2.131 295 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 295 L C 2.595 179.487 176.870 0.036 0.000 1.092 295 L CA 1.234 56.095 54.840 0.035 0.000 0.759 295 L CB -0.530 41.532 42.059 0.004 0.000 0.903 295 L HN 0.394 nan 8.230 nan 0.000 0.435 296 Q N -1.344 118.491 119.800 0.059 0.000 2.049 296 Q HA -0.233 4.107 4.340 -0.001 0.000 0.198 296 Q C 2.022 178.074 176.000 0.086 0.000 0.971 296 Q CA 1.783 57.619 55.803 0.054 0.000 0.833 296 Q CB -0.282 28.489 28.738 0.055 0.000 0.896 296 Q HN 0.550 nan 8.270 nan 0.000 0.434 297 W N 2.050 123.348 121.300 -0.004 0.000 2.333 297 W HA -0.261 4.399 4.660 -0.001 0.000 0.316 297 W C 2.290 178.850 176.519 0.069 0.000 1.215 297 W CA 2.079 59.440 57.345 0.026 0.000 1.278 297 W CB -0.339 29.127 29.460 0.009 0.000 1.154 297 W HN 0.149 nan 8.180 nan 0.000 0.486 298 Q N 0.273 119.965 119.800 -0.179 0.000 2.096 298 Q HA -0.255 4.085 4.340 -0.001 0.000 0.204 298 Q C 2.224 178.109 176.000 -0.192 0.000 0.982 298 Q CA 2.359 57.974 55.803 -0.314 0.000 0.850 298 Q CB -0.620 28.089 28.738 -0.049 0.000 0.901 298 Q HN 0.336 nan 8.270 nan 0.000 0.422 299 A N 0.662 123.396 122.820 -0.143 0.000 1.908 299 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 299 A C 2.228 179.702 177.584 -0.183 0.000 1.181 299 A CA 2.305 54.249 52.037 -0.154 0.000 0.627 299 A CB -0.748 18.187 19.000 -0.109 0.000 0.818 299 A HN 0.657 nan 8.150 nan 0.000 0.445 300 S N -0.711 114.876 115.700 -0.188 0.000 2.421 300 S HA -0.043 4.427 4.470 -0.001 0.000 0.224 300 S C 1.271 175.762 174.600 -0.182 0.000 1.035 300 S CA 0.338 58.446 58.200 -0.153 0.000 0.953 300 S CB -1.818 61.334 63.200 -0.080 0.000 0.810 300 S HN 1.143 nan 8.310 nan 0.000 0.497 301 C N 2.632 121.688 119.300 -0.407 0.000 2.692 301 C HA 0.356 4.816 4.460 -0.001 0.000 0.409 301 C C 0.246 175.230 174.990 -0.010 0.000 1.284 301 C CA -0.706 58.086 59.018 -0.376 0.000 1.909 301 C CB -0.657 26.462 27.740 -1.036 0.000 2.713 301 C HN 0.609 nan 8.230 nan 0.000 0.649 302 E N 2.779 123.000 120.200 0.035 0.000 3.666 302 E HA 0.291 4.640 4.350 -0.001 0.000 0.230 302 E C -2.342 174.321 176.600 0.105 0.000 1.235 302 E CA -0.940 55.526 56.400 0.110 0.000 1.096 302 E CB 0.556 30.297 29.700 0.069 0.000 1.287 302 E HN 0.727 nan 8.360 nan 0.000 0.406 303 P HA 0.126 nan 4.420 nan 0.000 0.276 303 P C 0.461 177.823 177.300 0.104 0.000 1.244 303 P CA -0.223 62.914 63.100 0.061 0.000 0.801 303 P CB 1.470 33.158 31.700 -0.020 0.000 1.006 304 E N 0.392 120.664 120.200 0.121 0.000 2.085 304 E HA -0.144 4.206 4.350 -0.001 0.000 0.194 304 E C 0.082 176.789 176.600 0.178 0.000 0.994 304 E CA 1.242 57.760 56.400 0.196 0.000 0.801 304 E CB 0.081 29.983 29.700 0.336 0.000 0.743 304 E HN 0.597 nan 8.360 nan 0.000 0.453 305 E N -0.533 119.697 120.200 0.051 0.000 2.293 305 E HA 0.316 4.666 4.350 -0.001 0.000 0.270 305 E C -1.634 174.993 176.600 0.045 0.000 0.879 305 E CA -0.682 55.762 56.400 0.073 0.000 0.756 305 E CB 1.923 31.642 29.700 0.032 0.000 1.208 305 E HN -0.011 nan 8.360 nan 0.000 0.428 306 Y N 2.097 122.440 120.300 0.071 0.000 2.328 306 Y HA 0.341 4.891 4.550 -0.001 0.000 0.333 306 Y C -1.553 174.480 175.900 0.222 0.000 0.958 306 Y CA -0.896 57.197 58.100 -0.011 0.000 1.167 306 Y CB 0.757 39.071 38.460 -0.244 0.000 1.151 306 Y HN 0.476 nan 8.280 nan 0.000 0.470 307 W N 7.251 128.437 121.300 -0.190 0.000 2.520 307 W HA 0.659 5.319 4.660 -0.001 0.000 0.323 307 W C -1.037 175.430 176.519 -0.087 0.000 1.062 307 W CA -1.595 55.696 57.345 -0.089 0.000 1.215 307 W CB 1.065 30.449 29.460 -0.126 0.000 1.340 307 W HN 0.326 nan 8.180 nan 0.000 0.516 308 I N 3.178 123.844 120.570 0.160 0.000 2.466 308 I HA 0.408 4.578 4.170 -0.001 0.000 0.289 308 I C -0.766 175.265 176.117 -0.144 0.000 1.026 308 I CA -1.151 60.167 61.300 0.030 0.000 1.078 308 I CB 1.754 39.805 38.000 0.085 0.000 1.249 308 I HN -0.136 nan 8.210 nan 0.000 0.429 309 V N 5.044 124.786 119.914 -0.287 0.000 2.444 309 V HA 0.615 4.735 4.120 -0.001 0.000 0.294 309 V C -0.701 175.199 176.094 -0.323 0.000 1.022 309 V CA -0.267 61.734 62.300 -0.498 0.000 0.850 309 V CB 1.866 33.062 31.823 -1.046 0.000 0.992 309 V HN 0.744 nan 8.190 nan 0.000 0.426 310 D N 2.290 122.553 120.400 -0.229 0.000 2.755 310 D HA 0.195 4.835 4.640 -0.001 0.000 0.277 310 D C -1.157 175.105 176.300 -0.063 0.000 1.261 310 D CA -0.324 53.599 54.000 -0.130 0.000 0.759 310 D CB 2.351 43.099 40.800 -0.086 0.000 1.279 310 D HN 0.588 nan 8.370 nan 0.000 0.420 311 D N 0.847 121.238 120.400 -0.014 0.000 2.491 311 D HA 0.206 4.845 4.640 -0.001 0.000 0.228 311 D C 0.747 177.149 176.300 0.169 0.000 1.183 311 D CA -0.122 53.921 54.000 0.071 0.000 0.827 311 D CB -0.419 40.401 40.800 0.033 0.000 0.989 311 D HN 0.477 nan 8.370 nan 0.000 0.494 312 I N -3.937 116.695 120.570 0.104 0.000 2.892 312 I HA 0.602 4.772 4.170 -0.001 0.000 0.306 312 I C -0.442 175.714 176.117 0.065 0.000 1.078 312 I CA -1.253 60.118 61.300 0.119 0.000 1.032 312 I CB 2.289 40.314 38.000 0.042 0.000 1.229 312 I HN -0.334 nan 8.210 nan 0.000 0.435 313 E N 1.837 122.070 120.200 0.055 0.000 2.322 313 E HA 0.619 4.968 4.350 -0.001 0.000 0.257 313 E C 0.197 176.793 176.600 -0.007 0.000 1.155 313 E CA -0.044 56.355 56.400 -0.001 0.000 0.936 313 E CB 0.878 30.567 29.700 -0.020 0.000 1.130 313 E HN 1.116 nan 8.360 nan 0.000 0.465 314 G N 0.497 109.287 108.800 -0.016 0.000 2.888 314 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.441 314 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.441 314 G C -0.695 174.203 174.900 -0.005 0.000 1.461 314 G CA -0.628 44.466 45.100 -0.010 0.000 0.897 314 G HN 0.460 nan 8.290 nan 0.000 0.547 315 R N -0.616 119.888 120.500 0.006 0.000 2.570 315 R HA 0.283 4.622 4.340 -0.001 0.000 0.277 315 R C 1.019 177.322 176.300 0.004 0.000 1.039 315 R CA 0.262 56.371 56.100 0.016 0.000 1.065 315 R CB 0.287 30.616 30.300 0.047 0.000 0.964 315 R HN 0.447 nan 8.270 nan 0.000 0.428 316 L N 0.781 122.000 121.223 -0.006 0.000 2.920 316 L HA 0.147 4.486 4.340 -0.001 0.000 0.257 316 L C 0.068 176.911 176.870 -0.045 0.000 1.150 316 L CA -0.068 54.762 54.840 -0.017 0.000 0.959 316 L CB 0.445 42.498 42.059 -0.009 0.000 1.321 316 L HN 0.542 nan 8.230 nan 0.000 0.555 317 D N 1.378 121.732 120.400 -0.076 0.000 2.412 317 D HA 0.202 4.841 4.640 -0.001 0.000 0.224 317 D C -1.716 174.398 176.300 -0.309 0.000 1.093 317 D CA -2.088 51.802 54.000 -0.182 0.000 0.850 317 D CB 1.767 42.439 40.800 -0.214 0.000 1.046 317 D HN -0.111 nan 8.370 nan 0.000 0.507 318 P HA 0.071 nan 4.420 nan 0.000 0.229 318 P C 0.752 177.621 177.300 -0.720 0.000 1.160 318 P CA 0.308 63.154 63.100 -0.422 0.000 0.777 318 P CB 0.336 31.919 31.700 -0.195 0.000 0.814 319 A N -0.570 121.887 122.820 -0.606 0.000 2.178 319 A HA -0.030 4.290 4.320 -0.001 0.000 0.211 319 A C 0.347 177.584 177.584 -0.578 0.000 1.157 319 A CA 0.061 51.767 52.037 -0.552 0.000 0.780 319 A CB -1.164 17.581 19.000 -0.424 0.000 0.828 319 A HN 0.284 nan 8.150 nan 0.000 0.476 320 H N -0.228 118.745 119.070 -0.163 0.000 2.750 320 H HA -0.168 4.387 4.556 -0.001 0.000 0.327 320 H C -0.673 174.580 175.328 -0.126 0.000 1.199 320 H CA 0.948 56.926 56.048 -0.115 0.000 1.149 320 H CB -2.382 27.325 29.762 -0.092 0.000 1.543 320 H HN 0.762 nan 8.280 nan 0.000 0.427 321 H N 0.396 119.401 119.070 -0.109 0.000 2.615 321 H HA 0.238 4.794 4.556 -0.001 0.000 0.363 321 H C 1.178 176.525 175.328 0.031 0.000 1.148 321 H CA -0.389 55.623 56.048 -0.059 0.000 1.401 321 H CB 0.739 30.436 29.762 -0.109 0.000 1.461 321 H HN 0.305 nan 8.280 nan 0.000 0.588 322 R N 1.609 122.224 120.500 0.192 0.000 2.484 322 R HA 0.275 4.615 4.340 -0.001 0.000 0.293 322 R C 0.188 176.610 176.300 0.204 0.000 1.023 322 R CA 1.002 57.200 56.100 0.163 0.000 1.037 322 R CB -0.306 30.079 30.300 0.142 0.000 0.951 322 R HN 0.952 nan 8.270 nan 0.000 0.418 323 G N 3.148 112.047 108.800 0.165 0.000 2.534 323 G HA2 0.049 4.008 3.960 -0.001 0.000 0.142 323 G HA3 0.049 4.008 3.960 -0.001 0.000 0.142 323 G C -1.352 173.580 174.900 0.053 0.000 1.178 323 G CA -0.816 44.385 45.100 0.168 0.000 1.037 323 G HN 0.536 nan 8.290 nan 0.000 0.474 324 R N -0.437 120.060 120.500 -0.005 0.000 2.807 324 R HA 0.772 5.112 4.340 -0.001 0.000 0.276 324 R C -0.898 175.353 176.300 -0.081 0.000 0.979 324 R CA -0.892 55.099 56.100 -0.182 0.000 0.928 324 R CB 2.205 32.121 30.300 -0.639 0.000 1.191 324 R HN 0.486 nan 8.270 nan 0.000 0.471 325 R N 2.840 123.283 120.500 -0.095 0.000 2.468 325 R HA 0.344 4.684 4.340 -0.001 0.000 0.302 325 R C -1.721 174.519 176.300 -0.099 0.000 1.041 325 R CA -0.293 55.768 56.100 -0.066 0.000 0.899 325 R CB 0.542 30.827 30.300 -0.026 0.000 1.167 325 R HN 0.483 nan 8.270 nan 0.000 0.483 326 L N 5.532 126.671 121.223 -0.139 0.000 2.282 326 L HA 0.552 4.892 4.340 -0.001 0.000 0.288 326 L C -0.383 176.416 176.870 -0.118 0.000 1.033 326 L CA -1.070 53.696 54.840 -0.123 0.000 0.807 326 L CB 1.407 43.385 42.059 -0.135 0.000 1.209 326 L HN 0.475 nan 8.230 nan 0.000 0.423 327 I N 3.469 124.010 120.570 -0.048 0.000 2.315 327 I HA 0.735 4.905 4.170 -0.001 0.000 0.291 327 I C 0.196 176.326 176.117 0.022 0.000 1.006 327 I CA 0.204 61.486 61.300 -0.030 0.000 1.265 327 I CB 1.519 39.490 38.000 -0.049 0.000 1.387 327 I HN 0.757 nan 8.210 nan 0.000 0.475 328 A N 5.175 128.016 122.820 0.034 0.000 2.586 328 A HA 0.288 4.607 4.320 -0.001 0.000 0.298 328 A C -0.923 176.693 177.584 0.054 0.000 1.013 328 A CA -0.909 51.179 52.037 0.085 0.000 0.707 328 A CB 0.666 19.776 19.000 0.184 0.000 1.276 328 A HN 0.618 nan 8.150 nan 0.000 0.414 329 N N 2.154 120.899 118.700 0.076 0.000 2.440 329 N HA 0.067 4.806 4.740 -0.001 0.000 0.265 329 N C 1.155 176.691 175.510 0.044 0.000 1.239 329 N CA 0.171 53.247 53.050 0.044 0.000 0.909 329 N CB 0.370 38.884 38.487 0.046 0.000 1.066 329 N HN 0.593 nan 8.380 nan 0.000 0.474 330 I N 3.760 124.320 120.570 -0.017 0.000 2.087 330 I HA -0.397 3.773 4.170 -0.001 0.000 0.240 330 I C 2.336 178.461 176.117 0.013 0.000 1.054 330 I CA 1.910 63.181 61.300 -0.049 0.000 1.311 330 I CB -0.454 37.480 38.000 -0.109 0.000 1.024 330 I HN 0.718 nan 8.210 nan 0.000 0.402 331 A N 0.504 123.324 122.820 0.000 0.000 1.884 331 A HA -0.321 3.999 4.320 -0.001 0.000 0.219 331 A C 1.949 179.557 177.584 0.041 0.000 1.197 331 A CA 2.542 54.584 52.037 0.007 0.000 0.637 331 A CB -0.869 18.135 19.000 0.005 0.000 0.827 331 A HN 0.437 nan 8.150 nan 0.000 0.450 332 D N -1.786 118.653 120.400 0.065 0.000 2.104 332 D HA -0.187 4.452 4.640 -0.001 0.000 0.194 332 D C 1.576 177.941 176.300 0.108 0.000 0.994 332 D CA 1.319 55.363 54.000 0.073 0.000 0.830 332 D CB -0.501 40.345 40.800 0.077 0.000 0.959 332 D HN 0.743 nan 8.370 nan 0.000 0.452 333 W N 1.550 122.826 121.300 -0.040 0.000 2.335 333 W HA -0.134 4.525 4.660 -0.001 0.000 0.311 333 W C 2.164 178.659 176.519 -0.040 0.000 1.213 333 W CA 1.178 58.523 57.345 0.001 0.000 1.274 333 W CB -0.337 29.089 29.460 -0.056 0.000 1.148 333 W HN -0.081 nan 8.180 nan 0.000 0.498 334 L N 0.247 121.560 121.223 0.151 0.000 2.089 334 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 334 L C 2.285 179.141 176.870 -0.023 0.000 1.079 334 L CA 1.786 56.555 54.840 -0.118 0.000 0.758 334 L CB -1.028 40.885 42.059 -0.243 0.000 0.891 334 L HN 0.120 nan 8.230 nan 0.000 0.433 335 E N -0.333 119.862 120.200 -0.009 0.000 2.208 335 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 335 E C 2.090 178.649 176.600 -0.069 0.000 0.988 335 E CA 0.693 57.093 56.400 0.002 0.000 0.828 335 E CB 0.037 29.741 29.700 0.007 0.000 0.763 335 E HN 0.308 nan 8.360 nan 0.000 0.478 336 L N 0.090 121.187 121.223 -0.209 0.000 2.270 336 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 336 L C 0.350 176.792 176.870 -0.714 0.000 1.104 336 L CA 1.470 56.039 54.840 -0.452 0.000 0.804 336 L CB 0.100 41.816 42.059 -0.572 0.000 0.937 336 L HN 0.028 nan 8.230 nan 0.000 0.450 337 H N -0.785 118.017 119.070 -0.446 0.000 2.471 337 H HA 0.323 4.879 4.556 -0.001 0.000 0.234 337 H C -2.374 173.074 175.328 0.200 0.000 1.388 337 H CA -2.194 53.543 56.048 -0.517 0.000 1.198 337 H CB -0.346 28.329 29.762 -1.812 0.000 1.714 337 H HN 0.117 nan 8.280 nan 0.000 0.536 338 P HA 0.073 nan 4.420 nan 0.000 0.271 338 P C 0.216 177.776 177.300 0.434 0.000 1.233 338 P CA -0.278 63.138 63.100 0.527 0.000 0.789 338 P CB 0.934 32.800 31.700 0.276 0.000 0.951 339 A N 0.933 123.803 122.820 0.082 0.000 2.407 339 A HA 0.133 4.453 4.320 -0.001 0.000 0.248 339 A C 0.353 177.791 177.584 -0.243 0.000 1.082 339 A CA -0.097 51.741 52.037 -0.331 0.000 0.785 339 A CB -0.316 18.390 19.000 -0.489 0.000 1.020 339 A HN 0.585 nan 8.150 nan 0.000 0.489 340 E N 1.165 121.148 120.200 -0.363 0.000 2.114 340 E HA 0.233 4.583 4.350 -0.001 0.000 0.266 340 E C -0.757 175.678 176.600 -0.275 0.000 0.896 340 E CA -0.797 55.412 56.400 -0.319 0.000 0.750 340 E CB 0.868 30.321 29.700 -0.412 0.000 1.121 340 E HN 0.517 nan 8.360 nan 0.000 0.413 341 K N 4.615 124.898 120.400 -0.195 0.000 2.366 341 K HA -0.020 4.299 4.320 -0.001 0.000 0.279 341 K C -0.602 175.915 176.600 -0.138 0.000 1.098 341 K CA 0.538 56.731 56.287 -0.157 0.000 1.087 341 K CB 0.213 32.650 32.500 -0.106 0.000 0.901 341 K HN 0.361 nan 8.250 nan 0.000 0.463 342 R N 3.150 123.568 120.500 -0.137 0.000 2.892 342 R HA 0.229 4.569 4.340 -0.001 0.000 0.265 342 R C -0.718 175.563 176.300 -0.032 0.000 1.025 342 R CA -1.297 54.754 56.100 -0.082 0.000 0.982 342 R CB 1.173 31.428 30.300 -0.076 0.000 1.185 342 R HN 0.707 nan 8.270 nan 0.000 0.484 343 Q N 0.969 120.770 119.800 0.003 0.000 2.259 343 Q HA 0.381 4.720 4.340 -0.001 0.000 0.249 343 Q C -2.333 173.713 176.000 0.076 0.000 0.914 343 Q CA -1.801 54.013 55.803 0.018 0.000 0.904 343 Q CB 0.696 29.438 28.738 0.006 0.000 1.213 343 Q HN 0.191 nan 8.270 nan 0.000 0.428 344 P HA -0.100 nan 4.420 nan 0.000 0.265 344 P C -0.237 177.115 177.300 0.087 0.000 1.193 344 P CA -0.179 62.945 63.100 0.040 0.000 0.765 344 P CB 0.215 31.882 31.700 -0.055 0.000 0.823 345 W N 2.068 123.372 121.300 0.006 0.000 2.683 345 W HA 0.125 4.785 4.660 -0.001 0.000 0.267 345 W C -0.602 175.887 176.519 -0.051 0.000 1.243 345 W CA -0.034 57.296 57.345 -0.025 0.000 1.380 345 W CB -1.151 28.290 29.460 -0.032 0.000 1.063 345 W HN 0.047 nan 8.180 nan 0.000 0.599 346 C N 3.147 122.006 119.300 -0.735 0.000 2.653 346 C HA 0.179 4.639 4.460 -0.001 0.000 0.421 346 C C 1.960 176.772 174.990 -0.297 0.000 1.334 346 C CA -0.074 58.587 59.018 -0.594 0.000 1.885 346 C CB 1.052 28.299 27.740 -0.823 0.000 2.645 346 C HN 0.237 nan 8.230 nan 0.000 0.601 347 V N 2.017 121.813 119.914 -0.196 0.000 3.359 347 V HA 0.006 4.125 4.120 -0.001 0.000 0.245 347 V C 2.044 178.037 176.094 -0.168 0.000 1.247 347 V CA 0.846 63.056 62.300 -0.149 0.000 1.145 347 V CB -0.592 31.182 31.823 -0.081 0.000 0.906 347 V HN 0.945 nan 8.190 nan 0.000 0.464 348 E N 0.788 120.881 120.200 -0.179 0.000 2.276 348 E HA 0.033 4.383 4.350 -0.001 0.000 0.193 348 E C 2.034 178.472 176.600 -0.271 0.000 0.983 348 E CA 0.636 56.929 56.400 -0.179 0.000 0.861 348 E CB -0.078 29.550 29.700 -0.121 0.000 0.817 348 E HN 0.522 nan 8.360 nan 0.000 0.485 349 I N 1.849 122.194 120.570 -0.376 0.000 2.361 349 I HA -0.147 4.023 4.170 -0.001 0.000 0.251 349 I C -0.571 175.168 176.117 -0.629 0.000 1.133 349 I CA 0.892 61.825 61.300 -0.612 0.000 1.413 349 I CB -0.920 36.608 38.000 -0.787 0.000 1.073 349 I HN 0.105 nan 8.210 nan 0.000 0.424 350 P HA -0.108 nan 4.420 nan 0.000 0.218 350 P C 1.500 178.632 177.300 -0.280 0.000 1.149 350 P CA 1.321 64.212 63.100 -0.348 0.000 0.817 350 P CB 0.042 31.592 31.700 -0.251 0.000 0.785 351 R N -0.901 119.456 120.500 -0.239 0.000 2.066 351 R HA 0.007 4.346 4.340 -0.001 0.000 0.232 351 R C 2.331 178.522 176.300 -0.182 0.000 1.131 351 R CA 0.999 56.995 56.100 -0.174 0.000 0.955 351 R CB -1.118 29.102 30.300 -0.132 0.000 0.851 351 R HN 0.150 nan 8.270 nan 0.000 0.432 352 L N 0.045 121.125 121.223 -0.239 0.000 2.043 352 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 352 L C 2.464 179.205 176.870 -0.216 0.000 1.075 352 L CA 1.615 56.328 54.840 -0.211 0.000 0.752 352 L CB -0.651 41.262 42.059 -0.243 0.000 0.891 352 L HN 0.340 nan 8.230 nan 0.000 0.432 353 A N -0.622 121.946 122.820 -0.420 0.000 1.855 353 A HA -0.244 4.076 4.320 -0.001 0.000 0.215 353 A C 2.242 179.784 177.584 -0.071 0.000 1.191 353 A CA 1.622 53.502 52.037 -0.261 0.000 0.613 353 A CB -0.550 18.214 19.000 -0.392 0.000 0.829 353 A HN 0.420 nan 8.150 nan 0.000 0.442 354 E N -0.403 119.730 120.200 -0.113 0.000 2.118 354 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 354 E C 2.200 178.775 176.600 -0.041 0.000 0.992 354 E CA 1.552 57.913 56.400 -0.066 0.000 0.804 354 E CB -0.126 29.525 29.700 -0.081 0.000 0.741 354 E HN 0.760 nan 8.360 nan 0.000 0.458 355 Q N -0.311 119.461 119.800 -0.048 0.000 2.124 355 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 355 Q C 2.068 178.062 176.000 -0.011 0.000 0.977 355 Q CA 1.351 57.136 55.803 -0.029 0.000 0.850 355 Q CB -0.092 28.628 28.738 -0.030 0.000 0.901 355 Q HN 0.282 nan 8.270 nan 0.000 0.429 356 A N 0.719 123.546 122.820 0.011 0.000 1.845 356 A HA -0.234 4.086 4.320 -0.001 0.000 0.215 356 A C 2.037 179.621 177.584 0.001 0.000 1.195 356 A CA 1.664 53.718 52.037 0.028 0.000 0.616 356 A CB -0.609 18.450 19.000 0.098 0.000 0.832 356 A HN 0.382 nan 8.150 nan 0.000 0.443 357 M N 0.072 119.681 119.600 0.015 0.000 2.195 357 M HA -0.234 4.245 4.480 -0.001 0.000 0.260 357 M C 1.997 178.281 176.300 -0.026 0.000 1.066 357 M CA 1.899 57.201 55.300 0.003 0.000 1.089 357 M CB -0.817 31.803 32.600 0.032 0.000 1.377 357 M HN 0.562 nan 8.290 nan 0.000 0.411 358 Q N -0.799 118.987 119.800 -0.023 0.000 2.016 358 Q HA -0.083 4.256 4.340 -0.001 0.000 0.200 358 Q C 2.179 178.152 176.000 -0.045 0.000 0.978 358 Q CA 1.800 57.586 55.803 -0.029 0.000 0.833 358 Q CB -0.483 28.241 28.738 -0.023 0.000 0.895 358 Q HN 0.694 nan 8.270 nan 0.000 0.427 359 A N 0.352 123.148 122.820 -0.041 0.000 1.958 359 A HA -0.213 4.107 4.320 -0.001 0.000 0.221 359 A C 2.277 179.808 177.584 -0.087 0.000 1.178 359 A CA 1.883 53.892 52.037 -0.047 0.000 0.642 359 A CB -0.809 18.172 19.000 -0.033 0.000 0.816 359 A HN 0.252 nan 8.150 nan 0.000 0.453 360 V N 0.533 120.364 119.914 -0.139 0.000 2.488 360 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 360 V C 2.426 178.290 176.094 -0.383 0.000 1.046 360 V CA 1.597 63.727 62.300 -0.283 0.000 1.053 360 V CB -0.877 30.721 31.823 -0.374 0.000 0.679 360 V HN 0.777 nan 8.190 nan 0.000 0.458 361 I N -0.013 120.420 120.570 -0.229 0.000 2.614 361 I HA -0.021 4.149 4.170 -0.001 0.000 0.258 361 I C 2.232 178.310 176.117 -0.066 0.000 1.189 361 I CA 1.663 62.906 61.300 -0.094 0.000 1.462 361 I CB -0.585 37.427 38.000 0.020 0.000 1.092 361 I HN 0.096 nan 8.210 nan 0.000 0.442 362 A N 1.238 124.017 122.820 -0.069 0.000 2.168 362 A HA 0.080 4.400 4.320 -0.001 0.000 0.215 362 A C 2.076 179.644 177.584 -0.027 0.000 1.152 362 A CA 0.611 52.627 52.037 -0.036 0.000 0.716 362 A CB -0.318 18.665 19.000 -0.028 0.000 0.794 362 A HN 0.414 nan 8.150 nan 0.000 0.465 363 R N -0.516 119.952 120.500 -0.053 0.000 2.432 363 R HA 0.059 4.399 4.340 -0.001 0.000 0.260 363 R C 1.230 177.531 176.300 0.002 0.000 0.935 363 R CA 0.561 56.648 56.100 -0.022 0.000 1.080 363 R CB -0.054 30.223 30.300 -0.038 0.000 1.155 363 R HN 0.715 nan 8.270 nan 0.000 0.531 364 R N 0.178 120.667 120.500 -0.018 0.000 2.339 364 R HA 0.046 4.385 4.340 -0.001 0.000 0.199 364 R C 0.743 177.064 176.300 0.035 0.000 1.018 364 R CA 1.040 57.148 56.100 0.014 0.000 1.036 364 R CB -0.127 30.200 30.300 0.046 0.000 0.899 364 R HN -0.032 nan 8.270 nan 0.000 0.473 365 D N 1.598 122.061 120.400 0.105 0.000 2.197 365 D HA 0.076 4.715 4.640 -0.001 0.000 0.212 365 D C 0.622 177.201 176.300 0.466 0.000 0.963 365 D CA 1.030 55.153 54.000 0.204 0.000 0.864 365 D CB -0.352 40.539 40.800 0.151 0.000 1.009 365 D HN 0.345 nan 8.370 nan 0.000 0.479 366 A N 0.914 123.940 122.820 0.343 0.000 2.609 366 A HA -0.116 4.203 4.320 -0.001 0.000 0.232 366 A C -0.143 177.740 177.584 0.498 0.000 1.041 366 A CA 0.101 52.343 52.037 0.343 0.000 0.753 366 A CB -0.387 18.736 19.000 0.204 0.000 0.966 366 A HN 0.181 nan 8.150 nan 0.000 0.510 367 F N 3.130 123.144 119.950 0.107 0.000 2.626 367 F HA 0.484 5.011 4.527 -0.001 0.000 0.353 367 F C 0.892 176.612 175.800 -0.133 0.000 1.230 367 F CA 0.627 58.468 58.000 -0.265 0.000 1.298 367 F CB -0.351 38.309 39.000 -0.567 0.000 1.670 367 F HN 0.652 nan 8.300 nan 0.000 0.633 368 G N 2.302 111.039 108.800 -0.103 0.000 2.798 368 G HA2 0.284 4.243 3.960 -0.001 0.000 0.286 368 G HA3 0.284 4.243 3.960 -0.001 0.000 0.286 368 G C 0.026 174.920 174.900 -0.010 0.000 1.389 368 G CA -0.521 44.550 45.100 -0.049 0.000 0.894 368 G HN 0.413 nan 8.290 nan 0.000 0.488 369 E N -0.517 119.684 120.200 0.003 0.000 2.170 369 E HA 0.135 4.484 4.350 -0.001 0.000 0.191 369 E C 2.297 178.932 176.600 0.058 0.000 0.981 369 E CA 0.890 57.300 56.400 0.018 0.000 0.830 369 E CB 0.005 29.709 29.700 0.006 0.000 0.775 369 E HN 0.409 nan 8.360 nan 0.000 0.470 370 A N 1.574 124.429 122.820 0.058 0.000 1.873 370 A HA -0.318 4.002 4.320 -0.001 0.000 0.218 370 A C 2.181 179.828 177.584 0.105 0.000 1.193 370 A CA 2.161 54.235 52.037 0.062 0.000 0.629 370 A CB -0.579 18.449 19.000 0.046 0.000 0.826 370 A HN 0.201 nan 8.150 nan 0.000 0.447 371 Q N -1.094 118.802 119.800 0.160 0.000 2.083 371 Q HA 0.001 4.341 4.340 -0.001 0.000 0.198 371 Q C 2.048 178.163 176.000 0.191 0.000 0.969 371 Q CA 1.218 57.144 55.803 0.206 0.000 0.838 371 Q CB -0.509 28.426 28.738 0.328 0.000 0.900 371 Q HN 0.590 nan 8.270 nan 0.000 0.436 372 L N 0.595 122.002 121.223 0.307 0.000 1.989 372 L HA -0.204 4.136 4.340 -0.001 0.000 0.211 372 L C 2.039 179.001 176.870 0.153 0.000 1.071 372 L CA 2.274 57.291 54.840 0.294 0.000 0.749 372 L CB -1.136 41.087 42.059 0.273 0.000 0.890 372 L HN 0.210 nan 8.230 nan 0.000 0.431 373 A N -1.014 121.875 122.820 0.115 0.000 1.915 373 A HA -0.393 3.926 4.320 -0.001 0.000 0.220 373 A C 2.343 179.956 177.584 0.048 0.000 1.198 373 A CA 2.380 54.459 52.037 0.069 0.000 0.647 373 A CB -1.318 17.716 19.000 0.056 0.000 0.825 373 A HN 0.823 nan 8.150 nan 0.000 0.456 374 H N -1.324 117.726 119.070 -0.033 0.000 2.529 374 H HA 0.160 4.716 4.556 -0.001 0.000 0.277 374 H C 1.906 177.151 175.328 -0.140 0.000 0.999 374 H CA 1.165 57.167 56.048 -0.078 0.000 1.256 374 H CB 0.001 29.722 29.762 -0.068 0.000 1.402 374 H HN 0.409 nan 8.280 nan 0.000 0.566 375 R N -0.627 119.703 120.500 -0.283 0.000 2.280 375 R HA 0.087 4.427 4.340 -0.001 0.000 0.195 375 R C 1.689 177.698 176.300 -0.484 0.000 0.935 375 R CA 0.357 56.169 56.100 -0.480 0.000 1.033 375 R CB -0.035 29.976 30.300 -0.482 0.000 0.964 375 R HN 0.252 nan 8.270 nan 0.000 0.489 376 I N 1.113 121.534 120.570 -0.248 0.000 2.236 376 I HA -0.384 3.786 4.170 -0.001 0.000 0.249 376 I C 1.701 177.648 176.117 -0.284 0.000 1.102 376 I CA 1.280 62.493 61.300 -0.145 0.000 1.365 376 I CB -0.265 37.719 38.000 -0.027 0.000 1.051 376 I HN 0.339 nan 8.210 nan 0.000 0.420 377 C N -0.798 118.292 119.300 -0.350 0.000 2.472 377 C HA 0.034 4.494 4.460 -0.001 0.000 0.278 377 C C 2.091 176.828 174.990 -0.422 0.000 1.447 377 C CA -0.121 58.670 59.018 -0.379 0.000 1.773 377 C CB -1.584 25.949 27.740 -0.345 0.000 1.793 377 C HN 0.426 nan 8.230 nan 0.000 0.544 378 D N 0.929 120.995 120.400 -0.558 0.000 2.219 378 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 378 D C 1.376 177.371 176.300 -0.507 0.000 0.970 378 D CA 1.498 55.137 54.000 -0.602 0.000 0.851 378 D CB -0.301 40.014 40.800 -0.809 0.000 0.943 378 D HN 0.625 nan 8.370 nan 0.000 0.488 379 Y N 0.279 120.406 120.300 -0.288 0.000 2.449 379 Y HA 0.274 4.823 4.550 -0.001 0.000 0.254 379 Y C 1.010 176.690 175.900 -0.366 0.000 1.140 379 Y CA -0.588 57.231 58.100 -0.468 0.000 1.272 379 Y CB -0.354 37.592 38.460 -0.857 0.000 1.114 379 Y HN -0.169 nan 8.280 nan 0.000 0.525 380 L N 4.567 125.655 121.223 -0.226 0.000 2.540 380 L HA 0.071 4.410 4.340 -0.001 0.000 0.276 380 L C -1.941 174.730 176.870 -0.333 0.000 1.212 380 L CA -1.608 53.078 54.840 -0.257 0.000 0.893 380 L CB 0.047 41.758 42.059 -0.580 0.000 1.138 380 L HN -0.068 nan 8.230 nan 0.000 0.491 381 P HA 0.006 nan 4.420 nan 0.000 0.271 381 P C -0.536 176.593 177.300 -0.285 0.000 1.216 381 P CA -0.263 62.349 63.100 -0.814 0.000 0.771 381 P CB 0.613 31.652 31.700 -1.102 0.000 0.864 382 E N 2.950 122.972 120.200 -0.297 0.000 2.366 382 E HA -0.068 4.281 4.350 -0.001 0.000 0.266 382 E C -0.009 176.536 176.600 -0.092 0.000 1.015 382 E CA 0.014 56.344 56.400 -0.117 0.000 0.906 382 E CB 0.001 29.634 29.700 -0.113 0.000 0.979 382 E HN 0.265 nan 8.360 nan 0.000 0.443 383 Q N 0.673 120.451 119.800 -0.038 0.000 2.506 383 Q HA -0.155 4.184 4.340 -0.001 0.000 0.268 383 Q C -0.061 175.859 176.000 -0.133 0.000 1.002 383 Q CA 1.133 56.887 55.803 -0.082 0.000 1.052 383 Q CB -2.107 26.596 28.738 -0.059 0.000 1.383 383 Q HN 0.735 nan 8.270 nan 0.000 0.537 384 G N 0.132 108.839 108.800 -0.155 0.000 2.606 384 G HA2 0.641 4.600 3.960 -0.001 0.000 0.262 384 G HA3 0.641 4.600 3.960 -0.001 0.000 0.262 384 G C -0.065 174.633 174.900 -0.337 0.000 1.394 384 G CA -0.093 44.922 45.100 -0.142 0.000 1.044 384 G HN 0.162 nan 8.290 nan 0.000 0.553 385 Q N -1.594 118.150 119.800 -0.093 0.000 2.456 385 Q HA 0.642 4.982 4.340 -0.001 0.000 0.284 385 Q C -1.978 174.160 176.000 0.229 0.000 1.061 385 Q CA -0.977 54.798 55.803 -0.047 0.000 0.799 385 Q CB 2.457 31.309 28.738 0.190 0.000 1.445 385 Q HN 0.419 nan 8.270 nan 0.000 0.411 386 L N 1.672 123.056 121.223 0.269 0.000 2.313 386 L HA 0.568 4.908 4.340 -0.001 0.000 0.283 386 L C -1.675 175.366 176.870 0.286 0.000 1.013 386 L CA -0.549 54.462 54.840 0.285 0.000 0.816 386 L CB 1.342 43.540 42.059 0.231 0.000 1.236 386 L HN 0.681 nan 8.230 nan 0.000 0.419 387 F N 5.602 125.660 119.950 0.181 0.000 2.404 387 F HA 0.647 5.173 4.527 -0.001 0.000 0.354 387 F C -0.803 175.058 175.800 0.101 0.000 1.122 387 F CA -0.455 57.636 58.000 0.150 0.000 1.080 387 F CB 1.333 40.407 39.000 0.124 0.000 1.131 387 F HN 0.202 nan 8.300 nan 0.000 0.471 388 V N 6.728 126.272 119.914 -0.616 0.000 2.409 388 V HA 0.520 4.640 4.120 -0.001 0.000 0.291 388 V C 0.685 176.468 176.094 -0.519 0.000 1.020 388 V CA -0.438 61.641 62.300 -0.368 0.000 0.848 388 V CB 1.139 32.830 31.823 -0.219 0.000 0.990 388 V HN 0.973 nan 8.190 nan 0.000 0.430 389 G N 4.353 113.039 108.800 -0.191 0.000 2.529 389 G HA2 0.131 4.091 3.960 -0.001 0.000 0.277 389 G HA3 0.131 4.091 3.960 -0.001 0.000 0.277 389 G C 0.200 175.030 174.900 -0.116 0.000 1.383 389 G CA -0.334 44.712 45.100 -0.089 0.000 1.050 389 G HN 0.630 nan 8.290 nan 0.000 0.526 390 N N -1.551 117.112 118.700 -0.062 0.000 2.645 390 N HA 0.377 5.117 4.740 -0.001 0.000 0.308 390 N C 0.968 176.442 175.510 -0.060 0.000 1.335 390 N CA 0.216 53.227 53.050 -0.065 0.000 0.909 390 N CB 0.828 39.285 38.487 -0.050 0.000 1.109 390 N HN 0.651 nan 8.380 nan 0.000 0.555 391 S N -0.819 114.839 115.700 -0.070 0.000 4.064 391 S HA -0.233 4.237 4.470 -0.001 0.000 0.625 391 S C 1.339 175.888 174.600 -0.085 0.000 2.010 391 S CA 1.061 59.204 58.200 -0.095 0.000 4.186 391 S CB -1.393 61.751 63.200 -0.093 0.000 0.211 391 S HN 0.464 nan 8.310 nan 0.000 0.605 392 L N 0.902 122.080 121.223 -0.075 0.000 2.068 392 L HA 0.021 4.361 4.340 -0.001 0.000 0.204 392 L C 2.601 179.446 176.870 -0.042 0.000 1.076 392 L CA 1.629 56.434 54.840 -0.059 0.000 0.753 392 L CB -0.514 41.517 42.059 -0.047 0.000 0.910 392 L HN 0.578 nan 8.230 nan 0.000 0.439 393 V N -0.493 119.401 119.914 -0.034 0.000 2.324 393 V HA -0.294 3.825 4.120 -0.001 0.000 0.250 393 V C 2.392 178.466 176.094 -0.033 0.000 1.060 393 V CA 2.202 64.489 62.300 -0.022 0.000 1.042 393 V CB 0.047 31.861 31.823 -0.014 0.000 0.650 393 V HN 0.311 nan 8.190 nan 0.000 0.450 394 V N -0.101 119.782 119.914 -0.053 0.000 2.548 394 V HA -0.176 3.944 4.120 -0.001 0.000 0.249 394 V C 2.619 178.680 176.094 -0.055 0.000 1.055 394 V CA 2.348 64.609 62.300 -0.065 0.000 1.065 394 V CB -0.530 31.241 31.823 -0.087 0.000 0.681 394 V HN 0.604 nan 8.190 nan 0.000 0.462 395 R N -0.522 119.947 120.500 -0.052 0.000 2.057 395 R HA -0.011 4.329 4.340 -0.001 0.000 0.229 395 R C 2.305 178.581 176.300 -0.041 0.000 1.136 395 R CA 1.741 57.811 56.100 -0.050 0.000 0.952 395 R CB -0.476 29.793 30.300 -0.052 0.000 0.848 395 R HN 0.411 nan 8.270 nan 0.000 0.430 396 L N 0.570 121.775 121.223 -0.030 0.000 2.013 396 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 396 L C 2.438 179.306 176.870 -0.005 0.000 1.073 396 L CA 1.524 56.356 54.840 -0.013 0.000 0.753 396 L CB -0.460 41.599 42.059 -0.000 0.000 0.890 396 L HN 0.220 nan 8.230 nan 0.000 0.432 397 I N -0.229 120.334 120.570 -0.011 0.000 2.252 397 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 397 I C 2.239 178.341 176.117 -0.024 0.000 1.102 397 I CA 1.543 62.835 61.300 -0.013 0.000 1.385 397 I CB -0.300 37.685 38.000 -0.024 0.000 1.064 397 I HN 0.316 nan 8.210 nan 0.000 0.414 398 D N 1.028 121.405 120.400 -0.038 0.000 2.116 398 D HA -0.225 4.415 4.640 -0.001 0.000 0.193 398 D C 2.052 178.322 176.300 -0.051 0.000 0.998 398 D CA 1.789 55.760 54.000 -0.049 0.000 0.836 398 D CB 0.083 40.848 40.800 -0.058 0.000 0.951 398 D HN 0.320 nan 8.370 nan 0.000 0.449 399 A N -0.882 121.909 122.820 -0.048 0.000 2.081 399 A HA 0.198 4.518 4.320 -0.001 0.000 0.214 399 A C 2.062 179.629 177.584 -0.028 0.000 1.158 399 A CA 0.409 52.411 52.037 -0.059 0.000 0.724 399 A CB -0.082 18.879 19.000 -0.066 0.000 0.826 399 A HN 0.364 nan 8.150 nan 0.000 0.463 400 L N -1.576 119.649 121.223 0.003 0.000 2.672 400 L HA 0.216 4.556 4.340 -0.001 0.000 0.236 400 L C 0.976 177.939 176.870 0.156 0.000 1.092 400 L CA 0.150 55.016 54.840 0.043 0.000 0.887 400 L CB 0.572 42.653 42.059 0.037 0.000 1.168 400 L HN 0.301 nan 8.230 nan 0.000 0.502 401 S N -0.222 115.523 115.700 0.075 0.000 2.664 401 S HA 0.384 4.854 4.470 -0.001 0.000 0.304 401 S C -0.739 173.857 174.600 -0.007 0.000 1.099 401 S CA -0.434 57.783 58.200 0.029 0.000 1.003 401 S CB 1.820 64.991 63.200 -0.049 0.000 1.092 401 S HN 0.171 nan 8.310 nan 0.000 0.525 402 Q N 3.255 123.025 119.800 -0.049 0.000 2.401 402 Q HA 0.442 4.781 4.340 -0.001 0.000 0.260 402 Q C -1.445 174.501 176.000 -0.091 0.000 1.034 402 Q CA -0.450 55.323 55.803 -0.049 0.000 0.737 402 Q CB 0.696 29.413 28.738 -0.036 0.000 1.227 402 Q HN 0.681 nan 8.270 nan 0.000 0.488 403 L N 5.556 126.729 121.223 -0.082 0.000 2.371 403 L HA 0.473 4.813 4.340 -0.001 0.000 0.272 403 L C -1.908 174.910 176.870 -0.087 0.000 1.124 403 L CA -1.962 52.813 54.840 -0.109 0.000 0.816 403 L CB 0.712 42.722 42.059 -0.082 0.000 1.129 403 L HN 0.527 nan 8.230 nan 0.000 0.448 404 P HA 0.080 nan 4.420 nan 0.000 0.271 404 P C -0.695 176.603 177.300 -0.003 0.000 1.218 404 P CA -0.459 62.600 63.100 -0.069 0.000 0.780 404 P CB 0.709 32.348 31.700 -0.102 0.000 0.901 405 A N 2.347 125.166 122.820 -0.002 0.000 2.546 405 A HA 0.399 4.718 4.320 -0.001 0.000 0.243 405 A C 1.556 179.158 177.584 0.030 0.000 1.063 405 A CA 0.734 52.778 52.037 0.011 0.000 0.757 405 A CB -1.474 17.530 19.000 0.006 0.000 0.991 405 A HN 0.921 nan 8.150 nan 0.000 0.503 406 G N 0.496 109.308 108.800 0.020 0.000 2.184 406 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.264 406 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.264 406 G C 0.104 175.011 174.900 0.010 0.000 0.975 406 G CA 0.738 45.841 45.100 0.005 0.000 0.642 406 G HN 1.292 nan 8.290 nan 0.000 0.536 407 Y N 2.220 122.474 120.300 -0.077 0.000 2.359 407 Y HA 0.516 5.066 4.550 -0.001 0.000 0.334 407 Y C -1.941 173.885 175.900 -0.123 0.000 1.058 407 Y CA -2.107 55.939 58.100 -0.089 0.000 1.244 407 Y CB 1.303 39.709 38.460 -0.089 0.000 1.187 407 Y HN 0.023 nan 8.280 nan 0.000 0.510 408 P HA 0.065 nan 4.420 nan 0.000 0.267 408 P C -1.261 175.830 177.300 -0.348 0.000 1.209 408 P CA 0.225 63.089 63.100 -0.395 0.000 0.763 408 P CB 0.774 32.226 31.700 -0.413 0.000 0.816 409 V N 5.751 125.397 119.914 -0.447 0.000 2.487 409 V HA 0.378 4.497 4.120 -0.001 0.000 0.298 409 V C -0.744 175.047 176.094 -0.505 0.000 1.028 409 V CA -0.413 61.692 62.300 -0.326 0.000 0.860 409 V CB 0.994 32.726 31.823 -0.152 0.000 0.991 409 V HN 0.377 nan 8.190 nan 0.000 0.427 410 Y N 2.588 122.894 120.300 0.010 0.000 2.446 410 Y HA 0.773 5.323 4.550 -0.001 0.000 0.345 410 Y C 0.515 176.303 175.900 -0.188 0.000 0.984 410 Y CA -0.557 57.567 58.100 0.040 0.000 1.058 410 Y CB 2.425 41.023 38.460 0.230 0.000 1.220 410 Y HN 0.744 nan 8.280 nan 0.000 0.455 411 S N 0.560 116.251 115.700 -0.015 0.000 2.776 411 S HA 0.559 5.029 4.470 -0.001 0.000 0.292 411 S C -1.447 173.156 174.600 0.005 0.000 1.187 411 S CA -1.138 56.868 58.200 -0.324 0.000 0.834 411 S CB 1.708 64.749 63.200 -0.266 0.000 1.199 411 S HN 0.466 nan 8.310 nan 0.000 0.514 412 N N 0.764 119.455 118.700 -0.015 0.000 2.844 412 N HA 0.378 5.118 4.740 -0.001 0.000 0.268 412 N C -0.361 175.155 175.510 0.010 0.000 1.574 412 N CA -0.420 52.675 53.050 0.074 0.000 0.838 412 N CB 0.808 39.388 38.487 0.154 0.000 1.177 412 N HN 0.366 nan 8.380 nan 0.000 0.495 413 R N -0.209 120.285 120.500 -0.011 0.000 2.359 413 R HA 0.225 4.565 4.340 -0.001 0.000 0.231 413 R C 1.605 177.900 176.300 -0.008 0.000 0.913 413 R CA -0.137 55.950 56.100 -0.023 0.000 1.075 413 R CB -0.114 30.162 30.300 -0.041 0.000 1.087 413 R HN 0.389 nan 8.270 nan 0.000 0.515 414 G N 0.785 109.588 108.800 0.004 0.000 2.524 414 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.215 414 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.215 414 G C 1.200 176.104 174.900 0.006 0.000 1.239 414 G CA 0.976 46.079 45.100 0.005 0.000 0.798 414 G HN 0.379 nan 8.290 nan 0.000 0.557 415 A N -1.550 121.276 122.820 0.011 0.000 2.197 415 A HA 0.503 4.823 4.320 -0.001 0.000 0.210 415 A C 1.389 178.977 177.584 0.006 0.000 1.180 415 A CA 1.269 53.313 52.037 0.011 0.000 0.846 415 A CB 0.211 19.219 19.000 0.013 0.000 0.884 415 A HN 0.895 nan 8.150 nan 0.000 0.487 416 S N -0.667 115.036 115.700 0.005 0.000 3.858 416 S HA -0.113 4.357 4.470 -0.001 0.000 0.356 416 S C 0.687 175.280 174.600 -0.012 0.000 1.013 416 S CA 0.216 58.413 58.200 -0.006 0.000 1.083 416 S CB -1.936 61.255 63.200 -0.014 0.000 0.883 416 S HN 1.469 nan 8.310 nan 0.000 0.475 417 G N 0.608 109.402 108.800 -0.011 0.000 2.491 417 G HA2 0.445 4.405 3.960 -0.001 0.000 0.242 417 G HA3 0.445 4.405 3.960 -0.001 0.000 0.242 417 G C 0.790 175.623 174.900 -0.111 0.000 1.266 417 G CA -0.250 44.813 45.100 -0.061 0.000 0.844 417 G HN 0.924 nan 8.290 nan 0.000 0.571 418 I N -0.822 119.631 120.570 -0.194 0.000 3.891 418 I HA 0.258 4.427 4.170 -0.001 0.000 0.331 418 I C 0.798 176.620 176.117 -0.492 0.000 1.406 418 I CA -0.245 60.933 61.300 -0.204 0.000 1.139 418 I CB 0.606 38.567 38.000 -0.064 0.000 1.056 418 I HN 0.352 nan 8.210 nan 0.000 0.399 419 D N 0.963 120.949 120.400 -0.691 0.000 2.366 419 D HA 0.072 4.712 4.640 -0.001 0.000 0.205 419 D C 1.602 177.512 176.300 -0.649 0.000 1.022 419 D CA 0.728 54.130 54.000 -0.998 0.000 0.868 419 D CB 0.087 40.338 40.800 -0.915 0.000 0.953 419 D HN 0.361 nan 8.370 nan 0.000 0.514 420 G N 0.222 108.620 108.800 -0.670 0.000 3.441 420 G HA2 0.213 4.173 3.960 -0.001 0.000 0.263 420 G HA3 0.213 4.173 3.960 -0.001 0.000 0.263 420 G C 1.370 176.034 174.900 -0.393 0.000 1.014 420 G CA -0.241 44.218 45.100 -1.069 0.000 0.833 420 G HN 0.163 nan 8.290 nan 0.000 0.514 421 L N 0.211 121.320 121.223 -0.189 0.000 2.027 421 L HA 0.011 4.350 4.340 -0.001 0.000 0.206 421 L C 2.709 179.489 176.870 -0.150 0.000 1.074 421 L CA 0.920 55.755 54.840 -0.008 0.000 0.745 421 L CB -0.423 41.711 42.059 0.125 0.000 0.898 421 L HN 0.162 nan 8.230 nan 0.000 0.433 422 L N -0.464 120.674 121.223 -0.142 0.000 2.027 422 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 422 L C 2.851 179.574 176.870 -0.245 0.000 1.074 422 L CA 1.556 56.295 54.840 -0.168 0.000 0.745 422 L CB -0.933 41.060 42.059 -0.110 0.000 0.898 422 L HN 0.341 nan 8.230 nan 0.000 0.433 423 S N -0.941 114.617 115.700 -0.238 0.000 2.383 423 S HA -0.141 4.329 4.470 -0.001 0.000 0.227 423 S C 1.942 176.377 174.600 -0.275 0.000 1.026 423 S CA 1.540 59.581 58.200 -0.265 0.000 0.981 423 S CB -0.772 62.288 63.200 -0.233 0.000 0.818 423 S HN 0.359 nan 8.310 nan 0.000 0.472 424 T N 3.222 117.613 114.554 -0.271 0.000 2.595 424 T HA -0.051 4.298 4.350 -0.001 0.000 0.264 424 T C 2.237 176.596 174.700 -0.568 0.000 1.058 424 T CA 1.588 63.486 62.100 -0.336 0.000 1.166 424 T CB -0.944 67.787 68.868 -0.229 0.000 0.863 424 T HN 0.586 nan 8.240 nan 0.000 0.415 425 A N 1.271 123.554 122.820 -0.895 0.000 2.084 425 A HA 0.044 4.364 4.320 -0.001 0.000 0.221 425 A C 2.519 179.862 177.584 -0.403 0.000 1.161 425 A CA 1.930 53.472 52.037 -0.824 0.000 0.653 425 A CB -0.961 17.592 19.000 -0.745 0.000 0.802 425 A HN 0.548 nan 8.150 nan 0.000 0.457 426 A N -0.548 122.067 122.820 -0.341 0.000 1.872 426 A HA 0.223 4.542 4.320 -0.001 0.000 0.214 426 A C 2.432 179.850 177.584 -0.277 0.000 1.187 426 A CA 1.677 53.560 52.037 -0.258 0.000 0.614 426 A CB -1.384 17.463 19.000 -0.256 0.000 0.826 426 A HN 0.709 nan 8.150 nan 0.000 0.442 427 G N -0.207 108.393 108.800 -0.333 0.000 2.459 427 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 427 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 427 G C 1.503 176.200 174.900 -0.338 0.000 1.183 427 G CA 1.358 46.238 45.100 -0.368 0.000 0.776 427 G HN 0.326 nan 8.290 nan 0.000 0.552 428 V N 0.552 120.262 119.914 -0.340 0.000 2.439 428 V HA -0.235 3.885 4.120 -0.001 0.000 0.253 428 V C 2.822 178.778 176.094 -0.231 0.000 1.074 428 V CA 2.258 64.355 62.300 -0.338 0.000 1.076 428 V CB -0.257 31.383 31.823 -0.305 0.000 0.664 428 V HN 0.417 nan 8.190 nan 0.000 0.461 429 Q N -0.005 119.689 119.800 -0.177 0.000 2.134 429 Q HA -0.061 4.279 4.340 -0.001 0.000 0.195 429 Q C 2.442 178.398 176.000 -0.073 0.000 0.958 429 Q CA 1.217 56.969 55.803 -0.086 0.000 0.840 429 Q CB -0.039 28.668 28.738 -0.053 0.000 0.918 429 Q HN 0.577 nan 8.270 nan 0.000 0.467 430 R N -0.006 120.428 120.500 -0.110 0.000 2.096 430 R HA -0.035 4.305 4.340 -0.001 0.000 0.235 430 R C 2.271 178.549 176.300 -0.036 0.000 1.127 430 R CA 1.187 57.254 56.100 -0.055 0.000 0.968 430 R CB -0.327 29.926 30.300 -0.079 0.000 0.861 430 R HN 0.229 nan 8.270 nan 0.000 0.440 431 A N 0.858 123.594 122.820 -0.139 0.000 1.930 431 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 431 A C 2.177 179.745 177.584 -0.026 0.000 1.175 431 A CA 1.897 53.872 52.037 -0.104 0.000 0.627 431 A CB -0.273 18.588 19.000 -0.231 0.000 0.815 431 A HN 0.433 nan 8.150 nan 0.000 0.443 432 S N -2.863 112.807 115.700 -0.050 0.000 2.497 432 S HA 0.388 4.857 4.470 -0.001 0.000 0.221 432 S C 1.563 176.167 174.600 0.007 0.000 1.037 432 S CA 1.198 59.387 58.200 -0.018 0.000 0.920 432 S CB -0.136 63.048 63.200 -0.026 0.000 0.800 432 S HN 1.885 nan 8.310 nan 0.000 0.505 433 G N 1.444 110.251 108.800 0.011 0.000 2.168 433 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.263 433 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.263 433 G C -0.068 174.850 174.900 0.029 0.000 0.977 433 G CA 0.477 45.594 45.100 0.028 0.000 0.659 433 G HN 0.601 nan 8.290 nan 0.000 0.533 434 K N 1.569 121.982 120.400 0.021 0.000 2.174 434 K HA 0.408 4.727 4.320 -0.001 0.000 0.275 434 K C -2.005 174.625 176.600 0.051 0.000 1.015 434 K CA -1.857 54.443 56.287 0.021 0.000 0.933 434 K CB 1.205 33.706 32.500 0.001 0.000 1.025 434 K HN 0.035 nan 8.250 nan 0.000 0.463 435 P HA -0.127 nan 4.420 nan 0.000 0.265 435 P C -0.794 176.588 177.300 0.136 0.000 1.167 435 P CA 0.417 63.584 63.100 0.111 0.000 0.760 435 P CB 0.388 32.078 31.700 -0.017 0.000 0.783 436 T N 2.949 117.678 114.554 0.292 0.000 2.971 436 T HA 0.391 4.740 4.350 -0.001 0.000 0.304 436 T C -0.800 174.185 174.700 0.474 0.000 1.038 436 T CA -0.418 61.861 62.100 0.299 0.000 1.007 436 T CB 1.146 70.137 68.868 0.206 0.000 1.055 436 T HN 0.193 nan 8.240 nan 0.000 0.451 437 L N 3.495 124.989 121.223 0.451 0.000 2.280 437 L HA 0.841 5.180 4.340 -0.001 0.000 0.287 437 L C -0.414 176.666 176.870 0.350 0.000 1.023 437 L CA -0.637 54.489 54.840 0.475 0.000 0.819 437 L CB 0.428 42.806 42.059 0.531 0.000 1.212 437 L HN 0.822 nan 8.230 nan 0.000 0.420 438 A N 6.614 129.614 122.820 0.300 0.000 2.318 438 A HA 0.817 5.136 4.320 -0.001 0.000 0.324 438 A C -0.768 176.947 177.584 0.218 0.000 1.170 438 A CA -0.456 51.763 52.037 0.303 0.000 0.810 438 A CB 0.465 19.619 19.000 0.258 0.000 1.198 438 A HN 0.666 nan 8.150 nan 0.000 0.484 439 I N 2.536 123.220 120.570 0.191 0.000 2.418 439 I HA 0.556 4.726 4.170 -0.001 0.000 0.287 439 I C -0.699 175.463 176.117 0.075 0.000 1.008 439 I CA -0.798 60.569 61.300 0.112 0.000 1.104 439 I CB 1.770 39.830 38.000 0.099 0.000 1.264 439 I HN 0.314 nan 8.210 nan 0.000 0.438 440 V N 4.062 123.996 119.914 0.034 0.000 2.925 440 V HA 0.656 4.775 4.120 -0.001 0.000 0.311 440 V C 0.476 176.551 176.094 -0.032 0.000 1.104 440 V CA -0.514 61.795 62.300 0.014 0.000 0.954 440 V CB 2.378 34.216 31.823 0.026 0.000 1.022 440 V HN 0.879 nan 8.190 nan 0.000 0.427 441 G N 1.519 110.310 108.800 -0.015 0.000 2.606 441 G HA2 0.211 4.170 3.960 -0.001 0.000 0.252 441 G HA3 0.211 4.170 3.960 -0.001 0.000 0.252 441 G C 0.808 175.695 174.900 -0.021 0.000 1.206 441 G CA 0.466 45.561 45.100 -0.009 0.000 0.861 441 G HN 0.869 nan 8.290 nan 0.000 0.561 442 D N 0.162 120.581 120.400 0.031 0.000 2.084 442 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 442 D C 2.348 178.798 176.300 0.249 0.000 0.990 442 D CA 0.921 55.008 54.000 0.145 0.000 0.826 442 D CB -0.249 40.723 40.800 0.286 0.000 0.971 442 D HN 0.359 nan 8.370 nan 0.000 0.453 443 L N 0.874 122.211 121.223 0.189 0.000 2.046 443 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 443 L C 2.877 179.879 176.870 0.221 0.000 1.077 443 L CA 1.256 56.218 54.840 0.204 0.000 0.747 443 L CB -0.527 41.641 42.059 0.181 0.000 0.896 443 L HN 0.041 nan 8.230 nan 0.000 0.432 444 S N 0.287 116.077 115.700 0.150 0.000 2.370 444 S HA -0.185 4.285 4.470 -0.001 0.000 0.226 444 S C 2.181 176.857 174.600 0.127 0.000 1.033 444 S CA 1.308 59.577 58.200 0.115 0.000 1.011 444 S CB -0.312 62.915 63.200 0.046 0.000 0.852 444 S HN 0.518 nan 8.310 nan 0.000 0.457 445 A N 1.090 123.968 122.820 0.097 0.000 1.968 445 A HA 0.128 4.448 4.320 -0.001 0.000 0.217 445 A C 2.122 179.897 177.584 0.319 0.000 1.169 445 A CA 0.797 52.893 52.037 0.097 0.000 0.638 445 A CB -0.594 18.256 19.000 -0.250 0.000 0.812 445 A HN 0.423 nan 8.150 nan 0.000 0.446 446 L N -2.126 119.336 121.223 0.399 0.000 2.017 446 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 446 L C 2.524 179.533 176.870 0.230 0.000 1.073 446 L CA 1.559 56.585 54.840 0.310 0.000 0.745 446 L CB -0.487 41.705 42.059 0.223 0.000 0.894 446 L HN 0.515 nan 8.230 nan 0.000 0.432 447 Y N 0.066 120.429 120.300 0.106 0.000 2.207 447 Y HA -0.298 4.252 4.550 -0.001 0.000 0.287 447 Y C 2.007 177.934 175.900 0.045 0.000 1.156 447 Y CA 1.781 59.919 58.100 0.063 0.000 1.182 447 Y CB -0.038 38.447 38.460 0.041 0.000 0.979 447 Y HN 0.182 nan 8.280 nan 0.000 0.521 448 D N -1.074 119.472 120.400 0.244 0.000 2.501 448 D HA 0.014 4.654 4.640 -0.001 0.000 0.224 448 D C 1.812 178.175 176.300 0.105 0.000 1.202 448 D CA -0.032 54.045 54.000 0.129 0.000 0.829 448 D CB -0.196 40.607 40.800 0.005 0.000 1.023 448 D HN 0.255 nan 8.370 nan 0.000 0.499 449 L N 1.978 123.295 121.223 0.157 0.000 2.030 449 L HA -0.313 4.026 4.340 -0.001 0.000 0.222 449 L C 1.615 178.537 176.870 0.086 0.000 1.082 449 L CA 2.367 57.307 54.840 0.167 0.000 0.785 449 L CB -0.901 41.282 42.059 0.207 0.000 0.895 449 L HN 0.193 nan 8.230 nan 0.000 0.439 450 N N -0.197 118.576 118.700 0.123 0.000 2.520 450 N HA -0.071 4.669 4.740 -0.001 0.000 0.185 450 N C 1.448 176.949 175.510 -0.014 0.000 1.068 450 N CA 1.146 54.270 53.050 0.125 0.000 0.911 450 N CB -0.785 37.918 38.487 0.360 0.000 0.961 450 N HN 0.418 nan 8.380 nan 0.000 0.446 451 A N 0.290 123.090 122.820 -0.034 0.000 2.248 451 A HA 0.110 4.429 4.320 -0.001 0.000 0.210 451 A C 1.899 179.327 177.584 -0.260 0.000 1.174 451 A CA 0.282 52.230 52.037 -0.147 0.000 0.750 451 A CB -0.776 18.130 19.000 -0.157 0.000 0.780 451 A HN 0.386 nan 8.150 nan 0.000 0.478 452 L N -1.411 119.585 121.223 -0.380 0.000 2.456 452 L HA -0.147 4.193 4.340 -0.001 0.000 0.224 452 L C 2.846 179.350 176.870 -0.609 0.000 1.148 452 L CA 0.694 55.256 54.840 -0.463 0.000 0.825 452 L CB -0.415 41.387 42.059 -0.429 0.000 0.937 452 L HN 0.489 nan 8.230 nan 0.000 0.450 453 A N 0.281 122.697 122.820 -0.674 0.000 1.929 453 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 453 A C 2.197 179.749 177.584 -0.054 0.000 1.176 453 A CA 0.965 52.869 52.037 -0.221 0.000 0.628 453 A CB -0.434 18.680 19.000 0.190 0.000 0.816 453 A HN 0.338 nan 8.150 nan 0.000 0.444 454 L N -0.383 120.739 121.223 -0.169 0.000 2.127 454 L HA -0.157 4.183 4.340 -0.001 0.000 0.211 454 L C 2.147 178.952 176.870 -0.109 0.000 1.089 454 L CA 0.876 55.604 54.840 -0.187 0.000 0.757 454 L CB -0.430 41.404 42.059 -0.376 0.000 0.899 454 L HN 0.363 nan 8.230 nan 0.000 0.434 455 L N -0.794 120.360 121.223 -0.115 0.000 2.551 455 L HA -0.106 4.234 4.340 -0.001 0.000 0.228 455 L C 2.270 179.142 176.870 0.004 0.000 1.153 455 L CA 0.427 55.231 54.840 -0.060 0.000 0.851 455 L CB -0.401 41.618 42.059 -0.067 0.000 0.959 455 L HN 0.197 nan 8.230 nan 0.000 0.451 456 R N -0.075 120.446 120.500 0.036 0.000 2.285 456 R HA -0.019 4.321 4.340 -0.001 0.000 0.213 456 R C 0.235 176.577 176.300 0.069 0.000 1.068 456 R CA 0.640 56.789 56.100 0.083 0.000 1.004 456 R CB 0.001 30.384 30.300 0.137 0.000 0.873 456 R HN 0.398 nan 8.270 nan 0.000 0.467 457 Q N 0.598 120.427 119.800 0.049 0.000 2.695 457 Q HA 0.271 4.610 4.340 -0.001 0.000 0.246 457 Q C -1.490 174.533 176.000 0.039 0.000 0.961 457 Q CA -0.531 55.304 55.803 0.053 0.000 0.708 457 Q CB 2.123 30.902 28.738 0.067 0.000 1.282 457 Q HN 0.011 nan 8.270 nan 0.000 0.482 458 V N -1.262 118.678 119.914 0.043 0.000 2.823 458 V HA 0.535 4.654 4.120 -0.001 0.000 0.312 458 V C 0.794 176.922 176.094 0.056 0.000 1.072 458 V CA -0.680 61.644 62.300 0.041 0.000 0.937 458 V CB 1.904 33.749 31.823 0.037 0.000 1.013 458 V HN 0.642 nan 8.190 nan 0.000 0.430 459 S N 0.960 116.694 115.700 0.056 0.000 2.593 459 S HA 0.677 5.147 4.470 -0.001 0.000 0.217 459 S C 0.586 175.226 174.600 0.067 0.000 0.966 459 S CA 0.331 58.568 58.200 0.061 0.000 0.914 459 S CB -0.145 63.090 63.200 0.059 0.000 0.776 459 S HN 2.050 nan 8.310 nan 0.000 0.523 460 A N 1.323 124.191 122.820 0.078 0.000 2.594 460 A HA 0.665 4.985 4.320 -0.001 0.000 0.296 460 A C -3.223 174.446 177.584 0.142 0.000 1.056 460 A CA -1.679 50.419 52.037 0.102 0.000 0.693 460 A CB 0.469 19.523 19.000 0.091 0.000 1.278 460 A HN 0.071 nan 8.150 nan 0.000 0.408 461 P HA 0.180 nan 4.420 nan 0.000 0.264 461 P C -0.680 176.802 177.300 0.304 0.000 1.173 461 P CA 0.603 63.859 63.100 0.260 0.000 0.761 461 P CB 0.463 32.423 31.700 0.433 0.000 0.794 462 L N 3.346 124.697 121.223 0.212 0.000 2.438 462 L HA 0.461 4.801 4.340 -0.001 0.000 0.270 462 L C -1.151 175.777 176.870 0.095 0.000 0.972 462 L CA -0.927 54.038 54.840 0.209 0.000 0.831 462 L CB 2.148 44.277 42.059 0.117 0.000 1.273 462 L HN 0.001 nan 8.230 nan 0.000 0.405 463 V N 5.397 125.380 119.914 0.115 0.000 2.398 463 V HA 0.423 4.543 4.120 -0.001 0.000 0.286 463 V C -0.426 175.709 176.094 0.068 0.000 1.026 463 V CA -0.520 61.763 62.300 -0.029 0.000 0.868 463 V CB 1.694 33.395 31.823 -0.203 0.000 0.982 463 V HN 0.602 nan 8.190 nan 0.000 0.443 464 L N 6.946 128.167 121.223 -0.003 0.000 2.316 464 L HA 0.621 4.961 4.340 -0.001 0.000 0.280 464 L C -0.536 176.310 176.870 -0.039 0.000 1.006 464 L CA 0.207 55.054 54.840 0.012 0.000 0.836 464 L CB 0.888 42.943 42.059 -0.007 0.000 1.221 464 L HN 0.536 nan 8.230 nan 0.000 0.418 465 I N 5.542 126.112 120.570 -0.001 0.000 2.342 465 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 465 I C -0.539 175.536 176.117 -0.070 0.000 1.010 465 I CA -0.600 60.673 61.300 -0.044 0.000 1.308 465 I CB 1.582 39.603 38.000 0.035 0.000 1.400 465 I HN 0.299 nan 8.210 nan 0.000 0.488 466 V N 7.858 127.692 119.914 -0.134 0.000 2.304 466 V HA 0.174 4.294 4.120 -0.001 0.000 0.278 466 V C 0.101 176.117 176.094 -0.130 0.000 1.018 466 V CA -0.662 61.511 62.300 -0.212 0.000 0.814 466 V CB 1.471 33.008 31.823 -0.476 0.000 1.021 466 V HN 0.382 nan 8.190 nan 0.000 0.440 467 V N 4.691 124.561 119.914 -0.074 0.000 2.446 467 V HA 0.164 4.284 4.120 -0.001 0.000 0.276 467 V C 0.534 176.634 176.094 0.010 0.000 1.030 467 V CA 0.041 62.326 62.300 -0.024 0.000 1.033 467 V CB 0.774 32.590 31.823 -0.011 0.000 0.993 467 V HN 0.822 nan 8.190 nan 0.000 0.477 468 N N 4.448 123.186 118.700 0.064 0.000 2.706 468 N HA 0.218 4.958 4.740 -0.001 0.000 0.240 468 N C 0.437 176.020 175.510 0.121 0.000 1.039 468 N CA -0.592 52.542 53.050 0.140 0.000 0.888 468 N CB 0.690 39.337 38.487 0.265 0.000 1.128 468 N HN 0.719 nan 8.380 nan 0.000 0.512 469 N N 1.702 120.458 118.700 0.093 0.000 2.235 469 N HA 0.113 4.852 4.740 -0.001 0.000 0.209 469 N C -0.477 175.083 175.510 0.083 0.000 1.122 469 N CA -0.340 52.757 53.050 0.079 0.000 0.845 469 N CB -0.074 38.447 38.487 0.057 0.000 1.004 469 N HN 0.287 nan 8.380 nan 0.000 0.499 470 N N 0.391 119.149 118.700 0.098 0.000 2.621 470 N HA -0.066 4.674 4.740 -0.001 0.000 0.269 470 N C 0.023 175.581 175.510 0.079 0.000 1.154 470 N CA 1.275 54.373 53.050 0.079 0.000 0.696 470 N CB -1.324 37.195 38.487 0.055 0.000 0.878 470 N HN 0.931 nan 8.380 nan 0.000 0.550 471 G N -0.456 108.402 108.800 0.098 0.000 2.603 471 G HA2 0.322 4.282 3.960 -0.001 0.000 0.686 471 G HA3 0.322 4.282 3.960 -0.001 0.000 0.686 471 G C 0.332 175.307 174.900 0.125 0.000 1.286 471 G CA 0.121 45.288 45.100 0.112 0.000 0.871 471 G HN 1.177 nan 8.290 nan 0.000 0.568 472 G N -0.252 108.653 108.800 0.174 0.000 2.865 472 G HA2 0.440 4.399 3.960 -0.001 0.000 0.292 472 G HA3 0.440 4.399 3.960 -0.001 0.000 0.292 472 G C 0.951 175.910 174.900 0.099 0.000 0.800 472 G CA 0.221 45.409 45.100 0.146 0.000 1.838 472 G HN 0.600 nan 8.290 nan 0.000 0.535 473 Q N 1.567 121.393 119.800 0.044 0.000 2.437 473 Q HA -0.071 4.269 4.340 -0.001 0.000 0.210 473 Q C 2.292 178.277 176.000 -0.026 0.000 0.972 473 Q CA 0.173 56.001 55.803 0.041 0.000 0.903 473 Q CB 0.033 28.793 28.738 0.037 0.000 0.967 473 Q HN 0.817 nan 8.270 nan 0.000 0.486 474 I N 0.131 120.612 120.570 -0.149 0.000 2.381 474 I HA -0.280 3.889 4.170 -0.001 0.000 0.255 474 I C 0.832 176.795 176.117 -0.257 0.000 1.140 474 I CA 1.057 62.203 61.300 -0.256 0.000 1.404 474 I CB 0.018 37.771 38.000 -0.412 0.000 1.075 474 I HN -0.006 nan 8.210 nan 0.000 0.433 475 F N -0.189 119.812 119.950 0.084 0.000 2.804 475 F HA 0.066 4.592 4.527 -0.001 0.000 0.303 475 F C 2.330 178.162 175.800 0.052 0.000 1.154 475 F CA 0.249 58.311 58.000 0.103 0.000 1.401 475 F CB -0.707 38.414 39.000 0.202 0.000 1.106 475 F HN -0.027 nan 8.300 nan 0.000 0.568 476 S N 0.168 115.957 115.700 0.149 0.000 2.371 476 S HA -0.076 4.394 4.470 -0.001 0.000 0.221 476 S C 2.060 176.694 174.600 0.057 0.000 1.036 476 S CA 0.419 58.671 58.200 0.087 0.000 0.965 476 S CB -0.394 62.842 63.200 0.062 0.000 0.845 476 S HN 0.315 nan 8.310 nan 0.000 0.475 477 L N 2.200 123.445 121.223 0.036 0.000 1.990 477 L HA 0.005 4.345 4.340 -0.001 0.000 0.213 477 L C 0.667 177.561 176.870 0.039 0.000 1.072 477 L CA 1.506 56.359 54.840 0.021 0.000 0.755 477 L CB -0.748 41.308 42.059 -0.006 0.000 0.889 477 L HN 0.245 nan 8.230 nan 0.000 0.432 478 L N 0.770 122.038 121.223 0.074 0.000 2.492 478 L HA 0.038 4.377 4.340 -0.001 0.000 0.280 478 L C -1.351 175.558 176.870 0.065 0.000 1.240 478 L CA -0.949 53.951 54.840 0.100 0.000 0.831 478 L CB -0.263 41.915 42.059 0.198 0.000 1.100 478 L HN 0.105 nan 8.230 nan 0.000 0.505 479 P HA -0.004 nan 4.420 nan 0.000 0.269 479 P C -0.031 177.258 177.300 -0.019 0.000 1.461 479 P CA -0.031 63.078 63.100 0.015 0.000 0.809 479 P CB -0.856 30.855 31.700 0.019 0.000 1.503 480 T N -0.533 113.996 114.554 -0.041 0.000 2.853 480 T HA 0.187 4.537 4.350 -0.001 0.000 0.298 480 T C -2.187 172.386 174.700 -0.211 0.000 0.978 480 T CA -1.757 60.234 62.100 -0.182 0.000 1.152 480 T CB -0.326 68.383 68.868 -0.264 0.000 0.914 480 T HN 0.028 nan 8.240 nan 0.000 0.539 481 P HA 0.077 nan 4.420 nan 0.000 0.261 481 P C 0.718 177.942 177.300 -0.127 0.000 1.203 481 P CA -0.022 62.993 63.100 -0.142 0.000 0.767 481 P CB 0.624 32.256 31.700 -0.113 0.000 0.785 482 Q N 1.996 121.756 119.800 -0.067 0.000 2.124 482 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 482 Q C 1.978 177.972 176.000 -0.009 0.000 0.977 482 Q CA 1.812 57.591 55.803 -0.039 0.000 0.850 482 Q CB -0.398 28.329 28.738 -0.017 0.000 0.901 482 Q HN 0.548 nan 8.270 nan 0.000 0.429 483 S N 0.409 116.111 115.700 0.004 0.000 2.481 483 S HA -0.106 4.364 4.470 -0.001 0.000 0.231 483 S C 1.299 175.948 174.600 0.082 0.000 0.996 483 S CA 0.892 59.113 58.200 0.035 0.000 0.942 483 S CB 0.159 63.378 63.200 0.032 0.000 0.768 483 S HN 0.279 nan 8.310 nan 0.000 0.520 484 E N 0.371 120.631 120.200 0.101 0.000 2.489 484 E HA 0.168 4.518 4.350 -0.001 0.000 0.204 484 E C 1.958 178.726 176.600 0.279 0.000 1.006 484 E CA 0.017 56.578 56.400 0.267 0.000 0.936 484 E CB 0.243 30.128 29.700 0.308 0.000 1.002 484 E HN 0.769 nan 8.360 nan 0.000 0.488 485 R N 0.727 121.286 120.500 0.098 0.000 2.148 485 R HA -0.010 4.330 4.340 -0.001 0.000 0.223 485 R C 1.934 178.314 176.300 0.132 0.000 1.088 485 R CA 1.366 57.506 56.100 0.068 0.000 0.985 485 R CB -0.200 30.054 30.300 -0.077 0.000 0.880 485 R HN 0.085 nan 8.270 nan 0.000 0.451 486 E N 1.003 121.249 120.200 0.078 0.000 2.077 486 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 486 E C 2.159 178.755 176.600 -0.007 0.000 0.989 486 E CA 1.226 57.652 56.400 0.043 0.000 0.800 486 E CB 0.081 29.790 29.700 0.015 0.000 0.746 486 E HN 0.421 nan 8.360 nan 0.000 0.452 487 R N -1.265 119.179 120.500 -0.093 0.000 2.105 487 R HA 0.032 4.372 4.340 -0.001 0.000 0.214 487 R C 1.053 177.094 176.300 -0.431 0.000 1.091 487 R CA 0.717 56.597 56.100 -0.367 0.000 1.007 487 R CB 0.130 30.005 30.300 -0.708 0.000 0.912 487 R HN 0.161 nan 8.270 nan 0.000 0.450 488 F N -1.250 118.765 119.950 0.108 0.000 2.664 488 F HA 0.263 4.790 4.527 -0.001 0.000 0.303 488 F C 0.219 175.910 175.800 -0.183 0.000 1.092 488 F CA -0.074 57.930 58.000 0.007 0.000 1.305 488 F CB 0.562 39.600 39.000 0.063 0.000 1.054 488 F HN 0.020 nan 8.300 nan 0.000 0.565 489 Y N -2.239 118.056 120.300 -0.009 0.000 3.324 489 Y HA 0.182 4.731 4.550 -0.001 0.000 0.187 489 Y C 1.795 177.726 175.900 0.051 0.000 0.920 489 Y CA -0.592 57.413 58.100 -0.157 0.000 1.710 489 Y CB -0.380 37.969 38.460 -0.185 0.000 1.461 489 Y HN -0.278 nan 8.280 nan 0.000 0.360 490 L N 0.231 121.629 121.223 0.291 0.000 1.970 490 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 490 L C 0.466 177.437 176.870 0.168 0.000 1.071 490 L CA 1.447 56.438 54.840 0.252 0.000 0.751 490 L CB -0.642 41.518 42.059 0.168 0.000 0.889 490 L HN 0.314 nan 8.230 nan 0.000 0.432 491 M N 0.101 119.752 119.600 0.085 0.000 3.241 491 M HA -0.119 4.360 4.480 -0.001 0.000 0.169 491 M C -2.287 174.038 176.300 0.042 0.000 1.333 491 M CA -0.425 54.892 55.300 0.028 0.000 0.838 491 M CB -1.621 30.989 32.600 0.017 0.000 1.258 491 M HN 0.031 nan 8.290 nan 0.000 0.656 492 P HA 0.073 nan 4.420 nan 0.000 0.275 492 P C -0.096 177.204 177.300 -0.002 0.000 1.227 492 P CA 0.150 63.266 63.100 0.026 0.000 0.781 492 P CB 0.761 32.472 31.700 0.018 0.000 0.906 493 Q N 0.931 120.729 119.800 -0.004 0.000 2.247 493 Q HA 0.089 4.428 4.340 -0.001 0.000 0.211 493 Q C -0.068 175.887 176.000 -0.076 0.000 0.861 493 Q CA -0.211 55.570 55.803 -0.037 0.000 0.949 493 Q CB -0.347 28.373 28.738 -0.030 0.000 1.115 493 Q HN 0.464 nan 8.270 nan 0.000 0.507 494 N N 0.492 119.146 118.700 -0.077 0.000 2.688 494 N HA -0.168 4.572 4.740 -0.001 0.000 0.258 494 N C -0.967 174.415 175.510 -0.212 0.000 1.016 494 N CA 0.500 53.477 53.050 -0.122 0.000 0.747 494 N CB -1.031 37.406 38.487 -0.084 0.000 0.895 494 N HN 0.080 nan 8.380 nan 0.000 0.543 495 V N 0.487 120.224 119.914 -0.296 0.000 3.078 495 V HA 0.516 4.635 4.120 -0.001 0.000 0.311 495 V C -0.459 175.307 176.094 -0.547 0.000 1.138 495 V CA -0.722 61.353 62.300 -0.375 0.000 1.007 495 V CB 2.532 34.162 31.823 -0.321 0.000 1.045 495 V HN 0.382 nan 8.190 nan 0.000 0.432 496 H N 2.860 121.833 119.070 -0.162 0.000 2.812 496 H HA 0.501 5.057 4.556 -0.001 0.000 0.355 496 H C -0.870 174.296 175.328 -0.271 0.000 1.207 496 H CA -0.553 55.465 56.048 -0.051 0.000 1.217 496 H CB 1.649 31.452 29.762 0.068 0.000 1.874 496 H HN 0.581 nan 8.280 nan 0.000 0.581 497 F N -0.322 119.764 119.950 0.227 0.000 2.654 497 F HA 0.173 4.700 4.527 -0.001 0.000 0.303 497 F C 2.014 177.715 175.800 -0.164 0.000 1.099 497 F CA -0.094 57.985 58.000 0.132 0.000 1.270 497 F CB 0.438 39.577 39.000 0.231 0.000 1.024 497 F HN 0.533 nan 8.300 nan 0.000 0.548 498 E N -0.081 119.847 120.200 -0.452 0.000 2.051 498 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 498 E C 1.847 178.099 176.600 -0.580 0.000 0.991 498 E CA 1.239 56.965 56.400 -1.124 0.000 0.799 498 E CB 0.033 29.151 29.700 -0.970 0.000 0.748 498 E HN 0.473 nan 8.360 nan 0.000 0.449 499 H N -0.468 118.457 119.070 -0.241 0.000 2.363 499 H HA -0.010 4.546 4.556 -0.001 0.000 0.301 499 H C 2.073 177.359 175.328 -0.071 0.000 1.074 499 H CA 1.088 57.049 56.048 -0.145 0.000 1.354 499 H CB -0.181 29.511 29.762 -0.117 0.000 1.397 499 H HN 0.228 nan 8.280 nan 0.000 0.516 500 A N 1.679 124.559 122.820 0.098 0.000 1.869 500 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 500 A C 2.748 180.484 177.584 0.254 0.000 1.203 500 A CA 2.484 54.644 52.037 0.206 0.000 0.638 500 A CB -1.176 17.987 19.000 0.272 0.000 0.831 500 A HN 0.454 nan 8.150 nan 0.000 0.450 501 A N -0.491 122.435 122.820 0.176 0.000 1.892 501 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 501 A C 2.544 180.186 177.584 0.097 0.000 1.188 501 A CA 2.755 54.889 52.037 0.162 0.000 0.631 501 A CB -1.158 17.934 19.000 0.153 0.000 0.822 501 A HN 1.292 nan 8.150 nan 0.000 0.447 502 A N -0.709 122.107 122.820 -0.006 0.000 1.902 502 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 502 A C 2.281 179.852 177.584 -0.022 0.000 1.181 502 A CA 1.974 53.995 52.037 -0.028 0.000 0.623 502 A CB -0.554 18.400 19.000 -0.076 0.000 0.818 502 A HN 0.727 nan 8.150 nan 0.000 0.443 503 M N -1.559 118.011 119.600 -0.050 0.000 2.108 503 M HA -0.099 4.381 4.480 -0.001 0.000 0.261 503 M C 0.816 176.892 176.300 -0.374 0.000 1.066 503 M CA 1.885 57.041 55.300 -0.240 0.000 1.107 503 M CB -0.191 32.205 32.600 -0.340 0.000 1.356 503 M HN 0.269 nan 8.290 nan 0.000 0.406 504 F N 1.525 121.507 119.950 0.053 0.000 2.664 504 F HA 0.216 4.743 4.527 -0.001 0.000 0.301 504 F C 0.289 176.119 175.800 0.049 0.000 1.126 504 F CA 0.121 58.159 58.000 0.063 0.000 1.373 504 F CB -0.626 38.425 39.000 0.085 0.000 1.042 504 F HN 0.265 nan 8.300 nan 0.000 0.535 505 E N 1.038 121.308 120.200 0.116 0.000 2.228 505 E HA -0.223 4.126 4.350 -0.001 0.000 0.213 505 E C -0.588 176.069 176.600 0.095 0.000 1.282 505 E CA 0.021 56.467 56.400 0.076 0.000 0.707 505 E CB -1.426 28.309 29.700 0.058 0.000 1.150 505 E HN 0.416 nan 8.360 nan 0.000 0.362 506 L N 0.001 121.291 121.223 0.111 0.000 2.352 506 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 506 L C 0.734 177.636 176.870 0.053 0.000 1.034 506 L CA -0.977 53.917 54.840 0.090 0.000 0.806 506 L CB 1.003 43.131 42.059 0.116 0.000 1.244 506 L HN -0.058 nan 8.230 nan 0.000 0.447 507 K N 0.949 121.360 120.400 0.018 0.000 2.270 507 K HA 0.288 4.608 4.320 -0.001 0.000 0.276 507 K C -1.262 175.291 176.600 -0.079 0.000 1.023 507 K CA -0.036 56.221 56.287 -0.050 0.000 0.955 507 K CB 0.754 33.223 32.500 -0.051 0.000 0.975 507 K HN 0.363 nan 8.250 nan 0.000 0.471 508 Y N 2.555 122.622 120.300 -0.387 0.000 2.477 508 Y HA 0.323 4.872 4.550 -0.001 0.000 0.347 508 Y C -1.005 174.459 175.900 -0.726 0.000 0.981 508 Y CA -0.720 57.154 58.100 -0.378 0.000 1.033 508 Y CB 1.427 39.771 38.460 -0.193 0.000 1.245 508 Y HN 0.600 nan 8.280 nan 0.000 0.455 509 H N 4.795 123.450 119.070 -0.690 0.000 2.851 509 H HA 0.442 4.998 4.556 -0.001 0.000 0.372 509 H C -1.125 173.721 175.328 -0.803 0.000 1.158 509 H CA -1.048 54.668 56.048 -0.553 0.000 1.159 509 H CB 2.458 32.011 29.762 -0.347 0.000 1.757 509 H HN 0.610 nan 8.280 nan 0.000 0.546 510 R N 2.897 123.196 120.500 -0.335 0.000 2.564 510 R HA 0.234 4.574 4.340 -0.001 0.000 0.282 510 R C -2.746 173.470 176.300 -0.139 0.000 1.573 510 R CA -1.573 54.378 56.100 -0.248 0.000 1.588 510 R CB 0.560 30.815 30.300 -0.075 0.000 1.154 510 R HN 0.390 nan 8.270 nan 0.000 0.606 511 P HA 0.072 nan 4.420 nan 0.000 0.271 511 P C -0.406 176.760 177.300 -0.224 0.000 1.218 511 P CA -0.035 62.974 63.100 -0.152 0.000 0.780 511 P CB 1.201 32.839 31.700 -0.103 0.000 0.901 512 Q N 0.886 120.451 119.800 -0.390 0.000 2.189 512 Q HA 0.109 4.449 4.340 -0.001 0.000 0.223 512 Q C -0.222 175.179 176.000 -0.998 0.000 0.828 512 Q CA -0.040 55.435 55.803 -0.547 0.000 0.967 512 Q CB 0.312 28.866 28.738 -0.306 0.000 1.139 512 Q HN 0.646 nan 8.270 nan 0.000 0.497 513 N N -3.342 114.679 118.700 -1.131 0.000 3.046 513 N HA 0.079 4.819 4.740 -0.001 0.000 0.243 513 N C -0.650 174.512 175.510 -0.580 0.000 1.452 513 N CA -0.834 51.483 53.050 -1.223 0.000 0.882 513 N CB -0.384 37.806 38.487 -0.495 0.000 1.425 513 N HN -0.098 nan 8.380 nan 0.000 0.517 514 W N 0.097 121.461 121.300 0.106 0.000 2.321 514 W HA -0.204 4.456 4.660 -0.001 0.000 0.306 514 W C 2.119 178.729 176.519 0.152 0.000 1.217 514 W CA 1.496 59.038 57.345 0.328 0.000 1.257 514 W CB -0.300 29.355 29.460 0.326 0.000 1.145 514 W HN 0.637 nan 8.180 nan 0.000 0.509 515 Q N 0.362 120.317 119.800 0.258 0.000 2.050 515 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 515 Q C 1.804 177.845 176.000 0.069 0.000 0.980 515 Q CA 1.614 57.509 55.803 0.153 0.000 0.840 515 Q CB -0.927 27.865 28.738 0.089 0.000 0.898 515 Q HN 0.432 nan 8.270 nan 0.000 0.424 516 E N 0.478 120.670 120.200 -0.013 0.000 2.118 516 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 516 E C 1.910 178.447 176.600 -0.105 0.000 0.992 516 E CA 0.855 57.201 56.400 -0.091 0.000 0.804 516 E CB -0.023 29.584 29.700 -0.155 0.000 0.741 516 E HN 0.185 nan 8.360 nan 0.000 0.458 517 L N 1.596 122.810 121.223 -0.016 0.000 1.961 517 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 517 L C 1.837 178.682 176.870 -0.041 0.000 1.072 517 L CA 1.895 56.702 54.840 -0.057 0.000 0.749 517 L CB -0.681 41.453 42.059 0.126 0.000 0.889 517 L HN 0.062 nan 8.230 nan 0.000 0.432 518 E N -1.215 119.068 120.200 0.138 0.000 2.169 518 E HA -0.276 4.073 4.350 -0.001 0.000 0.202 518 E C 1.777 178.459 176.600 0.137 0.000 1.016 518 E CA 2.076 58.612 56.400 0.226 0.000 0.817 518 E CB -0.259 29.601 29.700 0.268 0.000 0.736 518 E HN 0.652 nan 8.360 nan 0.000 0.462 519 T N 0.442 115.009 114.554 0.021 0.000 2.770 519 T HA -0.058 4.292 4.350 -0.001 0.000 0.263 519 T C 2.087 176.693 174.700 -0.156 0.000 1.039 519 T CA 0.962 63.032 62.100 -0.049 0.000 1.142 519 T CB -0.316 68.492 68.868 -0.101 0.000 0.868 519 T HN 0.259 nan 8.240 nan 0.000 0.435 520 A N 1.594 124.237 122.820 -0.295 0.000 1.851 520 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 520 A C 1.996 179.340 177.584 -0.400 0.000 1.195 520 A CA 1.484 53.222 52.037 -0.498 0.000 0.622 520 A CB -1.243 17.414 19.000 -0.572 0.000 0.831 520 A HN 0.349 nan 8.150 nan 0.000 0.444 521 F N 0.113 119.882 119.950 -0.301 0.000 2.027 521 F HA -0.216 4.311 4.527 -0.001 0.000 0.297 521 F C 2.936 178.574 175.800 -0.269 0.000 1.129 521 F CA 1.210 58.979 58.000 -0.385 0.000 1.195 521 F CB -1.175 37.759 39.000 -0.109 0.000 0.960 521 F HN 0.283 nan 8.300 nan 0.000 0.485 522 A N -0.228 122.717 122.820 0.210 0.000 1.869 522 A HA -0.370 3.950 4.320 -0.001 0.000 0.218 522 A C 1.949 179.614 177.584 0.135 0.000 1.203 522 A CA 2.570 54.745 52.037 0.229 0.000 0.638 522 A CB -1.478 17.619 19.000 0.160 0.000 0.831 522 A HN 0.479 nan 8.150 nan 0.000 0.450 523 D N -0.997 119.417 120.400 0.023 0.000 2.117 523 D HA 0.022 4.662 4.640 -0.001 0.000 0.197 523 D C 2.030 178.326 176.300 -0.006 0.000 0.987 523 D CA 1.552 55.556 54.000 0.006 0.000 0.829 523 D CB -0.200 40.575 40.800 -0.042 0.000 0.961 523 D HN 0.387 nan 8.370 nan 0.000 0.460 524 A N 0.143 122.892 122.820 -0.118 0.000 1.908 524 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 524 A C 1.589 179.128 177.584 -0.075 0.000 1.181 524 A CA 1.184 53.114 52.037 -0.179 0.000 0.627 524 A CB -1.345 17.411 19.000 -0.407 0.000 0.818 524 A HN 0.546 nan 8.150 nan 0.000 0.445 525 W N 0.303 121.678 121.300 0.125 0.000 3.392 525 W HA 0.131 4.790 4.660 -0.001 0.000 0.277 525 W C 1.893 178.461 176.519 0.082 0.000 1.323 525 W CA 0.328 57.740 57.345 0.112 0.000 1.616 525 W CB -0.014 29.517 29.460 0.118 0.000 1.056 525 W HN 0.516 nan 8.180 nan 0.000 0.745 526 R N 0.001 120.632 120.500 0.218 0.000 2.373 526 R HA 0.144 4.484 4.340 -0.001 0.000 0.221 526 R C 0.303 176.674 176.300 0.118 0.000 0.893 526 R CA 0.564 56.757 56.100 0.155 0.000 1.049 526 R CB -0.122 30.249 30.300 0.118 0.000 1.119 526 R HN -0.027 nan 8.270 nan 0.000 0.535 527 T N -0.694 113.929 114.554 0.115 0.000 2.893 527 T HA 0.444 4.794 4.350 -0.001 0.000 0.291 527 T C -2.826 171.939 174.700 0.108 0.000 1.028 527 T CA -2.334 59.824 62.100 0.095 0.000 0.995 527 T CB 2.230 71.141 68.868 0.072 0.000 1.051 527 T HN -0.116 nan 8.240 nan 0.000 0.470 528 P HA 0.221 nan 4.420 nan 0.000 0.241 528 P C -0.269 177.081 177.300 0.084 0.000 1.760 528 P CA 0.117 63.276 63.100 0.097 0.000 1.081 528 P CB -0.961 30.788 31.700 0.080 0.000 1.975 529 T N -2.445 112.161 114.554 0.086 0.000 2.749 529 T HA 0.333 4.683 4.350 -0.001 0.000 0.310 529 T C -0.573 174.161 174.700 0.058 0.000 1.496 529 T CA -0.628 61.512 62.100 0.066 0.000 1.006 529 T CB 0.910 69.813 68.868 0.058 0.000 1.457 529 T HN -0.092 nan 8.240 nan 0.000 0.497 530 T N 2.190 116.769 114.554 0.043 0.000 2.806 530 T HA 0.597 4.946 4.350 -0.001 0.000 0.290 530 T C -0.358 174.344 174.700 0.004 0.000 0.966 530 T CA -0.266 61.849 62.100 0.025 0.000 1.060 530 T CB 0.953 69.834 68.868 0.021 0.000 0.927 530 T HN 0.743 nan 8.240 nan 0.000 0.485 531 T N 3.209 117.740 114.554 -0.038 0.000 2.815 531 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 531 T C -0.076 174.569 174.700 -0.091 0.000 1.000 531 T CA -0.532 61.528 62.100 -0.066 0.000 0.958 531 T CB 0.836 69.641 68.868 -0.104 0.000 0.944 531 T HN 0.352 nan 8.240 nan 0.000 0.442 532 V N 5.721 125.602 119.914 -0.054 0.000 2.408 532 V HA 0.411 4.530 4.120 -0.001 0.000 0.267 532 V C 0.146 176.118 176.094 -0.204 0.000 1.047 532 V CA -0.554 61.714 62.300 -0.054 0.000 0.937 532 V CB 0.427 32.315 31.823 0.109 0.000 0.999 532 V HN 0.786 nan 8.190 nan 0.000 0.472 533 I N 4.230 124.650 120.570 -0.249 0.000 2.328 533 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 533 I C 0.413 176.365 176.117 -0.275 0.000 1.012 533 I CA -0.140 60.953 61.300 -0.345 0.000 1.195 533 I CB 1.304 39.058 38.000 -0.410 0.000 1.350 533 I HN 0.652 nan 8.210 nan 0.000 0.464 534 E N 7.399 127.400 120.200 -0.333 0.000 2.152 534 E HA 0.253 4.603 4.350 -0.001 0.000 0.285 534 E C -0.692 175.859 176.600 -0.082 0.000 1.043 534 E CA -0.516 55.815 56.400 -0.115 0.000 0.839 534 E CB 0.874 30.646 29.700 0.121 0.000 1.069 534 E HN 0.465 nan 8.360 nan 0.000 0.399 535 M N 5.211 124.785 119.600 -0.045 0.000 2.069 535 M HA 0.201 4.681 4.480 -0.001 0.000 0.349 535 M C -1.088 175.237 176.300 0.042 0.000 1.194 535 M CA -0.659 54.633 55.300 -0.013 0.000 1.081 535 M CB 1.241 33.791 32.600 -0.084 0.000 1.500 535 M HN 0.267 nan 8.290 nan 0.000 0.438 536 V N 5.964 125.932 119.914 0.089 0.000 2.432 536 V HA 0.431 4.551 4.120 -0.001 0.000 0.275 536 V C -0.036 176.119 176.094 0.102 0.000 1.043 536 V CA -0.490 61.882 62.300 0.121 0.000 0.925 536 V CB 1.255 33.154 31.823 0.126 0.000 0.985 536 V HN 0.664 nan 8.190 nan 0.000 0.466 537 V N 2.277 122.242 119.914 0.084 0.000 2.925 537 V HA 0.635 4.755 4.120 -0.001 0.000 0.311 537 V C -0.252 175.883 176.094 0.068 0.000 1.104 537 V CA -1.356 60.982 62.300 0.062 0.000 0.954 537 V CB 2.093 33.929 31.823 0.022 0.000 1.022 537 V HN 0.659 nan 8.190 nan 0.000 0.427 538 N N 3.356 122.094 118.700 0.062 0.000 2.357 538 N HA -0.035 4.705 4.740 -0.001 0.000 0.257 538 N C 0.956 176.497 175.510 0.052 0.000 1.250 538 N CA 0.883 53.968 53.050 0.057 0.000 0.862 538 N CB 0.694 39.212 38.487 0.051 0.000 1.066 538 N HN 1.061 nan 8.380 nan 0.000 0.468 539 D N 1.997 122.429 120.400 0.054 0.000 2.723 539 D HA -0.303 4.337 4.640 -0.001 0.000 0.208 539 D C 1.089 177.417 176.300 0.047 0.000 1.050 539 D CA 3.016 57.047 54.000 0.053 0.000 0.893 539 D CB -0.948 39.883 40.800 0.052 0.000 1.062 539 D HN 0.602 nan 8.370 nan 0.000 0.478 540 T N -4.071 110.508 114.554 0.042 0.000 3.086 540 T HA 0.100 4.450 4.350 -0.001 0.000 0.250 540 T C 1.096 175.815 174.700 0.031 0.000 1.074 540 T CA 0.281 62.402 62.100 0.036 0.000 0.988 540 T CB 0.186 69.075 68.868 0.035 0.000 0.988 540 T HN -0.058 nan 8.240 nan 0.000 0.530 541 D N 2.282 122.703 120.400 0.035 0.000 2.158 541 D HA -0.053 4.587 4.640 -0.001 0.000 0.197 541 D C 2.240 178.558 176.300 0.030 0.000 0.995 541 D CA 1.498 55.519 54.000 0.035 0.000 0.846 541 D CB -0.769 40.056 40.800 0.043 0.000 0.941 541 D HN 0.566 nan 8.370 nan 0.000 0.456 542 G N 0.919 109.734 108.800 0.026 0.000 2.552 542 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 542 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 542 G C 1.748 176.655 174.900 0.010 0.000 1.240 542 G CA 1.715 46.826 45.100 0.018 0.000 0.796 542 G HN 0.403 nan 8.290 nan 0.000 0.568 543 A N -0.153 122.672 122.820 0.007 0.000 1.908 543 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 543 A C 2.333 179.920 177.584 0.005 0.000 1.181 543 A CA 2.153 54.191 52.037 0.001 0.000 0.627 543 A CB -0.596 18.405 19.000 0.002 0.000 0.818 543 A HN 0.482 nan 8.150 nan 0.000 0.445 544 Q N -1.194 118.614 119.800 0.013 0.000 2.061 544 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 544 Q C 2.212 178.218 176.000 0.010 0.000 0.984 544 Q CA 2.181 57.992 55.803 0.014 0.000 0.846 544 Q CB -0.286 28.464 28.738 0.020 0.000 0.902 544 Q HN 0.676 nan 8.270 nan 0.000 0.421 545 T N 1.185 115.745 114.554 0.011 0.000 2.746 545 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 545 T C 1.708 176.405 174.700 -0.005 0.000 1.039 545 T CA 1.045 63.150 62.100 0.008 0.000 1.142 545 T CB -0.232 68.646 68.868 0.016 0.000 0.866 545 T HN 0.178 nan 8.240 nan 0.000 0.444 546 L N 1.246 122.464 121.223 -0.008 0.000 2.017 546 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 546 L C 2.457 179.314 176.870 -0.021 0.000 1.073 546 L CA 1.808 56.636 54.840 -0.019 0.000 0.745 546 L CB -0.653 41.394 42.059 -0.021 0.000 0.894 546 L HN 0.240 nan 8.230 nan 0.000 0.432 547 Q N -0.990 118.802 119.800 -0.013 0.000 2.135 547 Q HA -0.286 4.054 4.340 -0.001 0.000 0.204 547 Q C 2.280 178.271 176.000 -0.015 0.000 0.981 547 Q CA 2.040 57.835 55.803 -0.013 0.000 0.856 547 Q CB -0.206 28.530 28.738 -0.004 0.000 0.902 547 Q HN 0.641 nan 8.270 nan 0.000 0.425 548 Q N 0.257 120.052 119.800 -0.008 0.000 2.084 548 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 548 Q C 1.946 177.936 176.000 -0.017 0.000 0.978 548 Q CA 1.126 56.926 55.803 -0.006 0.000 0.844 548 Q CB 0.026 28.765 28.738 0.002 0.000 0.898 548 Q HN 0.330 nan 8.270 nan 0.000 0.426 549 L N -0.076 121.132 121.223 -0.025 0.000 2.217 549 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 549 L C 2.040 178.884 176.870 -0.043 0.000 1.107 549 L CA 0.491 55.310 54.840 -0.034 0.000 0.783 549 L CB -0.224 41.808 42.059 -0.044 0.000 0.919 549 L HN 0.255 nan 8.230 nan 0.000 0.442 550 L N -0.477 120.717 121.223 -0.048 0.000 1.971 550 L HA -0.307 4.033 4.340 -0.001 0.000 0.215 550 L C 2.881 179.693 176.870 -0.098 0.000 1.072 550 L CA 1.528 56.330 54.840 -0.063 0.000 0.758 550 L CB -0.697 41.329 42.059 -0.055 0.000 0.889 550 L HN 0.316 nan 8.230 nan 0.000 0.433 551 A N -0.577 122.185 122.820 -0.098 0.000 1.859 551 A HA -0.384 3.935 4.320 -0.001 0.000 0.218 551 A C 2.184 179.632 177.584 -0.227 0.000 1.209 551 A CA 2.467 54.405 52.037 -0.166 0.000 0.639 551 A CB -0.974 17.998 19.000 -0.048 0.000 0.835 551 A HN 0.561 nan 8.150 nan 0.000 0.450 552 Q N -0.685 119.069 119.800 -0.078 0.000 2.045 552 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 552 Q C 1.970 177.948 176.000 -0.036 0.000 0.991 552 Q CA 2.571 58.363 55.803 -0.019 0.000 0.851 552 Q CB -0.274 28.463 28.738 -0.001 0.000 0.911 552 Q HN 0.446 nan 8.270 nan 0.000 0.418 553 V N 0.775 120.660 119.914 -0.048 0.000 2.548 553 V HA -0.204 3.916 4.120 -0.001 0.000 0.249 553 V C 2.346 178.417 176.094 -0.037 0.000 1.055 553 V CA 1.620 63.909 62.300 -0.018 0.000 1.065 553 V CB -0.640 31.187 31.823 0.007 0.000 0.681 553 V HN 0.538 nan 8.190 nan 0.000 0.462 554 S N -0.412 115.210 115.700 -0.129 0.000 2.442 554 S HA -0.231 4.239 4.470 -0.001 0.000 0.236 554 S C 1.668 176.189 174.600 -0.132 0.000 1.007 554 S CA 1.667 59.773 58.200 -0.156 0.000 0.965 554 S CB -0.625 62.438 63.200 -0.228 0.000 0.773 554 S HN 0.794 nan 8.310 nan 0.000 0.504 555 H N 0.786 119.869 119.070 0.022 0.000 2.486 555 H HA 0.342 4.898 4.556 -0.001 0.000 0.287 555 H C 0.593 175.928 175.328 0.012 0.000 1.010 555 H CA 0.007 56.065 56.048 0.016 0.000 1.324 555 H CB -0.009 29.760 29.762 0.012 0.000 1.446 555 H HN 0.353 nan 8.280 nan 0.000 0.537 556 L N 0.000 121.294 121.223 0.119 0.000 2.949 556 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 556 L CA 0.000 54.880 54.840 0.067 0.000 0.813 556 L CB 0.000 42.083 42.059 0.041 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502