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_1 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 AEPLYGEMDD 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 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.059 0.000 1.302 2 S N 1.885 117.589 115.700 0.007 0.000 2.416 2 S HA 0.334 4.804 4.470 -0.000 0.000 0.287 2 S C 1.048 175.668 174.600 0.034 0.000 1.139 2 S CA -0.512 57.700 58.200 0.020 0.000 1.058 2 S CB 0.806 64.025 63.200 0.032 0.000 0.967 2 S HN 0.516 nan 8.310 nan 0.000 0.495 3 V N 5.394 125.319 119.914 0.019 0.000 2.392 3 V HA -0.161 3.958 4.120 -0.000 0.000 0.249 3 V C 2.704 178.837 176.094 0.065 0.000 1.059 3 V CA 2.261 64.585 62.300 0.040 0.000 1.051 3 V CB -1.085 30.744 31.823 0.009 0.000 0.658 3 V HN 0.993 nan 8.190 nan 0.000 0.455 4 S N 1.307 117.025 115.700 0.029 0.000 2.368 4 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 4 S C 2.067 176.671 174.600 0.006 0.000 1.030 4 S CA 1.513 59.710 58.200 -0.005 0.000 0.999 4 S CB -0.527 62.669 63.200 -0.007 0.000 0.844 4 S HN 0.589 nan 8.310 nan 0.000 0.459 5 A N 0.036 122.883 122.820 0.045 0.000 2.067 5 A HA 0.163 4.482 4.320 -0.000 0.000 0.219 5 A C 1.890 179.544 177.584 0.116 0.000 1.158 5 A CA 1.158 53.232 52.037 0.063 0.000 0.661 5 A CB -0.844 18.197 19.000 0.067 0.000 0.801 5 A HN 0.678 nan 8.150 nan 0.000 0.452 6 F N 0.656 120.586 119.950 -0.034 0.000 2.387 6 F HA 0.047 4.574 4.527 -0.000 0.000 0.294 6 F C 1.780 177.585 175.800 0.009 0.000 1.093 6 F CA 0.910 58.880 58.000 -0.049 0.000 1.420 6 F CB -0.135 38.780 39.000 -0.142 0.000 1.086 6 F HN 0.146 nan 8.300 nan 0.000 0.531 7 N N 0.973 119.669 118.700 -0.007 0.000 2.091 7 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 7 N C 1.858 177.305 175.510 -0.106 0.000 1.021 7 N CA 1.675 54.691 53.050 -0.056 0.000 0.862 7 N CB -0.319 38.096 38.487 -0.119 0.000 1.018 7 N HN 0.380 nan 8.380 nan 0.000 0.429 8 R N 0.050 120.490 120.500 -0.100 0.000 2.100 8 R HA 0.183 4.523 4.340 -0.000 0.000 0.220 8 R C 2.133 178.453 176.300 0.034 0.000 1.091 8 R CA 0.305 56.370 56.100 -0.058 0.000 0.986 8 R CB 0.090 30.356 30.300 -0.056 0.000 0.888 8 R HN 0.151 nan 8.270 nan 0.000 0.444 9 R N 0.715 121.226 120.500 0.019 0.000 2.082 9 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 9 R C 1.948 178.365 176.300 0.195 0.000 1.136 9 R CA 1.400 57.575 56.100 0.124 0.000 0.935 9 R CB -1.104 29.289 30.300 0.155 0.000 0.842 9 R HN 0.456 nan 8.270 nan 0.000 0.430 10 W N 1.515 122.637 121.300 -0.296 0.000 2.280 10 W HA -0.372 4.288 4.660 -0.000 0.000 0.332 10 W C 2.178 178.781 176.519 0.141 0.000 1.300 10 W CA 2.651 59.899 57.345 -0.161 0.000 1.274 10 W CB -0.448 28.807 29.460 -0.343 0.000 1.141 10 W HN 0.228 nan 8.180 nan 0.000 0.474 11 A N 0.640 123.644 122.820 0.306 0.000 1.873 11 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 11 A C 2.146 179.836 177.584 0.177 0.000 1.193 11 A CA 3.335 55.514 52.037 0.237 0.000 0.629 11 A CB -1.565 17.512 19.000 0.129 0.000 0.826 11 A HN 0.454 nan 8.150 nan 0.000 0.447 12 A N -0.774 122.168 122.820 0.204 0.000 1.978 12 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 12 A C 2.187 179.973 177.584 0.337 0.000 1.170 12 A CA 1.937 54.138 52.037 0.274 0.000 0.636 12 A CB -0.884 18.292 19.000 0.293 0.000 0.810 12 A HN 0.519 nan 8.150 nan 0.000 0.448 13 V N -0.257 119.832 119.914 0.293 0.000 2.453 13 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 13 V C 2.322 178.442 176.094 0.043 0.000 1.048 13 V CA 1.751 64.147 62.300 0.161 0.000 1.049 13 V CB -0.682 31.151 31.823 0.017 0.000 0.672 13 V HN 0.557 nan 8.190 nan 0.000 0.457 14 I N -0.533 120.045 120.570 0.013 0.000 2.286 14 I HA -0.190 3.979 4.170 -0.000 0.000 0.245 14 I C 2.278 178.463 176.117 0.113 0.000 1.104 14 I CA 1.449 62.747 61.300 -0.003 0.000 1.397 14 I CB -0.176 37.811 38.000 -0.023 0.000 1.072 14 I HN 0.230 nan 8.210 nan 0.000 0.417 15 L N 0.246 121.581 121.223 0.187 0.000 2.072 15 L HA -0.187 4.153 4.340 -0.000 0.000 0.205 15 L C 2.566 179.635 176.870 0.331 0.000 1.079 15 L CA 1.234 56.253 54.840 0.298 0.000 0.752 15 L CB -0.378 41.903 42.059 0.369 0.000 0.906 15 L HN 0.182 nan 8.230 nan 0.000 0.436 16 E N 0.463 120.811 120.200 0.247 0.000 2.072 16 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 16 E C 2.134 178.809 176.600 0.125 0.000 0.985 16 E CA 1.459 57.948 56.400 0.149 0.000 0.801 16 E CB -0.178 29.619 29.700 0.162 0.000 0.750 16 E HN 0.341 nan 8.360 nan 0.000 0.452 17 A N 0.858 123.826 122.820 0.245 0.000 1.948 17 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 17 A C 2.299 180.054 177.584 0.285 0.000 1.177 17 A CA 1.584 53.808 52.037 0.311 0.000 0.636 17 A CB -0.846 18.277 19.000 0.205 0.000 0.815 17 A HN 0.391 nan 8.150 nan 0.000 0.449 18 L N -0.855 120.519 121.223 0.252 0.000 2.191 18 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 18 L C 2.613 179.634 176.870 0.252 0.000 1.103 18 L CA 1.551 56.559 54.840 0.279 0.000 0.769 18 L CB -0.879 41.337 42.059 0.263 0.000 0.908 18 L HN 0.353 nan 8.230 nan 0.000 0.438 19 T N -0.554 114.083 114.554 0.138 0.000 2.788 19 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 19 T C 1.764 176.415 174.700 -0.082 0.000 1.044 19 T CA 1.129 63.216 62.100 -0.023 0.000 1.139 19 T CB -0.146 68.608 68.868 -0.191 0.000 0.867 19 T HN 0.257 nan 8.240 nan 0.000 0.454 20 R N 0.711 121.132 120.500 -0.132 0.000 2.346 20 R HA 0.072 4.411 4.340 -0.000 0.000 0.199 20 R C 0.851 176.856 176.300 -0.492 0.000 1.015 20 R CA 0.579 56.494 56.100 -0.310 0.000 1.058 20 R CB -0.065 30.022 30.300 -0.356 0.000 0.921 20 R HN 0.517 nan 8.270 nan 0.000 0.475 21 H N -1.784 117.290 119.070 0.007 0.000 2.649 21 H HA 0.263 4.819 4.556 -0.000 0.000 0.258 21 H C 0.946 176.283 175.328 0.015 0.000 1.165 21 H CA 0.427 56.484 56.048 0.014 0.000 1.006 21 H CB 1.381 31.159 29.762 0.027 0.000 1.743 21 H HN 0.367 nan 8.280 nan 0.000 0.609 22 G N 1.114 109.951 108.800 0.062 0.000 2.195 22 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 22 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 22 G C 0.479 175.426 174.900 0.077 0.000 0.984 22 G CA 0.223 45.350 45.100 0.046 0.000 0.633 22 G HN 0.215 nan 8.290 nan 0.000 0.525 23 V N 2.418 122.410 119.914 0.130 0.000 2.450 23 V HA 0.092 4.212 4.120 -0.000 0.000 0.264 23 V C 1.862 178.080 176.094 0.207 0.000 0.996 23 V CA 1.221 63.626 62.300 0.175 0.000 1.138 23 V CB 0.541 32.504 31.823 0.234 0.000 1.051 23 V HN 0.469 nan 8.190 nan 0.000 0.470 24 R N 2.425 122.997 120.500 0.120 0.000 2.055 24 R HA 0.075 4.415 4.340 -0.000 0.000 0.221 24 R C 0.637 176.960 176.300 0.037 0.000 1.154 24 R CA 0.378 56.493 56.100 0.026 0.000 0.975 24 R CB 0.184 30.390 30.300 -0.157 0.000 0.869 24 R HN 0.679 nan 8.270 nan 0.000 0.437 25 H N 0.156 119.287 119.070 0.102 0.000 2.646 25 H HA 0.212 4.768 4.556 -0.000 0.000 0.325 25 H C -0.557 174.774 175.328 0.006 0.000 1.075 25 H CA 0.147 56.252 56.048 0.095 0.000 1.421 25 H CB 1.180 31.007 29.762 0.109 0.000 1.461 25 H HN 0.164 nan 8.280 nan 0.000 0.525 26 I N 3.063 123.695 120.570 0.104 0.000 2.534 26 I HA 0.201 4.370 4.170 -0.000 0.000 0.288 26 I C -0.932 175.247 176.117 0.105 0.000 1.077 26 I CA -0.323 60.945 61.300 -0.055 0.000 1.051 26 I CB 0.918 38.671 38.000 -0.411 0.000 1.234 26 I HN 0.495 nan 8.210 nan 0.000 0.425 27 C N 7.497 126.840 119.300 0.071 0.000 2.329 27 C HA 0.660 5.120 4.460 -0.000 0.000 0.329 27 C C -0.130 174.903 174.990 0.072 0.000 1.275 27 C CA -0.568 58.511 59.018 0.101 0.000 1.726 27 C CB 0.473 28.235 27.740 0.036 0.000 2.291 27 C HN 0.524 nan 8.230 nan 0.000 0.514 28 I N 2.820 123.450 120.570 0.100 0.000 2.533 28 I HA 0.592 4.762 4.170 -0.000 0.000 0.290 28 I C 0.057 176.228 176.117 0.090 0.000 1.056 28 I CA -0.072 61.279 61.300 0.086 0.000 1.057 28 I CB 1.633 39.688 38.000 0.090 0.000 1.240 28 I HN 0.741 nan 8.210 nan 0.000 0.423 29 A N 7.783 130.649 122.820 0.077 0.000 2.356 29 A HA 0.941 5.261 4.320 -0.000 0.000 0.323 29 A C -2.679 174.951 177.584 0.077 0.000 1.119 29 A CA -1.558 50.525 52.037 0.076 0.000 0.790 29 A CB 1.071 20.107 19.000 0.060 0.000 1.273 29 A HN 0.405 nan 8.150 nan 0.000 0.452 30 P HA 0.540 nan 4.420 nan 0.000 0.275 30 P C 0.078 177.425 177.300 0.078 0.000 1.228 30 P CA 0.208 63.356 63.100 0.080 0.000 0.786 30 P CB 1.494 33.245 31.700 0.085 0.000 0.927 31 G N -0.627 108.221 108.800 0.080 0.000 2.488 31 G HA2 0.364 4.323 3.960 -0.000 0.000 0.301 31 G HA3 0.364 4.323 3.960 -0.000 0.000 0.301 31 G C -0.043 174.920 174.900 0.104 0.000 1.339 31 G CA 0.218 45.368 45.100 0.084 0.000 0.803 31 G HN 0.444 nan 8.290 nan 0.000 0.482 32 S N -1.270 114.500 115.700 0.116 0.000 2.691 32 S HA 0.055 4.525 4.470 -0.000 0.000 0.241 32 S C 2.146 176.804 174.600 0.096 0.000 1.077 32 S CA 0.976 59.279 58.200 0.172 0.000 0.900 32 S CB -0.120 63.204 63.200 0.207 0.000 0.805 32 S HN 0.464 nan 8.310 nan 0.000 0.529 33 R N 2.447 123.002 120.500 0.093 0.000 2.139 33 R HA 0.015 4.355 4.340 -0.000 0.000 0.243 33 R C 1.945 178.291 176.300 0.077 0.000 1.145 33 R CA 2.083 58.236 56.100 0.088 0.000 0.976 33 R CB -0.968 29.399 30.300 0.112 0.000 0.866 33 R HN 0.562 nan 8.270 nan 0.000 0.449 34 S N -2.089 113.651 115.700 0.067 0.000 2.660 34 S HA 0.051 4.521 4.470 -0.000 0.000 0.227 34 S C 1.354 175.935 174.600 -0.032 0.000 0.948 34 S CA 0.253 58.492 58.200 0.065 0.000 0.948 34 S CB 0.070 63.323 63.200 0.089 0.000 0.779 34 S HN 0.187 nan 8.310 nan 0.000 0.487 35 T N 3.147 117.626 114.554 -0.125 0.000 2.720 35 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 35 T C 1.529 176.090 174.700 -0.231 0.000 1.037 35 T CA 1.755 63.738 62.100 -0.195 0.000 1.144 35 T CB -0.488 68.134 68.868 -0.409 0.000 0.864 35 T HN 0.500 nan 8.240 nan 0.000 0.444 36 L N 0.238 121.239 121.223 -0.369 0.000 2.044 36 L HA 0.020 4.359 4.340 -0.000 0.000 0.205 36 L C 2.505 179.289 176.870 -0.142 0.000 1.075 36 L CA 1.004 55.643 54.840 -0.336 0.000 0.747 36 L CB -0.908 40.775 42.059 -0.628 0.000 0.903 36 L HN 0.233 nan 8.230 nan 0.000 0.435 37 L N -0.129 121.042 121.223 -0.087 0.000 1.963 37 L HA -0.256 4.084 4.340 -0.000 0.000 0.220 37 L C 2.754 179.652 176.870 0.047 0.000 1.076 37 L CA 2.009 56.883 54.840 0.057 0.000 0.772 37 L CB -1.407 40.730 42.059 0.129 0.000 0.892 37 L HN 0.270 nan 8.230 nan 0.000 0.435 38 T N 0.549 115.118 114.554 0.025 0.000 2.635 38 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 38 T C 1.988 176.704 174.700 0.025 0.000 1.040 38 T CA 1.600 63.718 62.100 0.030 0.000 1.156 38 T CB -0.380 68.503 68.868 0.025 0.000 0.863 38 T HN 0.189 nan 8.240 nan 0.000 0.430 39 L N 0.667 121.891 121.223 0.002 0.000 2.017 39 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 39 L C 3.055 179.956 176.870 0.052 0.000 1.073 39 L CA 1.338 56.183 54.840 0.009 0.000 0.745 39 L CB -0.750 41.297 42.059 -0.019 0.000 0.894 39 L HN 0.252 nan 8.230 nan 0.000 0.432 40 A N -0.202 122.660 122.820 0.070 0.000 2.070 40 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 40 A C 2.380 180.096 177.584 0.221 0.000 1.159 40 A CA 1.608 53.725 52.037 0.134 0.000 0.656 40 A CB -0.456 18.632 19.000 0.146 0.000 0.800 40 A HN 0.433 nan 8.150 nan 0.000 0.453 41 A N -0.907 122.046 122.820 0.220 0.000 2.030 41 A HA 0.486 4.805 4.320 -0.000 0.000 0.215 41 A C 2.259 180.103 177.584 0.434 0.000 1.164 41 A CA 1.187 53.444 52.037 0.367 0.000 0.697 41 A CB -0.487 18.615 19.000 0.170 0.000 0.827 41 A HN 0.836 nan 8.150 nan 0.000 0.457 42 A N 0.143 123.037 122.820 0.123 0.000 1.970 42 A HA 0.005 4.324 4.320 -0.000 0.000 0.216 42 A C 1.800 179.405 177.584 0.035 0.000 1.170 42 A CA 1.340 53.298 52.037 -0.133 0.000 0.645 42 A CB -0.257 18.649 19.000 -0.157 0.000 0.816 42 A HN 0.562 nan 8.150 nan 0.000 0.447 43 E N 0.183 120.447 120.200 0.108 0.000 2.076 43 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 43 E C 0.566 177.242 176.600 0.126 0.000 0.979 43 E CA 0.024 56.482 56.400 0.096 0.000 0.807 43 E CB -0.083 29.665 29.700 0.080 0.000 0.761 43 E HN 0.448 nan 8.360 nan 0.000 0.454 44 N N 1.402 120.213 118.700 0.186 0.000 2.434 44 N HA -0.052 4.687 4.740 -0.000 0.000 0.268 44 N C 0.536 176.061 175.510 0.024 0.000 1.256 44 N CA 0.153 53.255 53.050 0.087 0.000 0.914 44 N CB 0.948 39.479 38.487 0.074 0.000 1.088 44 N HN 0.052 nan 8.380 nan 0.000 0.478 45 S N 2.347 118.018 115.700 -0.048 0.000 2.607 45 S HA 0.028 4.497 4.470 -0.000 0.000 0.224 45 S C 1.496 176.015 174.600 -0.135 0.000 0.969 45 S CA 0.323 58.502 58.200 -0.036 0.000 0.927 45 S CB 0.180 63.364 63.200 -0.027 0.000 0.772 45 S HN 0.545 nan 8.310 nan 0.000 0.533 46 A N 0.372 122.993 122.820 -0.330 0.000 2.123 46 A HA 0.423 4.742 4.320 -0.000 0.000 0.214 46 A C 0.329 177.690 177.584 -0.371 0.000 1.152 46 A CA 0.085 51.874 52.037 -0.414 0.000 0.728 46 A CB -0.326 18.311 19.000 -0.605 0.000 0.814 46 A HN 0.480 nan 8.150 nan 0.000 0.464 47 F N -0.310 119.529 119.950 -0.185 0.000 2.378 47 F HA 0.544 5.070 4.527 -0.000 0.000 0.325 47 F C 0.305 175.803 175.800 -0.504 0.000 1.097 47 F CA -1.567 56.212 58.000 -0.368 0.000 1.079 47 F CB 0.842 39.538 39.000 -0.506 0.000 1.240 47 F HN -0.094 nan 8.300 nan 0.000 0.519 48 I N 2.399 122.820 120.570 -0.249 0.000 2.330 48 I HA 0.235 4.404 4.170 -0.000 0.000 0.289 48 I C -0.917 174.965 176.117 -0.393 0.000 1.001 48 I CA -0.678 60.420 61.300 -0.337 0.000 1.193 48 I CB 0.807 38.610 38.000 -0.328 0.000 1.345 48 I HN 0.490 nan 8.210 nan 0.000 0.461 49 H N 4.877 123.865 119.070 -0.138 0.000 2.562 49 H HA 0.453 5.009 4.556 -0.000 0.000 0.314 49 H C -0.553 174.627 175.328 -0.247 0.000 1.079 49 H CA -0.376 55.605 56.048 -0.112 0.000 1.349 49 H CB 0.662 30.413 29.762 -0.019 0.000 1.432 49 H HN 0.435 nan 8.280 nan 0.000 0.479 50 H N 1.442 120.603 119.070 0.151 0.000 2.524 50 H HA 0.412 4.967 4.556 -0.000 0.000 0.353 50 H C -0.072 175.310 175.328 0.089 0.000 1.136 50 H CA -0.710 55.395 56.048 0.096 0.000 1.193 50 H CB 2.160 31.949 29.762 0.045 0.000 1.558 50 H HN 0.753 nan 8.280 nan 0.000 0.515 51 T N -0.359 114.312 114.554 0.195 0.000 2.906 51 T HA 0.494 4.844 4.350 -0.000 0.000 0.295 51 T C -0.965 173.852 174.700 0.195 0.000 1.061 51 T CA -0.753 61.447 62.100 0.166 0.000 1.000 51 T CB 2.796 71.750 68.868 0.143 0.000 1.103 51 T HN 0.718 nan 8.240 nan 0.000 0.486 52 H N 0.877 119.961 119.070 0.024 0.000 3.068 52 H HA 0.439 4.995 4.556 -0.000 0.000 0.342 52 H C -0.119 175.181 175.328 -0.048 0.000 1.284 52 H CA -1.542 54.454 56.048 -0.086 0.000 1.181 52 H CB 1.062 30.701 29.762 -0.206 0.000 1.898 52 H HN 0.610 nan 8.280 nan 0.000 0.540 53 F N -0.449 119.256 119.950 -0.409 0.000 2.387 53 F HA 0.249 4.776 4.527 -0.000 0.000 0.294 53 F C 0.563 176.170 175.800 -0.321 0.000 1.093 53 F CA -0.136 57.698 58.000 -0.276 0.000 1.420 53 F CB 0.176 39.073 39.000 -0.173 0.000 1.086 53 F HN 0.307 nan 8.300 nan 0.000 0.531 54 D N 1.520 121.295 120.400 -1.043 0.000 2.313 54 D HA 0.084 4.724 4.640 -0.000 0.000 0.239 54 D C 0.632 176.849 176.300 -0.138 0.000 1.142 54 D CA 0.063 53.819 54.000 -0.407 0.000 0.847 54 D CB 1.387 41.937 40.800 -0.416 0.000 1.082 54 D HN 0.198 nan 8.370 nan 0.000 0.480 55 E N 2.451 122.641 120.200 -0.017 0.000 2.204 55 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 55 E C 1.781 178.412 176.600 0.051 0.000 0.989 55 E CA 0.667 57.083 56.400 0.027 0.000 0.824 55 E CB 0.202 29.927 29.700 0.043 0.000 0.756 55 E HN 0.425 nan 8.360 nan 0.000 0.477 56 R N -0.068 120.481 120.500 0.081 0.000 2.062 56 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 56 R C 2.333 178.763 176.300 0.217 0.000 1.136 56 R CA 1.497 57.680 56.100 0.138 0.000 0.948 56 R CB -0.596 29.805 30.300 0.168 0.000 0.845 56 R HN 0.291 nan 8.270 nan 0.000 0.430 57 G N 1.456 110.361 108.800 0.175 0.000 2.469 57 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 57 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 57 G C 1.335 176.296 174.900 0.101 0.000 1.136 57 G CA 0.873 46.063 45.100 0.149 0.000 0.759 57 G HN 0.312 nan 8.290 nan 0.000 0.562 58 L N 1.268 122.562 121.223 0.118 0.000 2.046 58 L HA 0.150 4.490 4.340 -0.000 0.000 0.208 58 L C 2.923 179.773 176.870 -0.033 0.000 1.077 58 L CA 2.113 56.978 54.840 0.042 0.000 0.747 58 L CB -0.828 41.263 42.059 0.052 0.000 0.896 58 L HN 0.184 nan 8.230 nan 0.000 0.432 59 G N -1.734 107.028 108.800 -0.062 0.000 2.476 59 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.218 59 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.218 59 G C 1.275 176.031 174.900 -0.239 0.000 1.164 59 G CA 1.345 46.335 45.100 -0.184 0.000 0.768 59 G HN 0.584 nan 8.290 nan 0.000 0.560 60 H N -1.066 117.944 119.070 -0.100 0.000 2.482 60 H HA 0.191 4.746 4.556 -0.000 0.000 0.286 60 H C 2.204 177.420 175.328 -0.187 0.000 1.017 60 H CA 0.482 56.452 56.048 -0.130 0.000 1.322 60 H CB 0.107 29.796 29.762 -0.123 0.000 1.426 60 H HN 0.276 nan 8.280 nan 0.000 0.546 61 L N 0.764 121.930 121.223 -0.095 0.000 2.017 61 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 61 L C 2.335 179.057 176.870 -0.247 0.000 1.073 61 L CA 1.803 56.514 54.840 -0.215 0.000 0.745 61 L CB -0.801 41.114 42.059 -0.239 0.000 0.894 61 L HN 0.241 nan 8.230 nan 0.000 0.432 62 A N -0.760 121.947 122.820 -0.189 0.000 1.902 62 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 62 A C 2.249 179.728 177.584 -0.174 0.000 1.181 62 A CA 1.923 53.853 52.037 -0.177 0.000 0.623 62 A CB -1.025 17.904 19.000 -0.119 0.000 0.818 62 A HN 0.488 nan 8.150 nan 0.000 0.443 63 L N 0.112 121.241 121.223 -0.157 0.000 1.970 63 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 63 L C 2.514 179.297 176.870 -0.145 0.000 1.071 63 L CA 2.488 57.250 54.840 -0.130 0.000 0.751 63 L CB -1.187 40.806 42.059 -0.111 0.000 0.889 63 L HN 0.333 nan 8.230 nan 0.000 0.432 64 G N -0.353 108.341 108.800 -0.178 0.000 2.556 64 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.220 64 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.220 64 G C 1.614 176.329 174.900 -0.307 0.000 1.156 64 G CA 1.540 46.486 45.100 -0.257 0.000 0.766 64 G HN 0.460 nan 8.290 nan 0.000 0.583 65 L N 0.495 121.521 121.223 -0.329 0.000 2.056 65 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 65 L C 3.370 180.085 176.870 -0.259 0.000 1.078 65 L CA 1.093 55.699 54.840 -0.390 0.000 0.749 65 L CB -0.327 41.413 42.059 -0.533 0.000 0.901 65 L HN 0.304 nan 8.230 nan 0.000 0.433 66 A N -0.483 122.228 122.820 -0.182 0.000 1.968 66 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 66 A C 2.360 179.889 177.584 -0.092 0.000 1.169 66 A CA 1.418 53.393 52.037 -0.104 0.000 0.638 66 A CB -0.306 18.646 19.000 -0.080 0.000 0.812 66 A HN 0.286 nan 8.150 nan 0.000 0.446 67 K N -0.177 120.149 120.400 -0.124 0.000 2.002 67 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 67 K C 1.863 178.372 176.600 -0.152 0.000 1.048 67 K CA 1.697 57.929 56.287 -0.092 0.000 0.930 67 K CB -0.287 32.156 32.500 -0.095 0.000 0.714 67 K HN 0.242 nan 8.250 nan 0.000 0.438 68 V N 1.300 121.014 119.914 -0.334 0.000 2.216 68 V HA -0.281 3.839 4.120 -0.000 0.000 0.242 68 V C 2.354 178.386 176.094 -0.104 0.000 1.042 68 V CA 2.281 64.391 62.300 -0.318 0.000 0.991 68 V CB -0.886 30.704 31.823 -0.389 0.000 0.633 68 V HN 0.548 nan 8.190 nan 0.000 0.449 69 S N -0.542 115.103 115.700 -0.091 0.000 2.419 69 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 69 S C 1.319 175.923 174.600 0.006 0.000 1.019 69 S CA 1.518 59.712 58.200 -0.011 0.000 0.982 69 S CB -0.428 62.802 63.200 0.049 0.000 0.789 69 S HN 0.628 nan 8.310 nan 0.000 0.490 70 K N -0.828 119.569 120.400 -0.005 0.000 3.547 70 K HA -0.141 4.178 4.320 -0.000 0.000 0.309 70 K C -0.420 176.181 176.600 0.000 0.000 1.324 70 K CA 1.305 57.592 56.287 -0.000 0.000 0.988 70 K CB -1.198 31.306 32.500 0.007 0.000 1.261 70 K HN 0.555 nan 8.250 nan 0.000 0.444 71 Q N 0.235 120.045 119.800 0.016 0.000 2.195 71 Q HA 0.399 4.739 4.340 -0.000 0.000 0.250 71 Q C -2.527 173.490 176.000 0.028 0.000 0.988 71 Q CA -2.056 53.764 55.803 0.029 0.000 0.911 71 Q CB 0.837 29.607 28.738 0.053 0.000 1.258 71 Q HN -0.097 nan 8.270 nan 0.000 0.475 72 P HA 0.090 nan 4.420 nan 0.000 0.271 72 P C -0.869 176.460 177.300 0.048 0.000 1.216 72 P CA -0.040 63.079 63.100 0.032 0.000 0.776 72 P CB 0.549 32.275 31.700 0.043 0.000 0.881 73 V N 2.910 122.838 119.914 0.022 0.000 2.384 73 V HA 0.539 4.659 4.120 -0.000 0.000 0.287 73 V C 0.449 176.544 176.094 0.001 0.000 1.020 73 V CA -0.882 61.435 62.300 0.028 0.000 0.850 73 V CB 1.150 32.967 31.823 -0.009 0.000 0.987 73 V HN 0.656 nan 8.190 nan 0.000 0.436 74 A N 5.036 127.849 122.820 -0.012 0.000 2.407 74 A HA 0.722 5.042 4.320 -0.000 0.000 0.248 74 A C -0.364 177.194 177.584 -0.043 0.000 1.082 74 A CA -0.176 51.830 52.037 -0.052 0.000 0.785 74 A CB 0.693 19.605 19.000 -0.146 0.000 1.020 74 A HN 0.734 nan 8.150 nan 0.000 0.489 75 V N 2.603 122.503 119.914 -0.023 0.000 2.841 75 V HA 0.494 4.614 4.120 -0.000 0.000 0.310 75 V C -0.563 175.543 176.094 0.021 0.000 1.090 75 V CA -0.239 62.059 62.300 -0.003 0.000 0.930 75 V CB 1.848 33.666 31.823 -0.008 0.000 1.014 75 V HN 0.778 nan 8.190 nan 0.000 0.425 76 I N 4.477 125.067 120.570 0.034 0.000 2.499 76 I HA 0.700 4.870 4.170 -0.000 0.000 0.288 76 I C -0.799 175.360 176.117 0.069 0.000 1.048 76 I CA -0.780 60.556 61.300 0.059 0.000 1.062 76 I CB 2.139 40.171 38.000 0.053 0.000 1.238 76 I HN 0.554 nan 8.210 nan 0.000 0.426 77 V N 1.703 121.669 119.914 0.086 0.000 3.078 77 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 77 V C -0.200 175.952 176.094 0.097 0.000 1.138 77 V CA -0.520 61.831 62.300 0.084 0.000 1.007 77 V CB 1.668 33.536 31.823 0.074 0.000 1.045 77 V HN 0.675 nan 8.190 nan 0.000 0.432 78 T N 1.747 116.354 114.554 0.088 0.000 2.698 78 T HA 0.407 4.757 4.350 -0.000 0.000 0.295 78 T C 0.667 175.418 174.700 0.084 0.000 1.007 78 T CA 0.505 62.660 62.100 0.092 0.000 0.980 78 T CB 0.682 69.600 68.868 0.082 0.000 1.036 78 T HN 1.674 nan 8.240 nan 0.000 0.526 79 S N 0.130 115.878 115.700 0.080 0.000 2.614 79 S HA 0.654 5.124 4.470 -0.000 0.000 0.265 79 S C 0.838 175.464 174.600 0.042 0.000 1.303 79 S CA -0.014 58.222 58.200 0.060 0.000 1.000 79 S CB 0.383 63.619 63.200 0.060 0.000 0.935 79 S HN 1.642 nan 8.310 nan 0.000 0.551 80 G N 0.784 109.597 108.800 0.022 0.000 2.475 80 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.223 80 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.223 80 G C 0.732 175.637 174.900 0.008 0.000 1.201 80 G CA 0.780 45.888 45.100 0.013 0.000 0.962 80 G HN 1.933 nan 8.290 nan 0.000 0.586 81 T N -0.547 114.019 114.554 0.020 0.000 3.007 81 T HA 0.322 4.672 4.350 -0.000 0.000 0.270 81 T C 2.516 177.241 174.700 0.043 0.000 1.107 81 T CA 2.461 64.578 62.100 0.028 0.000 1.118 81 T CB -0.409 68.481 68.868 0.037 0.000 0.889 81 T HN 2.058 nan 8.240 nan 0.000 0.506 82 A N 1.457 124.305 122.820 0.046 0.000 1.883 82 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 82 A C 2.620 180.241 177.584 0.062 0.000 1.186 82 A CA 1.943 54.013 52.037 0.055 0.000 0.624 82 A CB -1.244 17.791 19.000 0.058 0.000 0.822 82 A HN 0.464 nan 8.150 nan 0.000 0.444 83 V N -0.242 119.703 119.914 0.051 0.000 2.380 83 V HA -0.285 3.834 4.120 -0.000 0.000 0.251 83 V C 2.958 179.131 176.094 0.131 0.000 1.063 83 V CA 2.120 64.458 62.300 0.064 0.000 1.055 83 V CB -1.267 30.533 31.823 -0.037 0.000 0.657 83 V HN 0.641 nan 8.190 nan 0.000 0.455 84 A N -0.399 122.463 122.820 0.069 0.000 1.970 84 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 84 A C 2.056 179.732 177.584 0.153 0.000 1.170 84 A CA 1.226 53.327 52.037 0.106 0.000 0.645 84 A CB -0.604 18.417 19.000 0.034 0.000 0.816 84 A HN 0.573 nan 8.150 nan 0.000 0.447 85 N N 0.207 118.974 118.700 0.111 0.000 2.443 85 N HA -0.069 4.670 4.740 -0.000 0.000 0.184 85 N C 1.207 176.762 175.510 0.074 0.000 1.037 85 N CA 0.825 53.938 53.050 0.104 0.000 0.896 85 N CB -0.183 38.356 38.487 0.087 0.000 0.959 85 N HN 0.503 nan 8.380 nan 0.000 0.442 86 L N -0.256 120.998 121.223 0.052 0.000 2.610 86 L HA -0.088 4.252 4.340 -0.000 0.000 0.232 86 L C 1.945 178.725 176.870 -0.150 0.000 1.149 86 L CA 0.203 55.003 54.840 -0.066 0.000 0.872 86 L CB -0.405 41.604 42.059 -0.083 0.000 0.992 86 L HN 0.122 nan 8.230 nan 0.000 0.447 87 Y N 1.597 121.774 120.300 -0.206 0.000 2.200 87 Y HA -0.072 4.478 4.550 -0.000 0.000 0.290 87 Y C -0.115 175.632 175.900 -0.255 0.000 1.137 87 Y CA 0.248 58.172 58.100 -0.293 0.000 1.163 87 Y CB -1.504 36.903 38.460 -0.088 0.000 0.988 87 Y HN 0.117 nan 8.280 nan 0.000 0.518 88 P HA -0.235 nan 4.420 nan 0.000 0.214 88 P C 1.559 178.738 177.300 -0.203 0.000 1.169 88 P CA 2.914 65.960 63.100 -0.089 0.000 0.908 88 P CB -0.237 31.506 31.700 0.071 0.000 0.791 89 A N -1.112 121.445 122.820 -0.439 0.000 1.930 89 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 89 A C 2.178 179.603 177.584 -0.265 0.000 1.175 89 A CA 1.419 53.159 52.037 -0.495 0.000 0.627 89 A CB -1.678 16.888 19.000 -0.724 0.000 0.815 89 A HN 0.183 nan 8.150 nan 0.000 0.443 90 L N -0.119 120.953 121.223 -0.251 0.000 2.042 90 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 90 L C 2.176 178.970 176.870 -0.127 0.000 1.076 90 L CA 1.872 56.587 54.840 -0.208 0.000 0.749 90 L CB -0.318 41.545 42.059 -0.326 0.000 0.893 90 L HN 0.412 nan 8.230 nan 0.000 0.432 91 I N -0.527 119.949 120.570 -0.157 0.000 2.286 91 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 91 I C 2.473 178.564 176.117 -0.043 0.000 1.115 91 I CA 1.329 62.565 61.300 -0.107 0.000 1.392 91 I CB -0.207 37.614 38.000 -0.299 0.000 1.065 91 I HN 0.383 nan 8.210 nan 0.000 0.418 92 E N 1.279 121.438 120.200 -0.069 0.000 2.072 92 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 92 E C 2.149 178.737 176.600 -0.020 0.000 0.985 92 E CA 1.495 57.878 56.400 -0.028 0.000 0.801 92 E CB -0.152 29.543 29.700 -0.008 0.000 0.750 92 E HN 0.388 nan 8.360 nan 0.000 0.452 93 A N 0.524 123.317 122.820 -0.045 0.000 1.892 93 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 93 A C 2.512 180.087 177.584 -0.016 0.000 1.188 93 A CA 2.142 54.156 52.037 -0.037 0.000 0.631 93 A CB -1.680 17.284 19.000 -0.061 0.000 0.822 93 A HN 0.440 nan 8.150 nan 0.000 0.447 94 G N -0.039 108.758 108.800 -0.005 0.000 2.574 94 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 94 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 94 G C 1.413 176.318 174.900 0.008 0.000 1.173 94 G CA 1.476 46.585 45.100 0.016 0.000 0.772 94 G HN 0.551 nan 8.290 nan 0.000 0.585 95 L N 0.531 121.760 121.223 0.011 0.000 2.529 95 L HA 0.212 4.551 4.340 -0.000 0.000 0.223 95 L C 2.541 179.415 176.870 0.008 0.000 1.113 95 L CA 1.218 56.062 54.840 0.007 0.000 0.861 95 L CB 0.145 42.210 42.059 0.010 0.000 1.012 95 L HN 0.384 nan 8.230 nan 0.000 0.461 96 T N -5.047 109.512 114.554 0.009 0.000 2.975 96 T HA 0.452 4.802 4.350 -0.000 0.000 0.257 96 T C 1.368 176.077 174.700 0.014 0.000 1.003 96 T CA 0.549 62.658 62.100 0.015 0.000 0.932 96 T CB 1.168 70.050 68.868 0.024 0.000 1.087 96 T HN 0.332 nan 8.240 nan 0.000 0.512 97 G N 1.274 110.078 108.800 0.007 0.000 2.436 97 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.204 97 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.204 97 G C -0.179 174.713 174.900 -0.013 0.000 1.026 97 G CA -0.234 44.868 45.100 0.004 0.000 0.658 97 G HN 0.592 nan 8.290 nan 0.000 0.499 98 E N 1.818 122.010 120.200 -0.014 0.000 2.975 98 E HA 0.166 4.515 4.350 -0.000 0.000 0.269 98 E C 0.331 176.909 176.600 -0.036 0.000 0.905 98 E CA 0.952 57.336 56.400 -0.027 0.000 0.967 98 E CB 0.283 29.962 29.700 -0.034 0.000 0.925 98 E HN 0.456 nan 8.360 nan 0.000 0.507 99 K N 3.907 124.285 120.400 -0.036 0.000 2.244 99 K HA 0.212 4.532 4.320 -0.000 0.000 0.263 99 K C -0.516 176.064 176.600 -0.033 0.000 1.103 99 K CA -0.165 56.102 56.287 -0.034 0.000 0.966 99 K CB 0.270 32.753 32.500 -0.027 0.000 1.429 99 K HN 0.334 nan 8.250 nan 0.000 0.434 100 L N 4.496 125.694 121.223 -0.042 0.000 2.264 100 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 100 L C -0.122 176.735 176.870 -0.022 0.000 1.044 100 L CA -0.908 53.905 54.840 -0.045 0.000 0.807 100 L CB 0.709 42.722 42.059 -0.076 0.000 1.192 100 L HN 0.322 nan 8.230 nan 0.000 0.425 101 I N 5.542 126.108 120.570 -0.007 0.000 2.306 101 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 101 I C 0.100 176.238 176.117 0.035 0.000 1.036 101 I CA -0.443 60.868 61.300 0.019 0.000 1.221 101 I CB 0.920 38.931 38.000 0.018 0.000 1.385 101 I HN 0.446 nan 8.210 nan 0.000 0.472 102 L N 7.147 128.415 121.223 0.076 0.000 2.261 102 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 102 L C -0.194 176.787 176.870 0.185 0.000 1.059 102 L CA -0.365 54.540 54.840 0.109 0.000 0.816 102 L CB 0.572 42.690 42.059 0.098 0.000 1.191 102 L HN 0.362 nan 8.230 nan 0.000 0.431 103 L N 4.261 125.567 121.223 0.137 0.000 2.277 103 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 103 L C 0.233 177.204 176.870 0.169 0.000 1.028 103 L CA -0.373 54.559 54.840 0.153 0.000 0.835 103 L CB 1.247 43.375 42.059 0.115 0.000 1.215 103 L HN 0.576 nan 8.230 nan 0.000 0.425 104 T N 0.085 114.766 114.554 0.211 0.000 2.786 104 T HA 0.753 5.103 4.350 -0.000 0.000 0.283 104 T C -0.018 174.787 174.700 0.174 0.000 0.992 104 T CA -0.698 61.518 62.100 0.193 0.000 0.954 104 T CB 1.915 70.926 68.868 0.238 0.000 0.934 104 T HN 0.532 nan 8.240 nan 0.000 0.440 105 A N 2.810 125.733 122.820 0.172 0.000 2.322 105 A HA 0.711 5.031 4.320 -0.000 0.000 0.269 105 A C -0.042 177.622 177.584 0.133 0.000 1.094 105 A CA -0.425 51.733 52.037 0.202 0.000 0.807 105 A CB 0.548 19.697 19.000 0.247 0.000 1.047 105 A HN 0.943 nan 8.150 nan 0.000 0.487 106 D N -0.668 119.794 120.400 0.103 0.000 2.579 106 D HA 0.515 5.155 4.640 -0.000 0.000 0.257 106 D C -0.353 175.979 176.300 0.054 0.000 1.176 106 D CA -0.589 53.444 54.000 0.055 0.000 0.914 106 D CB 1.108 41.916 40.800 0.015 0.000 1.431 106 D HN 0.304 nan 8.370 nan 0.000 0.454 107 R N 0.697 121.217 120.500 0.034 0.000 2.652 107 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 107 R C -1.853 174.444 176.300 -0.004 0.000 1.129 107 R CA -1.782 54.336 56.100 0.030 0.000 1.200 107 R CB -0.837 29.476 30.300 0.022 0.000 1.146 107 R HN 0.395 nan 8.270 nan 0.000 0.581 108 P HA 0.188 nan 4.420 nan 0.000 0.278 108 P C -1.978 175.300 177.300 -0.036 0.000 1.258 108 P CA -1.517 61.560 63.100 -0.039 0.000 0.811 108 P CB 0.602 32.279 31.700 -0.037 0.000 1.063 109 P HA -0.209 nan 4.420 nan 0.000 0.216 109 P C 1.093 178.375 177.300 -0.030 0.000 1.150 109 P CA 1.723 64.800 63.100 -0.038 0.000 0.843 109 P CB -0.129 31.544 31.700 -0.045 0.000 0.787 110 E N 0.401 120.583 120.200 -0.030 0.000 2.114 110 E HA -0.171 4.179 4.350 -0.000 0.000 0.199 110 E C 1.864 178.455 176.600 -0.015 0.000 1.008 110 E CA 1.058 57.445 56.400 -0.023 0.000 0.810 110 E CB -1.292 28.395 29.700 -0.022 0.000 0.739 110 E HN 0.321 nan 8.360 nan 0.000 0.456 111 L N 0.720 121.936 121.223 -0.012 0.000 2.629 111 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 111 L C -0.062 176.805 176.870 -0.005 0.000 1.151 111 L CA -0.388 54.450 54.840 -0.004 0.000 0.924 111 L CB 0.082 42.143 42.059 0.004 0.000 1.137 111 L HN 0.079 nan 8.230 nan 0.000 0.457 112 I N -0.315 120.249 120.570 -0.010 0.000 2.437 112 I HA 0.198 4.368 4.170 -0.000 0.000 0.298 112 I C 0.406 176.517 176.117 -0.010 0.000 0.984 112 I CA -0.271 61.023 61.300 -0.010 0.000 1.214 112 I CB 1.247 39.238 38.000 -0.015 0.000 1.365 112 I HN 0.099 nan 8.210 nan 0.000 0.469 113 D N 3.373 123.768 120.400 -0.008 0.000 2.837 113 D HA -0.183 4.456 4.640 -0.000 0.000 0.230 113 D C 0.539 176.836 176.300 -0.006 0.000 1.152 113 D CA 1.073 55.068 54.000 -0.007 0.000 0.736 113 D CB -1.126 39.669 40.800 -0.008 0.000 1.084 113 D HN 0.848 nan 8.370 nan 0.000 0.429 114 C N -3.003 116.294 119.300 -0.005 0.000 3.144 114 C HA 0.691 5.151 4.460 -0.000 0.000 0.253 114 C C 1.646 176.635 174.990 -0.001 0.000 2.010 114 C CA 0.343 59.358 59.018 -0.004 0.000 1.698 114 C CB -0.076 27.661 27.740 -0.005 0.000 3.346 114 C HN 0.678 nan 8.230 nan 0.000 0.449 115 G N 1.361 110.161 108.800 -0.000 0.000 2.203 115 G HA2 0.101 4.061 3.960 -0.000 0.000 0.263 115 G HA3 0.101 4.061 3.960 -0.000 0.000 0.263 115 G C 0.394 175.296 174.900 0.003 0.000 1.012 115 G CA 0.536 45.637 45.100 0.001 0.000 0.749 115 G HN 1.814 nan 8.290 nan 0.000 0.512 116 A N -0.218 122.605 122.820 0.004 0.000 2.407 116 A HA 0.535 4.855 4.320 -0.000 0.000 0.248 116 A C 0.792 178.382 177.584 0.010 0.000 1.082 116 A CA 0.141 52.183 52.037 0.007 0.000 0.785 116 A CB 0.318 19.323 19.000 0.008 0.000 1.020 116 A HN 0.673 nan 8.150 nan 0.000 0.489 117 N N 1.439 120.147 118.700 0.013 0.000 2.468 117 N HA -0.011 4.729 4.740 -0.000 0.000 0.265 117 N C 0.316 175.838 175.510 0.020 0.000 1.199 117 N CA 0.773 53.833 53.050 0.015 0.000 0.928 117 N CB 0.391 38.888 38.487 0.017 0.000 1.059 117 N HN 0.808 nan 8.380 nan 0.000 0.467 118 Q N 0.425 120.236 119.800 0.018 0.000 2.465 118 Q HA -0.220 4.120 4.340 -0.000 0.000 0.248 118 Q C -1.338 174.674 176.000 0.020 0.000 0.819 118 Q CA 0.830 56.646 55.803 0.022 0.000 1.219 118 Q CB -1.311 27.445 28.738 0.030 0.000 1.472 118 Q HN 0.708 nan 8.270 nan 0.000 0.630 119 A N 1.109 123.937 122.820 0.014 0.000 2.249 119 A HA 0.709 5.029 4.320 -0.000 0.000 0.314 119 A C -0.005 177.579 177.584 -0.000 0.000 1.290 119 A CA -0.376 51.666 52.037 0.009 0.000 0.893 119 A CB 0.312 19.317 19.000 0.009 0.000 1.165 119 A HN 0.468 nan 8.150 nan 0.000 0.530 120 I N -1.034 119.532 120.570 -0.007 0.000 3.002 120 I HA 0.625 4.795 4.170 -0.000 0.000 0.310 120 I C -0.177 175.923 176.117 -0.028 0.000 1.087 120 I CA -1.323 59.966 61.300 -0.019 0.000 1.017 120 I CB 1.894 39.878 38.000 -0.027 0.000 1.226 120 I HN 0.468 nan 8.210 nan 0.000 0.443 121 R N 2.464 122.943 120.500 -0.036 0.000 2.291 121 R HA 0.182 4.522 4.340 -0.000 0.000 0.333 121 R C 0.089 176.349 176.300 -0.066 0.000 1.082 121 R CA 0.024 56.100 56.100 -0.041 0.000 0.948 121 R CB 0.692 30.972 30.300 -0.034 0.000 1.009 121 R HN 0.721 nan 8.270 nan 0.000 0.460 122 Q N 1.864 121.630 119.800 -0.057 0.000 2.373 122 Q HA 0.092 4.432 4.340 -0.000 0.000 0.210 122 Q C -1.728 174.249 176.000 -0.038 0.000 0.913 122 Q CA -0.166 55.591 55.803 -0.077 0.000 0.911 122 Q CB 0.032 28.750 28.738 -0.032 0.000 1.040 122 Q HN 0.416 nan 8.270 nan 0.000 0.521 123 P HA 0.075 nan 4.420 nan 0.000 0.276 123 P C 0.357 177.652 177.300 -0.009 0.000 1.235 123 P CA 1.023 64.114 63.100 -0.015 0.000 0.772 123 P CB 0.902 32.584 31.700 -0.030 0.000 0.871 124 G N 3.720 112.538 108.800 0.031 0.000 2.205 124 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.261 124 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.261 124 G C 0.740 175.634 174.900 -0.010 0.000 0.980 124 G CA 0.486 45.612 45.100 0.042 0.000 0.632 124 G HN 0.629 nan 8.290 nan 0.000 0.533 125 M N -1.160 118.360 119.600 -0.134 0.000 2.686 125 M HA 0.451 4.930 4.480 -0.000 0.000 0.246 125 M C 1.144 177.174 176.300 -0.450 0.000 1.096 125 M CA 1.209 56.338 55.300 -0.285 0.000 1.076 125 M CB -0.274 32.073 32.600 -0.421 0.000 1.504 125 M HN 0.069 nan 8.290 nan 0.000 0.524 126 F N 1.147 121.022 119.950 -0.124 0.000 2.653 126 F HA 0.619 5.146 4.527 -0.000 0.000 0.304 126 F C 1.548 177.451 175.800 0.172 0.000 1.092 126 F CA -0.397 57.489 58.000 -0.190 0.000 1.279 126 F CB -0.625 38.292 39.000 -0.139 0.000 1.044 126 F HN 0.419 nan 8.300 nan 0.000 0.564 127 A N 0.669 123.661 122.820 0.287 0.000 5.700 127 A HA -0.337 3.983 4.320 -0.000 0.000 0.288 127 A C 1.683 179.441 177.584 0.291 0.000 2.009 127 A CA 1.555 53.762 52.037 0.283 0.000 0.716 127 A CB -1.992 17.227 19.000 0.364 0.000 1.208 127 A HN 0.680 nan 8.150 nan 0.000 0.371 128 S N -0.821 115.012 115.700 0.222 0.000 2.593 128 S HA 0.096 4.566 4.470 -0.000 0.000 0.217 128 S C 1.260 175.881 174.600 0.034 0.000 0.966 128 S CA 0.992 59.247 58.200 0.092 0.000 0.914 128 S CB -0.607 62.594 63.200 0.001 0.000 0.776 128 S HN 0.723 nan 8.310 nan 0.000 0.523 129 H N 2.244 121.413 119.070 0.164 0.000 2.357 129 H HA 0.104 4.660 4.556 -0.000 0.000 0.301 129 H C -1.546 173.830 175.328 0.079 0.000 1.082 129 H CA 0.470 56.587 56.048 0.115 0.000 1.342 129 H CB -1.751 28.100 29.762 0.149 0.000 1.389 129 H HN 0.427 nan 8.280 nan 0.000 0.511 130 P HA 0.004 nan 4.420 nan 0.000 0.269 130 P C 0.740 178.086 177.300 0.076 0.000 1.209 130 P CA 0.414 63.598 63.100 0.141 0.000 0.776 130 P CB 0.776 32.607 31.700 0.218 0.000 0.876 131 T N 0.373 114.920 114.554 -0.011 0.000 2.708 131 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 131 T C 0.501 175.157 174.700 -0.073 0.000 1.037 131 T CA 1.605 63.629 62.100 -0.125 0.000 1.146 131 T CB -0.448 68.245 68.868 -0.293 0.000 0.865 131 T HN 0.485 nan 8.240 nan 0.000 0.435 132 H N -0.179 118.922 119.070 0.052 0.000 2.690 132 H HA 0.688 5.244 4.556 -0.000 0.000 0.368 132 H C -0.860 174.513 175.328 0.075 0.000 1.150 132 H CA -1.103 54.977 56.048 0.052 0.000 1.174 132 H CB 1.701 31.473 29.762 0.017 0.000 1.684 132 H HN 0.022 nan 8.280 nan 0.000 0.538 133 S N 2.080 117.901 115.700 0.203 0.000 2.513 133 S HA 0.652 5.122 4.470 -0.000 0.000 0.299 133 S C -0.020 174.606 174.600 0.044 0.000 1.087 133 S CA -0.716 57.555 58.200 0.118 0.000 1.012 133 S CB 1.159 64.429 63.200 0.117 0.000 1.044 133 S HN 0.387 nan 8.310 nan 0.000 0.485 134 I N 1.989 122.540 120.570 -0.032 0.000 2.478 134 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 134 I C -0.261 175.802 176.117 -0.089 0.000 1.042 134 I CA -0.427 60.852 61.300 -0.034 0.000 1.067 134 I CB 2.070 40.050 38.000 -0.033 0.000 1.233 134 I HN 0.572 nan 8.210 nan 0.000 0.431 135 S N 7.932 123.618 115.700 -0.024 0.000 2.426 135 S HA 0.506 4.976 4.470 -0.000 0.000 0.236 135 S C -0.315 174.324 174.600 0.065 0.000 1.368 135 S CA -0.622 57.559 58.200 -0.031 0.000 1.154 135 S CB -0.000 63.182 63.200 -0.029 0.000 1.037 135 S HN 0.495 nan 8.310 nan 0.000 0.481 136 L N 5.369 126.649 121.223 0.094 0.000 2.483 136 L HA 0.337 4.677 4.340 -0.000 0.000 0.276 136 L C -1.436 175.530 176.870 0.160 0.000 1.213 136 L CA -1.459 53.524 54.840 0.238 0.000 0.843 136 L CB 0.221 42.450 42.059 0.284 0.000 1.107 136 L HN 0.475 nan 8.230 nan 0.000 0.487 137 P HA 0.078 nan 4.420 nan 0.000 0.279 137 P C -0.669 176.574 177.300 -0.094 0.000 1.282 137 P CA -0.756 62.351 63.100 0.011 0.000 0.788 137 P CB 0.498 32.168 31.700 -0.049 0.000 1.139 138 R N 0.758 121.156 120.500 -0.170 0.000 2.504 138 R HA 0.074 4.413 4.340 -0.000 0.000 0.291 138 R C -1.827 174.207 176.300 -0.443 0.000 0.974 138 R CA -0.938 55.003 56.100 -0.264 0.000 1.077 138 R CB -0.823 29.364 30.300 -0.188 0.000 0.926 138 R HN 0.346 nan 8.270 nan 0.000 0.407 139 P HA -0.030 nan 4.420 nan 0.000 0.262 139 P C -0.859 176.115 177.300 -0.543 0.000 1.199 139 P CA 0.436 62.762 63.100 -1.290 0.000 0.763 139 P CB 1.089 32.064 31.700 -1.208 0.000 0.790 140 T N 1.531 115.827 114.554 -0.429 0.000 2.916 140 T HA 0.167 4.517 4.350 -0.000 0.000 0.305 140 T C 0.735 175.219 174.700 -0.361 0.000 1.119 140 T CA -0.465 61.434 62.100 -0.335 0.000 1.008 140 T CB 1.370 70.084 68.868 -0.257 0.000 1.129 140 T HN 0.267 nan 8.240 nan 0.000 0.480 141 Q N 0.894 120.217 119.800 -0.796 0.000 2.437 141 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 141 Q C 0.719 176.672 176.000 -0.079 0.000 0.972 141 Q CA 1.388 56.798 55.803 -0.655 0.000 0.903 141 Q CB 0.185 28.519 28.738 -0.673 0.000 0.967 141 Q HN 0.606 nan 8.270 nan 0.000 0.486 142 D N -0.282 120.066 120.400 -0.086 0.000 2.277 142 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 142 D C 0.070 176.422 176.300 0.086 0.000 0.962 142 D CA 0.582 54.582 54.000 0.000 0.000 0.865 142 D CB 0.300 41.064 40.800 -0.061 0.000 0.939 142 D HN 0.266 nan 8.370 nan 0.000 0.510 143 I N 2.697 123.359 120.570 0.154 0.000 2.365 143 I HA 0.159 4.328 4.170 -0.000 0.000 0.291 143 I C -2.211 174.225 176.117 0.532 0.000 1.004 143 I CA -2.088 59.337 61.300 0.208 0.000 1.311 143 I CB 1.539 39.607 38.000 0.113 0.000 1.401 143 I HN -0.299 nan 8.210 nan 0.000 0.491 144 P HA 0.106 nan 4.420 nan 0.000 0.276 144 P C 0.456 177.827 177.300 0.117 0.000 1.243 144 P CA -0.235 63.023 63.100 0.262 0.000 0.768 144 P CB 1.246 32.996 31.700 0.083 0.000 0.856 145 A N 5.435 127.993 122.820 -0.437 0.000 1.985 145 A HA -0.293 4.027 4.320 -0.000 0.000 0.223 145 A C 2.136 179.307 177.584 -0.688 0.000 1.189 145 A CA 2.248 53.742 52.037 -0.905 0.000 0.658 145 A CB -1.073 16.864 19.000 -1.772 0.000 0.820 145 A HN 0.692 nan 8.150 nan 0.000 0.464 146 R N -1.896 118.190 120.500 -0.690 0.000 2.159 146 R HA -0.196 4.143 4.340 -0.000 0.000 0.237 146 R C 2.035 178.016 176.300 -0.532 0.000 1.131 146 R CA 1.731 57.273 56.100 -0.931 0.000 0.982 146 R CB -0.661 29.225 30.300 -0.690 0.000 0.868 146 R HN 0.714 nan 8.270 nan 0.000 0.453 147 W N 1.181 122.280 121.300 -0.335 0.000 2.453 147 W HA -0.055 4.605 4.660 -0.000 0.000 0.289 147 W C 1.751 178.150 176.519 -0.199 0.000 1.215 147 W CA 0.428 57.666 57.345 -0.177 0.000 1.297 147 W CB -0.156 29.281 29.460 -0.040 0.000 1.113 147 W HN 0.087 nan 8.180 nan 0.000 0.551 148 L N 0.773 121.949 121.223 -0.078 0.000 1.989 148 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 148 L C 2.495 179.026 176.870 -0.565 0.000 1.071 148 L CA 2.306 56.918 54.840 -0.381 0.000 0.749 148 L CB -1.586 40.272 42.059 -0.334 0.000 0.890 148 L HN 0.086 nan 8.230 nan 0.000 0.431 149 V N -1.685 117.888 119.914 -0.567 0.000 2.548 149 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 149 V C 2.437 178.329 176.094 -0.337 0.000 1.055 149 V CA 1.917 63.922 62.300 -0.492 0.000 1.065 149 V CB 0.020 31.373 31.823 -0.784 0.000 0.681 149 V HN 0.598 nan 8.190 nan 0.000 0.462 150 S N 0.320 115.781 115.700 -0.398 0.000 2.368 150 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 150 S C 1.911 176.346 174.600 -0.276 0.000 1.030 150 S CA 2.003 60.073 58.200 -0.215 0.000 0.999 150 S CB -0.488 62.609 63.200 -0.171 0.000 0.844 150 S HN 0.855 nan 8.310 nan 0.000 0.459 151 T N 2.046 116.259 114.554 -0.569 0.000 2.708 151 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 151 T C 1.761 176.308 174.700 -0.256 0.000 1.037 151 T CA 1.090 62.901 62.100 -0.482 0.000 1.146 151 T CB -0.502 67.900 68.868 -0.776 0.000 0.865 151 T HN 0.217 nan 8.240 nan 0.000 0.435 152 I N 2.077 122.482 120.570 -0.276 0.000 2.127 152 I HA -0.183 3.987 4.170 -0.000 0.000 0.241 152 I C 2.287 178.296 176.117 -0.179 0.000 1.075 152 I CA 1.508 62.700 61.300 -0.181 0.000 1.334 152 I CB -0.416 37.504 38.000 -0.134 0.000 1.040 152 I HN 0.095 nan 8.210 nan 0.000 0.405 153 D N -0.877 119.486 120.400 -0.062 0.000 2.149 153 D HA -0.261 4.379 4.640 -0.000 0.000 0.198 153 D C 2.028 178.326 176.300 -0.004 0.000 0.990 153 D CA 1.606 55.637 54.000 0.051 0.000 0.839 153 D CB -0.469 40.481 40.800 0.251 0.000 0.948 153 D HN 0.501 nan 8.370 nan 0.000 0.460 154 H N 0.610 119.627 119.070 -0.088 0.000 2.321 154 H HA 0.030 4.586 4.556 -0.000 0.000 0.300 154 H C 1.875 177.141 175.328 -0.103 0.000 1.087 154 H CA 2.234 58.230 56.048 -0.088 0.000 1.319 154 H CB -0.187 29.497 29.762 -0.130 0.000 1.379 154 H HN 0.043 nan 8.280 nan 0.000 0.501 155 A N 0.148 122.835 122.820 -0.223 0.000 1.902 155 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 155 A C 2.329 179.854 177.584 -0.099 0.000 1.181 155 A CA 1.649 53.577 52.037 -0.181 0.000 0.623 155 A CB -0.691 18.283 19.000 -0.043 0.000 0.818 155 A HN 0.423 nan 8.150 nan 0.000 0.443 156 L N -0.562 120.510 121.223 -0.251 0.000 2.095 156 L HA 0.091 4.431 4.340 -0.000 0.000 0.204 156 L C 2.784 179.551 176.870 -0.172 0.000 1.080 156 L CA 1.397 56.054 54.840 -0.305 0.000 0.759 156 L CB -0.895 40.777 42.059 -0.644 0.000 0.914 156 L HN 0.387 nan 8.230 nan 0.000 0.439 157 G N -0.626 108.094 108.800 -0.133 0.000 2.476 157 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 157 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 157 G C 1.561 176.458 174.900 -0.005 0.000 1.164 157 G CA 1.593 46.709 45.100 0.027 0.000 0.768 157 G HN 0.452 nan 8.290 nan 0.000 0.560 158 T N -1.662 112.846 114.554 -0.076 0.000 3.129 158 T HA 0.335 4.685 4.350 -0.000 0.000 0.251 158 T C 0.907 175.667 174.700 0.101 0.000 1.117 158 T CA -0.282 61.817 62.100 -0.002 0.000 1.034 158 T CB 0.047 68.841 68.868 -0.123 0.000 0.968 158 T HN 0.126 nan 8.240 nan 0.000 0.526 159 L N 2.061 123.307 121.223 0.039 0.000 2.369 159 L HA 0.352 4.692 4.340 -0.000 0.000 0.279 159 L C 1.063 177.937 176.870 0.006 0.000 1.108 159 L CA -0.122 54.687 54.840 -0.052 0.000 0.852 159 L CB 0.628 42.635 42.059 -0.087 0.000 1.169 159 L HN 0.271 nan 8.230 nan 0.000 0.452 160 H N 4.345 123.364 119.070 -0.085 0.000 2.547 160 H HA 0.621 5.177 4.556 -0.000 0.000 0.272 160 H C -0.012 175.284 175.328 -0.053 0.000 0.971 160 H CA 0.464 56.481 56.048 -0.050 0.000 1.245 160 H CB 0.512 30.251 29.762 -0.040 0.000 1.440 160 H HN 0.743 nan 8.280 nan 0.000 0.540 161 A N -0.946 121.897 122.820 0.039 0.000 2.581 161 A HA 0.520 4.840 4.320 -0.000 0.000 0.294 161 A C 0.177 177.742 177.584 -0.031 0.000 1.035 161 A CA -0.245 51.801 52.037 0.016 0.000 0.684 161 A CB 0.156 19.220 19.000 0.106 0.000 1.282 161 A HN 0.876 nan 8.150 nan 0.000 0.417 162 G N -0.369 108.413 108.800 -0.030 0.000 2.642 162 G HA2 0.471 4.431 3.960 -0.000 0.000 0.231 162 G HA3 0.471 4.431 3.960 -0.000 0.000 0.231 162 G C 0.628 175.499 174.900 -0.048 0.000 1.338 162 G CA 0.193 45.271 45.100 -0.036 0.000 0.883 162 G HN 2.483 nan 8.290 nan 0.000 0.570 163 G N -1.770 107.008 108.800 -0.036 0.000 2.417 163 G HA2 0.761 4.721 3.960 -0.000 0.000 0.334 163 G HA3 0.761 4.721 3.960 -0.000 0.000 0.334 163 G C -0.748 174.157 174.900 0.008 0.000 1.150 163 G CA 0.171 45.257 45.100 -0.023 0.000 0.923 163 G HN 1.451 nan 8.290 nan 0.000 0.485 164 V N 1.110 121.048 119.914 0.039 0.000 2.656 164 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 164 V C -0.607 175.593 176.094 0.177 0.000 1.051 164 V CA -0.847 61.512 62.300 0.098 0.000 0.893 164 V CB 1.732 33.596 31.823 0.068 0.000 0.999 164 V HN 0.900 nan 8.190 nan 0.000 0.426 165 H N 5.129 124.265 119.070 0.110 0.000 2.587 165 H HA 0.603 5.159 4.556 -0.000 0.000 0.325 165 H C -1.319 174.078 175.328 0.114 0.000 1.012 165 H CA -0.906 55.230 56.048 0.147 0.000 1.213 165 H CB 1.361 31.286 29.762 0.272 0.000 1.431 165 H HN 0.592 nan 8.280 nan 0.000 0.492 166 I N 5.126 125.753 120.570 0.095 0.000 2.371 166 I HA 0.047 4.217 4.170 -0.000 0.000 0.282 166 I C -0.029 176.061 176.117 -0.045 0.000 1.031 166 I CA -0.593 60.678 61.300 -0.048 0.000 1.180 166 I CB 0.794 38.808 38.000 0.024 0.000 1.336 166 I HN 0.561 nan 8.210 nan 0.000 0.467 167 N N 4.836 123.375 118.700 -0.268 0.000 2.497 167 N HA 0.146 4.886 4.740 -0.000 0.000 0.268 167 N C -0.816 174.678 175.510 -0.028 0.000 1.171 167 N CA 0.111 53.112 53.050 -0.082 0.000 0.948 167 N CB 0.661 39.067 38.487 -0.135 0.000 1.069 167 N HN 0.556 nan 8.380 nan 0.000 0.460 168 C N 5.916 125.211 119.300 -0.009 0.000 3.276 168 C HA 0.369 4.829 4.460 -0.000 0.000 0.226 168 C C -2.359 172.417 174.990 -0.356 0.000 1.502 168 C CA -1.351 57.603 59.018 -0.108 0.000 1.488 168 C CB -0.309 27.463 27.740 0.053 0.000 2.014 168 C HN 0.659 nan 8.230 nan 0.000 0.492 169 P HA 0.155 nan 4.420 nan 0.000 0.264 169 P C -0.676 176.282 177.300 -0.570 0.000 1.193 169 P CA 0.618 63.552 63.100 -0.276 0.000 0.763 169 P CB 0.204 31.799 31.700 -0.176 0.000 0.810 170 F N 1.479 121.424 119.950 -0.008 0.000 2.540 170 F HA 0.585 5.112 4.527 -0.000 0.000 0.317 170 F C 0.401 176.173 175.800 -0.047 0.000 1.104 170 F CA -1.005 56.969 58.000 -0.044 0.000 0.913 170 F CB 1.526 40.510 39.000 -0.027 0.000 1.170 170 F HN 0.204 nan 8.300 nan 0.000 0.450 171 A N 2.655 125.553 122.820 0.130 0.000 2.301 171 A HA 0.535 4.855 4.320 -0.000 0.000 0.298 171 A C -0.102 177.520 177.584 0.064 0.000 1.185 171 A CA -0.604 51.469 52.037 0.059 0.000 0.830 171 A CB 0.143 19.147 19.000 0.005 0.000 1.112 171 A HN 0.822 nan 8.150 nan 0.000 0.508 172 E N 2.523 122.753 120.200 0.050 0.000 2.418 172 E HA 0.223 4.572 4.350 -0.000 0.000 0.261 172 E C -2.072 174.546 176.600 0.029 0.000 1.070 172 E CA -1.021 55.404 56.400 0.042 0.000 0.931 172 E CB 0.169 29.903 29.700 0.056 0.000 0.954 172 E HN 0.511 nan 8.360 nan 0.000 0.439 173 P HA 0.013 nan 4.420 nan 0.000 0.276 173 P C -0.213 177.080 177.300 -0.011 0.000 1.243 173 P CA 0.312 63.434 63.100 0.036 0.000 0.768 173 P CB 0.607 32.331 31.700 0.040 0.000 0.856 174 L N 1.884 123.079 121.223 -0.047 0.000 2.554 174 L HA 0.195 4.535 4.340 -0.000 0.000 0.225 174 L C 0.173 176.750 176.870 -0.488 0.000 1.104 174 L CA 0.347 55.008 54.840 -0.298 0.000 0.866 174 L CB -0.411 41.396 42.059 -0.419 0.000 1.047 174 L HN 0.295 nan 8.230 nan 0.000 0.468 175 Y N 0.060 120.345 120.300 -0.024 0.000 2.391 175 Y HA 0.734 5.284 4.550 -0.000 0.000 0.341 175 Y C 0.442 176.336 175.900 -0.010 0.000 0.965 175 Y CA -1.010 57.078 58.100 -0.019 0.000 1.067 175 Y CB 2.174 40.626 38.460 -0.013 0.000 1.199 175 Y HN -0.098 nan 8.280 nan 0.000 0.450 176 G N 1.626 110.504 108.800 0.130 0.000 2.442 176 G HA2 0.244 4.204 3.960 -0.000 0.000 0.296 176 G HA3 0.244 4.204 3.960 -0.000 0.000 0.296 176 G C -1.745 173.187 174.900 0.055 0.000 1.564 176 G CA -1.163 43.984 45.100 0.078 0.000 0.828 176 G HN 0.561 nan 8.290 nan 0.000 0.571 177 E N 0.196 120.422 120.200 0.043 0.000 2.652 177 E HA 0.038 4.388 4.350 -0.000 0.000 0.255 177 E C 0.493 177.111 176.600 0.031 0.000 0.952 177 E CA -0.094 56.326 56.400 0.033 0.000 0.947 177 E CB 0.303 30.019 29.700 0.026 0.000 0.912 177 E HN 0.365 nan 8.360 nan 0.000 0.489 178 M N 5.792 125.409 119.600 0.028 0.000 3.042 178 M HA 0.044 4.524 4.480 -0.000 0.000 0.283 178 M C -0.455 175.861 176.300 0.027 0.000 1.473 178 M CA -0.018 55.298 55.300 0.027 0.000 1.583 178 M CB -0.774 31.840 32.600 0.023 0.000 1.221 178 M HN 0.478 nan 8.290 nan 0.000 0.518 179 D N 1.625 122.043 120.400 0.030 0.000 2.192 179 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 179 D C -0.023 176.301 176.300 0.039 0.000 1.348 179 D CA 0.652 54.671 54.000 0.032 0.000 0.938 179 D CB 0.653 41.474 40.800 0.035 0.000 1.256 179 D HN 0.695 nan 8.370 nan 0.000 0.529 180 D N -1.681 118.745 120.400 0.043 0.000 2.788 180 D HA 0.115 4.755 4.640 -0.000 0.000 0.289 180 D C 0.684 177.031 176.300 0.079 0.000 1.340 180 D CA -0.241 53.792 54.000 0.055 0.000 0.831 180 D CB -0.005 40.819 40.800 0.040 0.000 1.103 180 D HN 0.094 nan 8.370 nan 0.000 0.476 181 T N -0.776 113.832 114.554 0.089 0.000 2.777 181 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 181 T C 1.759 176.557 174.700 0.163 0.000 1.040 181 T CA 1.611 63.767 62.100 0.093 0.000 1.141 181 T CB -0.143 68.767 68.868 0.070 0.000 0.868 181 T HN 0.487 nan 8.240 nan 0.000 0.444 182 G N 0.498 109.468 108.800 0.282 0.000 3.233 182 G HA2 0.206 4.166 3.960 -0.000 0.000 0.227 182 G HA3 0.206 4.166 3.960 -0.000 0.000 0.227 182 G C 1.327 176.486 174.900 0.431 0.000 1.175 182 G CA -0.157 45.225 45.100 0.469 0.000 0.781 182 G HN 0.453 nan 8.290 nan 0.000 0.542 183 L N 1.170 122.545 121.223 0.252 0.000 2.093 183 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 183 L C 2.916 179.889 176.870 0.171 0.000 1.085 183 L CA 2.331 57.272 54.840 0.169 0.000 0.755 183 L CB -0.157 41.950 42.059 0.081 0.000 0.904 183 L HN 0.239 nan 8.230 nan 0.000 0.435 184 S N -1.548 114.266 115.700 0.190 0.000 2.414 184 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 184 S C 1.786 176.521 174.600 0.226 0.000 1.022 184 S CA 0.557 58.856 58.200 0.165 0.000 0.958 184 S CB -1.191 62.088 63.200 0.132 0.000 0.797 184 S HN 0.706 nan 8.310 nan 0.000 0.493 185 W N 2.269 123.651 121.300 0.136 0.000 2.332 185 W HA -0.138 4.521 4.660 -0.000 0.000 0.321 185 W C 2.490 179.125 176.519 0.193 0.000 1.219 185 W CA 1.968 59.424 57.345 0.185 0.000 1.277 185 W CB -0.588 29.055 29.460 0.305 0.000 1.161 185 W HN 0.311 nan 8.180 nan 0.000 0.476 186 Q N -0.400 119.623 119.800 0.371 0.000 2.135 186 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 186 Q C 2.155 178.267 176.000 0.186 0.000 0.981 186 Q CA 1.882 57.800 55.803 0.191 0.000 0.856 186 Q CB -0.398 28.491 28.738 0.252 0.000 0.902 186 Q HN 0.501 nan 8.270 nan 0.000 0.425 187 Q N -0.470 119.396 119.800 0.110 0.000 2.482 187 Q HA -0.012 4.328 4.340 -0.000 0.000 0.209 187 Q C 1.421 177.494 176.000 0.122 0.000 0.961 187 Q CA -0.032 55.837 55.803 0.110 0.000 0.945 187 Q CB 0.373 29.145 28.738 0.056 0.000 1.012 187 Q HN 0.093 nan 8.270 nan 0.000 0.515 188 R N 0.123 120.647 120.500 0.040 0.000 2.237 188 R HA -0.026 4.313 4.340 -0.000 0.000 0.219 188 R C 1.315 177.638 176.300 0.038 0.000 1.080 188 R CA 0.732 56.834 56.100 0.004 0.000 0.995 188 R CB -0.168 30.064 30.300 -0.114 0.000 0.875 188 R HN 0.326 nan 8.270 nan 0.000 0.462 189 L N -0.197 121.061 121.223 0.059 0.000 2.612 189 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 189 L C 1.311 178.425 176.870 0.408 0.000 1.140 189 L CA 0.174 55.059 54.840 0.074 0.000 0.896 189 L CB -0.650 41.278 42.059 -0.218 0.000 1.065 189 L HN 0.223 nan 8.230 nan 0.000 0.447 190 G N 2.347 111.360 108.800 0.355 0.000 2.602 190 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.306 190 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.306 190 G C 0.434 175.580 174.900 0.410 0.000 1.301 190 G CA 0.664 45.958 45.100 0.322 0.000 0.974 190 G HN 0.635 nan 8.290 nan 0.000 0.547 191 D N -0.433 120.150 120.400 0.306 0.000 2.352 191 D HA 0.071 4.711 4.640 -0.000 0.000 0.232 191 D C 1.562 178.036 176.300 0.289 0.000 1.055 191 D CA 1.018 55.180 54.000 0.269 0.000 0.891 191 D CB -0.473 40.418 40.800 0.152 0.000 0.897 191 D HN 0.628 nan 8.370 nan 0.000 0.529 192 W N 0.121 121.503 121.300 0.136 0.000 2.392 192 W HA -0.064 4.596 4.660 -0.000 0.000 0.279 192 W C 0.855 177.339 176.519 -0.059 0.000 1.225 192 W CA 0.470 57.835 57.345 0.033 0.000 1.233 192 W CB -0.262 29.268 29.460 0.116 0.000 1.122 192 W HN -0.003 nan 8.180 nan 0.000 0.561 193 W N 0.190 121.676 121.300 0.311 0.000 2.392 193 W HA -0.141 4.519 4.660 -0.000 0.000 0.279 193 W C 1.811 178.276 176.519 -0.091 0.000 1.225 193 W CA 1.052 58.460 57.345 0.104 0.000 1.233 193 W CB -0.461 29.112 29.460 0.188 0.000 1.122 193 W HN -0.091 nan 8.180 nan 0.000 0.561 194 Q N -0.583 119.295 119.800 0.130 0.000 2.247 194 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 194 Q C -0.239 175.717 176.000 -0.073 0.000 0.872 194 Q CA 0.269 56.092 55.803 0.033 0.000 0.951 194 Q CB 0.267 29.045 28.738 0.066 0.000 1.099 194 Q HN 0.004 nan 8.270 nan 0.000 0.501 195 D N -0.419 119.870 120.400 -0.185 0.000 2.442 195 D HA 0.145 4.785 4.640 -0.000 0.000 0.254 195 D C -0.052 176.053 176.300 -0.325 0.000 1.069 195 D CA -0.451 53.414 54.000 -0.226 0.000 1.017 195 D CB 1.212 41.881 40.800 -0.218 0.000 1.172 195 D HN -0.011 nan 8.370 nan 0.000 0.561 196 D N -0.621 119.622 120.400 -0.263 0.000 2.469 196 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 196 D C -0.158 175.989 176.300 -0.254 0.000 1.135 196 D CA -0.096 53.750 54.000 -0.256 0.000 0.834 196 D CB 0.225 40.920 40.800 -0.175 0.000 1.009 196 D HN -0.018 nan 8.370 nan 0.000 0.507 197 K N 1.573 121.825 120.400 -0.247 0.000 2.098 197 K HA 0.421 4.741 4.320 -0.000 0.000 0.258 197 K C -2.427 174.071 176.600 -0.169 0.000 0.973 197 K CA -2.121 54.054 56.287 -0.186 0.000 0.898 197 K CB 0.852 33.283 32.500 -0.116 0.000 1.057 197 K HN 0.003 nan 8.250 nan 0.000 0.447 198 P HA -0.109 nan 4.420 nan 0.000 0.270 198 P C 0.756 178.288 177.300 0.387 0.000 1.227 198 P CA -0.094 63.079 63.100 0.122 0.000 0.788 198 P CB 0.604 32.332 31.700 0.047 0.000 0.926 199 W N 1.839 123.378 121.300 0.398 0.000 2.380 199 W HA -0.051 4.609 4.660 -0.000 0.000 0.317 199 W C 0.026 176.578 176.519 0.056 0.000 1.196 199 W CA 0.863 58.298 57.345 0.151 0.000 1.307 199 W CB -0.338 28.987 29.460 -0.225 0.000 1.157 199 W HN 0.112 nan 8.180 nan 0.000 0.483 200 L N 2.544 123.943 121.223 0.294 0.000 2.275 200 L HA 0.375 4.715 4.340 -0.000 0.000 0.288 200 L C -0.141 176.802 176.870 0.121 0.000 1.046 200 L CA -0.278 54.647 54.840 0.143 0.000 0.805 200 L CB 1.134 43.308 42.059 0.192 0.000 1.193 200 L HN -0.149 nan 8.230 nan 0.000 0.426 201 R N 3.970 124.501 120.500 0.053 0.000 2.368 201 R HA 0.521 4.861 4.340 -0.000 0.000 0.302 201 R C -0.748 175.589 176.300 0.061 0.000 1.002 201 R CA -0.388 55.745 56.100 0.054 0.000 0.929 201 R CB 0.898 31.205 30.300 0.012 0.000 1.073 201 R HN 0.690 nan 8.270 nan 0.000 0.464 202 E N 2.060 122.305 120.200 0.076 0.000 2.635 202 E HA 0.171 4.521 4.350 -0.000 0.000 0.388 202 E C -2.002 174.636 176.600 0.063 0.000 1.027 202 E CA -0.243 56.200 56.400 0.071 0.000 0.713 202 E CB 0.773 30.532 29.700 0.098 0.000 1.536 202 E HN 0.716 nan 8.360 nan 0.000 0.388 203 A N 4.633 127.486 122.820 0.054 0.000 3.355 203 A HA 0.420 4.739 4.320 -0.000 0.000 0.290 203 A C -2.255 175.358 177.584 0.048 0.000 0.973 203 A CA -0.904 51.164 52.037 0.051 0.000 0.933 203 A CB 0.199 19.231 19.000 0.052 0.000 1.138 203 A HN 0.368 nan 8.150 nan 0.000 0.490 204 P HA 0.258 nan 4.420 nan 0.000 0.271 204 P C -0.504 176.836 177.300 0.065 0.000 1.216 204 P CA 0.004 63.134 63.100 0.050 0.000 0.776 204 P CB 0.686 32.415 31.700 0.048 0.000 0.881 205 R N 1.443 121.980 120.500 0.061 0.000 2.410 205 R HA 0.478 4.818 4.340 -0.000 0.000 0.288 205 R C -0.284 176.062 176.300 0.077 0.000 1.051 205 R CA -0.965 55.185 56.100 0.082 0.000 1.021 205 R CB 0.692 31.030 30.300 0.064 0.000 1.032 205 R HN 0.382 nan 8.270 nan 0.000 0.481 206 L N 1.968 123.255 121.223 0.106 0.000 2.298 206 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 206 L C -0.694 176.209 176.870 0.054 0.000 1.013 206 L CA 0.166 55.022 54.840 0.027 0.000 0.824 206 L CB 1.198 43.194 42.059 -0.106 0.000 1.221 206 L HN 0.732 nan 8.230 nan 0.000 0.418 207 E N 2.822 123.044 120.200 0.037 0.000 2.372 207 E HA 0.383 4.733 4.350 -0.000 0.000 0.279 207 E C -1.519 175.109 176.600 0.046 0.000 0.946 207 E CA -0.610 55.824 56.400 0.057 0.000 0.769 207 E CB 1.927 31.674 29.700 0.077 0.000 1.230 207 E HN 0.537 nan 8.360 nan 0.000 0.442 208 S N 2.188 117.928 115.700 0.067 0.000 2.465 208 S HA 0.118 4.587 4.470 -0.000 0.000 0.279 208 S C -0.274 174.390 174.600 0.107 0.000 1.201 208 S CA -0.315 57.927 58.200 0.070 0.000 1.053 208 S CB 0.890 64.127 63.200 0.061 0.000 0.953 208 S HN 0.463 nan 8.310 nan 0.000 0.488 209 E N 2.303 122.544 120.200 0.068 0.000 2.459 209 E HA -0.045 4.305 4.350 -0.000 0.000 0.264 209 E C 0.231 176.885 176.600 0.091 0.000 1.055 209 E CA 0.182 56.617 56.400 0.057 0.000 0.957 209 E CB 0.416 30.136 29.700 0.033 0.000 0.952 209 E HN 0.397 nan 8.360 nan 0.000 0.448 210 K N 2.418 122.837 120.400 0.032 0.000 2.504 210 K HA -0.131 4.189 4.320 -0.000 0.000 0.278 210 K C -0.422 176.271 176.600 0.154 0.000 1.025 210 K CA 0.135 56.417 56.287 -0.008 0.000 1.093 210 K CB 0.406 32.812 32.500 -0.156 0.000 0.873 210 K HN 0.350 nan 8.250 nan 0.000 0.483 211 Q N 4.502 124.598 119.800 0.493 0.000 2.489 211 Q HA -0.020 4.320 4.340 -0.000 0.000 0.231 211 Q C 0.473 176.687 176.000 0.355 0.000 1.273 211 Q CA 0.430 56.462 55.803 0.382 0.000 0.898 211 Q CB 0.256 29.219 28.738 0.376 0.000 1.545 211 Q HN 0.464 nan 8.270 nan 0.000 0.538 212 R N 1.278 121.894 120.500 0.193 0.000 2.397 212 R HA -0.142 4.197 4.340 -0.000 0.000 0.213 212 R C 0.133 176.542 176.300 0.182 0.000 1.102 212 R CA 1.033 57.200 56.100 0.111 0.000 1.040 212 R CB 0.188 30.521 30.300 0.055 0.000 0.844 212 R HN 0.458 nan 8.270 nan 0.000 0.478 213 D N -1.467 119.165 120.400 0.387 0.000 2.670 213 D HA -0.079 4.560 4.640 -0.000 0.000 0.255 213 D C 0.957 177.716 176.300 0.765 0.000 1.286 213 D CA -0.518 53.785 54.000 0.506 0.000 0.830 213 D CB -0.680 40.464 40.800 0.574 0.000 1.065 213 D HN 0.253 nan 8.370 nan 0.000 0.486 214 W N 0.220 121.823 121.300 0.504 0.000 2.476 214 W HA -0.081 4.579 4.660 -0.000 0.000 0.281 214 W C 0.104 176.997 176.519 0.623 0.000 1.230 214 W CA 0.182 57.905 57.345 0.630 0.000 1.287 214 W CB -0.097 29.726 29.460 0.605 0.000 1.108 214 W HN -0.113 nan 8.180 nan 0.000 0.567 215 F N 0.537 120.537 119.950 0.084 0.000 2.216 215 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 215 F C 2.252 178.002 175.800 -0.084 0.000 1.085 215 F CA 0.759 58.705 58.000 -0.090 0.000 1.326 215 F CB -1.846 37.190 39.000 0.059 0.000 1.027 215 F HN -0.096 nan 8.300 nan 0.000 0.497 216 F N -0.969 119.018 119.950 0.063 0.000 2.098 216 F HA -0.118 4.409 4.527 0.001 0.000 0.294 216 F C 2.045 177.693 175.800 -0.254 0.000 1.107 216 F CA 1.172 59.082 58.000 -0.151 0.000 1.234 216 F CB -1.036 37.825 39.000 -0.232 0.000 1.002 216 F HN -0.104 nan 8.300 nan 0.000 0.472 217 W N 1.704 122.762 121.300 -0.404 0.000 2.363 217 W HA -0.124 4.537 4.660 0.000 0.000 0.296 217 W C 2.617 178.874 176.519 -0.437 0.000 1.212 217 W CA 1.700 58.723 57.345 -0.536 0.000 1.260 217 W CB -0.483 28.836 29.460 -0.234 0.000 1.131 217 W HN 0.037 nan 8.180 nan 0.000 0.530 218 R N 0.741 120.946 120.500 -0.492 0.000 2.377 218 R HA -0.125 4.215 4.340 -0.000 0.000 0.207 218 R C 1.481 177.653 176.300 -0.214 0.000 1.075 218 R CA 1.430 57.162 56.100 -0.613 0.000 1.035 218 R CB -0.497 28.982 30.300 -1.368 0.000 0.857 218 R HN 0.306 nan 8.270 nan 0.000 0.475 219 Q N 0.086 119.772 119.800 -0.191 0.000 2.392 219 Q HA 0.122 4.462 4.340 -0.000 0.000 0.219 219 Q C 0.069 176.011 176.000 -0.097 0.000 0.895 219 Q CA -0.026 55.697 55.803 -0.134 0.000 0.929 219 Q CB 0.549 29.179 28.738 -0.181 0.000 1.077 219 Q HN 0.190 nan 8.270 nan 0.000 0.532 220 K N 1.082 121.367 120.400 -0.191 0.000 2.202 220 K HA 0.125 4.445 4.320 -0.000 0.000 0.238 220 K C 0.092 176.501 176.600 -0.319 0.000 1.070 220 K CA 0.128 56.243 56.287 -0.288 0.000 0.859 220 K CB 0.197 32.487 32.500 -0.350 0.000 1.140 220 K HN 0.023 nan 8.250 nan 0.000 0.515 221 R N 0.276 120.400 120.500 -0.627 0.000 2.210 221 R HA 0.271 4.611 4.340 -0.000 0.000 0.338 221 R C 0.421 175.992 176.300 -1.214 0.000 1.062 221 R CA -0.224 55.175 56.100 -1.168 0.000 0.902 221 R CB 0.642 29.923 30.300 -1.697 0.000 1.050 221 R HN 0.645 nan 8.270 nan 0.000 0.461 222 G N 1.165 108.851 108.800 -1.856 0.000 2.537 222 G HA2 0.574 4.534 3.960 -0.000 0.000 0.323 222 G HA3 0.574 4.534 3.960 -0.000 0.000 0.323 222 G C -1.077 173.380 174.900 -0.738 0.000 1.207 222 G CA -0.441 43.461 45.100 -1.996 0.000 0.976 222 G HN 0.311 nan 8.290 nan 0.000 0.487 223 V N -0.025 119.734 119.914 -0.259 0.000 2.638 223 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 223 V C -0.454 175.771 176.094 0.219 0.000 1.052 223 V CA -0.706 61.666 62.300 0.119 0.000 0.885 223 V CB 1.829 33.758 31.823 0.177 0.000 0.999 223 V HN 0.532 nan 8.190 nan 0.000 0.424 224 V N 5.201 125.306 119.914 0.319 0.000 2.370 224 V HA 0.504 4.624 4.120 -0.000 0.000 0.283 224 V C -0.237 175.987 176.094 0.217 0.000 1.023 224 V CA -0.460 62.045 62.300 0.342 0.000 0.857 224 V CB 1.853 33.961 31.823 0.475 0.000 0.985 224 V HN 0.642 nan 8.190 nan 0.000 0.443 225 V N 3.857 123.875 119.914 0.174 0.000 2.459 225 V HA 0.840 4.959 4.120 -0.000 0.000 0.295 225 V C 0.235 176.394 176.094 0.108 0.000 1.029 225 V CA -0.600 61.785 62.300 0.142 0.000 0.874 225 V CB 1.645 33.574 31.823 0.177 0.000 0.985 225 V HN 0.947 nan 8.190 nan 0.000 0.438 226 A N 3.345 126.217 122.820 0.087 0.000 2.340 226 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 226 A C 0.344 177.949 177.584 0.035 0.000 1.195 226 A CA 0.085 52.156 52.037 0.055 0.000 0.769 226 A CB 1.116 20.155 19.000 0.064 0.000 1.163 226 A HN 1.004 nan 8.150 nan 0.000 0.472 227 G N 0.678 109.490 108.800 0.019 0.000 2.773 227 G HA2 0.421 4.380 3.960 -0.000 0.000 0.186 227 G HA3 0.421 4.380 3.960 -0.000 0.000 0.186 227 G C 0.250 175.146 174.900 -0.007 0.000 1.411 227 G CA -0.767 44.339 45.100 0.009 0.000 1.054 227 G HN 0.835 nan 8.290 nan 0.000 0.579 228 R N 0.376 120.869 120.500 -0.011 0.000 2.570 228 R HA 0.315 4.655 4.340 -0.000 0.000 0.277 228 R C -0.043 176.245 176.300 -0.020 0.000 1.039 228 R CA 0.731 56.821 56.100 -0.017 0.000 1.065 228 R CB -0.142 30.154 30.300 -0.007 0.000 0.964 228 R HN 0.630 nan 8.270 nan 0.000 0.428 229 M N 0.269 119.852 119.600 -0.027 0.000 3.147 229 M HA 0.242 4.722 4.480 -0.000 0.000 0.276 229 M C -0.587 175.692 176.300 -0.035 0.000 1.211 229 M CA -1.005 54.278 55.300 -0.028 0.000 0.820 229 M CB 1.247 33.827 32.600 -0.034 0.000 1.621 229 M HN 0.552 nan 8.290 nan 0.000 0.507 230 S N 0.846 116.530 115.700 -0.026 0.000 2.617 230 S HA 0.566 5.036 4.470 -0.000 0.000 0.255 230 S C 1.008 175.576 174.600 -0.053 0.000 1.318 230 S CA 0.121 58.301 58.200 -0.032 0.000 0.978 230 S CB 0.835 64.030 63.200 -0.008 0.000 0.961 230 S HN 1.010 nan 8.310 nan 0.000 0.582 231 A N 0.734 123.515 122.820 -0.065 0.000 1.854 231 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 231 A C 2.024 179.590 177.584 -0.031 0.000 1.192 231 A CA 1.447 53.447 52.037 -0.061 0.000 0.611 231 A CB -1.377 17.575 19.000 -0.081 0.000 0.832 231 A HN 0.899 nan 8.150 nan 0.000 0.442 232 E N 0.481 120.666 120.200 -0.024 0.000 2.153 232 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 232 E C 1.782 178.378 176.600 -0.007 0.000 0.988 232 E CA 1.334 57.726 56.400 -0.013 0.000 0.811 232 E CB -0.256 29.438 29.700 -0.010 0.000 0.746 232 E HN 0.744 nan 8.360 nan 0.000 0.466 233 E N 0.126 120.318 120.200 -0.013 0.000 2.153 233 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 233 E C 2.170 178.766 176.600 -0.007 0.000 0.988 233 E CA 0.901 57.292 56.400 -0.014 0.000 0.811 233 E CB -0.230 29.456 29.700 -0.024 0.000 0.746 233 E HN 0.409 nan 8.360 nan 0.000 0.466 234 G N 1.752 110.549 108.800 -0.005 0.000 2.404 234 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 234 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 234 G C 1.427 176.345 174.900 0.029 0.000 1.174 234 G CA 0.493 45.599 45.100 0.009 0.000 0.780 234 G HN 0.069 nan 8.290 nan 0.000 0.537 235 K N 0.572 120.987 120.400 0.024 0.000 2.034 235 K HA -0.166 4.154 4.320 -0.000 0.000 0.214 235 K C 2.528 179.161 176.600 0.055 0.000 1.051 235 K CA 1.615 57.922 56.287 0.034 0.000 0.931 235 K CB -0.296 32.217 32.500 0.023 0.000 0.715 235 K HN 0.198 nan 8.250 nan 0.000 0.446 236 K N 0.627 121.056 120.400 0.048 0.000 2.063 236 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 236 K C 2.161 178.832 176.600 0.119 0.000 1.048 236 K CA 1.226 57.552 56.287 0.066 0.000 0.928 236 K CB -0.135 32.383 32.500 0.030 0.000 0.713 236 K HN -0.061 nan 8.250 nan 0.000 0.442 237 V N 0.854 120.824 119.914 0.093 0.000 2.307 237 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 237 V C 2.228 178.467 176.094 0.242 0.000 1.045 237 V CA 1.960 64.358 62.300 0.164 0.000 1.024 237 V CB -0.642 31.229 31.823 0.081 0.000 0.651 237 V HN 0.397 nan 8.190 nan 0.000 0.449 238 A N -0.383 122.526 122.820 0.148 0.000 1.948 238 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 238 A C 2.213 179.871 177.584 0.124 0.000 1.177 238 A CA 2.084 54.194 52.037 0.122 0.000 0.636 238 A CB -0.541 18.503 19.000 0.074 0.000 0.815 238 A HN 0.516 nan 8.150 nan 0.000 0.449 239 L N -3.140 118.165 121.223 0.137 0.000 2.095 239 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 239 L C 2.433 179.399 176.870 0.161 0.000 1.080 239 L CA 1.328 56.240 54.840 0.120 0.000 0.759 239 L CB -0.401 41.718 42.059 0.101 0.000 0.914 239 L HN 0.751 nan 8.230 nan 0.000 0.439 240 W N 0.508 121.820 121.300 0.021 0.000 2.402 240 W HA -0.155 4.504 4.660 -0.000 0.000 0.286 240 W C 2.333 178.849 176.519 -0.005 0.000 1.221 240 W CA 1.439 58.796 57.345 0.020 0.000 1.257 240 W CB 0.032 29.527 29.460 0.057 0.000 1.120 240 W HN 0.088 nan 8.180 nan 0.000 0.551 241 A N -0.266 122.674 122.820 0.200 0.000 1.968 241 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 241 A C 1.981 179.514 177.584 -0.085 0.000 1.169 241 A CA 1.627 53.679 52.037 0.026 0.000 0.638 241 A CB -0.883 18.258 19.000 0.236 0.000 0.812 241 A HN 0.528 nan 8.150 nan 0.000 0.446 242 Q N -0.517 119.263 119.800 -0.033 0.000 2.079 242 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 242 Q C 1.970 177.902 176.000 -0.113 0.000 0.974 242 Q CA 1.981 57.753 55.803 -0.050 0.000 0.840 242 Q CB -0.233 28.496 28.738 -0.016 0.000 0.898 242 Q HN 0.599 nan 8.270 nan 0.000 0.430 243 T N 1.630 116.093 114.554 -0.151 0.000 2.684 243 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 243 T C 1.768 176.295 174.700 -0.289 0.000 1.036 243 T CA 1.291 63.279 62.100 -0.187 0.000 1.148 243 T CB -0.224 68.544 68.868 -0.166 0.000 0.863 243 T HN 0.262 nan 8.240 nan 0.000 0.436 244 L N 0.592 121.517 121.223 -0.497 0.000 2.275 244 L HA 0.126 4.465 4.340 -0.000 0.000 0.215 244 L C 1.983 178.635 176.870 -0.363 0.000 1.119 244 L CA 0.631 55.045 54.840 -0.710 0.000 0.790 244 L CB -0.920 40.237 42.059 -1.502 0.000 0.919 244 L HN 0.519 nan 8.230 nan 0.000 0.443 245 G N -1.092 107.615 108.800 -0.156 0.000 2.249 245 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.273 245 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.273 245 G C -0.318 174.755 174.900 0.288 0.000 1.036 245 G CA -0.249 44.876 45.100 0.041 0.000 0.824 245 G HN 0.172 nan 8.290 nan 0.000 0.504 246 W N 0.152 121.445 121.300 -0.011 0.000 2.381 246 W HA 0.569 5.228 4.660 -0.001 0.000 0.329 246 W C -1.638 174.835 176.519 -0.077 0.000 1.157 246 W CA -3.032 54.354 57.345 0.069 0.000 1.240 246 W CB 0.464 29.991 29.460 0.112 0.000 1.199 246 W HN 0.039 nan 8.180 nan 0.000 0.579 247 P HA 0.163 nan 4.420 nan 0.000 0.278 247 P C -0.955 176.407 177.300 0.102 0.000 1.238 247 P CA -0.391 62.679 63.100 -0.049 0.000 0.794 247 P CB 1.309 32.867 31.700 -0.237 0.000 0.955 248 L N 4.081 125.359 121.223 0.092 0.000 2.280 248 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 248 L C -0.459 176.488 176.870 0.128 0.000 1.023 248 L CA -0.501 54.420 54.840 0.136 0.000 0.819 248 L CB 0.110 42.251 42.059 0.136 0.000 1.212 248 L HN 0.204 nan 8.230 nan 0.000 0.420 249 I N 5.505 126.148 120.570 0.122 0.000 2.291 249 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 249 I C 0.785 176.948 176.117 0.077 0.000 1.064 249 I CA -0.219 61.139 61.300 0.096 0.000 1.269 249 I CB 0.799 38.804 38.000 0.008 0.000 1.418 249 I HN 0.759 nan 8.210 nan 0.000 0.485 250 G N 3.910 112.750 108.800 0.068 0.000 2.415 250 G HA2 0.363 4.323 3.960 -0.000 0.000 0.327 250 G HA3 0.363 4.323 3.960 -0.000 0.000 0.327 250 G C -1.076 173.836 174.900 0.020 0.000 1.182 250 G CA -0.364 44.765 45.100 0.048 0.000 0.924 250 G HN 0.538 nan 8.290 nan 0.000 0.470 251 D N 0.404 120.811 120.400 0.011 0.000 2.354 251 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 251 D C 1.980 178.272 176.300 -0.015 0.000 1.138 251 D CA -0.176 53.820 54.000 -0.007 0.000 0.958 251 D CB 1.631 42.428 40.800 -0.005 0.000 1.144 251 D HN 0.209 nan 8.370 nan 0.000 0.458 252 V N 0.305 120.203 119.914 -0.026 0.000 2.546 252 V HA -0.163 3.957 4.120 -0.000 0.000 0.254 252 V C 1.492 177.562 176.094 -0.040 0.000 1.076 252 V CA 1.226 63.505 62.300 -0.034 0.000 1.087 252 V CB -0.806 30.991 31.823 -0.044 0.000 0.674 252 V HN 0.412 nan 8.190 nan 0.000 0.470 253 L N 1.488 122.689 121.223 -0.038 0.000 2.653 253 L HA 0.262 4.602 4.340 -0.000 0.000 0.232 253 L C 2.092 178.939 176.870 -0.039 0.000 1.169 253 L CA 1.173 55.985 54.840 -0.046 0.000 0.951 253 L CB -0.427 41.608 42.059 -0.040 0.000 1.181 253 L HN 0.612 nan 8.230 nan 0.000 0.460 254 S N -2.097 113.588 115.700 -0.025 0.000 2.497 254 S HA 0.038 4.508 4.470 -0.000 0.000 0.221 254 S C 0.959 175.550 174.600 -0.015 0.000 1.037 254 S CA -0.048 58.144 58.200 -0.014 0.000 0.920 254 S CB 0.070 63.273 63.200 0.006 0.000 0.800 254 S HN 0.329 nan 8.310 nan 0.000 0.505 255 Q N 0.816 120.608 119.800 -0.014 0.000 2.503 255 Q HA -0.140 4.200 4.340 -0.000 0.000 0.267 255 Q C 0.780 176.787 176.000 0.011 0.000 1.030 255 Q CA 1.094 56.895 55.803 -0.004 0.000 1.041 255 Q CB -2.608 26.118 28.738 -0.021 0.000 1.406 255 Q HN 0.882 nan 8.270 nan 0.000 0.524 256 T N -5.049 109.515 114.554 0.017 0.000 3.081 256 T HA 0.348 4.698 4.350 -0.000 0.000 0.255 256 T C 1.565 176.280 174.700 0.026 0.000 1.113 256 T CA 0.573 62.692 62.100 0.031 0.000 1.082 256 T CB 0.575 69.471 68.868 0.048 0.000 0.939 256 T HN 0.992 nan 8.240 nan 0.000 0.506 257 G N 1.555 110.363 108.800 0.015 0.000 2.179 257 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 257 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 257 G C 0.069 174.974 174.900 0.008 0.000 0.977 257 G CA -0.035 45.068 45.100 0.005 0.000 0.641 257 G HN 0.671 nan 8.290 nan 0.000 0.533 258 Q N -1.420 118.393 119.800 0.021 0.000 2.407 258 Q HA -0.195 4.144 4.340 -0.000 0.000 0.367 258 Q C -1.163 174.858 176.000 0.034 0.000 1.337 258 Q CA 0.685 56.509 55.803 0.035 0.000 1.105 258 Q CB -0.294 28.461 28.738 0.027 0.000 1.242 258 Q HN 0.549 nan 8.270 nan 0.000 0.311 259 P HA -0.079 nan 4.420 nan 0.000 0.231 259 P C 0.269 177.573 177.300 0.007 0.000 1.168 259 P CA 0.939 64.045 63.100 0.010 0.000 0.779 259 P CB 0.394 32.096 31.700 0.003 0.000 0.844 260 L N 1.332 122.592 121.223 0.061 0.000 2.935 260 L HA 0.365 4.705 4.340 -0.000 0.000 0.243 260 L C -2.187 174.876 176.870 0.321 0.000 1.313 260 L CA -2.110 52.792 54.840 0.103 0.000 0.969 260 L CB 0.492 42.621 42.059 0.118 0.000 1.320 260 L HN -0.122 nan 8.230 nan 0.000 0.511 261 P HA -0.009 nan 4.420 nan 0.000 0.271 261 P C 0.543 178.026 177.300 0.304 0.000 1.244 261 P CA -0.061 63.156 63.100 0.195 0.000 0.793 261 P CB 0.669 32.429 31.700 0.099 0.000 0.984 262 C N -1.514 117.873 119.300 0.145 0.000 4.356 262 C HA -0.121 4.339 4.460 -0.000 0.000 0.296 262 C C 2.131 177.056 174.990 -0.109 0.000 1.424 262 C CA 0.268 59.338 59.018 0.086 0.000 2.000 262 C CB -3.248 24.587 27.740 0.158 0.000 1.262 262 C HN 0.745 nan 8.230 nan 0.000 0.789 263 A N 0.077 122.693 122.820 -0.341 0.000 2.042 263 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 263 A C 1.780 178.870 177.584 -0.823 0.000 1.167 263 A CA 2.599 53.962 52.037 -1.125 0.000 0.649 263 A CB -0.380 18.223 19.000 -0.661 0.000 0.809 263 A HN 0.741 nan 8.150 nan 0.000 0.457 264 D N -0.830 119.337 120.400 -0.387 0.000 2.234 264 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 264 D C 1.806 177.987 176.300 -0.199 0.000 0.962 264 D CA 0.777 54.627 54.000 -0.250 0.000 0.855 264 D CB -0.048 40.670 40.800 -0.137 0.000 0.951 264 D HN 0.469 nan 8.370 nan 0.000 0.500 265 L N -0.090 121.035 121.223 -0.162 0.000 2.102 265 L HA 0.068 4.408 4.340 -0.000 0.000 0.202 265 L C 2.376 179.242 176.870 -0.007 0.000 1.076 265 L CA 0.491 55.299 54.840 -0.053 0.000 0.761 265 L CB -0.700 41.372 42.059 0.021 0.000 0.921 265 L HN 0.364 nan 8.230 nan 0.000 0.444 266 W N 0.015 121.288 121.300 -0.045 0.000 2.518 266 W HA 0.005 4.665 4.660 -0.000 0.000 0.273 266 W C 1.543 178.018 176.519 -0.073 0.000 1.247 266 W CA 0.030 57.338 57.345 -0.061 0.000 1.288 266 W CB -0.636 28.781 29.460 -0.072 0.000 1.107 266 W HN 0.066 nan 8.180 nan 0.000 0.586 267 L N 1.995 122.982 121.223 -0.392 0.000 2.450 267 L HA 0.004 4.344 4.340 -0.000 0.000 0.224 267 L C 2.606 179.438 176.870 -0.062 0.000 1.149 267 L CA 1.439 56.090 54.840 -0.316 0.000 0.816 267 L CB -0.898 40.840 42.059 -0.535 0.000 0.932 267 L HN 0.136 nan 8.230 nan 0.000 0.449 268 G N -1.205 107.572 108.800 -0.039 0.000 2.985 268 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.209 268 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.209 268 G C 0.490 175.393 174.900 0.005 0.000 1.165 268 G CA -0.189 44.905 45.100 -0.011 0.000 0.776 268 G HN 0.214 nan 8.290 nan 0.000 0.541 269 N N 0.636 119.364 118.700 0.047 0.000 2.444 269 N HA 0.378 5.117 4.740 -0.000 0.000 0.262 269 N C 1.358 176.900 175.510 0.054 0.000 0.974 269 N CA 0.108 53.179 53.050 0.035 0.000 0.933 269 N CB 1.759 40.283 38.487 0.061 0.000 1.137 269 N HN -0.071 nan 8.380 nan 0.000 0.498 270 A N 4.897 127.736 122.820 0.031 0.000 1.958 270 A HA -0.197 4.122 4.320 -0.000 0.000 0.221 270 A C 2.000 179.618 177.584 0.057 0.000 1.178 270 A CA 1.443 53.508 52.037 0.047 0.000 0.642 270 A CB -0.320 18.701 19.000 0.034 0.000 0.816 270 A HN 0.823 nan 8.150 nan 0.000 0.453 271 K N -0.731 119.693 120.400 0.041 0.000 2.113 271 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 271 K C 2.290 178.909 176.600 0.033 0.000 1.047 271 K CA 1.217 57.521 56.287 0.029 0.000 0.928 271 K CB -0.303 32.201 32.500 0.007 0.000 0.716 271 K HN 0.521 nan 8.250 nan 0.000 0.446 272 A N 0.943 123.799 122.820 0.059 0.000 1.872 272 A HA -0.134 4.185 4.320 -0.000 0.000 0.214 272 A C 2.258 179.901 177.584 0.098 0.000 1.187 272 A CA 2.082 54.169 52.037 0.083 0.000 0.614 272 A CB -0.955 18.197 19.000 0.254 0.000 0.826 272 A HN 0.472 nan 8.150 nan 0.000 0.442 273 T N -2.525 112.102 114.554 0.121 0.000 2.915 273 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 273 T C 1.961 176.772 174.700 0.185 0.000 1.071 273 T CA 1.647 63.854 62.100 0.178 0.000 1.132 273 T CB -0.484 68.524 68.868 0.234 0.000 0.878 273 T HN 0.265 nan 8.240 nan 0.000 0.479 274 S N 1.704 117.482 115.700 0.130 0.000 2.356 274 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 274 S C 2.027 176.708 174.600 0.135 0.000 1.032 274 S CA 1.483 59.752 58.200 0.116 0.000 1.005 274 S CB -0.397 62.851 63.200 0.080 0.000 0.867 274 S HN 0.790 nan 8.310 nan 0.000 0.449 275 E N 1.137 121.412 120.200 0.124 0.000 2.072 275 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 275 E C 1.915 178.686 176.600 0.286 0.000 0.985 275 E CA 0.809 57.307 56.400 0.162 0.000 0.801 275 E CB -0.202 29.530 29.700 0.053 0.000 0.750 275 E HN 0.417 nan 8.360 nan 0.000 0.452 276 L N 0.543 121.907 121.223 0.234 0.000 2.201 276 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 276 L C 2.420 179.509 176.870 0.365 0.000 1.105 276 L CA 0.927 55.967 54.840 0.334 0.000 0.775 276 L CB -0.279 41.905 42.059 0.208 0.000 0.913 276 L HN 0.243 nan 8.230 nan 0.000 0.440 277 Q N -0.405 119.563 119.800 0.279 0.000 2.576 277 Q HA -0.229 4.111 4.340 -0.000 0.000 0.218 277 Q C 1.782 177.848 176.000 0.110 0.000 0.983 277 Q CA 0.903 56.822 55.803 0.193 0.000 0.920 277 Q CB 0.070 28.895 28.738 0.146 0.000 0.973 277 Q HN 0.558 nan 8.270 nan 0.000 0.528 278 Q N -1.044 118.811 119.800 0.091 0.000 2.392 278 Q HA 0.209 4.549 4.340 -0.000 0.000 0.219 278 Q C 0.027 175.866 176.000 -0.268 0.000 0.895 278 Q CA 0.016 55.775 55.803 -0.073 0.000 0.929 278 Q CB 0.605 29.301 28.738 -0.069 0.000 1.077 278 Q HN 0.244 nan 8.270 nan 0.000 0.532 279 A N 1.375 124.063 122.820 -0.221 0.000 2.550 279 A HA -0.145 4.175 4.320 -0.000 0.000 0.263 279 A C 0.570 178.016 177.584 -0.229 0.000 1.065 279 A CA 0.379 52.229 52.037 -0.311 0.000 0.786 279 A CB 0.141 19.141 19.000 0.000 0.000 0.985 279 A HN 0.371 nan 8.150 nan 0.000 0.518 280 Q N 1.579 121.190 119.800 -0.316 0.000 2.245 280 Q HA 0.244 4.584 4.340 -0.000 0.000 0.201 280 Q C 0.471 176.419 176.000 -0.087 0.000 0.955 280 Q CA 0.977 56.694 55.803 -0.142 0.000 0.870 280 Q CB 0.266 28.923 28.738 -0.134 0.000 0.945 280 Q HN 0.847 nan 8.270 nan 0.000 0.461 281 I N -0.454 119.954 120.570 -0.269 0.000 2.656 281 I HA 0.328 4.497 4.170 -0.000 0.000 0.292 281 I C -1.710 174.146 176.117 -0.435 0.000 1.144 281 I CA -1.129 59.945 61.300 -0.377 0.000 1.038 281 I CB 2.099 39.835 38.000 -0.441 0.000 1.244 281 I HN -0.341 nan 8.210 nan 0.000 0.420 282 V N 7.557 127.222 119.914 -0.415 0.000 2.407 282 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 282 V C -0.495 175.320 176.094 -0.465 0.000 1.018 282 V CA -0.595 61.457 62.300 -0.414 0.000 0.842 282 V CB 1.667 33.178 31.823 -0.519 0.000 0.996 282 V HN 0.466 nan 8.190 nan 0.000 0.426 283 V N 5.315 125.135 119.914 -0.155 0.000 2.311 283 V HA 0.389 4.509 4.120 -0.000 0.000 0.275 283 V C 0.069 176.170 176.094 0.012 0.000 1.022 283 V CA -0.414 61.896 62.300 0.016 0.000 0.830 283 V CB 1.238 33.275 31.823 0.357 0.000 1.012 283 V HN 0.924 nan 8.190 nan 0.000 0.452 284 Q N 4.636 124.374 119.800 -0.102 0.000 2.278 284 Q HA 0.634 4.974 4.340 -0.000 0.000 0.257 284 Q C -1.506 174.448 176.000 -0.077 0.000 0.928 284 Q CA -0.669 55.116 55.803 -0.031 0.000 0.932 284 Q CB 1.475 30.239 28.738 0.042 0.000 1.221 284 Q HN 0.704 nan 8.270 nan 0.000 0.434 285 L N 3.746 124.922 121.223 -0.078 0.000 2.307 285 L HA 0.680 5.020 4.340 -0.000 0.000 0.284 285 L C 0.697 177.521 176.870 -0.078 0.000 1.023 285 L CA 0.031 54.782 54.840 -0.149 0.000 0.810 285 L CB 1.613 43.553 42.059 -0.198 0.000 1.231 285 L HN 0.976 nan 8.230 nan 0.000 0.423 286 G N 2.597 111.343 108.800 -0.090 0.000 2.645 286 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.246 286 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.246 286 G C -0.165 174.722 174.900 -0.020 0.000 1.322 286 G CA -0.072 44.999 45.100 -0.049 0.000 0.898 286 G HN 1.047 nan 8.290 nan 0.000 0.573 287 S N -3.219 112.477 115.700 -0.007 0.000 3.497 287 S HA 0.701 5.171 4.470 -0.000 0.000 0.319 287 S C 0.485 175.088 174.600 0.006 0.000 1.195 287 S CA 0.709 58.913 58.200 0.007 0.000 1.118 287 S CB 0.545 63.746 63.200 0.002 0.000 1.495 287 S HN 2.427 nan 8.310 nan 0.000 0.655 288 S N 1.381 117.083 115.700 0.003 0.000 3.336 288 S HA -0.097 4.373 4.470 -0.000 0.000 0.362 288 S C -0.176 174.423 174.600 -0.001 0.000 0.941 288 S CA 0.053 58.253 58.200 -0.001 0.000 1.297 288 S CB -1.693 61.505 63.200 -0.003 0.000 0.915 288 S HN 0.538 nan 8.310 nan 0.000 0.527 289 L N 1.283 122.510 121.223 0.008 0.000 2.461 289 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 289 L C 1.768 178.636 176.870 -0.004 0.000 1.197 289 L CA 0.861 55.708 54.840 0.012 0.000 0.836 289 L CB 0.093 42.172 42.059 0.035 0.000 1.105 289 L HN 0.431 nan 8.230 nan 0.000 0.477 290 T N 0.786 115.332 114.554 -0.013 0.000 3.021 290 T HA 0.151 4.500 4.350 -0.000 0.000 0.245 290 T C 0.753 175.435 174.700 -0.030 0.000 1.028 290 T CA 0.614 62.699 62.100 -0.027 0.000 1.139 290 T CB 0.219 69.065 68.868 -0.036 0.000 0.884 290 T HN 0.719 nan 8.240 nan 0.000 0.457 291 G N 0.470 109.249 108.800 -0.034 0.000 2.425 291 G HA2 0.393 4.353 3.960 -0.000 0.000 0.302 291 G HA3 0.393 4.353 3.960 -0.000 0.000 0.302 291 G C 0.607 175.487 174.900 -0.033 0.000 1.159 291 G CA -0.478 44.595 45.100 -0.044 0.000 0.865 291 G HN 0.114 nan 8.290 nan 0.000 0.515 292 K N 0.251 120.631 120.400 -0.034 0.000 2.032 292 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 292 K C 2.520 179.112 176.600 -0.014 0.000 1.048 292 K CA 1.125 57.399 56.287 -0.021 0.000 0.927 292 K CB 0.012 32.499 32.500 -0.021 0.000 0.712 292 K HN 0.319 nan 8.250 nan 0.000 0.441 293 R N 0.465 120.946 120.500 -0.033 0.000 2.148 293 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 293 R C 1.996 178.303 176.300 0.011 0.000 1.088 293 R CA 0.537 56.621 56.100 -0.026 0.000 0.985 293 R CB -0.373 29.875 30.300 -0.087 0.000 0.880 293 R HN 0.207 nan 8.270 nan 0.000 0.451 294 L N -0.107 121.109 121.223 -0.010 0.000 2.044 294 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 294 L C 1.548 178.501 176.870 0.139 0.000 1.075 294 L CA 1.693 56.572 54.840 0.065 0.000 0.747 294 L CB -0.552 41.510 42.059 0.005 0.000 0.903 294 L HN 0.152 nan 8.230 nan 0.000 0.435 295 L N -0.765 120.495 121.223 0.061 0.000 2.191 295 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 295 L C 2.614 179.498 176.870 0.024 0.000 1.103 295 L CA 1.161 56.023 54.840 0.037 0.000 0.769 295 L CB -0.463 41.598 42.059 0.004 0.000 0.908 295 L HN 0.410 nan 8.230 nan 0.000 0.438 296 Q N -1.366 118.459 119.800 0.042 0.000 2.083 296 Q HA -0.231 4.109 4.340 -0.000 0.000 0.198 296 Q C 1.984 178.016 176.000 0.053 0.000 0.969 296 Q CA 1.675 57.496 55.803 0.031 0.000 0.838 296 Q CB -0.230 28.529 28.738 0.035 0.000 0.900 296 Q HN 0.534 nan 8.270 nan 0.000 0.436 297 W N 1.442 122.732 121.300 -0.015 0.000 2.338 297 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 297 W C 2.193 178.744 176.519 0.054 0.000 1.212 297 W CA 1.706 59.057 57.345 0.010 0.000 1.264 297 W CB -0.094 29.355 29.460 -0.017 0.000 1.142 297 W HN 0.111 nan 8.180 nan 0.000 0.512 298 Q N 0.297 120.000 119.800 -0.160 0.000 2.172 298 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 298 Q C 2.139 178.018 176.000 -0.201 0.000 0.964 298 Q CA 1.724 57.357 55.803 -0.283 0.000 0.855 298 Q CB -0.524 28.216 28.738 0.004 0.000 0.918 298 Q HN 0.336 nan 8.270 nan 0.000 0.444 299 A N 0.490 123.220 122.820 -0.150 0.000 2.015 299 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 299 A C 2.159 179.641 177.584 -0.170 0.000 1.163 299 A CA 1.887 53.832 52.037 -0.154 0.000 0.646 299 A CB -0.330 18.598 19.000 -0.121 0.000 0.806 299 A HN 0.537 nan 8.150 nan 0.000 0.448 300 S N -1.122 114.467 115.700 -0.184 0.000 2.497 300 S HA -0.000 4.470 4.470 -0.000 0.000 0.221 300 S C 1.078 175.596 174.600 -0.137 0.000 1.037 300 S CA 0.328 58.444 58.200 -0.140 0.000 0.920 300 S CB -1.535 61.615 63.200 -0.083 0.000 0.800 300 S HN 1.036 nan 8.310 nan 0.000 0.505 301 C N 2.164 121.271 119.300 -0.321 0.000 2.634 301 C HA 0.471 4.931 4.460 -0.000 0.000 0.417 301 C C 0.471 175.446 174.990 -0.025 0.000 1.334 301 C CA -0.427 58.408 59.018 -0.306 0.000 1.829 301 C CB -0.902 26.306 27.740 -0.886 0.000 2.665 301 C HN 0.602 nan 8.230 nan 0.000 0.614 302 E N 3.320 123.529 120.200 0.016 0.000 3.312 302 E HA 0.347 4.697 4.350 -0.000 0.000 0.215 302 E C -2.051 174.587 176.600 0.063 0.000 1.160 302 E CA -1.119 55.326 56.400 0.075 0.000 1.267 302 E CB 0.314 30.049 29.700 0.058 0.000 1.361 302 E HN 0.735 nan 8.360 nan 0.000 0.433 303 P HA 0.029 nan 4.420 nan 0.000 0.272 303 P C 0.546 177.880 177.300 0.056 0.000 1.240 303 P CA -0.168 62.942 63.100 0.017 0.000 0.791 303 P CB 0.990 32.668 31.700 -0.037 0.000 0.978 304 E N -0.204 120.033 120.200 0.062 0.000 2.106 304 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 304 E C -0.031 176.623 176.600 0.090 0.000 0.984 304 E CA 1.058 57.533 56.400 0.125 0.000 0.806 304 E CB 0.329 30.171 29.700 0.237 0.000 0.750 304 E HN 0.517 nan 8.360 nan 0.000 0.458 305 E N -1.308 118.866 120.200 -0.042 0.000 2.367 305 E HA 0.250 4.600 4.350 -0.000 0.000 0.273 305 E C -1.713 174.893 176.600 0.009 0.000 0.903 305 E CA -0.754 55.637 56.400 -0.015 0.000 0.764 305 E CB 1.862 31.495 29.700 -0.111 0.000 1.252 305 E HN -0.014 nan 8.360 nan 0.000 0.446 306 Y N 1.449 121.789 120.300 0.066 0.000 2.326 306 Y HA 0.353 4.903 4.550 -0.000 0.000 0.329 306 Y C -1.775 174.302 175.900 0.295 0.000 0.973 306 Y CA -1.002 57.114 58.100 0.026 0.000 1.162 306 Y CB 0.851 39.188 38.460 -0.204 0.000 1.147 306 Y HN 0.463 nan 8.280 nan 0.000 0.456 307 W N 7.474 128.688 121.300 -0.143 0.000 2.478 307 W HA 0.607 5.266 4.660 -0.001 0.000 0.318 307 W C -0.996 175.477 176.519 -0.077 0.000 1.062 307 W CA -1.576 55.725 57.345 -0.072 0.000 1.210 307 W CB 1.079 30.483 29.460 -0.093 0.000 1.325 307 W HN 0.378 nan 8.180 nan 0.000 0.496 308 I N 3.740 124.395 120.570 0.143 0.000 2.355 308 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 308 I C -0.415 175.605 176.117 -0.163 0.000 0.999 308 I CA -0.866 60.442 61.300 0.013 0.000 1.163 308 I CB 1.100 39.143 38.000 0.071 0.000 1.316 308 I HN -0.109 nan 8.210 nan 0.000 0.454 309 V N 5.731 125.453 119.914 -0.319 0.000 2.370 309 V HA 0.480 4.600 4.120 -0.000 0.000 0.279 309 V C -0.356 175.556 176.094 -0.305 0.000 1.029 309 V CA -0.215 61.784 62.300 -0.501 0.000 0.870 309 V CB 1.303 32.476 31.823 -1.084 0.000 0.984 309 V HN 0.644 nan 8.190 nan 0.000 0.451 310 D N 2.618 122.891 120.400 -0.211 0.000 2.717 310 D HA 0.161 4.801 4.640 -0.000 0.000 0.223 310 D C -0.315 175.948 176.300 -0.061 0.000 1.240 310 D CA -0.437 53.493 54.000 -0.116 0.000 0.801 310 D CB 2.646 43.403 40.800 -0.071 0.000 1.556 310 D HN 0.474 nan 8.370 nan 0.000 0.462 311 D N 1.785 122.177 120.400 -0.013 0.000 2.348 311 D HA 0.139 4.779 4.640 -0.000 0.000 0.248 311 D C 0.104 176.500 176.300 0.160 0.000 1.142 311 D CA 0.216 54.260 54.000 0.073 0.000 0.904 311 D CB -0.238 40.594 40.800 0.055 0.000 0.901 311 D HN 0.339 nan 8.370 nan 0.000 0.523 312 I N 0.773 121.386 120.570 0.071 0.000 2.530 312 I HA 0.163 4.333 4.170 -0.000 0.000 0.297 312 I C 0.203 176.316 176.117 -0.006 0.000 1.011 312 I CA -0.880 60.462 61.300 0.070 0.000 1.107 312 I CB 1.546 39.575 38.000 0.048 0.000 1.285 312 I HN -0.154 nan 8.210 nan 0.000 0.436 313 E N 4.181 124.353 120.200 -0.046 0.000 2.409 313 E HA 0.439 4.789 4.350 -0.000 0.000 0.257 313 E C 0.172 176.741 176.600 -0.051 0.000 1.150 313 E CA 0.226 56.575 56.400 -0.085 0.000 0.942 313 E CB 0.428 30.054 29.700 -0.122 0.000 0.979 313 E HN 0.882 nan 8.360 nan 0.000 0.447 314 G N 0.810 109.580 108.800 -0.051 0.000 2.730 314 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.686 314 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.686 314 G C -0.761 174.124 174.900 -0.025 0.000 1.343 314 G CA -0.858 44.222 45.100 -0.034 0.000 0.826 314 G HN 0.475 nan 8.290 nan 0.000 0.582 315 R N -0.361 120.132 120.500 -0.012 0.000 2.522 315 R HA 0.294 4.633 4.340 -0.000 0.000 0.284 315 R C 0.958 177.255 176.300 -0.004 0.000 1.032 315 R CA 0.236 56.336 56.100 -0.000 0.000 1.049 315 R CB 0.284 30.600 30.300 0.026 0.000 0.956 315 R HN 0.432 nan 8.270 nan 0.000 0.422 316 L N 0.992 122.210 121.223 -0.008 0.000 2.858 316 L HA 0.160 4.500 4.340 -0.000 0.000 0.251 316 L C 0.137 176.990 176.870 -0.028 0.000 1.149 316 L CA -0.024 54.809 54.840 -0.011 0.000 0.955 316 L CB 0.314 42.370 42.059 -0.005 0.000 1.289 316 L HN 0.512 nan 8.230 nan 0.000 0.542 317 D N 1.261 121.629 120.400 -0.053 0.000 2.454 317 D HA 0.196 4.836 4.640 -0.000 0.000 0.225 317 D C -1.567 174.569 176.300 -0.273 0.000 1.081 317 D CA -2.154 51.763 54.000 -0.139 0.000 0.864 317 D CB 1.647 42.356 40.800 -0.151 0.000 1.040 317 D HN -0.110 nan 8.370 nan 0.000 0.517 318 P HA -0.019 nan 4.420 nan 0.000 0.223 318 P C 0.831 177.632 177.300 -0.831 0.000 1.151 318 P CA 0.392 63.231 63.100 -0.435 0.000 0.787 318 P CB 0.358 31.926 31.700 -0.220 0.000 0.788 319 A N -0.653 121.785 122.820 -0.637 0.000 2.218 319 A HA -0.014 4.306 4.320 -0.000 0.000 0.209 319 A C 0.399 177.617 177.584 -0.610 0.000 1.168 319 A CA 0.166 51.825 52.037 -0.630 0.000 0.804 319 A CB -1.067 17.634 19.000 -0.497 0.000 0.834 319 A HN 0.267 nan 8.150 nan 0.000 0.482 320 H N -0.969 117.967 119.070 -0.224 0.000 2.933 320 H HA -0.151 4.405 4.556 -0.000 0.000 0.301 320 H C -0.451 174.778 175.328 -0.166 0.000 1.280 320 H CA 0.872 56.824 56.048 -0.159 0.000 1.155 320 H CB -2.604 27.081 29.762 -0.129 0.000 1.379 320 H HN 0.795 nan 8.280 nan 0.000 0.419 321 H N 0.527 119.520 119.070 -0.128 0.000 2.757 321 H HA 0.202 4.757 4.556 -0.000 0.000 0.370 321 H C 1.298 176.624 175.328 -0.003 0.000 1.172 321 H CA 0.085 56.076 56.048 -0.096 0.000 1.426 321 H CB 0.692 30.338 29.762 -0.193 0.000 1.438 321 H HN 0.259 nan 8.280 nan 0.000 0.612 322 R N 1.054 121.663 120.500 0.181 0.000 2.489 322 R HA 0.319 4.659 4.340 -0.000 0.000 0.287 322 R C 0.226 176.629 176.300 0.172 0.000 1.053 322 R CA 0.925 57.109 56.100 0.140 0.000 1.036 322 R CB -0.169 30.206 30.300 0.123 0.000 0.966 322 R HN 0.918 nan 8.270 nan 0.000 0.432 323 G N 3.083 111.963 108.800 0.133 0.000 2.384 323 G HA2 0.038 3.998 3.960 -0.000 0.000 0.150 323 G HA3 0.038 3.998 3.960 -0.000 0.000 0.150 323 G C -1.533 173.376 174.900 0.015 0.000 1.269 323 G CA -0.854 44.338 45.100 0.153 0.000 1.094 323 G HN 0.590 nan 8.290 nan 0.000 0.467 324 R N -0.773 119.698 120.500 -0.050 0.000 2.707 324 R HA 0.757 5.097 4.340 -0.000 0.000 0.272 324 R C -1.129 175.087 176.300 -0.140 0.000 1.011 324 R CA -1.062 54.902 56.100 -0.227 0.000 0.893 324 R CB 2.369 32.297 30.300 -0.621 0.000 1.233 324 R HN 0.584 nan 8.270 nan 0.000 0.464 325 R N 2.342 122.763 120.500 -0.131 0.000 2.388 325 R HA 0.428 4.767 4.340 -0.000 0.000 0.314 325 R C -1.648 174.574 176.300 -0.131 0.000 0.959 325 R CA -0.321 55.721 56.100 -0.097 0.000 0.851 325 R CB 0.737 31.006 30.300 -0.052 0.000 1.168 325 R HN 0.639 nan 8.270 nan 0.000 0.472 326 L N 5.662 126.785 121.223 -0.167 0.000 2.333 326 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 326 L C -0.598 176.187 176.870 -0.142 0.000 1.004 326 L CA -1.158 53.588 54.840 -0.157 0.000 0.820 326 L CB 1.717 43.654 42.059 -0.203 0.000 1.247 326 L HN 0.499 nan 8.230 nan 0.000 0.416 327 I N 3.368 123.896 120.570 -0.070 0.000 2.342 327 I HA 0.717 4.887 4.170 -0.000 0.000 0.291 327 I C 0.328 176.458 176.117 0.020 0.000 1.010 327 I CA 0.244 61.521 61.300 -0.040 0.000 1.308 327 I CB 1.316 39.285 38.000 -0.051 0.000 1.400 327 I HN 0.727 nan 8.210 nan 0.000 0.488 328 A N 5.246 128.081 122.820 0.024 0.000 2.569 328 A HA 0.327 4.647 4.320 -0.000 0.000 0.292 328 A C -0.889 176.725 177.584 0.051 0.000 1.032 328 A CA -0.886 51.202 52.037 0.086 0.000 0.669 328 A CB 0.757 19.879 19.000 0.204 0.000 1.290 328 A HN 0.621 nan 8.150 nan 0.000 0.422 329 N N 1.063 119.805 118.700 0.070 0.000 2.468 329 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 329 N C 0.931 176.472 175.510 0.052 0.000 1.199 329 N CA -0.058 53.016 53.050 0.039 0.000 0.928 329 N CB 0.440 38.946 38.487 0.033 0.000 1.059 329 N HN 0.544 nan 8.380 nan 0.000 0.467 330 I N 3.607 124.175 120.570 -0.003 0.000 2.163 330 I HA -0.311 3.858 4.170 -0.000 0.000 0.243 330 I C 2.365 178.495 176.117 0.022 0.000 1.085 330 I CA 1.370 62.652 61.300 -0.029 0.000 1.347 330 I CB -0.307 37.639 38.000 -0.089 0.000 1.044 330 I HN 0.687 nan 8.210 nan 0.000 0.408 331 A N 0.635 123.460 122.820 0.008 0.000 1.873 331 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 331 A C 1.987 179.587 177.584 0.027 0.000 1.193 331 A CA 2.404 54.444 52.037 0.006 0.000 0.629 331 A CB -0.841 18.161 19.000 0.004 0.000 0.826 331 A HN 0.357 nan 8.150 nan 0.000 0.447 332 D N -1.689 118.740 120.400 0.047 0.000 2.116 332 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 332 D C 1.547 177.889 176.300 0.071 0.000 0.998 332 D CA 1.425 55.455 54.000 0.050 0.000 0.836 332 D CB -0.432 40.406 40.800 0.063 0.000 0.951 332 D HN 0.739 nan 8.370 nan 0.000 0.449 333 W N 1.062 122.324 121.300 -0.064 0.000 2.381 333 W HA -0.068 4.592 4.660 -0.000 0.000 0.301 333 W C 2.097 178.566 176.519 -0.084 0.000 1.205 333 W CA 1.003 58.324 57.345 -0.040 0.000 1.285 333 W CB -0.298 29.092 29.460 -0.116 0.000 1.133 333 W HN -0.064 nan 8.180 nan 0.000 0.521 334 L N 0.140 121.392 121.223 0.049 0.000 2.046 334 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 334 L C 2.307 179.100 176.870 -0.128 0.000 1.077 334 L CA 1.732 56.445 54.840 -0.212 0.000 0.747 334 L CB -0.938 40.951 42.059 -0.283 0.000 0.896 334 L HN -0.006 nan 8.230 nan 0.000 0.432 335 E N -0.185 119.972 120.200 -0.073 0.000 2.110 335 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 335 E C 1.987 178.515 176.600 -0.120 0.000 0.988 335 E CA 0.967 57.338 56.400 -0.049 0.000 0.804 335 E CB -0.006 29.678 29.700 -0.026 0.000 0.745 335 E HN 0.197 nan 8.360 nan 0.000 0.458 336 L N -0.012 121.068 121.223 -0.238 0.000 2.341 336 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 336 L C -0.018 176.383 176.870 -0.782 0.000 1.115 336 L CA 1.439 56.028 54.840 -0.418 0.000 0.820 336 L CB 0.039 41.854 42.059 -0.407 0.000 0.944 336 L HN 0.054 nan 8.230 nan 0.000 0.452 337 H N 0.265 118.927 119.070 -0.679 0.000 2.340 337 H HA 0.370 4.926 4.556 -0.000 0.000 0.233 337 H C -2.357 172.844 175.328 -0.211 0.000 1.435 337 H CA -2.586 52.934 56.048 -0.880 0.000 1.389 337 H CB -0.275 28.280 29.762 -2.012 0.000 1.491 337 H HN 0.109 nan 8.280 nan 0.000 0.518 338 P HA 0.077 nan 4.420 nan 0.000 0.268 338 P C 0.129 177.792 177.300 0.604 0.000 1.208 338 P CA -0.183 63.173 63.100 0.426 0.000 0.777 338 P CB 1.034 32.900 31.700 0.276 0.000 0.875 339 A N 1.607 124.622 122.820 0.326 0.000 2.332 339 A HA 0.342 4.662 4.320 -0.000 0.000 0.258 339 A C 0.233 177.766 177.584 -0.085 0.000 1.087 339 A CA -0.020 51.961 52.037 -0.093 0.000 0.802 339 A CB -0.167 18.551 19.000 -0.471 0.000 1.042 339 A HN 0.546 nan 8.150 nan 0.000 0.489 340 E N 0.719 120.790 120.200 -0.215 0.000 2.199 340 E HA 0.402 4.752 4.350 -0.000 0.000 0.269 340 E C -0.839 175.631 176.600 -0.216 0.000 0.899 340 E CA -0.514 55.764 56.400 -0.202 0.000 0.772 340 E CB 0.861 30.413 29.700 -0.247 0.000 1.155 340 E HN 0.482 nan 8.360 nan 0.000 0.408 341 K N 3.028 123.334 120.400 -0.156 0.000 2.524 341 K HA 0.115 4.435 4.320 -0.000 0.000 0.279 341 K C 0.007 176.529 176.600 -0.129 0.000 0.993 341 K CA 0.589 56.795 56.287 -0.134 0.000 1.030 341 K CB 0.524 32.969 32.500 -0.092 0.000 0.891 341 K HN 0.367 nan 8.250 nan 0.000 0.488 342 R N 1.854 122.285 120.500 -0.115 0.000 2.668 342 R HA 0.069 4.409 4.340 -0.000 0.000 0.272 342 R C -1.291 174.993 176.300 -0.027 0.000 1.019 342 R CA -0.948 55.110 56.100 -0.070 0.000 0.894 342 R CB 1.633 31.890 30.300 -0.070 0.000 1.228 342 R HN 0.475 nan 8.270 nan 0.000 0.460 343 Q N 3.122 122.922 119.800 0.001 0.000 2.286 343 Q HA 0.114 4.454 4.340 -0.000 0.000 0.290 343 Q C -2.208 173.839 176.000 0.079 0.000 1.049 343 Q CA -0.534 55.283 55.803 0.023 0.000 0.923 343 Q CB 0.631 29.385 28.738 0.027 0.000 1.183 343 Q HN 0.215 nan 8.270 nan 0.000 0.383 344 P HA -0.065 nan 4.420 nan 0.000 0.266 344 P C -0.125 177.231 177.300 0.093 0.000 1.195 344 P CA 0.172 63.302 63.100 0.050 0.000 0.768 344 P CB 0.225 31.890 31.700 -0.058 0.000 0.838 345 W N 1.417 122.722 121.300 0.008 0.000 2.915 345 W HA 0.210 4.870 4.660 0.001 0.000 0.276 345 W C -0.696 175.801 176.519 -0.038 0.000 1.215 345 W CA -0.069 57.266 57.345 -0.017 0.000 1.514 345 W CB -0.921 28.527 29.460 -0.019 0.000 1.017 345 W HN 0.041 nan 8.180 nan 0.000 0.598 346 C N 3.029 121.861 119.300 -0.780 0.000 2.632 346 C HA 0.226 4.686 4.460 -0.000 0.000 0.415 346 C C 1.831 176.617 174.990 -0.340 0.000 1.332 346 C CA 0.263 58.842 59.018 -0.732 0.000 1.874 346 C CB 0.996 28.165 27.740 -0.953 0.000 2.596 346 C HN 0.213 nan 8.230 nan 0.000 0.590 347 V N 2.934 122.714 119.914 -0.224 0.000 3.219 347 V HA 0.051 4.171 4.120 -0.000 0.000 0.240 347 V C 1.862 177.855 176.094 -0.170 0.000 1.222 347 V CA 0.825 63.036 62.300 -0.149 0.000 1.181 347 V CB -0.203 31.580 31.823 -0.068 0.000 0.941 347 V HN 0.857 nan 8.190 nan 0.000 0.471 348 E N 0.050 120.141 120.200 -0.183 0.000 2.216 348 E HA 0.135 4.485 4.350 -0.000 0.000 0.192 348 E C 2.081 178.514 176.600 -0.278 0.000 0.973 348 E CA 0.388 56.679 56.400 -0.181 0.000 0.851 348 E CB 0.185 29.813 29.700 -0.119 0.000 0.804 348 E HN 0.475 nan 8.360 nan 0.000 0.477 349 I N 1.413 121.751 120.570 -0.387 0.000 2.179 349 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 349 I C -0.953 174.762 176.117 -0.670 0.000 1.088 349 I CA 1.024 61.939 61.300 -0.643 0.000 1.357 349 I CB -0.723 36.819 38.000 -0.763 0.000 1.051 349 I HN 0.107 nan 8.210 nan 0.000 0.409 350 P HA -0.154 nan 4.420 nan 0.000 0.222 350 P C 1.407 178.514 177.300 -0.321 0.000 1.147 350 P CA 1.256 64.117 63.100 -0.398 0.000 0.790 350 P CB -0.124 31.405 31.700 -0.285 0.000 0.780 351 R N -0.180 120.151 120.500 -0.281 0.000 2.073 351 R HA 0.000 4.340 4.340 -0.000 0.000 0.229 351 R C 2.164 178.342 176.300 -0.204 0.000 1.120 351 R CA 0.973 56.954 56.100 -0.198 0.000 0.967 351 R CB -0.789 29.420 30.300 -0.152 0.000 0.862 351 R HN 0.128 nan 8.270 nan 0.000 0.436 352 L N 0.369 121.431 121.223 -0.269 0.000 2.046 352 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 352 L C 2.679 179.402 176.870 -0.245 0.000 1.077 352 L CA 1.319 56.024 54.840 -0.225 0.000 0.747 352 L CB -0.620 41.302 42.059 -0.228 0.000 0.896 352 L HN 0.346 nan 8.230 nan 0.000 0.432 353 A N -0.527 121.987 122.820 -0.511 0.000 1.978 353 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 353 A C 2.263 179.786 177.584 -0.100 0.000 1.170 353 A CA 1.966 53.779 52.037 -0.374 0.000 0.636 353 A CB -0.454 18.227 19.000 -0.532 0.000 0.810 353 A HN 0.487 nan 8.150 nan 0.000 0.448 354 E N -0.692 119.431 120.200 -0.129 0.000 2.076 354 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 354 E C 2.216 178.794 176.600 -0.038 0.000 0.979 354 E CA 0.944 57.303 56.400 -0.069 0.000 0.807 354 E CB -0.085 29.564 29.700 -0.083 0.000 0.761 354 E HN 0.777 nan 8.360 nan 0.000 0.454 355 Q N 0.123 119.894 119.800 -0.048 0.000 2.084 355 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 355 Q C 2.177 178.183 176.000 0.011 0.000 0.978 355 Q CA 1.336 57.127 55.803 -0.020 0.000 0.844 355 Q CB -0.164 28.558 28.738 -0.025 0.000 0.898 355 Q HN 0.257 nan 8.270 nan 0.000 0.426 356 A N 0.879 123.721 122.820 0.037 0.000 1.892 356 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 356 A C 2.066 179.689 177.584 0.065 0.000 1.188 356 A CA 1.950 54.037 52.037 0.084 0.000 0.631 356 A CB -0.565 18.547 19.000 0.188 0.000 0.822 356 A HN 0.392 nan 8.150 nan 0.000 0.447 357 M N -0.109 119.527 119.600 0.060 0.000 2.086 357 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 357 M C 2.050 178.372 176.300 0.036 0.000 1.067 357 M CA 2.261 57.598 55.300 0.062 0.000 1.116 357 M CB -0.679 31.956 32.600 0.059 0.000 1.348 357 M HN 0.501 nan 8.290 nan 0.000 0.407 358 Q N -0.253 119.557 119.800 0.016 0.000 2.364 358 Q HA 0.060 4.400 4.340 -0.000 0.000 0.207 358 Q C 2.011 178.002 176.000 -0.014 0.000 0.970 358 Q CA 1.343 57.148 55.803 0.002 0.000 0.888 358 Q CB -0.546 28.190 28.738 -0.004 0.000 0.951 358 Q HN 0.668 nan 8.270 nan 0.000 0.469 359 A N 0.454 123.269 122.820 -0.008 0.000 1.898 359 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 359 A C 2.292 179.847 177.584 -0.048 0.000 1.181 359 A CA 1.293 53.322 52.037 -0.013 0.000 0.620 359 A CB -0.615 18.390 19.000 0.008 0.000 0.819 359 A HN 0.225 nan 8.150 nan 0.000 0.442 360 V N 0.537 120.408 119.914 -0.071 0.000 2.343 360 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 360 V C 2.395 178.258 176.094 -0.385 0.000 1.051 360 V CA 1.898 64.082 62.300 -0.194 0.000 1.036 360 V CB -0.803 30.937 31.823 -0.137 0.000 0.654 360 V HN 0.564 nan 8.190 nan 0.000 0.451 361 I N 0.881 121.312 120.570 -0.231 0.000 2.286 361 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 361 I C 2.686 178.737 176.117 -0.110 0.000 1.115 361 I CA 1.461 62.667 61.300 -0.158 0.000 1.392 361 I CB -0.699 37.314 38.000 0.022 0.000 1.065 361 I HN 0.306 nan 8.210 nan 0.000 0.418 362 A N 0.959 123.733 122.820 -0.077 0.000 2.076 362 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 362 A C 2.050 179.609 177.584 -0.041 0.000 1.160 362 A CA 1.344 53.355 52.037 -0.042 0.000 0.653 362 A CB -0.445 18.539 19.000 -0.026 0.000 0.801 362 A HN 0.432 nan 8.150 nan 0.000 0.455 363 R N -0.851 119.602 120.500 -0.079 0.000 2.586 363 R HA 0.120 4.460 4.340 -0.000 0.000 0.336 363 R C 1.331 177.611 176.300 -0.033 0.000 1.060 363 R CA 0.242 56.316 56.100 -0.043 0.000 1.079 363 R CB 0.158 30.433 30.300 -0.042 0.000 1.317 363 R HN 0.691 nan 8.270 nan 0.000 0.568 364 R N -0.339 120.130 120.500 -0.052 0.000 2.299 364 R HA 0.046 4.386 4.340 -0.000 0.000 0.197 364 R C 0.183 176.567 176.300 0.140 0.000 0.971 364 R CA 0.700 56.802 56.100 0.003 0.000 1.030 364 R CB 0.180 30.476 30.300 -0.007 0.000 0.932 364 R HN -0.030 nan 8.270 nan 0.000 0.477 365 D N 1.948 122.453 120.400 0.174 0.000 2.194 365 D HA 0.062 4.702 4.640 -0.000 0.000 0.204 365 D C 0.482 177.109 176.300 0.544 0.000 0.964 365 D CA 0.909 55.091 54.000 0.304 0.000 0.846 365 D CB -0.036 40.879 40.800 0.191 0.000 0.962 365 D HN 0.370 nan 8.370 nan 0.000 0.490 366 A N 0.722 123.762 122.820 0.367 0.000 2.546 366 A HA -0.046 4.273 4.320 -0.000 0.000 0.243 366 A C 0.028 177.836 177.584 0.374 0.000 1.063 366 A CA -0.165 52.051 52.037 0.300 0.000 0.757 366 A CB -0.383 18.721 19.000 0.173 0.000 0.991 366 A HN 0.116 nan 8.150 nan 0.000 0.503 367 F N 3.558 123.460 119.950 -0.079 0.000 2.625 367 F HA 0.376 4.903 4.527 -0.000 0.000 0.373 367 F C 1.054 176.705 175.800 -0.247 0.000 1.158 367 F CA 0.112 57.802 58.000 -0.516 0.000 1.354 367 F CB -0.626 37.969 39.000 -0.675 0.000 1.692 367 F HN 0.562 nan 8.300 nan 0.000 0.634 368 G N 0.989 109.701 108.800 -0.146 0.000 2.552 368 G HA2 0.287 4.247 3.960 -0.000 0.000 0.324 368 G HA3 0.287 4.247 3.960 -0.000 0.000 0.324 368 G C 0.489 175.325 174.900 -0.107 0.000 1.217 368 G CA -0.293 44.735 45.100 -0.120 0.000 0.989 368 G HN 0.477 nan 8.290 nan 0.000 0.490 369 E N -0.590 119.563 120.200 -0.079 0.000 2.216 369 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 369 E C 2.244 178.864 176.600 0.033 0.000 0.988 369 E CA 1.037 57.415 56.400 -0.037 0.000 0.834 369 E CB -0.071 29.605 29.700 -0.040 0.000 0.772 369 E HN 0.373 nan 8.360 nan 0.000 0.479 370 A N 1.380 124.225 122.820 0.042 0.000 1.865 370 A HA -0.277 4.042 4.320 -0.000 0.000 0.217 370 A C 2.194 179.848 177.584 0.116 0.000 1.191 370 A CA 1.907 53.980 52.037 0.060 0.000 0.623 370 A CB -0.589 18.437 19.000 0.044 0.000 0.826 370 A HN 0.223 nan 8.150 nan 0.000 0.444 371 Q N -0.701 119.196 119.800 0.163 0.000 2.030 371 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 371 Q C 2.058 178.254 176.000 0.328 0.000 0.986 371 Q CA 1.647 57.616 55.803 0.277 0.000 0.843 371 Q CB -0.670 28.326 28.738 0.430 0.000 0.904 371 Q HN 0.595 nan 8.270 nan 0.000 0.420 372 L N 0.325 121.758 121.223 0.349 0.000 2.089 372 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 372 L C 1.976 178.963 176.870 0.194 0.000 1.079 372 L CA 2.259 57.284 54.840 0.307 0.000 0.758 372 L CB -0.910 41.251 42.059 0.170 0.000 0.891 372 L HN 0.228 nan 8.230 nan 0.000 0.433 373 A N -1.253 121.651 122.820 0.139 0.000 1.858 373 A HA -0.304 4.016 4.320 -0.000 0.000 0.216 373 A C 2.250 179.891 177.584 0.094 0.000 1.190 373 A CA 1.732 53.826 52.037 0.095 0.000 0.617 373 A CB -1.189 17.852 19.000 0.068 0.000 0.827 373 A HN 0.742 nan 8.150 nan 0.000 0.443 374 H N -0.007 119.080 119.070 0.028 0.000 2.292 374 H HA -0.193 4.363 4.556 -0.000 0.000 0.292 374 H C 2.237 177.548 175.328 -0.028 0.000 1.100 374 H CA 2.499 58.546 56.048 -0.002 0.000 1.238 374 H CB -0.039 29.724 29.762 0.002 0.000 1.355 374 H HN 0.287 nan 8.280 nan 0.000 0.484 375 R N -0.073 120.386 120.500 -0.069 0.000 2.103 375 R HA -0.136 4.203 4.340 -0.000 0.000 0.242 375 R C 2.393 178.616 176.300 -0.129 0.000 1.142 375 R CA 1.139 57.158 56.100 -0.136 0.000 0.960 375 R CB -1.027 29.318 30.300 0.075 0.000 0.858 375 R HN 0.390 nan 8.270 nan 0.000 0.439 376 I N 1.428 122.009 120.570 0.017 0.000 2.237 376 I HA -0.455 3.715 4.170 -0.000 0.000 0.245 376 I C 2.417 178.461 176.117 -0.120 0.000 1.013 376 I CA 1.713 63.033 61.300 0.033 0.000 1.298 376 I CB -0.791 37.223 38.000 0.024 0.000 0.995 376 I HN 0.314 nan 8.210 nan 0.000 0.422 377 C N -0.547 118.622 119.300 -0.218 0.000 2.410 377 C HA -0.136 4.324 4.460 -0.000 0.000 0.281 377 C C 2.224 177.003 174.990 -0.352 0.000 1.318 377 C CA 0.454 59.298 59.018 -0.289 0.000 1.776 377 C CB -1.705 25.875 27.740 -0.267 0.000 1.942 377 C HN 0.495 nan 8.230 nan 0.000 0.508 378 D N 0.402 120.521 120.400 -0.467 0.000 2.263 378 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 378 D C 1.433 177.233 176.300 -0.833 0.000 0.971 378 D CA 1.460 55.045 54.000 -0.690 0.000 0.867 378 D CB -0.321 39.912 40.800 -0.946 0.000 0.929 378 D HN 0.699 nan 8.370 nan 0.000 0.492 379 Y N -0.001 120.135 120.300 -0.273 0.000 2.442 379 Y HA 0.262 4.811 4.550 -0.000 0.000 0.250 379 Y C 0.962 176.770 175.900 -0.154 0.000 1.113 379 Y CA -0.477 57.380 58.100 -0.405 0.000 1.273 379 Y CB -0.059 37.917 38.460 -0.807 0.000 1.138 379 Y HN -0.199 nan 8.280 nan 0.000 0.522 380 L N 4.676 125.847 121.223 -0.087 0.000 2.615 380 L HA -0.012 4.328 4.340 -0.000 0.000 0.284 380 L C -1.960 174.825 176.870 -0.142 0.000 1.237 380 L CA -1.241 53.518 54.840 -0.136 0.000 0.905 380 L CB -0.138 41.589 42.059 -0.554 0.000 1.149 380 L HN -0.036 nan 8.230 nan 0.000 0.499 381 P HA 0.138 nan 4.420 nan 0.000 0.276 381 P C -0.649 176.533 177.300 -0.197 0.000 1.252 381 P CA -0.578 62.140 63.100 -0.636 0.000 0.802 381 P CB 0.808 31.739 31.700 -1.281 0.000 1.035 382 E N 1.809 121.864 120.200 -0.242 0.000 2.290 382 E HA 0.024 4.374 4.350 -0.000 0.000 0.277 382 E C 0.270 176.816 176.600 -0.090 0.000 1.035 382 E CA 0.224 56.571 56.400 -0.088 0.000 0.873 382 E CB 0.276 29.921 29.700 -0.092 0.000 1.029 382 E HN 0.324 nan 8.360 nan 0.000 0.419 383 Q N -0.107 119.654 119.800 -0.065 0.000 2.502 383 Q HA -0.168 4.172 4.340 -0.000 0.000 0.273 383 Q C 0.250 176.136 176.000 -0.190 0.000 1.127 383 Q CA 1.184 56.909 55.803 -0.130 0.000 0.952 383 Q CB -2.263 26.422 28.738 -0.088 0.000 1.333 383 Q HN 0.714 nan 8.270 nan 0.000 0.494 384 G N -0.300 108.349 108.800 -0.253 0.000 2.828 384 G HA2 0.665 4.625 3.960 -0.000 0.000 0.244 384 G HA3 0.665 4.625 3.960 -0.000 0.000 0.244 384 G C -0.839 173.789 174.900 -0.453 0.000 1.365 384 G CA -0.231 44.763 45.100 -0.177 0.000 1.041 384 G HN 0.081 nan 8.290 nan 0.000 0.560 385 Q N -1.144 118.686 119.800 0.049 0.000 2.281 385 Q HA 0.471 4.811 4.340 -0.000 0.000 0.263 385 Q C -2.130 174.118 176.000 0.414 0.000 0.989 385 Q CA -0.721 55.189 55.803 0.179 0.000 0.852 385 Q CB 2.155 31.001 28.738 0.181 0.000 1.337 385 Q HN 0.503 nan 8.270 nan 0.000 0.418 386 L N 4.679 126.156 121.223 0.423 0.000 2.287 386 L HA 0.618 4.958 4.340 -0.000 0.000 0.287 386 L C -1.911 175.167 176.870 0.347 0.000 1.022 386 L CA -0.248 54.795 54.840 0.337 0.000 0.814 386 L CB 1.086 43.275 42.059 0.217 0.000 1.217 386 L HN 0.644 nan 8.230 nan 0.000 0.420 387 F N 5.845 125.912 119.950 0.195 0.000 2.388 387 F HA 0.602 5.128 4.527 -0.000 0.000 0.358 387 F C -0.791 175.071 175.800 0.104 0.000 1.122 387 F CA -0.525 57.571 58.000 0.159 0.000 1.056 387 F CB 1.507 40.583 39.000 0.127 0.000 1.155 387 F HN 0.343 nan 8.300 nan 0.000 0.461 388 V N 6.878 126.458 119.914 -0.557 0.000 2.483 388 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 388 V C 0.326 176.062 176.094 -0.597 0.000 1.035 388 V CA -0.141 61.933 62.300 -0.377 0.000 0.896 388 V CB 1.243 32.945 31.823 -0.202 0.000 0.986 388 V HN 0.922 nan 8.190 nan 0.000 0.447 389 G N 4.524 113.152 108.800 -0.287 0.000 2.580 389 G HA2 0.249 4.209 3.960 -0.000 0.000 0.278 389 G HA3 0.249 4.209 3.960 -0.000 0.000 0.278 389 G C 0.128 174.936 174.900 -0.154 0.000 1.212 389 G CA -0.627 44.356 45.100 -0.195 0.000 0.939 389 G HN 0.743 nan 8.290 nan 0.000 0.513 390 N N -0.788 117.854 118.700 -0.098 0.000 2.292 390 N HA 0.229 4.969 4.740 -0.000 0.000 0.278 390 N C 1.156 176.624 175.510 -0.069 0.000 1.289 390 N CA 0.443 53.447 53.050 -0.077 0.000 0.934 390 N CB 0.284 38.738 38.487 -0.056 0.000 1.069 390 N HN 0.663 nan 8.380 nan 0.000 0.513 391 S N -1.190 114.468 115.700 -0.071 0.000 3.762 391 S HA -0.233 4.236 4.470 -0.000 0.000 0.627 391 S C 1.534 176.081 174.600 -0.090 0.000 2.389 391 S CA 0.812 58.953 58.200 -0.097 0.000 3.978 391 S CB -1.308 61.838 63.200 -0.090 0.000 0.234 391 S HN 0.474 nan 8.310 nan 0.000 0.960 392 L N 0.766 121.937 121.223 -0.088 0.000 2.012 392 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 392 L C 2.606 179.446 176.870 -0.050 0.000 1.073 392 L CA 2.097 56.897 54.840 -0.068 0.000 0.748 392 L CB -0.720 41.305 42.059 -0.057 0.000 0.891 392 L HN 0.606 nan 8.230 nan 0.000 0.431 393 V N -0.347 119.541 119.914 -0.044 0.000 2.250 393 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 393 V C 2.467 178.536 176.094 -0.043 0.000 1.060 393 V CA 2.248 64.528 62.300 -0.034 0.000 1.030 393 V CB -0.077 31.727 31.823 -0.031 0.000 0.643 393 V HN 0.318 nan 8.190 nan 0.000 0.445 394 V N -0.087 119.789 119.914 -0.064 0.000 2.407 394 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 394 V C 2.640 178.701 176.094 -0.054 0.000 1.055 394 V CA 2.667 64.924 62.300 -0.071 0.000 1.049 394 V CB -0.609 31.158 31.823 -0.094 0.000 0.662 394 V HN 0.619 nan 8.190 nan 0.000 0.455 395 R N -0.724 119.746 120.500 -0.051 0.000 2.075 395 R HA -0.004 4.335 4.340 -0.000 0.000 0.232 395 R C 2.273 178.554 176.300 -0.032 0.000 1.126 395 R CA 1.758 57.832 56.100 -0.044 0.000 0.963 395 R CB -0.340 29.931 30.300 -0.048 0.000 0.858 395 R HN 0.461 nan 8.270 nan 0.000 0.435 396 L N 0.264 121.472 121.223 -0.025 0.000 2.027 396 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 396 L C 2.297 179.170 176.870 0.005 0.000 1.074 396 L CA 1.295 56.132 54.840 -0.006 0.000 0.745 396 L CB -0.377 41.683 42.059 0.002 0.000 0.898 396 L HN 0.209 nan 8.230 nan 0.000 0.433 397 I N 0.041 120.609 120.570 -0.003 0.000 2.454 397 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 397 I C 2.075 178.184 176.117 -0.014 0.000 1.156 397 I CA 1.366 62.663 61.300 -0.004 0.000 1.433 397 I CB -0.343 37.647 38.000 -0.016 0.000 1.082 397 I HN 0.345 nan 8.210 nan 0.000 0.432 398 D N 0.992 121.378 120.400 -0.024 0.000 2.149 398 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 398 D C 2.108 178.391 176.300 -0.027 0.000 0.972 398 D CA 1.386 55.367 54.000 -0.031 0.000 0.835 398 D CB 0.215 40.990 40.800 -0.042 0.000 0.966 398 D HN 0.268 nan 8.370 nan 0.000 0.476 399 A N -0.417 122.389 122.820 -0.022 0.000 1.943 399 A HA 0.179 4.499 4.320 -0.000 0.000 0.213 399 A C 2.076 179.672 177.584 0.019 0.000 1.181 399 A CA 0.445 52.470 52.037 -0.021 0.000 0.653 399 A CB -0.219 18.765 19.000 -0.028 0.000 0.833 399 A HN 0.321 nan 8.150 nan 0.000 0.451 400 L N -1.097 120.152 121.223 0.043 0.000 2.590 400 L HA 0.208 4.548 4.340 -0.000 0.000 0.227 400 L C 0.885 177.850 176.870 0.157 0.000 1.099 400 L CA 0.181 55.083 54.840 0.103 0.000 0.872 400 L CB 0.357 42.478 42.059 0.103 0.000 1.088 400 L HN 0.302 nan 8.230 nan 0.000 0.479 401 S N 0.088 115.824 115.700 0.060 0.000 2.503 401 S HA 0.303 4.773 4.470 -0.000 0.000 0.301 401 S C -0.649 173.935 174.600 -0.025 0.000 1.087 401 S CA -0.467 57.727 58.200 -0.009 0.000 1.042 401 S CB 1.869 65.046 63.200 -0.039 0.000 1.043 401 S HN 0.182 nan 8.310 nan 0.000 0.489 402 Q N 4.662 124.425 119.800 -0.061 0.000 2.466 402 Q HA 0.394 4.733 4.340 -0.000 0.000 0.242 402 Q C -1.108 174.845 176.000 -0.078 0.000 1.046 402 Q CA -0.458 55.316 55.803 -0.050 0.000 0.841 402 Q CB 0.473 29.187 28.738 -0.039 0.000 1.193 402 Q HN 0.679 nan 8.270 nan 0.000 0.508 403 L N 5.824 127.008 121.223 -0.065 0.000 2.367 403 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 403 L C -1.989 174.846 176.870 -0.060 0.000 1.129 403 L CA -2.020 52.770 54.840 -0.084 0.000 0.839 403 L CB 0.420 42.436 42.059 -0.072 0.000 1.133 403 L HN 0.437 nan 8.230 nan 0.000 0.453 404 P HA -0.037 nan 4.420 nan 0.000 0.262 404 P C -0.381 176.932 177.300 0.022 0.000 1.182 404 P CA -0.024 63.055 63.100 -0.035 0.000 0.761 404 P CB 0.518 32.190 31.700 -0.047 0.000 0.795 405 A N 3.838 126.668 122.820 0.018 0.000 2.511 405 A HA 0.427 4.747 4.320 -0.000 0.000 0.242 405 A C 1.572 179.181 177.584 0.041 0.000 1.069 405 A CA 0.558 52.611 52.037 0.026 0.000 0.763 405 A CB -1.070 17.942 19.000 0.019 0.000 1.001 405 A HN 0.888 nan 8.150 nan 0.000 0.498 406 G N 0.045 108.865 108.800 0.032 0.000 2.153 406 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 406 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 406 G C -0.018 174.899 174.900 0.028 0.000 0.994 406 G CA 0.825 45.934 45.100 0.015 0.000 0.698 406 G HN 1.281 nan 8.290 nan 0.000 0.521 407 Y N 1.164 121.428 120.300 -0.061 0.000 2.313 407 Y HA 0.539 5.089 4.550 -0.000 0.000 0.332 407 Y C -2.080 173.759 175.900 -0.101 0.000 1.071 407 Y CA -2.479 55.581 58.100 -0.068 0.000 1.169 407 Y CB 1.555 39.978 38.460 -0.062 0.000 1.192 407 Y HN 0.002 nan 8.280 nan 0.000 0.487 408 P HA 0.038 nan 4.420 nan 0.000 0.264 408 P C -1.214 176.004 177.300 -0.137 0.000 1.236 408 P CA 0.348 63.300 63.100 -0.246 0.000 0.811 408 P CB 0.295 31.839 31.700 -0.261 0.000 0.840 409 V N 6.213 125.968 119.914 -0.265 0.000 2.370 409 V HA 0.345 4.465 4.120 -0.000 0.000 0.283 409 V C -0.266 175.581 176.094 -0.411 0.000 1.023 409 V CA -0.290 61.900 62.300 -0.184 0.000 0.857 409 V CB 0.382 32.150 31.823 -0.091 0.000 0.985 409 V HN 0.398 nan 8.190 nan 0.000 0.443 410 Y N 2.261 122.627 120.300 0.110 0.000 2.621 410 Y HA 0.839 5.389 4.550 -0.000 0.000 0.334 410 Y C 0.542 176.438 175.900 -0.006 0.000 1.074 410 Y CA -0.498 57.688 58.100 0.143 0.000 1.149 410 Y CB 2.331 40.965 38.460 0.290 0.000 1.302 410 Y HN 0.738 nan 8.280 nan 0.000 0.501 411 S N -0.150 115.678 115.700 0.214 0.000 2.656 411 S HA 0.425 4.895 4.470 -0.000 0.000 0.265 411 S C -2.065 172.601 174.600 0.111 0.000 1.110 411 S CA -1.195 56.915 58.200 -0.151 0.000 0.821 411 S CB 1.141 64.237 63.200 -0.175 0.000 1.099 411 S HN 0.477 nan 8.310 nan 0.000 0.471 412 N N 0.757 119.472 118.700 0.025 0.000 2.841 412 N HA 0.427 5.166 4.740 -0.000 0.000 0.257 412 N C -0.638 174.879 175.510 0.013 0.000 1.396 412 N CA -0.486 52.612 53.050 0.081 0.000 0.823 412 N CB 0.833 39.400 38.487 0.133 0.000 1.162 412 N HN 0.367 nan 8.380 nan 0.000 0.503 413 R N 0.004 120.508 120.500 0.006 0.000 2.694 413 R HA 0.356 4.695 4.340 -0.000 0.000 0.334 413 R C 1.226 177.525 176.300 -0.001 0.000 1.143 413 R CA -0.208 55.885 56.100 -0.012 0.000 1.073 413 R CB 0.197 30.480 30.300 -0.028 0.000 1.366 413 R HN 0.444 nan 8.270 nan 0.000 0.577 414 G N -0.410 108.395 108.800 0.008 0.000 2.662 414 G HA2 0.055 4.015 3.960 -0.000 0.000 0.207 414 G HA3 0.055 4.015 3.960 -0.000 0.000 0.207 414 G C 0.859 175.763 174.900 0.006 0.000 1.154 414 G CA 0.612 45.716 45.100 0.008 0.000 0.837 414 G HN 0.297 nan 8.290 nan 0.000 0.580 415 A N -0.368 122.455 122.820 0.006 0.000 2.431 415 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 415 A C 1.317 178.901 177.584 0.001 0.000 1.230 415 A CA 1.063 53.101 52.037 0.002 0.000 0.928 415 A CB 0.013 19.008 19.000 -0.008 0.000 1.006 415 A HN 0.653 nan 8.150 nan 0.000 0.520 416 S N -0.419 115.281 115.700 0.000 0.000 3.521 416 S HA -0.165 4.304 4.470 -0.000 0.000 0.362 416 S C 0.831 175.422 174.600 -0.014 0.000 1.044 416 S CA 0.501 58.696 58.200 -0.008 0.000 1.091 416 S CB -1.754 61.441 63.200 -0.009 0.000 0.908 416 S HN 1.390 nan 8.310 nan 0.000 0.473 417 G N 0.733 109.521 108.800 -0.021 0.000 2.378 417 G HA2 0.446 4.406 3.960 -0.000 0.000 0.255 417 G HA3 0.446 4.406 3.960 -0.000 0.000 0.255 417 G C 0.962 175.793 174.900 -0.115 0.000 1.270 417 G CA -0.403 44.659 45.100 -0.063 0.000 0.876 417 G HN 0.726 nan 8.290 nan 0.000 0.521 418 I N 0.357 120.847 120.570 -0.133 0.000 3.334 418 I HA 0.008 4.178 4.170 -0.000 0.000 0.282 418 I C 1.439 177.303 176.117 -0.422 0.000 1.313 418 I CA 0.615 61.821 61.300 -0.156 0.000 1.396 418 I CB -0.035 37.968 38.000 0.005 0.000 1.054 418 I HN 0.421 nan 8.210 nan 0.000 0.495 419 D N 1.829 121.820 120.400 -0.682 0.000 2.277 419 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 419 D C 1.490 177.375 176.300 -0.691 0.000 0.962 419 D CA 0.941 54.282 54.000 -1.099 0.000 0.865 419 D CB -0.152 40.002 40.800 -1.078 0.000 0.939 419 D HN 0.409 nan 8.370 nan 0.000 0.510 420 G N 0.217 108.540 108.800 -0.795 0.000 4.716 420 G HA2 0.336 4.296 3.960 -0.000 0.000 0.282 420 G HA3 0.336 4.296 3.960 -0.000 0.000 0.282 420 G C 0.899 175.479 174.900 -0.535 0.000 1.173 420 G CA -0.360 44.104 45.100 -1.061 0.000 0.913 420 G HN 0.155 nan 8.290 nan 0.000 0.566 421 L N -0.264 120.809 121.223 -0.251 0.000 2.095 421 L HA 0.122 4.461 4.340 -0.000 0.000 0.204 421 L C 2.653 179.481 176.870 -0.069 0.000 1.080 421 L CA 0.774 55.599 54.840 -0.025 0.000 0.759 421 L CB -0.145 41.979 42.059 0.109 0.000 0.914 421 L HN 0.265 nan 8.230 nan 0.000 0.439 422 L N -0.650 120.508 121.223 -0.109 0.000 2.093 422 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 422 L C 2.804 179.533 176.870 -0.236 0.000 1.085 422 L CA 1.461 56.213 54.840 -0.147 0.000 0.755 422 L CB -0.745 41.246 42.059 -0.113 0.000 0.904 422 L HN 0.367 nan 8.230 nan 0.000 0.435 423 S N -1.376 114.181 115.700 -0.238 0.000 2.436 423 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 423 S C 1.876 176.317 174.600 -0.266 0.000 1.014 423 S CA 1.181 59.229 58.200 -0.255 0.000 0.950 423 S CB -0.411 62.662 63.200 -0.212 0.000 0.784 423 S HN 0.335 nan 8.310 nan 0.000 0.504 424 T N 2.406 116.783 114.554 -0.294 0.000 2.857 424 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 424 T C 2.226 176.531 174.700 -0.658 0.000 1.048 424 T CA 1.140 63.023 62.100 -0.361 0.000 1.139 424 T CB -0.723 68.022 68.868 -0.204 0.000 0.874 424 T HN 0.605 nan 8.240 nan 0.000 0.455 425 A N 1.658 123.950 122.820 -0.880 0.000 1.902 425 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 425 A C 2.650 179.975 177.584 -0.432 0.000 1.181 425 A CA 1.834 53.356 52.037 -0.858 0.000 0.623 425 A CB -1.130 17.504 19.000 -0.610 0.000 0.818 425 A HN 0.500 nan 8.150 nan 0.000 0.443 426 A N -0.450 122.169 122.820 -0.335 0.000 1.902 426 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 426 A C 2.446 179.870 177.584 -0.267 0.000 1.181 426 A CA 1.983 53.872 52.037 -0.247 0.000 0.623 426 A CB -1.465 17.394 19.000 -0.235 0.000 0.818 426 A HN 0.774 nan 8.150 nan 0.000 0.443 427 G N -0.664 107.939 108.800 -0.329 0.000 2.440 427 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 427 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 427 G C 1.518 176.202 174.900 -0.359 0.000 1.154 427 G CA 1.228 46.104 45.100 -0.374 0.000 0.767 427 G HN 0.324 nan 8.290 nan 0.000 0.552 428 V N 1.304 121.000 119.914 -0.363 0.000 2.343 428 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 428 V C 2.869 178.812 176.094 -0.252 0.000 1.051 428 V CA 2.450 64.527 62.300 -0.372 0.000 1.036 428 V CB -0.130 31.450 31.823 -0.405 0.000 0.654 428 V HN 0.672 nan 8.190 nan 0.000 0.451 429 Q N 0.090 119.786 119.800 -0.173 0.000 2.331 429 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 429 Q C 2.003 177.964 176.000 -0.064 0.000 0.944 429 Q CA 1.326 57.083 55.803 -0.076 0.000 0.892 429 Q CB -0.378 28.346 28.738 -0.023 0.000 0.983 429 Q HN 0.452 nan 8.270 nan 0.000 0.482 430 R N -0.290 120.147 120.500 -0.106 0.000 2.240 430 R HA 0.236 4.575 4.340 -0.000 0.000 0.203 430 R C 1.778 178.061 176.300 -0.028 0.000 1.011 430 R CA 0.828 56.903 56.100 -0.043 0.000 1.007 430 R CB 0.004 30.267 30.300 -0.063 0.000 0.911 430 R HN 0.424 nan 8.270 nan 0.000 0.468 431 A N 0.383 123.124 122.820 -0.130 0.000 1.943 431 A HA -0.064 4.256 4.320 -0.000 0.000 0.213 431 A C 2.024 179.602 177.584 -0.011 0.000 1.181 431 A CA 1.252 53.220 52.037 -0.115 0.000 0.653 431 A CB 0.015 18.862 19.000 -0.254 0.000 0.833 431 A HN 0.329 nan 8.150 nan 0.000 0.451 432 S N -2.060 113.617 115.700 -0.038 0.000 2.492 432 S HA 0.379 4.849 4.470 -0.000 0.000 0.218 432 S C 1.409 176.017 174.600 0.013 0.000 1.016 432 S CA 1.013 59.209 58.200 -0.006 0.000 0.916 432 S CB -0.324 62.871 63.200 -0.010 0.000 0.791 432 S HN 1.851 nan 8.310 nan 0.000 0.513 433 G N 1.698 110.507 108.800 0.016 0.000 2.273 433 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.280 433 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.280 433 G C -0.236 174.681 174.900 0.028 0.000 1.047 433 G CA 0.363 45.482 45.100 0.030 0.000 0.869 433 G HN 0.590 nan 8.290 nan 0.000 0.502 434 K N 0.161 120.576 120.400 0.025 0.000 2.156 434 K HA 0.489 4.808 4.320 -0.000 0.000 0.254 434 K C -2.439 174.194 176.600 0.054 0.000 0.950 434 K CA -2.304 53.997 56.287 0.023 0.000 0.849 434 K CB 1.831 34.336 32.500 0.008 0.000 1.100 434 K HN -0.060 nan 8.250 nan 0.000 0.434 435 P HA -0.033 nan 4.420 nan 0.000 0.265 435 P C -1.008 176.381 177.300 0.148 0.000 1.187 435 P CA 0.214 63.365 63.100 0.085 0.000 0.766 435 P CB 0.442 32.078 31.700 -0.108 0.000 0.820 436 T N 3.161 117.896 114.554 0.301 0.000 2.937 436 T HA 0.337 4.687 4.350 -0.000 0.000 0.297 436 T C -0.827 174.140 174.700 0.446 0.000 0.991 436 T CA -0.408 61.878 62.100 0.310 0.000 0.990 436 T CB 0.678 69.666 68.868 0.199 0.000 0.991 436 T HN 0.115 nan 8.240 nan 0.000 0.440 437 L N 4.019 125.521 121.223 0.464 0.000 2.268 437 L HA 0.741 5.081 4.340 -0.000 0.000 0.289 437 L C -0.021 177.054 176.870 0.343 0.000 1.064 437 L CA -0.492 54.621 54.840 0.454 0.000 0.824 437 L CB -0.137 42.213 42.059 0.485 0.000 1.202 437 L HN 0.790 nan 8.230 nan 0.000 0.433 438 A N 6.971 129.958 122.820 0.278 0.000 2.249 438 A HA 0.710 5.029 4.320 -0.000 0.000 0.314 438 A C -0.486 177.209 177.584 0.185 0.000 1.290 438 A CA -0.415 51.791 52.037 0.281 0.000 0.893 438 A CB -0.046 19.092 19.000 0.230 0.000 1.165 438 A HN 0.683 nan 8.150 nan 0.000 0.530 439 I N 2.615 123.282 120.570 0.161 0.000 2.404 439 I HA 0.627 4.796 4.170 -0.000 0.000 0.293 439 I C -0.229 175.918 176.117 0.049 0.000 0.992 439 I CA -0.670 60.678 61.300 0.081 0.000 1.149 439 I CB 1.772 39.810 38.000 0.063 0.000 1.315 439 I HN 0.379 nan 8.210 nan 0.000 0.446 440 V N 3.787 123.713 119.914 0.019 0.000 3.216 440 V HA 0.742 4.861 4.120 -0.000 0.000 0.302 440 V C 0.115 176.201 176.094 -0.014 0.000 1.286 440 V CA -0.416 61.890 62.300 0.010 0.000 1.048 440 V CB 2.436 34.281 31.823 0.036 0.000 1.081 440 V HN 0.843 nan 8.190 nan 0.000 0.442 441 G N 0.639 109.440 108.800 0.002 0.000 2.543 441 G HA2 0.372 4.332 3.960 -0.000 0.000 0.290 441 G HA3 0.372 4.332 3.960 -0.000 0.000 0.290 441 G C 0.342 175.268 174.900 0.043 0.000 1.310 441 G CA 0.492 45.604 45.100 0.020 0.000 1.025 441 G HN 0.961 nan 8.290 nan 0.000 0.502 442 D N -1.299 119.167 120.400 0.110 0.000 2.162 442 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 442 D C 2.211 178.678 176.300 0.278 0.000 0.964 442 D CA 0.353 54.495 54.000 0.237 0.000 0.847 442 D CB -0.128 40.873 40.800 0.335 0.000 0.988 442 D HN 0.268 nan 8.370 nan 0.000 0.480 443 L N 0.739 122.080 121.223 0.197 0.000 2.083 443 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 443 L C 2.422 179.425 176.870 0.223 0.000 1.083 443 L CA 1.317 56.272 54.840 0.193 0.000 0.752 443 L CB -0.562 41.601 42.059 0.173 0.000 0.899 443 L HN 0.119 nan 8.230 nan 0.000 0.433 444 S N 0.313 116.120 115.700 0.178 0.000 2.356 444 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 444 S C 2.276 176.965 174.600 0.148 0.000 1.032 444 S CA 1.124 59.416 58.200 0.153 0.000 1.005 444 S CB -0.512 62.731 63.200 0.072 0.000 0.867 444 S HN 0.488 nan 8.310 nan 0.000 0.449 445 A N 2.101 124.985 122.820 0.107 0.000 1.859 445 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 445 A C 2.204 179.941 177.584 0.255 0.000 1.198 445 A CA 1.651 53.736 52.037 0.081 0.000 0.629 445 A CB -1.102 17.769 19.000 -0.216 0.000 0.830 445 A HN 0.448 nan 8.150 nan 0.000 0.446 446 L N -2.341 119.098 121.223 0.359 0.000 2.079 446 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 446 L C 2.614 179.612 176.870 0.212 0.000 1.081 446 L CA 1.750 56.756 54.840 0.278 0.000 0.752 446 L CB -0.581 41.596 42.059 0.195 0.000 0.896 446 L HN 0.568 nan 8.230 nan 0.000 0.433 447 Y N 0.360 120.718 120.300 0.098 0.000 2.181 447 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 447 Y C 2.040 177.971 175.900 0.052 0.000 1.146 447 Y CA 1.711 59.849 58.100 0.064 0.000 1.164 447 Y CB -0.038 38.448 38.460 0.043 0.000 0.982 447 Y HN 0.141 nan 8.280 nan 0.000 0.515 448 D N -0.721 119.838 120.400 0.266 0.000 2.501 448 D HA 0.007 4.647 4.640 -0.000 0.000 0.226 448 D C 1.764 178.131 176.300 0.110 0.000 1.198 448 D CA -0.018 54.066 54.000 0.140 0.000 0.830 448 D CB -0.343 40.465 40.800 0.012 0.000 1.014 448 D HN 0.293 nan 8.370 nan 0.000 0.496 449 L N 1.578 122.900 121.223 0.164 0.000 2.103 449 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 449 L C 1.550 178.492 176.870 0.121 0.000 1.080 449 L CA 2.005 56.952 54.840 0.179 0.000 0.764 449 L CB -0.728 41.470 42.059 0.232 0.000 0.890 449 L HN 0.171 nan 8.230 nan 0.000 0.435 450 N N -0.246 118.546 118.700 0.152 0.000 2.550 450 N HA -0.038 4.702 4.740 -0.000 0.000 0.186 450 N C 1.431 176.930 175.510 -0.017 0.000 1.110 450 N CA 1.083 54.239 53.050 0.177 0.000 0.912 450 N CB -0.546 38.195 38.487 0.424 0.000 0.968 450 N HN 0.371 nan 8.380 nan 0.000 0.448 451 A N 0.253 123.020 122.820 -0.088 0.000 2.206 451 A HA 0.184 4.503 4.320 -0.000 0.000 0.211 451 A C 2.013 179.398 177.584 -0.332 0.000 1.158 451 A CA 0.067 51.966 52.037 -0.229 0.000 0.761 451 A CB -0.683 18.195 19.000 -0.202 0.000 0.801 451 A HN 0.342 nan 8.150 nan 0.000 0.473 452 L N -0.967 120.001 121.223 -0.426 0.000 2.189 452 L HA -0.260 4.080 4.340 -0.000 0.000 0.214 452 L C 2.976 179.406 176.870 -0.734 0.000 1.097 452 L CA 0.992 55.505 54.840 -0.545 0.000 0.764 452 L CB -0.460 41.279 42.059 -0.533 0.000 0.900 452 L HN 0.473 nan 8.230 nan 0.000 0.436 453 A N 0.049 122.303 122.820 -0.943 0.000 1.933 453 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 453 A C 2.207 179.740 177.584 -0.085 0.000 1.175 453 A CA 1.353 53.219 52.037 -0.284 0.000 0.628 453 A CB -0.556 18.556 19.000 0.187 0.000 0.814 453 A HN 0.387 nan 8.150 nan 0.000 0.444 454 L N -0.617 120.475 121.223 -0.219 0.000 2.217 454 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 454 L C 2.052 178.843 176.870 -0.131 0.000 1.107 454 L CA 0.469 55.183 54.840 -0.209 0.000 0.783 454 L CB -0.289 41.538 42.059 -0.387 0.000 0.919 454 L HN 0.342 nan 8.230 nan 0.000 0.442 455 L N -0.652 120.487 121.223 -0.140 0.000 2.552 455 L HA -0.084 4.255 4.340 -0.000 0.000 0.227 455 L C 2.253 179.115 176.870 -0.014 0.000 1.146 455 L CA 0.495 55.286 54.840 -0.081 0.000 0.858 455 L CB -0.296 41.709 42.059 -0.091 0.000 0.969 455 L HN 0.221 nan 8.230 nan 0.000 0.451 456 R N -0.440 120.068 120.500 0.014 0.000 2.236 456 R HA 0.007 4.346 4.340 -0.000 0.000 0.208 456 R C 0.465 176.799 176.300 0.057 0.000 1.036 456 R CA 0.531 56.671 56.100 0.066 0.000 1.001 456 R CB 0.129 30.500 30.300 0.120 0.000 0.896 456 R HN 0.338 nan 8.270 nan 0.000 0.464 457 Q N 1.126 120.949 119.800 0.038 0.000 2.571 457 Q HA 0.232 4.572 4.340 -0.000 0.000 0.243 457 Q C -1.298 174.724 176.000 0.036 0.000 1.055 457 Q CA -0.374 55.457 55.803 0.046 0.000 0.815 457 Q CB 1.812 30.585 28.738 0.059 0.000 1.151 457 Q HN 0.032 nan 8.270 nan 0.000 0.519 458 V N -1.249 118.690 119.914 0.041 0.000 2.735 458 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 458 V C 0.737 176.865 176.094 0.057 0.000 1.061 458 V CA -0.642 61.683 62.300 0.042 0.000 0.913 458 V CB 1.936 33.782 31.823 0.037 0.000 1.005 458 V HN 0.539 nan 8.190 nan 0.000 0.428 459 S N 1.703 117.438 115.700 0.058 0.000 2.593 459 S HA 0.718 5.188 4.470 -0.000 0.000 0.217 459 S C 0.579 175.218 174.600 0.066 0.000 0.966 459 S CA 0.313 58.549 58.200 0.060 0.000 0.914 459 S CB -0.117 63.117 63.200 0.058 0.000 0.776 459 S HN 2.143 nan 8.310 nan 0.000 0.523 460 A N 1.263 124.131 122.820 0.080 0.000 2.597 460 A HA 0.688 5.008 4.320 -0.000 0.000 0.292 460 A C -3.252 174.418 177.584 0.144 0.000 1.057 460 A CA -1.671 50.428 52.037 0.103 0.000 0.674 460 A CB 0.374 19.426 19.000 0.087 0.000 1.278 460 A HN 0.092 nan 8.150 nan 0.000 0.416 461 P HA 0.268 nan 4.420 nan 0.000 0.264 461 P C -0.822 176.668 177.300 0.316 0.000 1.183 461 P CA 0.467 63.741 63.100 0.290 0.000 0.763 461 P CB 0.531 32.547 31.700 0.527 0.000 0.807 462 L N 3.912 125.262 121.223 0.212 0.000 2.381 462 L HA 0.389 4.729 4.340 -0.000 0.000 0.274 462 L C -0.822 176.096 176.870 0.080 0.000 0.988 462 L CA -0.855 54.101 54.840 0.193 0.000 0.824 462 L CB 2.074 44.192 42.059 0.098 0.000 1.263 462 L HN 0.028 nan 8.230 nan 0.000 0.410 463 V N 5.528 125.486 119.914 0.074 0.000 2.394 463 V HA 0.331 4.451 4.120 -0.000 0.000 0.282 463 V C -0.320 175.765 176.094 -0.015 0.000 1.031 463 V CA -0.531 61.695 62.300 -0.122 0.000 0.881 463 V CB 1.549 33.167 31.823 -0.343 0.000 0.982 463 V HN 0.503 nan 8.190 nan 0.000 0.451 464 L N 7.181 128.366 121.223 -0.064 0.000 2.264 464 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 464 L C -0.226 176.592 176.870 -0.086 0.000 1.039 464 L CA 0.278 55.093 54.840 -0.041 0.000 0.829 464 L CB 0.593 42.625 42.059 -0.046 0.000 1.211 464 L HN 0.486 nan 8.230 nan 0.000 0.427 465 I N 6.200 126.740 120.570 -0.049 0.000 2.301 465 I HA 0.214 4.383 4.170 -0.000 0.000 0.292 465 I C -0.506 175.564 176.117 -0.078 0.000 1.046 465 I CA -0.548 60.710 61.300 -0.069 0.000 1.282 465 I CB 1.175 39.172 38.000 -0.004 0.000 1.409 465 I HN 0.233 nan 8.210 nan 0.000 0.484 466 V N 7.833 127.668 119.914 -0.133 0.000 2.370 466 V HA 0.196 4.316 4.120 -0.000 0.000 0.279 466 V C 0.275 176.320 176.094 -0.081 0.000 1.029 466 V CA -0.647 61.547 62.300 -0.177 0.000 0.870 466 V CB 1.699 33.248 31.823 -0.457 0.000 0.984 466 V HN 0.362 nan 8.190 nan 0.000 0.451 467 V N 4.928 124.817 119.914 -0.041 0.000 2.339 467 V HA 0.247 4.367 4.120 -0.000 0.000 0.261 467 V C 0.601 176.725 176.094 0.050 0.000 1.058 467 V CA -0.418 61.877 62.300 -0.008 0.000 0.897 467 V CB 0.747 32.559 31.823 -0.019 0.000 1.052 467 V HN 0.830 nan 8.190 nan 0.000 0.480 468 N N 4.897 123.657 118.700 0.100 0.000 2.868 468 N HA 0.081 4.820 4.740 -0.000 0.000 0.252 468 N C 0.679 176.261 175.510 0.121 0.000 1.130 468 N CA -0.277 52.879 53.050 0.176 0.000 1.026 468 N CB 0.500 39.170 38.487 0.306 0.000 1.335 468 N HN 0.754 nan 8.380 nan 0.000 0.516 469 N N 1.760 120.513 118.700 0.088 0.000 2.346 469 N HA -0.024 4.716 4.740 -0.000 0.000 0.225 469 N C -0.092 175.460 175.510 0.069 0.000 1.144 469 N CA -0.350 52.738 53.050 0.064 0.000 0.837 469 N CB -0.526 37.985 38.487 0.041 0.000 1.069 469 N HN 0.212 nan 8.380 nan 0.000 0.487 470 N N 0.495 119.242 118.700 0.078 0.000 2.691 470 N HA -0.165 4.575 4.740 -0.000 0.000 0.277 470 N C 0.093 175.642 175.510 0.065 0.000 1.029 470 N CA 1.485 54.569 53.050 0.057 0.000 0.798 470 N CB -1.239 37.266 38.487 0.030 0.000 0.922 470 N HN 0.884 nan 8.380 nan 0.000 0.562 471 G N -0.873 107.979 108.800 0.086 0.000 2.354 471 G HA2 0.371 4.331 3.960 -0.000 0.000 0.582 471 G HA3 0.371 4.331 3.960 -0.000 0.000 0.582 471 G C 0.095 175.070 174.900 0.125 0.000 1.316 471 G CA -0.049 45.116 45.100 0.109 0.000 0.995 471 G HN 0.899 nan 8.290 nan 0.000 0.573 472 G N -0.181 108.729 108.800 0.183 0.000 3.209 472 G HA2 0.431 4.391 3.960 -0.000 0.000 0.274 472 G HA3 0.431 4.391 3.960 -0.000 0.000 0.274 472 G C 0.883 175.836 174.900 0.089 0.000 0.850 472 G CA 0.039 45.234 45.100 0.159 0.000 1.907 472 G HN 0.515 nan 8.290 nan 0.000 0.591 473 Q N 0.981 120.802 119.800 0.035 0.000 2.561 473 Q HA -0.119 4.221 4.340 -0.000 0.000 0.217 473 Q C 2.208 178.163 176.000 -0.076 0.000 0.980 473 Q CA 0.150 55.964 55.803 0.019 0.000 0.927 473 Q CB -0.108 28.642 28.738 0.021 0.000 0.980 473 Q HN 0.769 nan 8.270 nan 0.000 0.525 474 I N -0.319 120.104 120.570 -0.245 0.000 2.502 474 I HA -0.255 3.914 4.170 -0.000 0.000 0.258 474 I C 0.922 176.829 176.117 -0.351 0.000 1.172 474 I CA 1.224 62.297 61.300 -0.379 0.000 1.430 474 I CB -0.070 37.563 38.000 -0.611 0.000 1.086 474 I HN -0.036 nan 8.210 nan 0.000 0.440 475 F N -0.686 119.297 119.950 0.055 0.000 2.765 475 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 475 F C 2.382 178.177 175.800 -0.008 0.000 1.111 475 F CA 0.298 58.323 58.000 0.042 0.000 1.359 475 F CB -0.754 38.324 39.000 0.130 0.000 1.097 475 F HN -0.060 nan 8.300 nan 0.000 0.577 476 S N -0.027 115.738 115.700 0.109 0.000 2.501 476 S HA 0.030 4.500 4.470 -0.000 0.000 0.220 476 S C 1.902 176.517 174.600 0.025 0.000 0.997 476 S CA 0.200 58.435 58.200 0.058 0.000 0.919 476 S CB -0.038 63.191 63.200 0.047 0.000 0.778 476 S HN 0.332 nan 8.310 nan 0.000 0.523 477 L N 1.272 122.500 121.223 0.007 0.000 2.168 477 L HA 0.351 4.691 4.340 -0.000 0.000 0.203 477 L C 0.233 177.106 176.870 0.005 0.000 1.078 477 L CA 1.031 55.868 54.840 -0.005 0.000 0.780 477 L CB -0.220 41.820 42.059 -0.030 0.000 0.939 477 L HN 0.158 nan 8.230 nan 0.000 0.451 478 L N 2.181 123.417 121.223 0.022 0.000 2.453 478 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 478 L C -1.563 175.312 176.870 0.010 0.000 1.182 478 L CA -1.240 53.624 54.840 0.039 0.000 0.858 478 L CB 0.065 42.192 42.059 0.113 0.000 1.120 478 L HN 0.113 nan 8.230 nan 0.000 0.474 479 P HA 0.022 nan 4.420 nan 0.000 0.237 479 P C 0.124 177.387 177.300 -0.063 0.000 1.723 479 P CA -0.323 62.763 63.100 -0.024 0.000 0.882 479 P CB -0.766 30.927 31.700 -0.011 0.000 1.810 480 T N -0.701 113.782 114.554 -0.118 0.000 2.932 480 T HA 0.210 4.559 4.350 -0.000 0.000 0.312 480 T C -2.082 172.471 174.700 -0.244 0.000 1.071 480 T CA -1.391 60.535 62.100 -0.291 0.000 1.128 480 T CB -0.356 68.138 68.868 -0.624 0.000 0.984 480 T HN 0.076 nan 8.240 nan 0.000 0.549 481 P HA 0.214 nan 4.420 nan 0.000 0.282 481 P C 0.333 177.584 177.300 -0.082 0.000 1.274 481 P CA -0.341 62.692 63.100 -0.112 0.000 0.770 481 P CB 0.801 32.462 31.700 -0.066 0.000 0.867 482 Q N 1.104 120.880 119.800 -0.041 0.000 2.364 482 Q HA -0.128 4.212 4.340 -0.000 0.000 0.209 482 Q C 2.021 178.034 176.000 0.021 0.000 0.977 482 Q CA 1.361 57.157 55.803 -0.012 0.000 0.885 482 Q CB -0.146 28.590 28.738 -0.002 0.000 0.941 482 Q HN 0.493 nan 8.270 nan 0.000 0.464 483 S N 0.814 116.530 115.700 0.025 0.000 2.362 483 S HA -0.093 4.377 4.470 -0.000 0.000 0.221 483 S C 1.436 176.094 174.600 0.097 0.000 1.032 483 S CA 0.878 59.107 58.200 0.049 0.000 0.973 483 S CB 0.177 63.396 63.200 0.031 0.000 0.849 483 S HN 0.388 nan 8.310 nan 0.000 0.465 484 E N 0.846 121.121 120.200 0.124 0.000 2.476 484 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 484 E C 1.560 178.399 176.600 0.399 0.000 1.029 484 E CA -0.179 56.376 56.400 0.258 0.000 0.896 484 E CB -0.184 29.596 29.700 0.134 0.000 1.012 484 E HN 0.396 nan 8.360 nan 0.000 0.475 485 R N 2.305 122.944 120.500 0.233 0.000 2.171 485 R HA -0.231 4.108 4.340 -0.000 0.000 0.232 485 R C 2.138 178.607 176.300 0.281 0.000 1.116 485 R CA 2.359 58.578 56.100 0.198 0.000 0.901 485 R CB -0.366 29.970 30.300 0.060 0.000 0.850 485 R HN 0.189 nan 8.270 nan 0.000 0.431 486 E N -0.317 119.989 120.200 0.177 0.000 2.035 486 E HA -0.293 4.057 4.350 -0.000 0.000 0.204 486 E C 2.123 178.772 176.600 0.082 0.000 1.025 486 E CA 2.209 58.682 56.400 0.122 0.000 0.835 486 E CB -0.168 29.577 29.700 0.076 0.000 0.764 486 E HN 0.526 nan 8.360 nan 0.000 0.457 487 R N -0.839 119.688 120.500 0.046 0.000 2.153 487 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 487 R C 1.669 177.779 176.300 -0.316 0.000 1.072 487 R CA 1.266 57.263 56.100 -0.171 0.000 0.990 487 R CB -0.254 29.858 30.300 -0.314 0.000 0.889 487 R HN 0.134 nan 8.270 nan 0.000 0.452 488 F N -1.164 118.769 119.950 -0.028 0.000 2.695 488 F HA 0.315 4.841 4.527 -0.000 0.000 0.303 488 F C 0.750 176.268 175.800 -0.469 0.000 1.091 488 F CA -0.160 57.711 58.000 -0.214 0.000 1.300 488 F CB 0.485 39.332 39.000 -0.256 0.000 1.071 488 F HN -0.107 nan 8.300 nan 0.000 0.578 489 Y N -1.254 119.042 120.300 -0.005 0.000 2.886 489 Y HA 0.191 4.740 4.550 -0.000 0.000 0.244 489 Y C 1.838 177.703 175.900 -0.058 0.000 1.017 489 Y CA 0.128 58.107 58.100 -0.200 0.000 1.389 489 Y CB -0.324 38.033 38.460 -0.170 0.000 1.477 489 Y HN -0.260 nan 8.280 nan 0.000 0.466 490 L N -0.114 121.268 121.223 0.265 0.000 2.179 490 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 490 L C 0.470 177.435 176.870 0.159 0.000 1.096 490 L CA 0.427 55.429 54.840 0.271 0.000 0.779 490 L CB -0.634 41.548 42.059 0.205 0.000 0.922 490 L HN 0.223 nan 8.230 nan 0.000 0.443 491 M N 1.026 120.671 119.600 0.073 0.000 2.657 491 M HA -0.137 4.343 4.480 -0.000 0.000 0.175 491 M C -2.199 174.117 176.300 0.027 0.000 1.093 491 M CA -0.301 55.004 55.300 0.009 0.000 0.640 491 M CB -1.706 30.880 32.600 -0.023 0.000 1.157 491 M HN 0.008 nan 8.290 nan 0.000 0.812 492 P HA 0.032 nan 4.420 nan 0.000 0.271 492 P C -0.058 177.232 177.300 -0.016 0.000 1.220 492 P CA 0.241 63.353 63.100 0.019 0.000 0.768 492 P CB 0.774 32.485 31.700 0.019 0.000 0.848 493 Q N 1.247 121.031 119.800 -0.026 0.000 2.247 493 Q HA 0.078 4.418 4.340 -0.000 0.000 0.204 493 Q C 0.028 175.969 176.000 -0.098 0.000 0.872 493 Q CA -0.237 55.531 55.803 -0.059 0.000 0.951 493 Q CB -0.299 28.407 28.738 -0.053 0.000 1.099 493 Q HN 0.485 nan 8.270 nan 0.000 0.501 494 N N 0.826 119.465 118.700 -0.102 0.000 2.696 494 N HA -0.184 4.555 4.740 -0.000 0.000 0.271 494 N C -0.647 174.716 175.510 -0.246 0.000 0.997 494 N CA 0.460 53.416 53.050 -0.156 0.000 0.801 494 N CB -0.829 37.589 38.487 -0.114 0.000 0.913 494 N HN 0.067 nan 8.380 nan 0.000 0.557 495 V N 0.291 120.016 119.914 -0.316 0.000 3.158 495 V HA 0.551 4.671 4.120 -0.000 0.000 0.315 495 V C -0.149 175.621 176.094 -0.539 0.000 1.148 495 V CA -0.636 61.442 62.300 -0.371 0.000 1.042 495 V CB 2.575 34.206 31.823 -0.320 0.000 1.101 495 V HN 0.423 nan 8.190 nan 0.000 0.448 496 H N 0.575 119.472 119.070 -0.289 0.000 2.977 496 H HA 0.467 5.023 4.556 -0.000 0.000 0.350 496 H C -0.794 174.267 175.328 -0.445 0.000 1.238 496 H CA -0.579 55.329 56.048 -0.232 0.000 1.124 496 H CB 1.684 31.437 29.762 -0.016 0.000 1.866 496 H HN 0.514 nan 8.280 nan 0.000 0.550 497 F N -0.432 119.616 119.950 0.164 0.000 2.682 497 F HA 0.150 4.677 4.527 -0.000 0.000 0.308 497 F C 2.103 177.692 175.800 -0.352 0.000 1.093 497 F CA -0.045 57.965 58.000 0.016 0.000 1.244 497 F CB 0.558 39.638 39.000 0.134 0.000 1.052 497 F HN 0.533 nan 8.300 nan 0.000 0.573 498 E N 0.320 120.128 120.200 -0.653 0.000 2.033 498 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 498 E C 2.017 178.301 176.600 -0.526 0.000 1.011 498 E CA 1.833 57.515 56.400 -1.195 0.000 0.815 498 E CB -0.097 29.105 29.700 -0.830 0.000 0.755 498 E HN 0.432 nan 8.360 nan 0.000 0.451 499 H N -0.701 118.216 119.070 -0.255 0.000 2.387 499 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 499 H C 2.017 177.295 175.328 -0.085 0.000 1.099 499 H CA 1.311 57.273 56.048 -0.143 0.000 1.315 499 H CB -0.189 29.507 29.762 -0.109 0.000 1.380 499 H HN 0.317 nan 8.280 nan 0.000 0.513 500 A N 1.121 124.000 122.820 0.098 0.000 1.933 500 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 500 A C 2.690 180.409 177.584 0.225 0.000 1.175 500 A CA 1.483 53.635 52.037 0.191 0.000 0.628 500 A CB -0.622 18.551 19.000 0.288 0.000 0.814 500 A HN 0.440 nan 8.150 nan 0.000 0.444 501 A N -0.135 122.750 122.820 0.109 0.000 1.898 501 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 501 A C 2.502 180.127 177.584 0.069 0.000 1.181 501 A CA 1.855 53.961 52.037 0.114 0.000 0.620 501 A CB -1.005 18.027 19.000 0.053 0.000 0.819 501 A HN 1.021 nan 8.150 nan 0.000 0.442 502 A N -0.251 122.550 122.820 -0.032 0.000 1.933 502 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 502 A C 2.280 179.827 177.584 -0.061 0.000 1.175 502 A CA 2.021 54.025 52.037 -0.057 0.000 0.628 502 A CB -0.608 18.325 19.000 -0.111 0.000 0.814 502 A HN 0.708 nan 8.150 nan 0.000 0.444 503 M N -1.386 118.150 119.600 -0.107 0.000 2.108 503 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 503 M C 0.884 176.900 176.300 -0.474 0.000 1.066 503 M CA 1.936 57.056 55.300 -0.301 0.000 1.107 503 M CB -0.226 32.120 32.600 -0.423 0.000 1.356 503 M HN 0.295 nan 8.290 nan 0.000 0.406 504 F N 1.428 121.407 119.950 0.049 0.000 2.692 504 F HA 0.237 4.764 4.527 -0.000 0.000 0.303 504 F C 0.303 176.128 175.800 0.041 0.000 1.114 504 F CA 0.119 58.153 58.000 0.057 0.000 1.361 504 F CB -0.488 38.559 39.000 0.079 0.000 1.063 504 F HN 0.273 nan 8.300 nan 0.000 0.550 505 E N 0.839 121.091 120.200 0.086 0.000 2.340 505 E HA -0.211 4.139 4.350 -0.000 0.000 0.240 505 E C -0.674 175.972 176.600 0.076 0.000 1.154 505 E CA 0.119 56.553 56.400 0.057 0.000 0.717 505 E CB -1.716 28.013 29.700 0.048 0.000 1.250 505 E HN 0.401 nan 8.360 nan 0.000 0.386 506 L N 0.198 121.473 121.223 0.087 0.000 2.333 506 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 506 L C 0.388 177.288 176.870 0.050 0.000 1.010 506 L CA -1.167 53.721 54.840 0.081 0.000 0.818 506 L CB 1.282 43.409 42.059 0.114 0.000 1.306 506 L HN -0.134 nan 8.230 nan 0.000 0.430 507 K N 1.281 121.696 120.400 0.025 0.000 2.368 507 K HA 0.196 4.516 4.320 -0.000 0.000 0.282 507 K C -1.099 175.483 176.600 -0.029 0.000 1.035 507 K CA 0.235 56.503 56.287 -0.032 0.000 0.973 507 K CB 0.268 32.744 32.500 -0.040 0.000 0.957 507 K HN 0.256 nan 8.250 nan 0.000 0.474 508 Y N 2.881 123.002 120.300 -0.298 0.000 2.468 508 Y HA 0.378 4.928 4.550 -0.000 0.000 0.342 508 Y C -0.744 174.804 175.900 -0.587 0.000 1.021 508 Y CA -0.698 57.227 58.100 -0.291 0.000 1.079 508 Y CB 1.258 39.619 38.460 -0.166 0.000 1.226 508 Y HN 0.588 nan 8.280 nan 0.000 0.460 509 H N 5.016 123.628 119.070 -0.764 0.000 2.877 509 H HA 0.342 4.898 4.556 -0.000 0.000 0.347 509 H C -1.061 173.724 175.328 -0.906 0.000 1.042 509 H CA -0.856 54.798 56.048 -0.658 0.000 1.276 509 H CB 2.075 31.612 29.762 -0.375 0.000 1.681 509 H HN 0.610 nan 8.280 nan 0.000 0.521 510 R N 3.975 124.147 120.500 -0.547 0.000 2.471 510 R HA 0.252 4.592 4.340 -0.000 0.000 0.292 510 R C -2.566 173.660 176.300 -0.123 0.000 1.192 510 R CA -1.562 54.361 56.100 -0.296 0.000 1.257 510 R CB 0.322 30.540 30.300 -0.136 0.000 1.130 510 R HN 0.325 nan 8.270 nan 0.000 0.558 511 P HA 0.064 nan 4.420 nan 0.000 0.271 511 P C -0.572 176.711 177.300 -0.028 0.000 1.218 511 P CA -0.032 63.038 63.100 -0.051 0.000 0.780 511 P CB 1.173 32.885 31.700 0.020 0.000 0.901 512 Q N 0.800 120.463 119.800 -0.228 0.000 2.189 512 Q HA 0.116 4.456 4.340 -0.000 0.000 0.223 512 Q C -0.051 175.415 176.000 -0.890 0.000 0.828 512 Q CA 0.012 55.631 55.803 -0.306 0.000 0.967 512 Q CB 0.312 28.951 28.738 -0.165 0.000 1.139 512 Q HN 0.632 nan 8.270 nan 0.000 0.497 513 N N -2.798 115.122 118.700 -1.300 0.000 3.039 513 N HA 0.125 4.865 4.740 -0.000 0.000 0.257 513 N C -0.579 174.167 175.510 -1.273 0.000 1.497 513 N CA -0.854 51.218 53.050 -1.629 0.000 0.861 513 N CB -0.320 37.782 38.487 -0.642 0.000 1.479 513 N HN -0.083 nan 8.380 nan 0.000 0.547 514 W N -0.496 120.545 121.300 -0.432 0.000 2.338 514 W HA -0.068 4.592 4.660 -0.000 0.000 0.304 514 W C 2.251 178.791 176.519 0.034 0.000 1.212 514 W CA 0.629 58.015 57.345 0.068 0.000 1.264 514 W CB -0.080 29.478 29.460 0.165 0.000 1.142 514 W HN 0.562 nan 8.180 nan 0.000 0.512 515 Q N 0.929 120.828 119.800 0.166 0.000 2.077 515 Q HA -0.249 4.090 4.340 -0.000 0.000 0.206 515 Q C 1.877 177.908 176.000 0.051 0.000 0.989 515 Q CA 2.045 57.907 55.803 0.098 0.000 0.853 515 Q CB -0.322 28.435 28.738 0.032 0.000 0.907 515 Q HN 0.495 nan 8.270 nan 0.000 0.418 516 E N 0.083 120.260 120.200 -0.039 0.000 2.072 516 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 516 E C 2.084 178.673 176.600 -0.020 0.000 0.985 516 E CA 0.671 57.031 56.400 -0.067 0.000 0.801 516 E CB -0.124 29.494 29.700 -0.136 0.000 0.750 516 E HN 0.146 nan 8.360 nan 0.000 0.452 517 L N 1.825 123.097 121.223 0.082 0.000 1.989 517 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 517 L C 1.972 178.995 176.870 0.255 0.000 1.071 517 L CA 1.934 56.876 54.840 0.170 0.000 0.749 517 L CB -0.322 41.945 42.059 0.346 0.000 0.890 517 L HN 0.002 nan 8.230 nan 0.000 0.431 518 E N -1.348 119.049 120.200 0.330 0.000 2.058 518 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 518 E C 2.030 178.759 176.600 0.214 0.000 0.997 518 E CA 1.959 58.580 56.400 0.368 0.000 0.801 518 E CB -0.282 29.610 29.700 0.321 0.000 0.746 518 E HN 0.489 nan 8.360 nan 0.000 0.450 519 T N 0.224 114.832 114.554 0.091 0.000 2.737 519 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 519 T C 1.820 176.450 174.700 -0.116 0.000 1.040 519 T CA 1.329 63.428 62.100 -0.002 0.000 1.142 519 T CB -0.245 68.602 68.868 -0.035 0.000 0.861 519 T HN 0.287 nan 8.240 nan 0.000 0.456 520 A N 0.136 122.818 122.820 -0.230 0.000 1.929 520 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 520 A C 1.924 179.237 177.584 -0.452 0.000 1.176 520 A CA 0.876 52.570 52.037 -0.572 0.000 0.628 520 A CB -0.786 17.792 19.000 -0.703 0.000 0.816 520 A HN 0.452 nan 8.150 nan 0.000 0.444 521 F N 0.424 120.204 119.950 -0.283 0.000 2.102 521 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 521 F C 2.820 178.424 175.800 -0.326 0.000 1.105 521 F CA 1.276 59.058 58.000 -0.365 0.000 1.239 521 F CB -0.532 38.410 39.000 -0.098 0.000 0.991 521 F HN 0.261 nan 8.300 nan 0.000 0.474 522 A N -0.201 122.690 122.820 0.118 0.000 1.865 522 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 522 A C 2.038 179.658 177.584 0.061 0.000 1.191 522 A CA 2.112 54.239 52.037 0.150 0.000 0.623 522 A CB -1.174 17.910 19.000 0.141 0.000 0.826 522 A HN 0.384 nan 8.150 nan 0.000 0.444 523 D N 0.034 120.419 120.400 -0.024 0.000 2.126 523 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 523 D C 2.064 178.346 176.300 -0.029 0.000 1.001 523 D CA 2.134 56.121 54.000 -0.021 0.000 0.841 523 D CB -0.392 40.375 40.800 -0.054 0.000 0.949 523 D HN 0.360 nan 8.370 nan 0.000 0.446 524 A N -0.226 122.494 122.820 -0.167 0.000 1.883 524 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 524 A C 2.301 179.828 177.584 -0.095 0.000 1.186 524 A CA 1.593 53.481 52.037 -0.247 0.000 0.624 524 A CB -1.487 17.165 19.000 -0.580 0.000 0.822 524 A HN 0.543 nan 8.150 nan 0.000 0.444 525 W N -0.624 120.744 121.300 0.114 0.000 2.825 525 W HA 0.065 4.725 4.660 -0.000 0.000 0.243 525 W C 2.308 178.878 176.519 0.084 0.000 1.293 525 W CA 0.201 57.614 57.345 0.114 0.000 1.403 525 W CB 0.030 29.570 29.460 0.133 0.000 1.134 525 W HN 0.259 nan 8.180 nan 0.000 0.666 526 R N -0.244 120.401 120.500 0.242 0.000 2.148 526 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 526 R C 1.310 177.690 176.300 0.134 0.000 1.088 526 R CA 1.341 57.541 56.100 0.167 0.000 0.985 526 R CB -0.274 30.096 30.300 0.117 0.000 0.880 526 R HN 0.016 nan 8.270 nan 0.000 0.451 527 T N -1.849 112.782 114.554 0.128 0.000 2.924 527 T HA 0.370 4.720 4.350 -0.000 0.000 0.291 527 T C -2.758 172.011 174.700 0.115 0.000 1.045 527 T CA -2.487 59.676 62.100 0.104 0.000 1.015 527 T CB 2.460 71.375 68.868 0.078 0.000 1.103 527 T HN -0.254 nan 8.240 nan 0.000 0.496 528 P HA 0.251 nan 4.420 nan 0.000 0.226 528 P C -0.409 176.940 177.300 0.082 0.000 1.783 528 P CA 0.038 63.194 63.100 0.093 0.000 0.980 528 P CB -0.831 30.915 31.700 0.076 0.000 1.967 529 T N -3.420 111.186 114.554 0.086 0.000 2.853 529 T HA 0.416 4.766 4.350 -0.000 0.000 0.311 529 T C -0.508 174.226 174.700 0.056 0.000 1.307 529 T CA -0.665 61.475 62.100 0.066 0.000 1.019 529 T CB 0.959 69.862 68.868 0.058 0.000 1.264 529 T HN -0.193 nan 8.240 nan 0.000 0.497 530 T N 2.986 117.565 114.554 0.042 0.000 2.749 530 T HA 0.536 4.886 4.350 -0.000 0.000 0.295 530 T C -0.069 174.636 174.700 0.008 0.000 0.936 530 T CA -0.335 61.778 62.100 0.022 0.000 1.060 530 T CB 0.567 69.443 68.868 0.013 0.000 0.904 530 T HN 0.787 nan 8.240 nan 0.000 0.500 531 T N 2.804 117.339 114.554 -0.033 0.000 2.794 531 T HA 0.435 4.785 4.350 -0.000 0.000 0.280 531 T C 0.002 174.660 174.700 -0.071 0.000 0.987 531 T CA -0.627 61.442 62.100 -0.053 0.000 0.993 531 T CB 1.316 70.115 68.868 -0.115 0.000 0.939 531 T HN 0.297 nan 8.240 nan 0.000 0.449 532 V N 5.001 124.906 119.914 -0.014 0.000 2.318 532 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 532 V C -0.045 176.008 176.094 -0.068 0.000 1.030 532 V CA -0.655 61.653 62.300 0.013 0.000 0.844 532 V CB 0.316 32.231 31.823 0.153 0.000 1.015 532 V HN 0.769 nan 8.190 nan 0.000 0.460 533 I N 4.581 125.052 120.570 -0.165 0.000 2.307 533 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 533 I C 0.329 176.351 176.117 -0.158 0.000 1.021 533 I CA -0.302 60.855 61.300 -0.239 0.000 1.224 533 I CB 1.267 39.053 38.000 -0.357 0.000 1.376 533 I HN 0.624 nan 8.210 nan 0.000 0.470 534 E N 7.833 127.944 120.200 -0.147 0.000 2.014 534 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 534 E C -0.721 175.866 176.600 -0.021 0.000 0.997 534 E CA -0.561 55.844 56.400 0.009 0.000 0.804 534 E CB 1.009 30.875 29.700 0.277 0.000 1.090 534 E HN 0.571 nan 8.360 nan 0.000 0.401 535 M N 5.780 125.361 119.600 -0.031 0.000 2.077 535 M HA 0.219 4.699 4.480 -0.000 0.000 0.348 535 M C -1.307 174.986 176.300 -0.011 0.000 1.252 535 M CA -0.700 54.564 55.300 -0.060 0.000 1.096 535 M CB 0.822 33.320 32.600 -0.170 0.000 1.568 535 M HN 0.301 nan 8.290 nan 0.000 0.456 536 V N 6.607 126.540 119.914 0.033 0.000 2.432 536 V HA 0.395 4.515 4.120 -0.000 0.000 0.271 536 V C -0.107 176.003 176.094 0.026 0.000 1.046 536 V CA -0.483 61.862 62.300 0.075 0.000 0.945 536 V CB 0.916 32.804 31.823 0.108 0.000 0.992 536 V HN 0.692 nan 8.190 nan 0.000 0.471 537 V N 2.886 122.815 119.914 0.025 0.000 2.876 537 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 537 V C -0.171 175.939 176.094 0.027 0.000 1.085 537 V CA -1.160 61.138 62.300 -0.004 0.000 0.945 537 V CB 2.215 34.007 31.823 -0.052 0.000 1.017 537 V HN 0.687 nan 8.190 nan 0.000 0.428 538 N N 2.923 121.637 118.700 0.024 0.000 2.407 538 N HA 0.014 4.754 4.740 -0.000 0.000 0.250 538 N C 0.650 176.178 175.510 0.030 0.000 1.236 538 N CA 0.808 53.877 53.050 0.031 0.000 0.879 538 N CB 1.064 39.568 38.487 0.028 0.000 1.088 538 N HN 0.992 nan 8.380 nan 0.000 0.450 539 D N 0.414 120.835 120.400 0.036 0.000 2.103 539 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 539 D C 1.428 177.746 176.300 0.031 0.000 0.997 539 D CA 2.328 56.351 54.000 0.038 0.000 0.833 539 D CB -0.831 39.996 40.800 0.045 0.000 0.961 539 D HN 0.653 nan 8.370 nan 0.000 0.447 540 T N -3.405 111.166 114.554 0.029 0.000 3.065 540 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 540 T C 1.207 175.918 174.700 0.018 0.000 1.099 540 T CA 0.212 62.327 62.100 0.025 0.000 1.063 540 T CB 0.030 68.913 68.868 0.027 0.000 0.948 540 T HN -0.112 nan 8.240 nan 0.000 0.506 541 D N 2.499 122.909 120.400 0.018 0.000 2.103 541 D HA -0.082 4.558 4.640 -0.000 0.000 0.190 541 D C 2.420 178.728 176.300 0.013 0.000 0.997 541 D CA 1.829 55.839 54.000 0.017 0.000 0.833 541 D CB -0.992 39.818 40.800 0.016 0.000 0.961 541 D HN 0.536 nan 8.370 nan 0.000 0.447 542 G N 0.772 109.577 108.800 0.008 0.000 2.440 542 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 542 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 542 G C 1.728 176.630 174.900 0.003 0.000 1.154 542 G CA 1.746 46.849 45.100 0.006 0.000 0.767 542 G HN 0.432 nan 8.290 nan 0.000 0.552 543 A N 0.410 123.230 122.820 0.000 0.000 1.858 543 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 543 A C 2.345 179.930 177.584 0.003 0.000 1.190 543 A CA 2.090 54.125 52.037 -0.004 0.000 0.617 543 A CB -0.593 18.405 19.000 -0.004 0.000 0.827 543 A HN 0.438 nan 8.150 nan 0.000 0.443 544 Q N -1.109 118.696 119.800 0.009 0.000 2.096 544 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 544 Q C 2.199 178.207 176.000 0.012 0.000 0.982 544 Q CA 2.107 57.917 55.803 0.012 0.000 0.850 544 Q CB -0.434 28.313 28.738 0.016 0.000 0.901 544 Q HN 0.659 nan 8.270 nan 0.000 0.422 545 T N 0.962 115.524 114.554 0.013 0.000 2.833 545 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 545 T C 1.625 176.330 174.700 0.009 0.000 1.054 545 T CA 0.843 62.951 62.100 0.013 0.000 1.135 545 T CB -0.161 68.718 68.868 0.017 0.000 0.869 545 T HN 0.129 nan 8.240 nan 0.000 0.466 546 L N 1.159 122.386 121.223 0.006 0.000 2.027 546 L HA -0.032 4.308 4.340 -0.000 0.000 0.206 546 L C 2.432 179.305 176.870 0.004 0.000 1.074 546 L CA 1.735 56.576 54.840 0.001 0.000 0.745 546 L CB -0.669 41.386 42.059 -0.006 0.000 0.898 546 L HN 0.225 nan 8.230 nan 0.000 0.433 547 Q N -0.950 118.854 119.800 0.007 0.000 2.096 547 Q HA -0.275 4.064 4.340 -0.000 0.000 0.204 547 Q C 2.222 178.235 176.000 0.021 0.000 0.982 547 Q CA 2.144 57.953 55.803 0.012 0.000 0.850 547 Q CB -0.265 28.480 28.738 0.013 0.000 0.901 547 Q HN 0.651 nan 8.270 nan 0.000 0.422 548 Q N 0.401 120.215 119.800 0.022 0.000 2.020 548 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 548 Q C 2.177 178.198 176.000 0.035 0.000 0.982 548 Q CA 1.131 56.952 55.803 0.030 0.000 0.838 548 Q CB -0.128 28.624 28.738 0.023 0.000 0.899 548 Q HN 0.370 nan 8.270 nan 0.000 0.423 549 L N 0.486 121.722 121.223 0.023 0.000 2.131 549 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 549 L C 2.345 179.231 176.870 0.025 0.000 1.092 549 L CA 0.392 55.245 54.840 0.021 0.000 0.759 549 L CB -0.355 41.708 42.059 0.007 0.000 0.903 549 L HN 0.360 nan 8.230 nan 0.000 0.435 550 L N 0.207 121.441 121.223 0.018 0.000 1.994 550 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 550 L C 2.689 179.569 176.870 0.016 0.000 1.071 550 L CA 2.295 57.141 54.840 0.009 0.000 0.745 550 L CB -0.970 41.089 42.059 -0.001 0.000 0.892 550 L HN 0.236 nan 8.230 nan 0.000 0.431 551 A N -0.948 121.898 122.820 0.043 0.000 1.972 551 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 551 A C 2.211 179.897 177.584 0.170 0.000 1.169 551 A CA 1.632 53.722 52.037 0.088 0.000 0.635 551 A CB -0.514 18.570 19.000 0.140 0.000 0.810 551 A HN 0.662 nan 8.150 nan 0.000 0.446 552 Q N -0.313 119.565 119.800 0.129 0.000 2.137 552 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 552 Q C 1.798 177.864 176.000 0.110 0.000 0.960 552 Q CA 1.541 57.430 55.803 0.144 0.000 0.847 552 Q CB -0.011 28.773 28.738 0.078 0.000 0.915 552 Q HN 0.454 nan 8.270 nan 0.000 0.448 553 V N 1.059 121.011 119.914 0.063 0.000 2.871 553 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 553 V C 2.347 178.455 176.094 0.024 0.000 1.082 553 V CA 1.587 63.919 62.300 0.054 0.000 1.105 553 V CB -0.251 31.612 31.823 0.067 0.000 0.713 553 V HN 0.420 nan 8.190 nan 0.000 0.473 554 S N 0.139 115.812 115.700 -0.045 0.000 2.461 554 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 554 S C 1.500 175.964 174.600 -0.227 0.000 1.005 554 S CA 0.872 58.982 58.200 -0.150 0.000 0.942 554 S CB -0.559 62.506 63.200 -0.224 0.000 0.776 554 S HN 0.737 nan 8.310 nan 0.000 0.514 555 H N 0.830 119.915 119.070 0.026 0.000 2.555 555 H HA 0.460 5.016 4.556 -0.000 0.000 0.283 555 H C 0.470 175.807 175.328 0.016 0.000 1.037 555 H CA -0.262 55.797 56.048 0.019 0.000 1.169 555 H CB -0.183 29.588 29.762 0.015 0.000 1.375 555 H HN 0.318 nan 8.280 nan 0.000 0.582 556 L N 0.000 121.271 121.223 0.080 0.000 2.949 556 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 556 L CA 0.000 54.870 54.840 0.050 0.000 0.813 556 L CB 0.000 42.079 42.059 0.033 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502