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 1xk6_1_D DATA FIRST_RESID 4 DATA SEQUENCE LPXPKFGPLA GLRVVFSGIE IAGPFAGQXF AEWGAEVIWI ENVAWADTIR DATA SEQUENCE VQPNYPQLSR RNLHALSLNI FKDEGREAFL KLXETTDIFI EASKGPAFAR DATA SEQUENCE RGITDEVLWQ HNPKLVIAHL SGFGQYGTEE YTNLPAYNTI AQAFSGYLIQ DATA SEQUENCE NGDVDQPXPA FPYTADYFSG LTATTAALAA LHKVRETGKG ESIDIAXYEV DATA SEQUENCE XLRXGQYFXX DYFNGGEXCP RXSKGKDPYY AGCGLYKCAD GYIVXELVGI DATA SEQUENCE TQIEECFKDI GLAHLLGTPE IPEGTQLIHR IECPYGPLVE EKLDAWLATH DATA SEQUENCE TIAEVKERFA ELNIACAKVL TVPELESNPQ YVARESITQW QTXDGRTCKG DATA SEQUENCE PNIXPKFKNN PGQIWRGXPS HGXDTAAILK NIGYSENDIQ ELVSKGLAKV DATA SEQUENCE ED 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.864 176.870 -0.011 0.000 1.165 4 L CA 0.000 54.792 54.840 -0.081 0.000 0.813 4 L CB 0.000 41.920 42.059 -0.232 0.000 0.961 8 K N 2.209 122.629 120.400 0.034 0.000 2.285 8 K HA 0.631 4.950 4.320 -0.002 0.000 0.286 8 K C -1.070 175.614 176.600 0.140 0.000 1.072 8 K CA -0.338 55.951 56.287 0.004 0.000 0.913 8 K CB 0.134 32.620 32.500 -0.023 0.000 1.067 8 K HN 0.513 nan 8.250 nan 0.000 0.479 9 F N 0.744 120.649 119.950 -0.075 0.000 2.719 9 F HA 0.582 5.108 4.527 -0.001 0.000 0.309 9 F C -0.417 175.359 175.800 -0.041 0.000 1.138 9 F CA -0.146 57.828 58.000 -0.043 0.000 0.943 9 F CB 0.588 39.578 39.000 -0.017 0.000 1.304 9 F HN 0.748 nan 8.300 nan 0.000 0.445 10 G N 1.688 110.507 108.800 0.032 0.000 2.814 10 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.677 10 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.677 10 G C -2.356 172.383 174.900 -0.268 0.000 1.429 10 G CA -0.465 44.552 45.100 -0.137 0.000 0.868 10 G HN 0.760 nan 8.290 nan 0.000 0.553 11 P HA 0.005 nan 4.420 nan 0.000 0.223 11 P C 1.502 178.684 177.300 -0.196 0.000 1.151 11 P CA 1.097 63.984 63.100 -0.356 0.000 0.787 11 P CB 0.099 31.432 31.700 -0.611 0.000 0.788 12 L N -1.237 119.887 121.223 -0.165 0.000 2.769 12 L HA 0.333 4.671 4.340 -0.002 0.000 0.240 12 L C 0.938 177.734 176.870 -0.122 0.000 1.163 12 L CA -0.707 54.098 54.840 -0.059 0.000 0.962 12 L CB -0.342 41.771 42.059 0.090 0.000 1.258 12 L HN -0.176 nan 8.230 nan 0.000 0.513 13 A N 0.404 123.097 122.820 -0.212 0.000 2.584 13 A HA 0.325 4.644 4.320 -0.002 0.000 0.239 13 A C 1.502 179.009 177.584 -0.128 0.000 1.043 13 A CA 1.071 52.973 52.037 -0.225 0.000 0.756 13 A CB -0.231 18.644 19.000 -0.209 0.000 0.963 13 A HN 0.680 nan 8.150 nan 0.000 0.511 14 G N 0.763 109.492 108.800 -0.118 0.000 2.225 14 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.254 14 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.254 14 G C 0.192 175.059 174.900 -0.055 0.000 0.988 14 G CA 0.376 45.428 45.100 -0.078 0.000 0.625 14 G HN 1.539 nan 8.290 nan 0.000 0.527 15 L N 1.500 122.697 121.223 -0.043 0.000 2.380 15 L HA 0.687 5.026 4.340 -0.002 0.000 0.273 15 L C 0.667 177.518 176.870 -0.032 0.000 1.138 15 L CA -0.221 54.607 54.840 -0.020 0.000 0.832 15 L CB 0.554 42.628 42.059 0.025 0.000 1.124 15 L HN 0.238 nan 8.230 nan 0.000 0.454 16 R N 4.133 124.605 120.500 -0.045 0.000 2.246 16 R HA 0.599 4.938 4.340 -0.002 0.000 0.332 16 R C -1.364 174.891 176.300 -0.075 0.000 0.974 16 R CA -0.580 55.489 56.100 -0.051 0.000 0.837 16 R CB 1.408 31.677 30.300 -0.052 0.000 1.145 16 R HN 0.452 nan 8.270 nan 0.000 0.467 17 V N 3.841 123.710 119.914 -0.075 0.000 2.604 17 V HA 0.500 4.619 4.120 -0.002 0.000 0.305 17 V C -0.358 175.747 176.094 0.018 0.000 1.043 17 V CA -0.835 61.387 62.300 -0.130 0.000 0.888 17 V CB 2.255 33.862 31.823 -0.360 0.000 0.995 17 V HN 0.376 nan 8.190 nan 0.000 0.429 18 V N 5.003 124.973 119.914 0.094 0.000 2.656 18 V HA 0.630 4.749 4.120 -0.002 0.000 0.307 18 V C -0.804 175.501 176.094 0.351 0.000 1.051 18 V CA -0.615 61.812 62.300 0.212 0.000 0.893 18 V CB 1.702 33.665 31.823 0.233 0.000 0.999 18 V HN 0.812 nan 8.190 nan 0.000 0.426 19 F N 2.002 122.084 119.950 0.220 0.000 2.551 19 F HA 0.859 5.385 4.527 -0.002 0.000 0.316 19 F C -0.305 175.646 175.800 0.253 0.000 1.089 19 F CA -0.797 57.276 58.000 0.121 0.000 0.915 19 F CB 2.126 41.130 39.000 0.006 0.000 1.186 19 F HN 0.367 nan 8.300 nan 0.000 0.456 20 S N 2.836 118.751 115.700 0.357 0.000 2.498 20 S HA 0.898 5.367 4.470 -0.002 0.000 0.317 20 S C -0.395 174.423 174.600 0.363 0.000 1.090 20 S CA 0.315 58.740 58.200 0.376 0.000 1.089 20 S CB 0.509 64.026 63.200 0.529 0.000 0.997 20 S HN 1.744 nan 8.310 nan 0.000 0.470 21 G N 3.208 112.249 108.800 0.402 0.000 2.328 21 G HA2 0.376 4.335 3.960 -0.002 0.000 0.299 21 G HA3 0.376 4.335 3.960 -0.002 0.000 0.299 21 G C -1.430 173.668 174.900 0.329 0.000 1.435 21 G CA -0.265 45.017 45.100 0.303 0.000 0.865 21 G HN 1.237 nan 8.290 nan 0.000 0.601 22 I N -3.712 116.973 120.570 0.192 0.000 3.239 22 I HA 0.912 5.081 4.170 -0.002 0.000 0.314 22 I C 0.544 176.688 176.117 0.046 0.000 1.126 22 I CA -0.898 60.505 61.300 0.171 0.000 0.973 22 I CB 2.073 40.153 38.000 0.134 0.000 1.252 22 I HN 0.746 nan 8.210 nan 0.000 0.463 23 E N 0.428 120.644 120.200 0.027 0.000 3.045 23 E HA -0.278 4.071 4.350 -0.002 0.000 0.350 23 E C 0.618 177.146 176.600 -0.119 0.000 1.445 23 E CA 2.089 58.447 56.400 -0.070 0.000 1.442 23 E CB -1.042 28.572 29.700 -0.143 0.000 1.762 23 E HN 0.803 nan 8.360 nan 0.000 0.524 24 I N 0.677 121.113 120.570 -0.223 0.000 3.098 24 I HA 0.054 4.223 4.170 -0.002 0.000 0.241 24 I C 2.491 178.457 176.117 -0.252 0.000 1.081 24 I CA 0.801 61.922 61.300 -0.299 0.000 1.487 24 I CB -0.489 37.158 38.000 -0.588 0.000 1.366 24 I HN 0.489 nan 8.210 nan 0.000 0.463 25 A N 1.433 124.100 122.820 -0.255 0.000 1.859 25 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 25 A C 2.325 179.844 177.584 -0.109 0.000 1.209 25 A CA 2.589 54.520 52.037 -0.177 0.000 0.639 25 A CB -1.712 17.200 19.000 -0.146 0.000 0.835 25 A HN 0.502 nan 8.150 nan 0.000 0.450 26 G N -0.402 108.326 108.800 -0.120 0.000 2.453 26 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.215 26 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.215 26 G C -0.255 174.432 174.900 -0.356 0.000 1.201 26 G CA 1.305 46.318 45.100 -0.146 0.000 0.784 26 G HN 0.508 nan 8.290 nan 0.000 0.545 27 P HA -0.093 nan 4.420 nan 0.000 0.218 27 P C 1.525 178.413 177.300 -0.686 0.000 1.148 27 P CA 0.558 63.069 63.100 -0.981 0.000 0.822 27 P CB -0.098 31.307 31.700 -0.491 0.000 0.784 28 F N 0.945 120.623 119.950 -0.454 0.000 2.134 28 F HA -0.181 4.345 4.527 -0.002 0.000 0.299 28 F C 2.169 177.789 175.800 -0.300 0.000 1.097 28 F CA 1.583 59.398 58.000 -0.309 0.000 1.264 28 F CB -0.924 37.953 39.000 -0.204 0.000 1.001 28 F HN -0.132 nan 8.300 nan 0.000 0.479 29 A N 0.202 122.858 122.820 -0.274 0.000 1.877 29 A HA -0.052 4.267 4.320 -0.002 0.000 0.216 29 A C 2.496 179.966 177.584 -0.191 0.000 1.186 29 A CA 1.763 53.649 52.037 -0.252 0.000 0.620 29 A CB -1.782 17.166 19.000 -0.088 0.000 0.822 29 A HN 0.509 nan 8.150 nan 0.000 0.443 30 G N -1.146 107.455 108.800 -0.331 0.000 2.402 30 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.216 30 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.216 30 G C 1.159 176.004 174.900 -0.092 0.000 1.162 30 G CA 0.727 45.724 45.100 -0.172 0.000 0.777 30 G HN 0.523 nan 8.290 nan 0.000 0.539 34 A N 0.326 123.200 122.820 0.089 0.000 2.014 34 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 34 A C 1.890 179.586 177.584 0.185 0.000 1.163 34 A CA 1.539 53.675 52.037 0.166 0.000 0.652 34 A CB -0.362 18.741 19.000 0.172 0.000 0.808 34 A HN 0.306 nan 8.150 nan 0.000 0.449 35 E N -0.866 119.323 120.200 -0.019 0.000 2.204 35 E HA -0.180 4.169 4.350 -0.002 0.000 0.195 35 E C 0.633 177.498 176.600 0.442 0.000 0.990 35 E CA 0.868 57.317 56.400 0.082 0.000 0.821 35 E CB -0.146 29.445 29.700 -0.182 0.000 0.750 35 E HN 0.910 nan 8.360 nan 0.000 0.477 36 W N -0.131 121.233 121.300 0.106 0.000 3.102 36 W HA 0.391 5.050 4.660 -0.002 0.000 0.401 36 W C 1.132 177.506 176.519 -0.243 0.000 1.070 36 W CA 0.219 57.553 57.345 -0.018 0.000 1.921 36 W CB 0.215 29.603 29.460 -0.120 0.000 1.118 36 W HN 0.180 nan 8.180 nan 0.000 0.647 37 G N -0.177 108.498 108.800 -0.207 0.000 2.201 37 G HA2 -0.050 3.908 3.960 -0.002 0.000 0.212 37 G HA3 -0.050 3.908 3.960 -0.002 0.000 0.212 37 G C 0.571 175.206 174.900 -0.441 0.000 0.994 37 G CA -0.295 44.219 45.100 -0.977 0.000 0.644 37 G HN 0.393 nan 8.290 nan 0.000 0.508 38 A N 0.319 123.086 122.820 -0.089 0.000 2.406 38 A HA 0.560 4.879 4.320 -0.002 0.000 0.243 38 A C 0.559 178.193 177.584 0.084 0.000 1.082 38 A CA 0.692 52.738 52.037 0.016 0.000 0.786 38 A CB 0.337 19.420 19.000 0.138 0.000 1.029 38 A HN 0.640 nan 8.150 nan 0.000 0.495 39 E N 1.408 121.650 120.200 0.069 0.000 2.052 39 E HA 0.415 4.764 4.350 -0.002 0.000 0.283 39 E C -1.338 175.371 176.600 0.183 0.000 1.071 39 E CA -0.250 56.242 56.400 0.154 0.000 0.851 39 E CB 0.398 30.091 29.700 -0.012 0.000 1.066 39 E HN 0.337 nan 8.360 nan 0.000 0.396 40 V N 6.900 127.029 119.914 0.358 0.000 2.417 40 V HA 0.357 4.476 4.120 -0.002 0.000 0.291 40 V C 0.130 176.436 176.094 0.354 0.000 1.024 40 V CA -0.687 61.794 62.300 0.301 0.000 0.861 40 V CB 1.446 33.458 31.823 0.316 0.000 0.985 40 V HN 0.647 nan 8.190 nan 0.000 0.436 41 I N 4.415 125.105 120.570 0.201 0.000 2.321 41 I HA 0.286 4.455 4.170 -0.002 0.000 0.291 41 I C -0.790 175.282 176.117 -0.075 0.000 0.998 41 I CA -0.277 61.100 61.300 0.129 0.000 1.227 41 I CB 1.191 39.227 38.000 0.060 0.000 1.368 41 I HN 0.713 nan 8.210 nan 0.000 0.466 42 W N 9.596 130.680 121.300 -0.360 0.000 2.311 42 W HA 0.494 5.153 4.660 -0.002 0.000 0.317 42 W C -0.888 175.378 176.519 -0.422 0.000 1.065 42 W CA -1.392 55.461 57.345 -0.820 0.000 1.364 42 W CB 0.302 29.549 29.460 -0.354 0.000 1.233 42 W HN 0.257 nan 8.180 nan 0.000 0.409 43 I N 6.689 127.125 120.570 -0.224 0.000 2.371 43 I HA 0.142 4.311 4.170 -0.002 0.000 0.290 43 I C 0.425 176.460 176.117 -0.136 0.000 1.028 43 I CA -0.112 61.110 61.300 -0.129 0.000 1.345 43 I CB 0.742 38.740 38.000 -0.002 0.000 1.407 43 I HN 0.315 nan 8.210 nan 0.000 0.501 44 E N 5.211 125.278 120.200 -0.222 0.000 2.244 44 E HA 0.353 4.702 4.350 -0.002 0.000 0.266 44 E C -0.765 175.833 176.600 -0.003 0.000 0.914 44 E CA -1.011 55.303 56.400 -0.143 0.000 0.794 44 E CB 1.618 31.131 29.700 -0.311 0.000 1.210 44 E HN 0.479 nan 8.360 nan 0.000 0.414 45 N N 0.460 119.191 118.700 0.053 0.000 2.371 45 N HA -0.014 4.725 4.740 -0.002 0.000 0.243 45 N C 0.896 176.490 175.510 0.139 0.000 1.287 45 N CA 0.048 53.149 53.050 0.084 0.000 0.911 45 N CB 1.213 39.767 38.487 0.112 0.000 1.142 45 N HN 0.187 nan 8.380 nan 0.000 0.451 46 V N 1.133 121.094 119.914 0.078 0.000 2.302 46 V HA -0.143 3.976 4.120 -0.002 0.000 0.243 46 V C 2.166 178.295 176.094 0.058 0.000 1.036 46 V CA 2.083 64.401 62.300 0.030 0.000 1.020 46 V CB -0.864 30.936 31.823 -0.038 0.000 0.657 46 V HN 0.793 nan 8.190 nan 0.000 0.453 47 A N -1.643 121.196 122.820 0.031 0.000 1.930 47 A HA -0.090 4.229 4.320 -0.002 0.000 0.217 47 A C 0.752 178.149 177.584 -0.311 0.000 1.175 47 A CA 0.973 52.949 52.037 -0.101 0.000 0.627 47 A CB -0.293 18.723 19.000 0.027 0.000 0.815 47 A HN 0.610 nan 8.150 nan 0.000 0.443 48 W N -1.782 119.544 121.300 0.043 0.000 2.900 48 W HA 0.640 5.299 4.660 -0.002 0.000 0.336 48 W C 0.079 176.517 176.519 -0.135 0.000 1.064 48 W CA -0.465 56.866 57.345 -0.023 0.000 1.237 48 W CB 1.308 30.759 29.460 -0.015 0.000 1.391 48 W HN 0.291 nan 8.180 nan 0.000 0.468 49 A N 1.930 124.666 122.820 -0.140 0.000 2.327 49 A HA 0.201 4.520 4.320 -0.002 0.000 0.255 49 A C 0.289 177.836 177.584 -0.062 0.000 1.099 49 A CA -0.220 51.544 52.037 -0.456 0.000 0.801 49 A CB 0.133 18.681 19.000 -0.753 0.000 1.062 49 A HN 0.603 nan 8.150 nan 0.000 0.496 50 D N 0.430 120.825 120.400 -0.009 0.000 2.658 50 D HA -0.049 4.590 4.640 -0.002 0.000 0.230 50 D C 1.615 178.013 176.300 0.164 0.000 1.118 50 D CA 1.154 55.272 54.000 0.197 0.000 0.848 50 D CB 0.584 41.696 40.800 0.521 0.000 1.160 50 D HN 0.570 nan 8.370 nan 0.000 0.497 51 T N 1.848 116.477 114.554 0.125 0.000 3.098 51 T HA -0.152 4.197 4.350 -0.002 0.000 0.266 51 T C 2.011 176.768 174.700 0.094 0.000 1.145 51 T CA -0.037 62.115 62.100 0.088 0.000 1.092 51 T CB -0.050 68.841 68.868 0.038 0.000 0.908 51 T HN 0.411 nan 8.240 nan 0.000 0.526 52 I N 1.869 122.515 120.570 0.126 0.000 2.454 52 I HA -0.082 4.087 4.170 -0.002 0.000 0.254 52 I C 2.335 178.536 176.117 0.141 0.000 1.156 52 I CA 0.920 62.292 61.300 0.120 0.000 1.433 52 I CB -0.264 37.803 38.000 0.111 0.000 1.082 52 I HN 0.151 nan 8.210 nan 0.000 0.432 53 R N -0.707 119.892 120.500 0.165 0.000 2.285 53 R HA -0.031 4.308 4.340 -0.002 0.000 0.213 53 R C 1.986 178.358 176.300 0.120 0.000 1.068 53 R CA 1.031 57.225 56.100 0.156 0.000 1.004 53 R CB -0.384 30.011 30.300 0.159 0.000 0.873 53 R HN 0.291 nan 8.270 nan 0.000 0.467 54 V N 0.969 120.948 119.914 0.108 0.000 2.809 54 V HA -0.123 3.996 4.120 -0.002 0.000 0.256 54 V C 0.979 177.128 176.094 0.091 0.000 1.080 54 V CA 1.124 63.480 62.300 0.092 0.000 1.102 54 V CB -0.381 31.488 31.823 0.077 0.000 0.705 54 V HN 0.247 nan 8.190 nan 0.000 0.475 55 Q N 1.254 121.117 119.800 0.105 0.000 2.311 55 Q HA 0.109 4.448 4.340 -0.002 0.000 0.272 55 Q C -1.276 174.794 176.000 0.116 0.000 1.012 55 Q CA -1.480 54.393 55.803 0.118 0.000 0.891 55 Q CB 0.483 29.318 28.738 0.162 0.000 1.201 55 Q HN 0.261 nan 8.270 nan 0.000 0.391 56 P HA -0.084 nan 4.420 nan 0.000 0.221 56 P C -0.110 177.241 177.300 0.085 0.000 1.150 56 P CA 1.283 64.433 63.100 0.083 0.000 0.800 56 P CB 0.675 32.416 31.700 0.069 0.000 0.787 57 N N -2.873 115.895 118.700 0.114 0.000 2.354 57 N HA -0.001 4.738 4.740 -0.002 0.000 0.253 57 N C 1.465 177.069 175.510 0.156 0.000 1.096 57 N CA -0.318 52.797 53.050 0.108 0.000 0.820 57 N CB -0.789 37.751 38.487 0.087 0.000 1.610 57 N HN -0.158 nan 8.380 nan 0.000 0.501 58 Y N 3.359 123.702 120.300 0.072 0.000 2.139 58 Y HA -0.107 4.442 4.550 -0.002 0.000 0.282 58 Y C -1.191 174.761 175.900 0.086 0.000 1.179 58 Y CA 1.802 59.951 58.100 0.082 0.000 1.161 58 Y CB -1.089 37.411 38.460 0.066 0.000 0.970 58 Y HN 0.081 nan 8.280 nan 0.000 0.511 59 P HA -0.160 nan 4.420 nan 0.000 0.220 59 P C 1.344 178.587 177.300 -0.095 0.000 1.148 59 P CA 1.603 64.614 63.100 -0.148 0.000 0.803 59 P CB -0.113 31.601 31.700 0.024 0.000 0.782 60 Q N -0.868 118.949 119.800 0.028 0.000 2.170 60 Q HA -0.143 4.195 4.340 -0.002 0.000 0.203 60 Q C 2.052 178.203 176.000 0.252 0.000 0.976 60 Q CA 1.101 57.002 55.803 0.162 0.000 0.858 60 Q CB -0.958 27.891 28.738 0.185 0.000 0.907 60 Q HN 0.312 nan 8.270 nan 0.000 0.433 61 L N 0.407 121.700 121.223 0.117 0.000 2.084 61 L HA -0.035 4.304 4.340 -0.002 0.000 0.202 61 L C 2.157 178.868 176.870 -0.264 0.000 1.074 61 L CA 2.037 56.873 54.840 -0.007 0.000 0.757 61 L CB -0.662 41.432 42.059 0.059 0.000 0.918 61 L HN 0.144 nan 8.230 nan 0.000 0.444 62 S N -1.235 114.170 115.700 -0.493 0.000 2.561 62 S HA 0.045 4.514 4.470 -0.002 0.000 0.225 62 S C 1.511 175.877 174.600 -0.391 0.000 0.977 62 S CA 0.142 58.049 58.200 -0.490 0.000 0.926 62 S CB -0.285 62.441 63.200 -0.790 0.000 0.769 62 S HN 0.480 nan 8.310 nan 0.000 0.533 63 R N 1.226 121.516 120.500 -0.351 0.000 2.572 63 R HA 0.244 4.583 4.340 -0.002 0.000 0.370 63 R C -0.018 176.146 176.300 -0.227 0.000 1.005 63 R CA -0.171 55.705 56.100 -0.373 0.000 1.146 63 R CB 0.254 30.242 30.300 -0.520 0.000 1.390 63 R HN 0.659 nan 8.270 nan 0.000 0.553 64 R N 0.643 120.996 120.500 -0.246 0.000 2.827 64 R HA 0.118 4.457 4.340 -0.002 0.000 0.269 64 R C -0.009 176.089 176.300 -0.337 0.000 1.048 64 R CA -0.217 55.695 56.100 -0.314 0.000 1.173 64 R CB 0.084 30.090 30.300 -0.491 0.000 1.070 64 R HN -0.154 nan 8.270 nan 0.000 0.498 65 N N -1.355 117.024 118.700 -0.535 0.000 2.753 65 N HA -0.166 4.573 4.740 -0.002 0.000 0.251 65 N C -1.172 174.197 175.510 -0.234 0.000 1.097 65 N CA 1.323 54.013 53.050 -0.600 0.000 0.786 65 N CB -1.078 37.332 38.487 -0.127 0.000 1.137 65 N HN 0.534 nan 8.380 nan 0.000 0.566 66 L N 0.384 121.471 121.223 -0.226 0.000 2.334 66 L HA 0.393 4.732 4.340 -0.002 0.000 0.272 66 L C 0.551 177.380 176.870 -0.069 0.000 1.020 66 L CA -0.760 54.088 54.840 0.013 0.000 0.812 66 L CB 1.289 43.449 42.059 0.168 0.000 1.264 66 L HN 0.127 nan 8.230 nan 0.000 0.439 67 H N 1.268 120.489 119.070 0.252 0.000 2.458 67 H HA 0.500 5.055 4.556 -0.002 0.000 0.330 67 H C -0.505 174.928 175.328 0.174 0.000 1.111 67 H CA -0.669 55.501 56.048 0.205 0.000 1.245 67 H CB 1.962 31.838 29.762 0.190 0.000 1.456 67 H HN 0.632 nan 8.280 nan 0.000 0.488 68 A N 3.884 126.818 122.820 0.191 0.000 2.271 68 A HA 0.404 4.723 4.320 -0.002 0.000 0.317 68 A C -0.706 176.843 177.584 -0.057 0.000 1.245 68 A CA -0.591 51.453 52.037 0.010 0.000 0.857 68 A CB 0.488 19.418 19.000 -0.117 0.000 1.175 68 A HN 0.481 nan 8.150 nan 0.000 0.512 69 L N 2.669 123.823 121.223 -0.114 0.000 2.322 69 L HA 0.725 5.064 4.340 -0.002 0.000 0.281 69 L C -0.052 176.719 176.870 -0.165 0.000 1.014 69 L CA 0.086 54.857 54.840 -0.114 0.000 0.815 69 L CB 2.076 44.092 42.059 -0.071 0.000 1.247 69 L HN 0.492 nan 8.230 nan 0.000 0.421 70 S N 5.348 120.950 115.700 -0.163 0.000 2.566 70 S HA 0.812 5.281 4.470 -0.002 0.000 0.324 70 S C -1.236 173.284 174.600 -0.133 0.000 1.081 70 S CA -0.447 57.662 58.200 -0.153 0.000 1.105 70 S CB 0.278 63.318 63.200 -0.268 0.000 0.981 70 S HN 0.644 nan 8.310 nan 0.000 0.464 71 L N 4.990 126.152 121.223 -0.101 0.000 2.549 71 L HA 0.550 4.889 4.340 -0.002 0.000 0.259 71 L C -1.128 175.682 176.870 -0.100 0.000 0.934 71 L CA -0.378 54.398 54.840 -0.107 0.000 0.865 71 L CB 2.094 44.087 42.059 -0.110 0.000 1.352 71 L HN 0.606 nan 8.230 nan 0.000 0.410 72 N N 4.479 123.125 118.700 -0.091 0.000 2.555 72 N HA 0.190 4.929 4.740 -0.002 0.000 0.244 72 N C 0.944 176.358 175.510 -0.161 0.000 1.114 72 N CA -0.226 52.778 53.050 -0.077 0.000 0.963 72 N CB 0.347 38.819 38.487 -0.025 0.000 1.276 72 N HN 0.737 nan 8.380 nan 0.000 0.510 73 I N -0.801 119.555 120.570 -0.357 0.000 3.444 73 I HA 0.086 4.255 4.170 -0.002 0.000 0.287 73 I C -0.059 175.617 176.117 -0.735 0.000 1.302 73 I CA 0.660 61.581 61.300 -0.632 0.000 1.368 73 I CB -0.275 37.015 38.000 -1.183 0.000 1.048 73 I HN 0.091 nan 8.210 nan 0.000 0.487 74 F N 1.404 121.227 119.950 -0.211 0.000 2.720 74 F HA 0.364 4.890 4.527 -0.002 0.000 0.301 74 F C 0.954 176.695 175.800 -0.098 0.000 1.103 74 F CA -0.290 57.603 58.000 -0.179 0.000 1.291 74 F CB 0.250 39.121 39.000 -0.216 0.000 1.086 74 F HN -0.057 nan 8.300 nan 0.000 0.592 75 K N 0.946 121.376 120.400 0.050 0.000 2.394 75 K HA 0.301 4.620 4.320 -0.002 0.000 0.260 75 K C -0.043 176.564 176.600 0.012 0.000 0.967 75 K CA -0.298 56.010 56.287 0.036 0.000 0.855 75 K CB 0.476 32.994 32.500 0.029 0.000 1.101 75 K HN -0.063 nan 8.250 nan 0.000 0.433 76 D N 2.683 123.097 120.400 0.022 0.000 3.899 76 D HA -0.308 4.331 4.640 -0.002 0.000 0.146 76 D C 0.657 176.970 176.300 0.021 0.000 0.820 76 D CA 2.121 56.134 54.000 0.022 0.000 1.056 76 D CB -0.424 40.386 40.800 0.018 0.000 0.474 76 D HN 0.766 nan 8.370 nan 0.000 0.457 77 E N 0.541 120.752 120.200 0.018 0.000 2.274 77 E HA 0.126 4.475 4.350 -0.002 0.000 0.194 77 E C 2.045 178.641 176.600 -0.006 0.000 0.996 77 E CA 1.100 57.517 56.400 0.029 0.000 0.840 77 E CB -0.409 29.313 29.700 0.037 0.000 0.772 77 E HN 0.504 nan 8.360 nan 0.000 0.491 78 G N 0.841 109.620 108.800 -0.034 0.000 2.394 78 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.215 78 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.215 78 G C 1.548 176.417 174.900 -0.052 0.000 1.165 78 G CA 0.538 45.596 45.100 -0.069 0.000 0.784 78 G HN 0.146 nan 8.290 nan 0.000 0.535 79 R N 0.637 121.115 120.500 -0.038 0.000 2.081 79 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 79 R C 2.408 178.721 176.300 0.021 0.000 1.131 79 R CA 1.689 57.776 56.100 -0.021 0.000 0.960 79 R CB -0.271 30.024 30.300 -0.007 0.000 0.856 79 R HN 0.468 nan 8.270 nan 0.000 0.436 80 E N -0.008 120.208 120.200 0.027 0.000 2.051 80 E HA -0.189 4.160 4.350 -0.002 0.000 0.192 80 E C 1.997 178.635 176.600 0.064 0.000 0.991 80 E CA 1.267 57.696 56.400 0.048 0.000 0.799 80 E CB -0.152 29.605 29.700 0.096 0.000 0.748 80 E HN 0.468 nan 8.360 nan 0.000 0.449 81 A N 1.118 123.978 122.820 0.067 0.000 1.902 81 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 81 A C 2.005 179.574 177.584 -0.025 0.000 1.181 81 A CA 1.192 53.241 52.037 0.019 0.000 0.623 81 A CB -0.730 18.108 19.000 -0.269 0.000 0.818 81 A HN 0.351 nan 8.150 nan 0.000 0.443 82 F N 0.669 120.513 119.950 -0.178 0.000 2.102 82 F HA -0.123 4.403 4.527 -0.001 0.000 0.298 82 F C 1.805 177.446 175.800 -0.265 0.000 1.105 82 F CA 1.766 59.626 58.000 -0.234 0.000 1.239 82 F CB -0.316 38.507 39.000 -0.295 0.000 0.991 82 F HN 0.129 nan 8.300 nan 0.000 0.474 83 L N 0.034 120.989 121.223 -0.446 0.000 2.217 83 L HA -0.150 4.189 4.340 -0.002 0.000 0.211 83 L C 2.389 178.948 176.870 -0.518 0.000 1.107 83 L CA 1.235 55.643 54.840 -0.720 0.000 0.783 83 L CB -0.681 40.857 42.059 -0.869 0.000 0.919 83 L HN 0.100 nan 8.230 nan 0.000 0.442 84 K N 0.776 121.030 120.400 -0.244 0.000 2.057 84 K HA -0.084 4.235 4.320 -0.002 0.000 0.207 84 K C 1.105 177.628 176.600 -0.129 0.000 1.049 84 K CA 0.963 57.206 56.287 -0.075 0.000 0.931 84 K CB -0.334 32.206 32.500 0.067 0.000 0.714 84 K HN 0.043 nan 8.250 nan 0.000 0.440 88 T N -0.744 113.775 114.554 -0.059 0.000 3.182 88 T HA 0.239 4.588 4.350 -0.002 0.000 0.277 88 T C 0.361 175.028 174.700 -0.055 0.000 1.013 88 T CA -0.193 61.878 62.100 -0.049 0.000 0.900 88 T CB 0.453 69.293 68.868 -0.047 0.000 1.098 88 T HN -0.177 nan 8.240 nan 0.000 0.543 89 T N 2.468 116.981 114.554 -0.069 0.000 2.845 89 T HA 0.272 4.621 4.350 -0.002 0.000 0.288 89 T C 0.409 175.091 174.700 -0.030 0.000 0.980 89 T CA -0.590 61.473 62.100 -0.061 0.000 1.071 89 T CB 1.523 70.335 68.868 -0.094 0.000 0.941 89 T HN 0.141 nan 8.240 nan 0.000 0.487 90 D N 1.857 122.239 120.400 -0.029 0.000 2.149 90 D HA 0.120 4.759 4.640 -0.002 0.000 0.206 90 D C 0.502 176.799 176.300 -0.004 0.000 0.967 90 D CA 1.015 55.008 54.000 -0.013 0.000 0.848 90 D CB 0.556 41.342 40.800 -0.023 0.000 0.998 90 D HN 0.423 nan 8.370 nan 0.000 0.474 91 I N 0.436 120.977 120.570 -0.049 0.000 2.499 91 I HA 0.215 4.384 4.170 -0.002 0.000 0.288 91 I C -1.266 174.857 176.117 0.011 0.000 1.048 91 I CA -0.940 60.322 61.300 -0.064 0.000 1.062 91 I CB 2.561 40.415 38.000 -0.242 0.000 1.238 91 I HN -0.238 nan 8.210 nan 0.000 0.426 92 F N 8.061 127.942 119.950 -0.115 0.000 2.426 92 F HA 0.648 5.174 4.527 -0.002 0.000 0.348 92 F C -0.890 174.842 175.800 -0.114 0.000 1.124 92 F CA -0.883 57.063 58.000 -0.090 0.000 1.008 92 F CB 0.897 39.851 39.000 -0.078 0.000 1.139 92 F HN 0.187 nan 8.300 nan 0.000 0.452 93 I N 5.543 125.753 120.570 -0.601 0.000 2.377 93 I HA 0.375 4.544 4.170 -0.002 0.000 0.293 93 I C -1.185 174.416 176.117 -0.859 0.000 0.987 93 I CA -0.557 60.392 61.300 -0.585 0.000 1.185 93 I CB 1.767 39.642 38.000 -0.209 0.000 1.341 93 I HN 0.617 nan 8.210 nan 0.000 0.455 94 E N 5.884 125.614 120.200 -0.783 0.000 2.292 94 E HA 0.794 5.143 4.350 -0.002 0.000 0.272 94 E C -1.520 174.960 176.600 -0.200 0.000 0.881 94 E CA -0.917 55.163 56.400 -0.533 0.000 0.754 94 E CB 1.929 31.078 29.700 -0.918 0.000 1.201 94 E HN 0.554 nan 8.360 nan 0.000 0.425 95 A N 2.464 125.271 122.820 -0.022 0.000 2.287 95 A HA 0.780 5.099 4.320 -0.002 0.000 0.317 95 A C -0.355 177.304 177.584 0.126 0.000 1.220 95 A CA -0.044 52.012 52.037 0.032 0.000 0.835 95 A CB 0.505 19.507 19.000 0.003 0.000 1.180 95 A HN 1.042 nan 8.150 nan 0.000 0.500 96 S N 1.681 117.465 115.700 0.141 0.000 2.752 96 S HA 0.523 4.992 4.470 -0.002 0.000 0.284 96 S C -0.958 173.714 174.600 0.120 0.000 1.189 96 S CA -1.063 57.240 58.200 0.172 0.000 0.835 96 S CB 0.674 64.070 63.200 0.327 0.000 1.192 96 S HN 0.517 nan 8.310 nan 0.000 0.506 97 K N 2.041 122.501 120.400 0.100 0.000 2.166 97 K HA 0.456 4.775 4.320 -0.002 0.000 0.273 97 K C 1.183 177.845 176.600 0.102 0.000 1.095 97 K CA 0.462 56.803 56.287 0.090 0.000 0.985 97 K CB -0.607 31.927 32.500 0.058 0.000 1.172 97 K HN 1.048 nan 8.250 nan 0.000 0.401 98 G N 4.660 113.533 108.800 0.120 0.000 2.596 98 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.295 98 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.295 98 G C -1.944 173.007 174.900 0.085 0.000 1.240 98 G CA -0.385 44.780 45.100 0.109 0.000 0.985 98 G HN 0.524 nan 8.290 nan 0.000 0.555 99 P HA 0.396 nan 4.420 nan 0.000 0.237 99 P C 0.948 178.303 177.300 0.092 0.000 1.723 99 P CA 1.007 64.131 63.100 0.039 0.000 0.882 99 P CB 0.087 31.806 31.700 0.032 0.000 1.810 100 A N -0.081 122.821 122.820 0.138 0.000 1.902 100 A HA -0.182 4.137 4.320 -0.002 0.000 0.217 100 A C 1.749 179.400 177.584 0.111 0.000 1.181 100 A CA 1.217 53.311 52.037 0.095 0.000 0.623 100 A CB -1.467 17.583 19.000 0.083 0.000 0.818 100 A HN 0.131 nan 8.150 nan 0.000 0.443 101 F N 0.247 120.256 119.950 0.099 0.000 2.095 101 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 101 F C 2.827 178.722 175.800 0.159 0.000 1.104 101 F CA 1.111 59.249 58.000 0.230 0.000 1.232 101 F CB -0.730 38.481 39.000 0.352 0.000 0.987 101 F HN 0.265 nan 8.300 nan 0.000 0.475 102 A N -0.153 122.833 122.820 0.277 0.000 1.877 102 A HA -0.247 4.072 4.320 -0.002 0.000 0.216 102 A C 2.298 179.939 177.584 0.095 0.000 1.186 102 A CA 1.882 54.014 52.037 0.158 0.000 0.620 102 A CB -0.905 18.152 19.000 0.095 0.000 0.822 102 A HN 0.344 nan 8.150 nan 0.000 0.443 103 R N -0.364 120.171 120.500 0.058 0.000 2.139 103 R HA -0.109 4.230 4.340 -0.002 0.000 0.243 103 R C 1.601 177.886 176.300 -0.025 0.000 1.145 103 R CA 1.667 57.772 56.100 0.009 0.000 0.976 103 R CB -0.170 30.123 30.300 -0.012 0.000 0.866 103 R HN 0.470 nan 8.270 nan 0.000 0.449 104 R N -1.162 119.303 120.500 -0.058 0.000 2.391 104 R HA 0.144 4.482 4.340 -0.002 0.000 0.249 104 R C 0.710 177.037 176.300 0.046 0.000 0.957 104 R CA 0.491 56.525 56.100 -0.110 0.000 1.093 104 R CB 0.797 30.823 30.300 -0.457 0.000 1.156 104 R HN 0.536 nan 8.270 nan 0.000 0.526 105 G N 1.015 109.865 108.800 0.084 0.000 2.195 105 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.246 105 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.246 105 G C 0.289 175.285 174.900 0.159 0.000 0.984 105 G CA -0.330 44.836 45.100 0.111 0.000 0.633 105 G HN 0.299 nan 8.290 nan 0.000 0.525 106 I N 3.479 124.187 120.570 0.231 0.000 2.318 106 I HA 0.256 4.425 4.170 -0.002 0.000 0.285 106 I C 1.293 177.592 176.117 0.304 0.000 1.127 106 I CA 0.138 61.611 61.300 0.289 0.000 1.243 106 I CB 0.085 38.317 38.000 0.388 0.000 1.498 106 I HN 0.298 nan 8.210 nan 0.000 0.535 107 T N -1.516 113.151 114.554 0.189 0.000 2.828 107 T HA 0.124 4.473 4.350 -0.002 0.000 0.290 107 T C 0.998 175.731 174.700 0.055 0.000 1.019 107 T CA -0.639 61.541 62.100 0.132 0.000 1.031 107 T CB 1.426 70.354 68.868 0.101 0.000 1.001 107 T HN 0.288 nan 8.240 nan 0.000 0.531 108 D N 0.699 121.068 120.400 -0.052 0.000 2.149 108 D HA -0.094 4.545 4.640 -0.002 0.000 0.198 108 D C 1.938 178.011 176.300 -0.379 0.000 0.990 108 D CA 1.342 55.091 54.000 -0.419 0.000 0.839 108 D CB -0.212 40.232 40.800 -0.594 0.000 0.948 108 D HN 0.710 nan 8.370 nan 0.000 0.460 109 E N 0.184 120.390 120.200 0.010 0.000 2.077 109 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 109 E C 2.310 179.021 176.600 0.184 0.000 0.989 109 E CA 0.336 56.867 56.400 0.219 0.000 0.800 109 E CB -0.311 29.507 29.700 0.195 0.000 0.746 109 E HN 0.080 nan 8.360 nan 0.000 0.452 110 V N 0.644 120.636 119.914 0.129 0.000 2.343 110 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 110 V C 2.206 178.412 176.094 0.187 0.000 1.051 110 V CA 1.481 63.881 62.300 0.166 0.000 1.036 110 V CB -0.425 31.492 31.823 0.156 0.000 0.654 110 V HN 0.248 nan 8.190 nan 0.000 0.451 111 L N -1.526 119.729 121.223 0.054 0.000 2.042 111 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 111 L C 2.472 179.393 176.870 0.086 0.000 1.076 111 L CA 1.671 56.496 54.840 -0.025 0.000 0.749 111 L CB -0.534 41.413 42.059 -0.187 0.000 0.893 111 L HN 0.427 nan 8.230 nan 0.000 0.432 112 W N 0.357 121.718 121.300 0.101 0.000 2.519 112 W HA -0.065 4.595 4.660 0.000 0.000 0.266 112 W C 2.502 179.048 176.519 0.045 0.000 1.253 112 W CA 0.459 57.844 57.345 0.066 0.000 1.274 112 W CB -0.642 28.854 29.460 0.060 0.000 1.114 112 W HN 0.350 nan 8.180 nan 0.000 0.596 113 Q N -0.993 118.961 119.800 0.257 0.000 2.170 113 Q HA -0.199 4.140 4.340 -0.002 0.000 0.203 113 Q C 1.607 177.577 176.000 -0.050 0.000 0.976 113 Q CA 1.635 57.489 55.803 0.084 0.000 0.858 113 Q CB -0.294 28.468 28.738 0.040 0.000 0.907 113 Q HN 0.387 nan 8.270 nan 0.000 0.433 114 H N -1.183 117.916 119.070 0.050 0.000 2.465 114 H HA 0.130 4.685 4.556 -0.002 0.000 0.289 114 H C 0.094 175.427 175.328 0.008 0.000 1.022 114 H CA 0.562 56.610 56.048 -0.001 0.000 1.340 114 H CB 0.514 30.239 29.762 -0.062 0.000 1.437 114 H HN -0.007 nan 8.280 nan 0.000 0.539 115 N N -0.239 118.561 118.700 0.166 0.000 2.664 115 N HA 0.069 4.808 4.740 -0.002 0.000 0.268 115 N C -2.480 173.179 175.510 0.249 0.000 1.222 115 N CA -1.769 51.366 53.050 0.140 0.000 0.805 115 N CB 1.384 39.924 38.487 0.089 0.000 1.399 115 N HN -0.113 nan 8.380 nan 0.000 0.547 116 P HA -0.035 nan 4.420 nan 0.000 0.230 116 P C 0.316 177.599 177.300 -0.029 0.000 1.158 116 P CA 0.914 64.051 63.100 0.062 0.000 0.769 116 P CB 0.492 32.175 31.700 -0.030 0.000 0.807 117 K N -0.997 119.442 120.400 0.065 0.000 2.374 117 K HA 0.104 4.423 4.320 -0.002 0.000 0.196 117 K C 0.699 177.385 176.600 0.143 0.000 1.023 117 K CA -0.514 55.801 56.287 0.047 0.000 1.103 117 K CB -0.130 32.384 32.500 0.023 0.000 0.848 117 K HN 0.056 nan 8.250 nan 0.000 0.528 118 L N 1.901 123.291 121.223 0.277 0.000 2.540 118 L HA -0.019 4.320 4.340 -0.002 0.000 0.276 118 L C -0.431 176.642 176.870 0.338 0.000 1.212 118 L CA 0.435 55.437 54.840 0.270 0.000 0.893 118 L CB 0.683 42.880 42.059 0.231 0.000 1.138 118 L HN -0.214 nan 8.230 nan 0.000 0.491 119 V N 7.445 127.475 119.914 0.193 0.000 2.385 119 V HA 0.309 4.428 4.120 -0.002 0.000 0.269 119 V C 0.267 176.422 176.094 0.102 0.000 1.043 119 V CA -0.236 62.165 62.300 0.169 0.000 0.906 119 V CB 0.852 32.741 31.823 0.111 0.000 0.995 119 V HN 0.546 nan 8.190 nan 0.000 0.467 120 I N 4.735 125.347 120.570 0.070 0.000 2.355 120 I HA 0.648 4.817 4.170 -0.002 0.000 0.288 120 I C 0.343 176.320 176.117 -0.233 0.000 0.999 120 I CA -0.349 60.879 61.300 -0.119 0.000 1.163 120 I CB 1.622 39.486 38.000 -0.226 0.000 1.316 120 I HN 0.613 nan 8.210 nan 0.000 0.454 121 A N 6.260 128.885 122.820 -0.325 0.000 2.258 121 A HA 0.543 4.862 4.320 -0.002 0.000 0.316 121 A C -0.693 176.647 177.584 -0.406 0.000 1.279 121 A CA -0.515 51.367 52.037 -0.258 0.000 0.876 121 A CB 0.179 19.103 19.000 -0.127 0.000 1.170 121 A HN 0.667 nan 8.150 nan 0.000 0.520 122 H N 3.152 122.157 119.070 -0.107 0.000 2.597 122 H HA 0.307 4.862 4.556 -0.002 0.000 0.303 122 H C -0.971 174.318 175.328 -0.065 0.000 1.057 122 H CA -0.134 55.845 56.048 -0.116 0.000 1.261 122 H CB 1.301 31.031 29.762 -0.053 0.000 1.397 122 H HN 0.516 nan 8.280 nan 0.000 0.461 123 L N 3.633 124.868 121.223 0.020 0.000 2.265 123 L HA 0.232 4.571 4.340 -0.002 0.000 0.289 123 L C 0.094 176.981 176.870 0.029 0.000 1.033 123 L CA -0.301 54.544 54.840 0.009 0.000 0.814 123 L CB 0.790 42.830 42.059 -0.031 0.000 1.203 123 L HN 0.610 nan 8.230 nan 0.000 0.423 124 S N 1.139 116.858 115.700 0.033 0.000 2.661 124 S HA 0.518 4.987 4.470 -0.002 0.000 0.285 124 S C 0.703 175.306 174.600 0.005 0.000 1.138 124 S CA -0.192 58.036 58.200 0.046 0.000 0.855 124 S CB 1.550 64.807 63.200 0.095 0.000 1.136 124 S HN 0.579 nan 8.310 nan 0.000 0.484 125 G N -0.115 108.687 108.800 0.003 0.000 2.402 125 G HA2 0.054 4.013 3.960 -0.002 0.000 0.216 125 G HA3 0.054 4.013 3.960 -0.002 0.000 0.216 125 G C 0.408 175.089 174.900 -0.365 0.000 1.162 125 G CA 0.616 45.587 45.100 -0.214 0.000 0.777 125 G HN 0.625 nan 8.290 nan 0.000 0.539 126 F N -0.024 120.005 119.950 0.131 0.000 2.798 126 F HA 0.465 4.991 4.527 -0.002 0.000 0.328 126 F C 1.109 177.020 175.800 0.185 0.000 1.098 126 F CA 0.157 58.287 58.000 0.217 0.000 1.172 126 F CB 1.204 40.225 39.000 0.036 0.000 1.072 126 F HN 0.415 nan 8.300 nan 0.000 0.555 127 G N 0.527 109.452 108.800 0.209 0.000 2.555 127 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.686 127 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.686 127 G C -0.017 174.938 174.900 0.091 0.000 1.275 127 G CA -0.745 44.409 45.100 0.091 0.000 0.871 127 G HN -0.107 nan 8.290 nan 0.000 0.603 128 Q N -0.988 118.866 119.800 0.090 0.000 2.436 128 Q HA 0.110 4.449 4.340 -0.002 0.000 0.209 128 Q C 0.772 176.898 176.000 0.211 0.000 0.965 128 Q CA 2.040 57.909 55.803 0.110 0.000 0.910 128 Q CB -0.036 28.748 28.738 0.076 0.000 0.980 128 Q HN 0.927 nan 8.270 nan 0.000 0.491 129 Y N -3.960 116.390 120.300 0.083 0.000 2.638 129 Y HA 0.664 5.213 4.550 -0.002 0.000 0.335 129 Y C 0.113 176.086 175.900 0.123 0.000 1.155 129 Y CA -0.556 57.596 58.100 0.086 0.000 1.046 129 Y CB 0.806 39.308 38.460 0.070 0.000 1.303 129 Y HN -0.025 nan 8.280 nan 0.000 0.460 130 G N 0.531 109.418 108.800 0.146 0.000 2.470 130 G HA2 0.355 4.314 3.960 -0.002 0.000 0.145 130 G HA3 0.355 4.314 3.960 -0.002 0.000 0.145 130 G C -0.776 174.207 174.900 0.139 0.000 1.223 130 G CA -0.225 44.916 45.100 0.069 0.000 1.058 130 G HN 1.322 nan 8.290 nan 0.000 0.469 131 T N -1.006 113.625 114.554 0.128 0.000 2.902 131 T HA 0.586 4.935 4.350 -0.002 0.000 0.280 131 T C 0.920 175.661 174.700 0.067 0.000 0.992 131 T CA 0.471 62.639 62.100 0.114 0.000 1.015 131 T CB 1.902 70.860 68.868 0.150 0.000 1.044 131 T HN 0.375 nan 8.240 nan 0.000 0.520 132 E N 0.378 120.595 120.200 0.029 0.000 2.153 132 E HA -0.145 4.204 4.350 -0.002 0.000 0.194 132 E C 1.824 178.371 176.600 -0.088 0.000 0.988 132 E CA 1.045 57.436 56.400 -0.015 0.000 0.811 132 E CB -0.159 29.531 29.700 -0.017 0.000 0.746 132 E HN 0.894 nan 8.360 nan 0.000 0.466 133 E N -0.540 119.575 120.200 -0.142 0.000 2.106 133 E HA -0.168 4.181 4.350 -0.002 0.000 0.192 133 E C 1.234 177.503 176.600 -0.551 0.000 0.984 133 E CA 0.931 57.118 56.400 -0.354 0.000 0.806 133 E CB 0.120 29.536 29.700 -0.472 0.000 0.750 133 E HN 0.287 nan 8.360 nan 0.000 0.458 134 Y N -0.866 119.258 120.300 -0.292 0.000 2.559 134 Y HA 0.091 4.640 4.550 -0.002 0.000 0.279 134 Y C 2.480 178.118 175.900 -0.437 0.000 1.117 134 Y CA 0.821 58.565 58.100 -0.593 0.000 1.263 134 Y CB -0.085 37.992 38.460 -0.638 0.000 1.230 134 Y HN -0.045 nan 8.280 nan 0.000 0.528 135 T N 0.613 115.160 114.554 -0.011 0.000 2.759 135 T HA -0.160 4.189 4.350 -0.002 0.000 0.269 135 T C 1.267 176.007 174.700 0.067 0.000 1.042 135 T CA 1.637 63.781 62.100 0.072 0.000 1.140 135 T CB -0.270 68.647 68.868 0.081 0.000 0.864 135 T HN 0.330 nan 8.240 nan 0.000 0.455 136 N N 0.863 119.563 118.700 0.001 0.000 2.270 136 N HA 0.201 4.939 4.740 -0.002 0.000 0.198 136 N C 0.003 175.522 175.510 0.015 0.000 1.117 136 N CA 0.015 53.073 53.050 0.014 0.000 0.845 136 N CB 0.230 38.712 38.487 -0.009 0.000 0.980 136 N HN 0.397 nan 8.380 nan 0.000 0.486 137 L N 2.374 123.598 121.223 0.003 0.000 2.436 137 L HA 0.241 4.580 4.340 -0.002 0.000 0.265 137 L C -1.717 175.272 176.870 0.198 0.000 1.168 137 L CA -1.425 53.444 54.840 0.049 0.000 0.815 137 L CB 0.224 42.216 42.059 -0.111 0.000 1.109 137 L HN -0.113 nan 8.230 nan 0.000 0.462 138 P HA 0.118 nan 4.420 nan 0.000 0.272 138 P C -1.144 176.253 177.300 0.162 0.000 1.230 138 P CA -0.499 62.685 63.100 0.139 0.000 0.788 138 P CB 0.849 32.635 31.700 0.143 0.000 0.949 139 A N 2.195 124.984 122.820 -0.052 0.000 2.301 139 A HA 0.553 4.872 4.320 -0.002 0.000 0.298 139 A C -1.122 176.284 177.584 -0.298 0.000 1.185 139 A CA -0.217 51.767 52.037 -0.088 0.000 0.830 139 A CB -0.192 18.746 19.000 -0.103 0.000 1.112 139 A HN 0.494 nan 8.150 nan 0.000 0.508 140 Y N 1.150 121.457 120.300 0.011 0.000 2.421 140 Y HA 0.225 4.774 4.550 -0.002 0.000 0.339 140 Y C 1.109 177.024 175.900 0.025 0.000 0.996 140 Y CA -0.618 57.499 58.100 0.029 0.000 1.046 140 Y CB 2.085 40.580 38.460 0.058 0.000 1.226 140 Y HN 0.903 nan 8.280 nan 0.000 0.445 141 N N 0.568 119.378 118.700 0.183 0.000 2.037 141 N HA -0.263 4.476 4.740 -0.002 0.000 0.196 141 N C 1.704 177.307 175.510 0.156 0.000 1.034 141 N CA 2.866 56.005 53.050 0.148 0.000 0.861 141 N CB -0.079 38.535 38.487 0.211 0.000 1.039 141 N HN 0.807 nan 8.380 nan 0.000 0.427 142 T N -1.514 113.151 114.554 0.184 0.000 2.788 142 T HA -0.084 4.265 4.350 -0.002 0.000 0.268 142 T C 2.088 176.874 174.700 0.142 0.000 1.044 142 T CA 1.418 63.603 62.100 0.142 0.000 1.139 142 T CB -0.683 68.253 68.868 0.112 0.000 0.867 142 T HN 0.295 nan 8.240 nan 0.000 0.454 143 I N 1.803 122.469 120.570 0.161 0.000 2.252 143 I HA -0.067 4.102 4.170 -0.002 0.000 0.245 143 I C 3.220 179.423 176.117 0.143 0.000 1.102 143 I CA 1.075 62.474 61.300 0.165 0.000 1.385 143 I CB -0.612 37.510 38.000 0.202 0.000 1.064 143 I HN 0.337 nan 8.210 nan 0.000 0.414 144 A N 0.231 123.099 122.820 0.081 0.000 1.908 144 A HA -0.260 4.058 4.320 -0.002 0.000 0.218 144 A C 2.259 179.930 177.584 0.144 0.000 1.181 144 A CA 1.591 53.662 52.037 0.057 0.000 0.627 144 A CB -0.589 18.413 19.000 0.003 0.000 0.818 144 A HN 0.473 nan 8.150 nan 0.000 0.445 145 Q N -0.837 119.051 119.800 0.147 0.000 2.079 145 Q HA -0.088 4.251 4.340 -0.002 0.000 0.200 145 Q C 2.462 178.586 176.000 0.206 0.000 0.974 145 Q CA 1.275 57.196 55.803 0.197 0.000 0.840 145 Q CB -0.358 28.510 28.738 0.215 0.000 0.898 145 Q HN 0.690 nan 8.270 nan 0.000 0.430 146 A N 0.366 123.299 122.820 0.189 0.000 1.902 146 A HA -0.172 4.147 4.320 -0.002 0.000 0.217 146 A C 1.756 179.469 177.584 0.214 0.000 1.181 146 A CA 1.040 53.184 52.037 0.179 0.000 0.623 146 A CB -0.611 18.493 19.000 0.174 0.000 0.818 146 A HN 0.397 nan 8.150 nan 0.000 0.443 147 F N 1.228 121.223 119.950 0.075 0.000 2.558 147 F HA -0.018 4.508 4.527 -0.002 0.000 0.298 147 F C 2.314 178.148 175.800 0.056 0.000 1.119 147 F CA 1.366 59.392 58.000 0.042 0.000 1.451 147 F CB 0.138 39.141 39.000 0.005 0.000 1.091 147 F HN 0.285 nan 8.300 nan 0.000 0.563 148 S N -1.419 114.385 115.700 0.173 0.000 2.540 148 S HA 0.340 4.809 4.470 -0.002 0.000 0.218 148 S C 1.666 176.339 174.600 0.122 0.000 0.977 148 S CA 0.276 58.577 58.200 0.167 0.000 0.918 148 S CB 0.022 63.347 63.200 0.209 0.000 0.806 148 S HN 0.578 nan 8.310 nan 0.000 0.496 149 G N 0.520 109.370 108.800 0.084 0.000 2.148 149 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.254 149 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.254 149 G C 0.264 175.224 174.900 0.099 0.000 0.981 149 G CA 0.508 45.638 45.100 0.050 0.000 0.670 149 G HN 0.545 nan 8.290 nan 0.000 0.528 150 Y N -0.033 120.287 120.300 0.034 0.000 2.243 150 Y HA 0.343 4.892 4.550 -0.002 0.000 0.293 150 Y C 2.694 178.617 175.900 0.038 0.000 1.124 150 Y CA 1.914 60.038 58.100 0.041 0.000 1.159 150 Y CB -0.217 38.278 38.460 0.058 0.000 1.008 150 Y HN 0.290 nan 8.280 nan 0.000 0.527 151 L N -0.737 120.588 121.223 0.171 0.000 2.017 151 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 151 L C 2.236 179.108 176.870 0.003 0.000 1.073 151 L CA 1.383 56.279 54.840 0.093 0.000 0.745 151 L CB -0.427 41.697 42.059 0.109 0.000 0.894 151 L HN 0.290 nan 8.230 nan 0.000 0.432 152 I N 0.065 120.630 120.570 -0.008 0.000 2.454 152 I HA -0.323 3.846 4.170 -0.002 0.000 0.254 152 I C 2.440 178.505 176.117 -0.086 0.000 1.156 152 I CA 1.657 62.929 61.300 -0.046 0.000 1.433 152 I CB -0.197 37.772 38.000 -0.051 0.000 1.082 152 I HN 0.506 nan 8.210 nan 0.000 0.432 153 Q N -0.884 118.847 119.800 -0.116 0.000 2.392 153 Q HA 0.104 4.443 4.340 -0.002 0.000 0.203 153 Q C 0.352 176.246 176.000 -0.176 0.000 0.917 153 Q CA 0.043 55.755 55.803 -0.153 0.000 0.939 153 Q CB -0.210 28.438 28.738 -0.151 0.000 1.063 153 Q HN 0.450 nan 8.270 nan 0.000 0.516 154 N N 0.684 119.283 118.700 -0.167 0.000 2.495 154 N HA 0.445 5.184 4.740 -0.002 0.000 0.280 154 N C 0.204 175.659 175.510 -0.092 0.000 1.168 154 N CA 0.980 53.948 53.050 -0.137 0.000 0.978 154 N CB 1.554 39.975 38.487 -0.109 0.000 1.191 154 N HN 0.369 nan 8.380 nan 0.000 0.497 155 G N 0.947 109.697 108.800 -0.083 0.000 2.512 155 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.210 155 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.210 155 G C -1.045 173.800 174.900 -0.090 0.000 1.295 155 G CA -0.450 44.604 45.100 -0.077 0.000 0.934 155 G HN 0.617 nan 8.290 nan 0.000 0.554 156 D N -1.342 119.008 120.400 -0.084 0.000 2.326 156 D HA 0.623 5.262 4.640 -0.002 0.000 0.251 156 D C 1.939 178.186 176.300 -0.088 0.000 1.023 156 D CA 0.173 54.121 54.000 -0.087 0.000 0.966 156 D CB 1.669 42.423 40.800 -0.076 0.000 1.156 156 D HN 0.605 nan 8.370 nan 0.000 0.494 157 V N 1.037 120.896 119.914 -0.091 0.000 2.250 157 V HA -0.239 3.880 4.120 -0.002 0.000 0.253 157 V C 0.922 176.971 176.094 -0.075 0.000 1.065 157 V CA 2.149 64.395 62.300 -0.091 0.000 1.039 157 V CB -0.353 31.421 31.823 -0.083 0.000 0.647 157 V HN 0.636 nan 8.190 nan 0.000 0.446 158 D N -1.106 119.256 120.400 -0.062 0.000 2.501 158 D HA 0.255 4.894 4.640 -0.002 0.000 0.226 158 D C 0.381 176.652 176.300 -0.048 0.000 1.198 158 D CA 0.130 54.099 54.000 -0.052 0.000 0.830 158 D CB 0.898 41.672 40.800 -0.043 0.000 1.014 158 D HN 0.410 nan 8.370 nan 0.000 0.496 159 Q N 1.478 121.246 119.800 -0.053 0.000 2.650 159 Q HA 0.243 4.582 4.340 -0.002 0.000 0.239 159 Q C -2.778 173.191 176.000 -0.052 0.000 0.893 159 Q CA -1.530 54.244 55.803 -0.048 0.000 0.755 159 Q CB 2.249 30.958 28.738 -0.048 0.000 1.349 159 Q HN -0.122 nan 8.270 nan 0.000 0.461 163 A N 0.965 123.915 122.820 0.217 0.000 2.425 163 A HA 0.621 4.940 4.320 -0.002 0.000 0.242 163 A C -0.733 176.972 177.584 0.202 0.000 1.077 163 A CA 0.028 52.203 52.037 0.230 0.000 0.781 163 A CB 0.117 19.335 19.000 0.365 0.000 1.020 163 A HN 0.531 nan 8.150 nan 0.000 0.494 164 F N 2.349 122.290 119.950 -0.015 0.000 2.588 164 F HA 0.688 5.214 4.527 -0.002 0.000 0.310 164 F C -2.364 173.383 175.800 -0.087 0.000 1.082 164 F CA -1.870 56.072 58.000 -0.095 0.000 0.929 164 F CB 2.261 41.194 39.000 -0.111 0.000 1.254 164 F HN 0.467 nan 8.300 nan 0.000 0.455 165 P HA 0.339 nan 4.420 nan 0.000 0.296 165 P C -1.463 175.584 177.300 -0.423 0.000 1.306 165 P CA -0.149 62.206 63.100 -1.242 0.000 0.818 165 P CB 0.743 31.677 31.700 -1.277 0.000 0.969 166 Y N -0.119 120.031 120.300 -0.250 0.000 3.396 166 Y HA -0.270 4.279 4.550 -0.002 0.000 0.214 166 Y C 1.745 177.624 175.900 -0.036 0.000 1.203 166 Y CA 1.148 59.170 58.100 -0.130 0.000 1.401 166 Y CB -3.085 35.245 38.460 -0.216 0.000 1.409 166 Y HN 0.340 nan 8.280 nan 0.000 0.594 167 T N -1.217 113.384 114.554 0.078 0.000 2.699 167 T HA -0.264 4.085 4.350 -0.002 0.000 0.268 167 T C 2.089 176.841 174.700 0.086 0.000 1.036 167 T CA 1.676 63.823 62.100 0.079 0.000 1.147 167 T CB -0.255 68.671 68.868 0.097 0.000 0.862 167 T HN 0.703 nan 8.240 nan 0.000 0.446 168 A N 1.719 124.584 122.820 0.075 0.000 1.969 168 A HA -0.128 4.191 4.320 -0.002 0.000 0.218 168 A C 2.097 179.684 177.584 0.005 0.000 1.169 168 A CA 1.558 53.629 52.037 0.057 0.000 0.635 168 A CB -0.507 18.506 19.000 0.021 0.000 0.810 168 A HN 0.341 nan 8.150 nan 0.000 0.445 169 D N -1.128 119.218 120.400 -0.091 0.000 2.117 169 D HA -0.141 4.498 4.640 -0.002 0.000 0.197 169 D C 1.631 177.710 176.300 -0.369 0.000 0.987 169 D CA 1.388 55.230 54.000 -0.263 0.000 0.829 169 D CB -0.384 40.157 40.800 -0.432 0.000 0.961 169 D HN 0.603 nan 8.370 nan 0.000 0.460 170 Y N -0.101 120.033 120.300 -0.278 0.000 2.163 170 Y HA -0.064 4.484 4.550 -0.002 0.000 0.288 170 Y C 2.380 178.155 175.900 -0.208 0.000 1.136 170 Y CA 0.666 58.465 58.100 -0.502 0.000 1.147 170 Y CB -0.811 37.239 38.460 -0.683 0.000 0.987 170 Y HN -0.050 nan 8.280 nan 0.000 0.509 171 F N -0.288 119.668 119.950 0.010 0.000 2.095 171 F HA -0.308 4.218 4.527 -0.002 0.000 0.298 171 F C 2.516 178.318 175.800 0.002 0.000 1.104 171 F CA 1.563 59.563 58.000 -0.000 0.000 1.232 171 F CB -0.388 38.568 39.000 -0.075 0.000 0.987 171 F HN -0.069 nan 8.300 nan 0.000 0.475 172 S N -0.249 115.549 115.700 0.163 0.000 2.368 172 S HA -0.121 4.348 4.470 -0.002 0.000 0.224 172 S C 2.325 176.970 174.600 0.075 0.000 1.029 172 S CA 1.082 59.325 58.200 0.072 0.000 0.988 172 S CB -1.011 62.190 63.200 0.003 0.000 0.838 172 S HN 0.525 nan 8.310 nan 0.000 0.462 173 G N 1.775 110.631 108.800 0.094 0.000 2.421 173 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.216 173 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.216 173 G C 1.392 176.406 174.900 0.190 0.000 1.171 173 G CA 0.839 46.038 45.100 0.165 0.000 0.775 173 G HN 0.397 nan 8.290 nan 0.000 0.543 174 L N 0.965 122.368 121.223 0.300 0.000 2.046 174 L HA -0.007 4.332 4.340 -0.002 0.000 0.208 174 L C 2.959 179.894 176.870 0.108 0.000 1.077 174 L CA 2.446 57.404 54.840 0.197 0.000 0.747 174 L CB -0.940 41.288 42.059 0.282 0.000 0.896 174 L HN 0.193 nan 8.230 nan 0.000 0.432 175 T N -0.201 114.431 114.554 0.130 0.000 2.684 175 T HA -0.210 4.139 4.350 -0.002 0.000 0.267 175 T C 1.916 176.653 174.700 0.062 0.000 1.036 175 T CA 1.437 63.591 62.100 0.091 0.000 1.148 175 T CB -0.552 68.363 68.868 0.077 0.000 0.863 175 T HN 0.540 nan 8.240 nan 0.000 0.436 176 A N 1.370 124.222 122.820 0.053 0.000 1.883 176 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 176 A C 2.568 180.194 177.584 0.070 0.000 1.186 176 A CA 2.319 54.383 52.037 0.045 0.000 0.624 176 A CB -1.391 17.621 19.000 0.019 0.000 0.822 176 A HN 0.498 nan 8.150 nan 0.000 0.444 177 T N 0.015 114.582 114.554 0.021 0.000 2.684 177 T HA -0.156 4.193 4.350 -0.002 0.000 0.267 177 T C 2.020 176.707 174.700 -0.021 0.000 1.036 177 T CA 2.068 64.123 62.100 -0.076 0.000 1.148 177 T CB -0.736 67.896 68.868 -0.393 0.000 0.863 177 T HN 0.609 nan 8.240 nan 0.000 0.436 178 T N 2.168 116.729 114.554 0.012 0.000 2.652 178 T HA -0.063 4.286 4.350 -0.002 0.000 0.267 178 T C 2.437 177.186 174.700 0.082 0.000 1.039 178 T CA 1.300 63.433 62.100 0.055 0.000 1.153 178 T CB -0.700 68.209 68.868 0.067 0.000 0.863 178 T HN 0.448 nan 8.240 nan 0.000 0.428 179 A N 1.470 124.339 122.820 0.082 0.000 1.933 179 A HA 0.157 4.476 4.320 -0.002 0.000 0.218 179 A C 2.655 180.310 177.584 0.118 0.000 1.175 179 A CA 1.872 53.963 52.037 0.090 0.000 0.628 179 A CB -1.130 17.915 19.000 0.076 0.000 0.814 179 A HN 0.522 nan 8.150 nan 0.000 0.444 180 A N -0.725 122.184 122.820 0.149 0.000 1.902 180 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 180 A C 1.987 179.705 177.584 0.222 0.000 1.181 180 A CA 1.663 53.815 52.037 0.191 0.000 0.623 180 A CB -0.485 18.676 19.000 0.269 0.000 0.818 180 A HN 0.387 nan 8.150 nan 0.000 0.443 181 L N -0.486 120.881 121.223 0.241 0.000 2.093 181 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 181 L C 2.926 179.898 176.870 0.170 0.000 1.085 181 L CA 1.740 56.712 54.840 0.219 0.000 0.755 181 L CB -1.340 40.822 42.059 0.173 0.000 0.904 181 L HN 0.421 nan 8.230 nan 0.000 0.435 182 A N -0.773 122.130 122.820 0.138 0.000 1.902 182 A HA -0.122 4.197 4.320 -0.002 0.000 0.217 182 A C 2.474 180.151 177.584 0.156 0.000 1.181 182 A CA 1.719 53.830 52.037 0.124 0.000 0.623 182 A CB -0.775 18.279 19.000 0.090 0.000 0.818 182 A HN 0.385 nan 8.150 nan 0.000 0.443 183 A N -0.632 122.272 122.820 0.141 0.000 1.930 183 A HA 0.004 4.323 4.320 -0.002 0.000 0.217 183 A C 2.103 179.764 177.584 0.128 0.000 1.175 183 A CA 1.615 53.731 52.037 0.131 0.000 0.627 183 A CB -0.587 18.489 19.000 0.128 0.000 0.815 183 A HN 0.641 nan 8.150 nan 0.000 0.443 184 L N -0.546 120.763 121.223 0.143 0.000 2.012 184 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 184 L C 2.342 179.281 176.870 0.116 0.000 1.073 184 L CA 2.899 57.814 54.840 0.124 0.000 0.748 184 L CB -0.879 41.269 42.059 0.148 0.000 0.891 184 L HN 0.649 nan 8.230 nan 0.000 0.431 185 H N -0.548 118.559 119.070 0.062 0.000 2.319 185 H HA -0.249 4.306 4.556 -0.002 0.000 0.297 185 H C 2.250 177.598 175.328 0.033 0.000 1.097 185 H CA 2.406 58.481 56.048 0.045 0.000 1.285 185 H CB -0.011 29.778 29.762 0.044 0.000 1.368 185 H HN 0.255 nan 8.280 nan 0.000 0.495 186 K N -0.006 120.421 120.400 0.044 0.000 2.057 186 K HA -0.070 4.249 4.320 -0.002 0.000 0.207 186 K C 2.164 178.728 176.600 -0.061 0.000 1.049 186 K CA 1.442 57.717 56.287 -0.020 0.000 0.931 186 K CB -0.544 31.992 32.500 0.060 0.000 0.714 186 K HN 0.261 nan 8.250 nan 0.000 0.440 187 V N 1.335 121.235 119.914 -0.022 0.000 2.343 187 V HA -0.223 3.896 4.120 -0.002 0.000 0.247 187 V C 2.369 178.428 176.094 -0.059 0.000 1.051 187 V CA 1.776 64.059 62.300 -0.028 0.000 1.036 187 V CB -0.524 31.305 31.823 0.010 0.000 0.654 187 V HN 0.268 nan 8.190 nan 0.000 0.451 188 R N 0.009 120.460 120.500 -0.083 0.000 2.115 188 R HA -0.059 4.280 4.340 -0.002 0.000 0.230 188 R C 2.125 178.343 176.300 -0.136 0.000 1.111 188 R CA 0.840 56.881 56.100 -0.098 0.000 0.976 188 R CB -0.475 29.771 30.300 -0.089 0.000 0.870 188 R HN 0.538 nan 8.270 nan 0.000 0.445 189 E N -0.397 119.681 120.200 -0.203 0.000 2.158 189 E HA -0.048 4.301 4.350 -0.002 0.000 0.191 189 E C 1.523 178.062 176.600 -0.101 0.000 0.982 189 E CA 1.674 57.967 56.400 -0.179 0.000 0.823 189 E CB 0.197 29.749 29.700 -0.246 0.000 0.766 189 E HN 0.478 nan 8.360 nan 0.000 0.468 190 T N -4.759 109.743 114.554 -0.087 0.000 2.969 190 T HA 0.313 4.662 4.350 -0.002 0.000 0.258 190 T C 1.430 176.091 174.700 -0.064 0.000 0.962 190 T CA 0.612 62.673 62.100 -0.066 0.000 0.903 190 T CB 0.756 69.588 68.868 -0.060 0.000 1.177 190 T HN 0.155 nan 8.240 nan 0.000 0.511 191 G N 1.703 110.466 108.800 -0.063 0.000 2.179 191 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.257 191 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.257 191 G C -0.177 174.679 174.900 -0.073 0.000 1.010 191 G CA 0.606 45.672 45.100 -0.058 0.000 0.736 191 G HN 0.858 nan 8.290 nan 0.000 0.513 192 K N 0.033 120.380 120.400 -0.088 0.000 2.397 192 K HA 0.608 4.927 4.320 -0.002 0.000 0.253 192 K C 1.051 177.571 176.600 -0.133 0.000 0.932 192 K CA -0.199 56.001 56.287 -0.144 0.000 0.795 192 K CB 1.108 33.509 32.500 -0.166 0.000 1.159 192 K HN 0.281 nan 8.250 nan 0.000 0.424 193 G N 1.676 110.360 108.800 -0.193 0.000 2.516 193 G HA2 0.236 4.195 3.960 -0.002 0.000 0.276 193 G HA3 0.236 4.195 3.960 -0.002 0.000 0.276 193 G C -0.824 174.083 174.900 0.011 0.000 1.390 193 G CA 0.171 45.258 45.100 -0.021 0.000 1.050 193 G HN 0.569 nan 8.290 nan 0.000 0.519 194 E N -2.113 118.296 120.200 0.349 0.000 2.390 194 E HA 0.511 4.860 4.350 -0.002 0.000 0.280 194 E C -1.315 175.617 176.600 0.554 0.000 0.992 194 E CA -0.594 56.033 56.400 0.379 0.000 0.790 194 E CB 1.844 31.663 29.700 0.198 0.000 1.248 194 E HN 0.464 nan 8.360 nan 0.000 0.447 195 S N 3.295 119.294 115.700 0.498 0.000 2.478 195 S HA 0.724 5.193 4.470 -0.002 0.000 0.312 195 S C -0.960 173.783 174.600 0.238 0.000 1.094 195 S CA -0.621 57.767 58.200 0.313 0.000 1.081 195 S CB 0.216 63.603 63.200 0.311 0.000 1.007 195 S HN 0.429 nan 8.310 nan 0.000 0.475 196 I N 3.591 124.264 120.570 0.171 0.000 2.406 196 I HA 0.361 4.530 4.170 -0.002 0.000 0.290 196 I C -0.793 175.429 176.117 0.175 0.000 0.999 196 I CA -0.725 60.662 61.300 0.146 0.000 1.124 196 I CB 1.845 39.900 38.000 0.091 0.000 1.289 196 I HN 0.492 nan 8.210 nan 0.000 0.441 197 D N 7.812 128.312 120.400 0.167 0.000 2.485 197 D HA 0.385 5.024 4.640 -0.002 0.000 0.221 197 D C -0.700 175.652 176.300 0.086 0.000 1.112 197 D CA -0.320 53.775 54.000 0.159 0.000 0.911 197 D CB 0.526 41.438 40.800 0.185 0.000 1.019 197 D HN 0.275 nan 8.370 nan 0.000 0.516 198 I N 3.186 123.795 120.570 0.065 0.000 2.287 198 I HA 0.442 4.611 4.170 -0.002 0.000 0.290 198 I C 0.830 176.938 176.117 -0.015 0.000 1.069 198 I CA -0.390 60.917 61.300 0.013 0.000 1.237 198 I CB 1.246 39.254 38.000 0.012 0.000 1.418 198 I HN 0.313 nan 8.210 nan 0.000 0.481 202 E N 1.735 121.545 120.200 -0.650 0.000 2.112 202 E HA 0.066 4.415 4.350 -0.002 0.000 0.190 202 E C 0.800 177.268 176.600 -0.219 0.000 0.979 202 E CA 0.946 57.059 56.400 -0.479 0.000 0.814 202 E CB 0.310 29.686 29.700 -0.539 0.000 0.762 202 E HN 0.217 nan 8.360 nan 0.000 0.460 209 Q N -0.237 119.642 119.800 0.131 0.000 2.319 209 Q HA 0.297 4.636 4.340 -0.002 0.000 0.209 209 Q C 1.601 177.641 176.000 0.067 0.000 0.884 209 Q CA -0.159 55.712 55.803 0.113 0.000 0.938 209 Q CB 0.631 29.436 28.738 0.112 0.000 1.098 209 Q HN 0.610 nan 8.270 nan 0.000 0.517 210 Y N 0.291 120.544 120.300 -0.079 0.000 2.102 210 Y HA -0.248 4.301 4.550 -0.002 0.000 0.280 210 Y C 0.323 175.991 175.900 -0.386 0.000 1.178 210 Y CA 1.430 59.359 58.100 -0.284 0.000 1.146 210 Y CB 0.185 38.372 38.460 -0.456 0.000 0.968 210 Y HN -0.063 nan 8.280 nan 0.000 0.504 215 Y N 1.542 121.803 120.300 -0.064 0.000 2.165 215 Y HA -0.179 4.370 4.550 -0.002 0.000 0.286 215 Y C 1.886 177.775 175.900 -0.018 0.000 1.155 215 Y CA 1.851 59.889 58.100 -0.103 0.000 1.164 215 Y CB -0.284 38.036 38.460 -0.234 0.000 0.978 215 Y HN -0.102 nan 8.280 nan 0.000 0.513 216 F N 0.333 120.273 119.950 -0.017 0.000 2.365 216 F HA -0.097 4.429 4.527 -0.002 0.000 0.300 216 F C 1.139 176.857 175.800 -0.136 0.000 1.090 216 F CA 0.980 58.926 58.000 -0.090 0.000 1.408 216 F CB -0.448 38.578 39.000 0.044 0.000 1.060 216 F HN 0.184 nan 8.300 nan 0.000 0.534 217 N N -0.750 117.986 118.700 0.061 0.000 2.497 217 N HA 0.257 4.996 4.740 -0.002 0.000 0.284 217 N C 1.246 176.740 175.510 -0.026 0.000 1.459 217 N CA 0.773 53.834 53.050 0.018 0.000 0.899 217 N CB 1.064 39.576 38.487 0.043 0.000 1.316 217 N HN 0.274 nan 8.380 nan 0.000 0.500 218 G N -0.390 108.362 108.800 -0.080 0.000 2.213 218 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.236 218 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.236 218 G C 0.547 175.418 174.900 -0.049 0.000 0.991 218 G CA -0.024 45.034 45.100 -0.070 0.000 0.629 218 G HN 0.568 nan 8.290 nan 0.000 0.517 219 G N -0.806 107.976 108.800 -0.029 0.000 2.630 219 G HA2 0.618 4.577 3.960 -0.002 0.000 0.223 219 G HA3 0.618 4.577 3.960 -0.002 0.000 0.223 219 G C -0.139 174.790 174.900 0.047 0.000 1.434 219 G CA 0.146 45.254 45.100 0.014 0.000 1.057 219 G HN 0.311 nan 8.290 nan 0.000 0.570 223 P HA 0.448 nan 4.420 nan 0.000 0.274 223 P C -0.209 176.896 177.300 -0.325 0.000 1.256 223 P CA -0.109 62.814 63.100 -0.295 0.000 0.795 223 P CB 0.546 32.083 31.700 -0.272 0.000 1.038 227 K N 3.117 123.455 120.400 -0.103 0.000 3.156 227 K HA -0.221 4.098 4.320 -0.002 0.000 0.266 227 K C 0.974 177.499 176.600 -0.125 0.000 0.966 227 K CA 1.035 57.261 56.287 -0.102 0.000 0.719 227 K CB -1.824 30.627 32.500 -0.082 0.000 1.333 227 K HN 1.753 nan 8.250 nan 0.000 0.468 228 G N -0.282 108.446 108.800 -0.121 0.000 2.162 228 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.260 228 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.260 228 G C -0.035 174.796 174.900 -0.115 0.000 0.976 228 G CA 0.724 45.757 45.100 -0.111 0.000 0.655 228 G HN 0.375 nan 8.290 nan 0.000 0.533 229 K N 0.561 120.872 120.400 -0.148 0.000 2.144 229 K HA 0.355 4.674 4.320 -0.002 0.000 0.270 229 K C 0.089 176.635 176.600 -0.090 0.000 1.005 229 K CA -0.614 55.590 56.287 -0.139 0.000 0.932 229 K CB 0.927 33.313 32.500 -0.191 0.000 1.021 229 K HN 0.263 nan 8.250 nan 0.000 0.462 230 D N 2.617 123.002 120.400 -0.026 0.000 2.525 230 D HA -0.061 4.578 4.640 -0.002 0.000 0.235 230 D C -1.201 175.014 176.300 -0.142 0.000 1.137 230 D CA -0.963 53.021 54.000 -0.026 0.000 0.868 230 D CB 0.823 41.680 40.800 0.095 0.000 1.180 230 D HN 0.230 nan 8.370 nan 0.000 0.465 231 P HA -0.142 nan 4.420 nan 0.000 0.222 231 P C 0.165 177.110 177.300 -0.591 0.000 1.147 231 P CA 1.334 64.115 63.100 -0.531 0.000 0.790 231 P CB 0.158 31.333 31.700 -0.875 0.000 0.780 232 Y N -2.736 117.367 120.300 -0.329 0.000 2.652 232 Y HA 0.242 4.791 4.550 -0.002 0.000 0.275 232 Y C 0.723 176.094 175.900 -0.883 0.000 1.133 232 Y CA -0.379 57.301 58.100 -0.700 0.000 1.246 232 Y CB -0.177 37.748 38.460 -0.892 0.000 1.334 232 Y HN -0.229 nan 8.280 nan 0.000 0.493 233 Y N 0.557 120.837 120.300 -0.033 0.000 2.328 233 Y HA 0.655 5.204 4.550 -0.002 0.000 0.337 233 Y C 0.327 176.257 175.900 0.050 0.000 0.966 233 Y CA -1.980 56.114 58.100 -0.010 0.000 1.136 233 Y CB 0.896 39.373 38.460 0.028 0.000 1.170 233 Y HN -0.033 nan 8.280 nan 0.000 0.470 234 A N 2.034 124.981 122.820 0.211 0.000 2.498 234 A HA 0.438 4.757 4.320 -0.002 0.000 0.239 234 A C 1.340 179.063 177.584 0.233 0.000 1.068 234 A CA 0.620 52.783 52.037 0.211 0.000 0.766 234 A CB -0.663 18.459 19.000 0.203 0.000 1.003 234 A HN 1.587 nan 8.150 nan 0.000 0.497 235 G N 0.193 109.172 108.800 0.297 0.000 2.143 235 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.248 235 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.248 235 G C 0.118 175.144 174.900 0.211 0.000 0.991 235 G CA 0.274 45.493 45.100 0.199 0.000 0.689 235 G HN 1.211 nan 8.290 nan 0.000 0.522 236 C N 0.144 119.627 119.300 0.304 0.000 2.369 236 C HA 0.932 5.391 4.460 -0.002 0.000 0.322 236 C C 1.066 176.216 174.990 0.267 0.000 1.258 236 C CA 0.528 59.689 59.018 0.238 0.000 1.487 236 C CB 0.644 28.489 27.740 0.175 0.000 2.165 236 C HN 2.057 nan 8.230 nan 0.000 0.483 237 G N 2.380 111.333 108.800 0.256 0.000 2.341 237 G HA2 0.123 4.082 3.960 -0.002 0.000 0.196 237 G HA3 0.123 4.082 3.960 -0.002 0.000 0.196 237 G C -1.391 173.647 174.900 0.231 0.000 1.231 237 G CA -0.468 44.732 45.100 0.167 0.000 1.155 237 G HN 0.852 nan 8.290 nan 0.000 0.529 238 L N 0.572 121.822 121.223 0.046 0.000 2.312 238 L HA 0.850 5.189 4.340 -0.002 0.000 0.281 238 L C -0.919 175.894 176.870 -0.095 0.000 1.070 238 L CA -0.689 54.188 54.840 0.062 0.000 0.805 238 L CB 0.728 42.775 42.059 -0.020 0.000 1.174 238 L HN 0.604 nan 8.230 nan 0.000 0.434 239 Y N 3.092 123.498 120.300 0.177 0.000 2.534 239 Y HA 0.441 4.990 4.550 -0.002 0.000 0.345 239 Y C -0.489 175.526 175.900 0.192 0.000 1.031 239 Y CA -0.880 57.325 58.100 0.176 0.000 1.022 239 Y CB 1.768 40.332 38.460 0.173 0.000 1.292 239 Y HN 0.450 nan 8.280 nan 0.000 0.459 240 K N 2.053 122.607 120.400 0.257 0.000 2.211 240 K HA 0.621 4.940 4.320 -0.002 0.000 0.275 240 K C -0.968 175.646 176.600 0.024 0.000 1.024 240 K CA -0.239 56.068 56.287 0.033 0.000 0.887 240 K CB 0.501 32.968 32.500 -0.055 0.000 1.084 240 K HN 0.761 nan 8.250 nan 0.000 0.463 241 C N 1.812 121.076 119.300 -0.059 0.000 2.534 241 C HA 0.418 4.877 4.460 -0.002 0.000 0.398 241 C C 2.030 176.949 174.990 -0.118 0.000 1.609 241 C CA -0.396 58.581 59.018 -0.068 0.000 1.916 241 C CB 0.863 28.559 27.740 -0.072 0.000 1.954 241 C HN 1.008 nan 8.230 nan 0.000 0.508 242 A N 0.850 123.598 122.820 -0.119 0.000 1.933 242 A HA -0.110 4.209 4.320 -0.002 0.000 0.218 242 A C 1.159 178.668 177.584 -0.124 0.000 1.175 242 A CA 2.402 54.365 52.037 -0.123 0.000 0.628 242 A CB -0.414 18.507 19.000 -0.133 0.000 0.814 242 A HN 0.954 nan 8.150 nan 0.000 0.444 243 D N -2.836 117.492 120.400 -0.120 0.000 2.650 243 D HA 0.445 5.084 4.640 -0.002 0.000 0.265 243 D C 0.401 176.632 176.300 -0.115 0.000 1.339 243 D CA 0.598 54.534 54.000 -0.108 0.000 0.816 243 D CB -0.179 40.574 40.800 -0.079 0.000 1.091 243 D HN 0.629 nan 8.370 nan 0.000 0.483 244 G N -0.693 107.998 108.800 -0.181 0.000 2.345 244 G HA2 0.255 4.214 3.960 -0.002 0.000 0.285 244 G HA3 0.255 4.214 3.960 -0.002 0.000 0.285 244 G C -2.049 172.691 174.900 -0.266 0.000 1.297 244 G CA -1.110 43.869 45.100 -0.202 0.000 0.875 244 G HN 0.005 nan 8.290 nan 0.000 0.506 245 Y N -0.106 120.210 120.300 0.027 0.000 2.387 245 Y HA 0.715 5.264 4.550 -0.002 0.000 0.336 245 Y C 0.962 176.903 175.900 0.070 0.000 1.067 245 Y CA -0.498 57.633 58.100 0.051 0.000 1.114 245 Y CB 1.699 40.183 38.460 0.039 0.000 1.208 245 Y HN 0.689 nan 8.280 nan 0.000 0.458 246 I N 0.550 121.281 120.570 0.269 0.000 3.002 246 I HA 0.908 5.077 4.170 -0.002 0.000 0.310 246 I C -0.586 175.691 176.117 0.266 0.000 1.087 246 I CA -1.339 60.097 61.300 0.227 0.000 1.017 246 I CB 1.754 39.870 38.000 0.194 0.000 1.226 246 I HN 0.368 nan 8.210 nan 0.000 0.443 250 L N 3.276 124.439 121.223 -0.101 0.000 2.448 250 L HA 0.211 4.549 4.340 -0.002 0.000 0.278 250 L C -1.079 175.730 176.870 -0.101 0.000 1.201 250 L CA -0.008 54.749 54.840 -0.138 0.000 1.036 250 L CB 0.139 42.147 42.059 -0.085 0.000 1.325 250 L HN 0.194 nan 8.230 nan 0.000 0.441 251 V N 3.426 123.264 119.914 -0.127 0.000 2.686 251 V HA 0.961 5.080 4.120 -0.002 0.000 0.306 251 V C 0.259 176.280 176.094 -0.122 0.000 1.065 251 V CA -0.223 62.007 62.300 -0.117 0.000 0.894 251 V CB 1.301 33.061 31.823 -0.106 0.000 1.004 251 V HN 0.862 nan 8.190 nan 0.000 0.424 252 G N 3.106 111.835 108.800 -0.118 0.000 2.592 252 G HA2 -0.010 3.949 3.960 -0.002 0.000 0.685 252 G HA3 -0.010 3.949 3.960 -0.002 0.000 0.685 252 G C -0.084 174.739 174.900 -0.128 0.000 1.278 252 G CA -0.305 44.728 45.100 -0.111 0.000 0.822 252 G HN 0.620 nan 8.290 nan 0.000 0.652 253 I N 0.529 121.032 120.570 -0.112 0.000 2.113 253 I HA -0.162 4.007 4.170 -0.002 0.000 0.238 253 I C 3.011 179.045 176.117 -0.139 0.000 1.070 253 I CA 2.293 63.520 61.300 -0.123 0.000 1.332 253 I CB -0.426 37.519 38.000 -0.092 0.000 1.044 253 I HN 0.670 nan 8.210 nan 0.000 0.402 254 T N -0.342 114.145 114.554 -0.112 0.000 2.821 254 T HA -0.190 4.159 4.350 -0.002 0.000 0.267 254 T C 1.848 176.472 174.700 -0.127 0.000 1.046 254 T CA 1.133 63.169 62.100 -0.105 0.000 1.139 254 T CB -0.199 68.623 68.868 -0.077 0.000 0.871 254 T HN 0.263 nan 8.240 nan 0.000 0.454 255 Q N 0.744 120.460 119.800 -0.140 0.000 2.030 255 Q HA 0.024 4.363 4.340 -0.002 0.000 0.204 255 Q C 2.258 178.139 176.000 -0.198 0.000 0.986 255 Q CA 1.396 57.098 55.803 -0.168 0.000 0.843 255 Q CB -0.509 28.121 28.738 -0.180 0.000 0.904 255 Q HN 0.507 nan 8.270 nan 0.000 0.420 256 I N 0.378 120.803 120.570 -0.241 0.000 2.179 256 I HA -0.302 3.867 4.170 -0.002 0.000 0.242 256 I C 2.072 177.928 176.117 -0.436 0.000 1.088 256 I CA 1.337 62.406 61.300 -0.386 0.000 1.357 256 I CB -0.286 37.422 38.000 -0.487 0.000 1.051 256 I HN 0.288 nan 8.210 nan 0.000 0.409 257 E N 0.438 120.450 120.200 -0.314 0.000 2.038 257 E HA -0.239 4.110 4.350 -0.002 0.000 0.195 257 E C 2.159 178.696 176.600 -0.105 0.000 1.000 257 E CA 1.254 57.527 56.400 -0.211 0.000 0.803 257 E CB -0.040 29.572 29.700 -0.146 0.000 0.750 257 E HN 0.398 nan 8.360 nan 0.000 0.448 258 E N 0.240 120.380 120.200 -0.101 0.000 2.107 258 E HA -0.146 4.203 4.350 -0.002 0.000 0.191 258 E C 2.190 178.742 176.600 -0.080 0.000 0.982 258 E CA 0.513 56.870 56.400 -0.071 0.000 0.809 258 E CB -0.715 28.945 29.700 -0.066 0.000 0.756 258 E HN 0.282 nan 8.360 nan 0.000 0.459 259 C N 0.426 119.669 119.300 -0.095 0.000 2.429 259 C HA -0.132 4.326 4.460 -0.002 0.000 0.277 259 C C 2.525 177.498 174.990 -0.028 0.000 1.262 259 C CA 0.356 59.302 59.018 -0.121 0.000 1.733 259 C CB -1.323 26.352 27.740 -0.109 0.000 2.010 259 C HN 0.237 nan 8.230 nan 0.000 0.483 260 F N 1.604 121.431 119.950 -0.205 0.000 2.161 260 F HA -0.057 4.469 4.527 -0.002 0.000 0.300 260 F C 2.383 178.083 175.800 -0.166 0.000 1.089 260 F CA 1.710 59.600 58.000 -0.183 0.000 1.282 260 F CB -0.774 38.128 39.000 -0.163 0.000 1.010 260 F HN 0.319 nan 8.300 nan 0.000 0.485 261 K N -0.171 120.257 120.400 0.047 0.000 2.057 261 K HA -0.175 4.144 4.320 -0.002 0.000 0.207 261 K C 1.740 178.304 176.600 -0.060 0.000 1.049 261 K CA 1.596 57.881 56.287 -0.004 0.000 0.931 261 K CB -0.288 32.211 32.500 -0.003 0.000 0.714 261 K HN 0.109 nan 8.250 nan 0.000 0.440 262 D N 0.928 121.233 120.400 -0.159 0.000 2.117 262 D HA -0.141 4.497 4.640 -0.002 0.000 0.197 262 D C 1.767 177.853 176.300 -0.357 0.000 0.987 262 D CA 1.172 54.997 54.000 -0.291 0.000 0.829 262 D CB -0.058 40.353 40.800 -0.648 0.000 0.961 262 D HN 0.393 nan 8.370 nan 0.000 0.460 263 I N -3.971 116.367 120.570 -0.387 0.000 3.793 263 I HA 0.316 4.485 4.170 -0.002 0.000 0.315 263 I C 0.969 177.034 176.117 -0.087 0.000 1.275 263 I CA 0.560 61.706 61.300 -0.258 0.000 1.214 263 I CB 0.195 38.024 38.000 -0.285 0.000 1.018 263 I HN 0.025 nan 8.210 nan 0.000 0.439 264 G N 2.343 111.101 108.800 -0.071 0.000 2.164 264 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.212 264 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.212 264 G C 0.067 174.959 174.900 -0.013 0.000 1.031 264 G CA 0.108 45.209 45.100 0.001 0.000 0.730 264 G HN 0.414 nan 8.290 nan 0.000 0.501 265 L N -0.451 120.678 121.223 -0.158 0.000 3.267 265 L HA 0.428 4.767 4.340 -0.002 0.000 0.289 265 L C 2.277 178.983 176.870 -0.275 0.000 1.260 265 L CA 0.372 54.967 54.840 -0.408 0.000 1.034 265 L CB 0.263 41.869 42.059 -0.754 0.000 1.413 265 L HN 0.294 nan 8.230 nan 0.000 0.594 266 A N 0.183 122.984 122.820 -0.030 0.000 2.024 266 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 266 A C 1.920 179.514 177.584 0.017 0.000 1.164 266 A CA 2.112 54.175 52.037 0.044 0.000 0.643 266 A CB -0.768 18.269 19.000 0.062 0.000 0.806 266 A HN 0.775 nan 8.150 nan 0.000 0.451 267 H N -1.709 117.355 119.070 -0.011 0.000 2.546 267 H HA 0.229 4.784 4.556 -0.002 0.000 0.277 267 H C 1.400 176.696 175.328 -0.053 0.000 1.004 267 H CA 0.948 56.979 56.048 -0.028 0.000 1.231 267 H CB -0.354 29.384 29.762 -0.040 0.000 1.382 267 H HN 0.394 nan 8.280 nan 0.000 0.580 268 L N 0.507 121.474 121.223 -0.426 0.000 2.341 268 L HA 0.115 4.454 4.340 -0.002 0.000 0.214 268 L C 0.410 177.235 176.870 -0.075 0.000 1.115 268 L CA -0.039 54.600 54.840 -0.335 0.000 0.820 268 L CB -0.065 41.707 42.059 -0.479 0.000 0.944 268 L HN 0.236 nan 8.230 nan 0.000 0.452 269 L N 0.784 122.001 121.223 -0.010 0.000 2.477 269 L HA 0.166 4.505 4.340 -0.002 0.000 0.272 269 L C 1.246 178.107 176.870 -0.015 0.000 1.157 269 L CA 0.611 55.435 54.840 -0.027 0.000 0.889 269 L CB 0.121 42.156 42.059 -0.041 0.000 1.158 269 L HN 0.327 nan 8.230 nan 0.000 0.473 270 G N 1.237 110.029 108.800 -0.012 0.000 2.157 270 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.239 270 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.239 270 G C 0.294 175.210 174.900 0.028 0.000 0.982 270 G CA 0.105 45.208 45.100 0.004 0.000 0.650 270 G HN 0.727 nan 8.290 nan 0.000 0.527 271 T N -1.560 113.021 114.554 0.045 0.000 2.828 271 T HA 0.566 4.914 4.350 -0.002 0.000 0.290 271 T C -0.765 173.988 174.700 0.087 0.000 1.019 271 T CA -0.681 61.471 62.100 0.087 0.000 1.031 271 T CB 1.797 70.755 68.868 0.151 0.000 1.001 271 T HN -0.070 nan 8.240 nan 0.000 0.531 272 P HA -0.044 nan 4.420 nan 0.000 0.218 272 P C 1.147 178.496 177.300 0.081 0.000 1.148 272 P CA 0.944 64.085 63.100 0.069 0.000 0.822 272 P CB 0.049 31.784 31.700 0.057 0.000 0.784 273 E N -0.728 119.552 120.200 0.135 0.000 2.107 273 E HA -0.003 4.345 4.350 -0.002 0.000 0.191 273 E C 0.721 177.416 176.600 0.158 0.000 0.982 273 E CA 0.841 57.334 56.400 0.155 0.000 0.809 273 E CB -0.235 29.614 29.700 0.248 0.000 0.756 273 E HN 0.286 nan 8.360 nan 0.000 0.459 274 I N 1.482 122.142 120.570 0.151 0.000 2.833 274 I HA 0.255 4.424 4.170 -0.002 0.000 0.286 274 I C -2.499 173.634 176.117 0.027 0.000 1.287 274 I CA -2.281 59.070 61.300 0.086 0.000 1.046 274 I CB 1.087 39.146 38.000 0.097 0.000 1.612 274 I HN -0.187 nan 8.210 nan 0.000 0.585 275 P HA -0.024 nan 4.420 nan 0.000 0.270 275 P C 0.052 177.338 177.300 -0.024 0.000 1.223 275 P CA -0.164 62.938 63.100 0.004 0.000 0.785 275 P CB 0.584 32.288 31.700 0.007 0.000 0.923 276 E N 0.989 121.174 120.200 -0.026 0.000 2.529 276 E HA 0.100 4.449 4.350 -0.002 0.000 0.259 276 E C 0.915 177.490 176.600 -0.041 0.000 0.966 276 E CA 1.017 57.393 56.400 -0.040 0.000 0.937 276 E CB -0.629 29.054 29.700 -0.029 0.000 0.923 276 E HN 0.780 nan 8.360 nan 0.000 0.468 277 G N 3.301 112.066 108.800 -0.058 0.000 2.176 277 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.232 277 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.232 277 G C 0.313 175.179 174.900 -0.058 0.000 0.986 277 G CA 0.146 45.214 45.100 -0.053 0.000 0.643 277 G HN 0.622 nan 8.290 nan 0.000 0.522 278 T N 0.696 115.208 114.554 -0.069 0.000 2.871 278 T HA 0.308 4.657 4.350 -0.002 0.000 0.296 278 T C 1.222 175.868 174.700 -0.091 0.000 0.998 278 T CA 1.094 63.155 62.100 -0.066 0.000 1.162 278 T CB 1.425 70.249 68.868 -0.073 0.000 0.947 278 T HN 0.429 nan 8.240 nan 0.000 0.536 279 Q N 2.343 122.104 119.800 -0.065 0.000 2.378 279 Q HA 0.383 4.722 4.340 -0.002 0.000 0.229 279 Q C -0.163 175.786 176.000 -0.086 0.000 0.882 279 Q CA 0.377 56.131 55.803 -0.081 0.000 0.936 279 Q CB 0.445 29.142 28.738 -0.069 0.000 1.092 279 Q HN 0.576 nan 8.270 nan 0.000 0.535 280 L N 0.782 121.980 121.223 -0.043 0.000 2.445 280 L HA 0.429 4.768 4.340 -0.002 0.000 0.262 280 L C -1.153 175.800 176.870 0.138 0.000 0.974 280 L CA -0.957 53.881 54.840 -0.004 0.000 0.822 280 L CB 2.300 44.283 42.059 -0.127 0.000 1.339 280 L HN 0.000 nan 8.230 nan 0.000 0.409 281 I N 2.389 123.085 120.570 0.210 0.000 2.306 281 I HA 0.175 4.344 4.170 -0.002 0.000 0.288 281 I C 0.123 176.464 176.117 0.373 0.000 1.036 281 I CA -0.268 61.193 61.300 0.268 0.000 1.221 281 I CB 0.535 38.687 38.000 0.253 0.000 1.385 281 I HN 0.504 nan 8.210 nan 0.000 0.472 282 H N 6.868 126.091 119.070 0.255 0.000 3.015 282 H HA 0.146 4.701 4.556 -0.002 0.000 0.268 282 H C 1.166 176.515 175.328 0.035 0.000 1.113 282 H CA 0.375 56.454 56.048 0.052 0.000 1.479 282 H CB 0.761 30.516 29.762 -0.011 0.000 1.493 282 H HN 0.521 nan 8.280 nan 0.000 0.486 283 R N 3.674 124.209 120.500 0.058 0.000 2.193 283 R HA -0.054 4.285 4.340 -0.002 0.000 0.229 283 R C 1.440 177.831 176.300 0.152 0.000 1.110 283 R CA 1.151 57.316 56.100 0.108 0.000 0.988 283 R CB 0.294 30.617 30.300 0.039 0.000 0.871 283 R HN 0.614 nan 8.270 nan 0.000 0.458 284 I N -0.849 119.893 120.570 0.287 0.000 2.556 284 I HA -0.083 4.086 4.170 -0.002 0.000 0.251 284 I C 1.712 177.892 176.117 0.106 0.000 1.105 284 I CA 0.698 62.120 61.300 0.204 0.000 1.436 284 I CB -0.088 38.059 38.000 0.246 0.000 1.139 284 I HN 0.084 nan 8.210 nan 0.000 0.438 285 E N 0.084 120.312 120.200 0.046 0.000 2.208 285 E HA -0.129 4.220 4.350 -0.002 0.000 0.193 285 E C 0.734 177.321 176.600 -0.021 0.000 0.988 285 E CA 0.475 56.795 56.400 -0.134 0.000 0.828 285 E CB 0.142 29.588 29.700 -0.424 0.000 0.763 285 E HN 0.374 nan 8.360 nan 0.000 0.478 286 C N 1.878 121.221 119.300 0.072 0.000 2.303 286 C HA 0.217 4.676 4.460 -0.002 0.000 0.341 286 C C -1.476 173.537 174.990 0.039 0.000 1.244 286 C CA -2.127 56.941 59.018 0.084 0.000 1.765 286 C CB 0.297 28.141 27.740 0.173 0.000 2.379 286 C HN 0.134 nan 8.230 nan 0.000 0.530 287 P HA -0.111 nan 4.420 nan 0.000 0.220 287 P C 0.292 177.481 177.300 -0.184 0.000 1.144 287 P CA 1.565 64.557 63.100 -0.180 0.000 0.800 287 P CB -0.070 31.423 31.700 -0.345 0.000 0.772 288 Y N -1.287 119.045 120.300 0.054 0.000 2.490 288 Y HA 0.215 4.764 4.550 -0.002 0.000 0.281 288 Y C 2.441 178.371 175.900 0.050 0.000 1.174 288 Y CA 0.230 58.358 58.100 0.045 0.000 1.295 288 Y CB -1.236 37.253 38.460 0.048 0.000 1.062 288 Y HN -0.075 nan 8.280 nan 0.000 0.522 289 G N 1.819 110.731 108.800 0.185 0.000 2.586 289 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.218 289 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.218 289 G C -0.446 174.524 174.900 0.117 0.000 1.216 289 G CA 1.049 46.240 45.100 0.152 0.000 0.786 289 G HN 0.268 nan 8.290 nan 0.000 0.583 290 P HA -0.073 nan 4.420 nan 0.000 0.216 290 P C 1.999 179.343 177.300 0.073 0.000 1.150 290 P CA 0.626 63.768 63.100 0.070 0.000 0.837 290 P CB -0.106 31.624 31.700 0.051 0.000 0.786 291 L N -0.667 120.609 121.223 0.089 0.000 2.056 291 L HA -0.110 4.229 4.340 -0.002 0.000 0.207 291 L C 2.141 179.013 176.870 0.004 0.000 1.078 291 L CA 1.727 56.607 54.840 0.067 0.000 0.749 291 L CB -1.162 40.969 42.059 0.120 0.000 0.901 291 L HN -0.201 nan 8.230 nan 0.000 0.433 292 V N 0.027 119.936 119.914 -0.007 0.000 2.287 292 V HA -0.277 3.842 4.120 -0.002 0.000 0.248 292 V C 2.688 178.788 176.094 0.010 0.000 1.053 292 V CA 1.956 64.204 62.300 -0.086 0.000 1.027 292 V CB -0.737 31.084 31.823 -0.003 0.000 0.646 292 V HN 0.475 nan 8.190 nan 0.000 0.447 293 E N -0.151 120.102 120.200 0.087 0.000 2.077 293 E HA -0.253 4.095 4.350 -0.002 0.000 0.193 293 E C 2.188 178.868 176.600 0.134 0.000 0.989 293 E CA 1.477 57.968 56.400 0.152 0.000 0.800 293 E CB -0.269 29.512 29.700 0.136 0.000 0.746 293 E HN 0.771 nan 8.360 nan 0.000 0.452 294 E N 0.807 121.057 120.200 0.084 0.000 2.038 294 E HA -0.211 4.138 4.350 -0.002 0.000 0.195 294 E C 1.871 178.517 176.600 0.077 0.000 1.000 294 E CA 1.189 57.634 56.400 0.074 0.000 0.803 294 E CB 0.192 29.924 29.700 0.053 0.000 0.750 294 E HN -0.052 nan 8.360 nan 0.000 0.448 295 K N 0.402 120.825 120.400 0.039 0.000 2.097 295 K HA -0.142 4.177 4.320 -0.002 0.000 0.205 295 K C 2.210 178.862 176.600 0.087 0.000 1.050 295 K CA 0.538 56.843 56.287 0.031 0.000 0.938 295 K CB -0.536 31.922 32.500 -0.071 0.000 0.718 295 K HN 0.206 nan 8.250 nan 0.000 0.442 296 L N 2.098 123.367 121.223 0.078 0.000 2.027 296 L HA -0.145 4.194 4.340 -0.002 0.000 0.206 296 L C 1.555 178.570 176.870 0.241 0.000 1.074 296 L CA 1.915 56.833 54.840 0.130 0.000 0.745 296 L CB -0.676 41.419 42.059 0.061 0.000 0.898 296 L HN 0.065 nan 8.230 nan 0.000 0.433 297 D N -0.025 120.531 120.400 0.259 0.000 2.116 297 D HA -0.219 4.420 4.640 -0.002 0.000 0.193 297 D C 2.190 178.609 176.300 0.198 0.000 0.998 297 D CA 1.716 55.874 54.000 0.264 0.000 0.836 297 D CB -0.293 40.627 40.800 0.201 0.000 0.951 297 D HN 0.484 nan 8.370 nan 0.000 0.449 298 A N 0.090 123.013 122.820 0.172 0.000 1.883 298 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 298 A C 2.213 179.908 177.584 0.186 0.000 1.186 298 A CA 1.727 53.850 52.037 0.143 0.000 0.624 298 A CB -1.296 17.778 19.000 0.124 0.000 0.822 298 A HN 0.437 nan 8.150 nan 0.000 0.444 299 W N 0.425 121.767 121.300 0.070 0.000 2.381 299 W HA -0.083 4.576 4.660 -0.002 0.000 0.301 299 W C 1.792 178.418 176.519 0.178 0.000 1.205 299 W CA 1.753 59.169 57.345 0.119 0.000 1.285 299 W CB -0.253 29.253 29.460 0.077 0.000 1.133 299 W HN 0.249 nan 8.180 nan 0.000 0.521 300 L N 0.469 121.856 121.223 0.274 0.000 2.093 300 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 300 L C 2.690 179.542 176.870 -0.029 0.000 1.085 300 L CA 1.277 56.159 54.840 0.070 0.000 0.755 300 L CB -1.295 40.876 42.059 0.186 0.000 0.904 300 L HN 0.072 nan 8.230 nan 0.000 0.435 301 A N -0.100 122.728 122.820 0.013 0.000 2.019 301 A HA -0.197 4.122 4.320 -0.002 0.000 0.219 301 A C 2.288 179.804 177.584 -0.113 0.000 1.164 301 A CA 2.112 54.127 52.037 -0.036 0.000 0.644 301 A CB -0.793 18.206 19.000 -0.003 0.000 0.805 301 A HN 0.517 nan 8.150 nan 0.000 0.449 302 T N -3.798 110.648 114.554 -0.180 0.000 3.107 302 T HA 0.234 4.583 4.350 -0.002 0.000 0.249 302 T C 0.276 174.668 174.700 -0.514 0.000 1.096 302 T CA 0.016 61.929 62.100 -0.311 0.000 1.012 302 T CB -0.362 68.305 68.868 -0.335 0.000 0.977 302 T HN 0.497 nan 8.240 nan 0.000 0.527 303 H N 1.757 120.596 119.070 -0.384 0.000 2.492 303 H HA 0.540 5.095 4.556 -0.002 0.000 0.345 303 H C 0.435 175.588 175.328 -0.292 0.000 1.136 303 H CA -0.370 55.426 56.048 -0.421 0.000 1.202 303 H CB 1.625 30.955 29.762 -0.720 0.000 1.524 303 H HN 0.245 nan 8.280 nan 0.000 0.506 304 T N -0.417 114.070 114.554 -0.112 0.000 2.868 304 T HA 0.140 4.489 4.350 -0.002 0.000 0.292 304 T C 1.635 176.274 174.700 -0.102 0.000 1.028 304 T CA -0.567 61.473 62.100 -0.101 0.000 1.059 304 T CB 0.619 69.438 68.868 -0.083 0.000 0.991 304 T HN 0.529 nan 8.240 nan 0.000 0.531 305 I N 1.416 121.936 120.570 -0.082 0.000 2.194 305 I HA -0.197 3.972 4.170 -0.002 0.000 0.246 305 I C 2.971 179.046 176.117 -0.070 0.000 1.093 305 I CA 1.888 63.147 61.300 -0.069 0.000 1.355 305 I CB -0.816 37.167 38.000 -0.029 0.000 1.046 305 I HN 0.899 nan 8.210 nan 0.000 0.413 306 A N 0.161 122.950 122.820 -0.053 0.000 1.940 306 A HA -0.248 4.070 4.320 -0.002 0.000 0.219 306 A C 2.219 179.772 177.584 -0.053 0.000 1.176 306 A CA 1.890 53.903 52.037 -0.039 0.000 0.631 306 A CB -0.585 18.398 19.000 -0.027 0.000 0.814 306 A HN 0.478 nan 8.150 nan 0.000 0.446 307 E N -0.573 119.583 120.200 -0.072 0.000 2.106 307 E HA -0.091 4.258 4.350 -0.002 0.000 0.192 307 E C 1.984 178.477 176.600 -0.179 0.000 0.984 307 E CA 1.154 57.505 56.400 -0.081 0.000 0.806 307 E CB -0.180 29.505 29.700 -0.026 0.000 0.750 307 E HN 0.411 nan 8.360 nan 0.000 0.458 308 V N 1.448 121.198 119.914 -0.274 0.000 2.307 308 V HA -0.255 3.864 4.120 -0.002 0.000 0.245 308 V C 2.074 177.951 176.094 -0.362 0.000 1.045 308 V CA 1.700 63.718 62.300 -0.469 0.000 1.024 308 V CB -0.374 31.135 31.823 -0.523 0.000 0.651 308 V HN 0.167 nan 8.190 nan 0.000 0.449 309 K N -0.077 120.229 120.400 -0.156 0.000 2.074 309 K HA -0.278 4.041 4.320 -0.002 0.000 0.209 309 K C 2.249 178.869 176.600 0.034 0.000 1.048 309 K CA 2.089 58.369 56.287 -0.012 0.000 0.926 309 K CB -0.204 32.304 32.500 0.012 0.000 0.713 309 K HN 0.565 nan 8.250 nan 0.000 0.444 310 E N 0.538 120.740 120.200 0.003 0.000 2.047 310 E HA -0.233 4.116 4.350 -0.002 0.000 0.191 310 E C 2.152 178.792 176.600 0.066 0.000 0.987 310 E CA 1.047 57.466 56.400 0.032 0.000 0.799 310 E CB 0.104 29.813 29.700 0.016 0.000 0.752 310 E HN 0.011 nan 8.360 nan 0.000 0.449 311 R N -0.046 120.490 120.500 0.060 0.000 2.075 311 R HA -0.097 4.242 4.340 -0.002 0.000 0.232 311 R C 2.016 178.484 176.300 0.279 0.000 1.126 311 R CA 1.408 57.594 56.100 0.142 0.000 0.963 311 R CB -0.784 29.620 30.300 0.174 0.000 0.858 311 R HN 0.209 nan 8.270 nan 0.000 0.435 312 F N 0.537 120.522 119.950 0.059 0.000 2.269 312 F HA 0.069 4.595 4.527 -0.002 0.000 0.301 312 F C 2.238 178.047 175.800 0.015 0.000 1.082 312 F CA 0.639 58.656 58.000 0.028 0.000 1.360 312 F CB -1.230 37.793 39.000 0.039 0.000 1.041 312 F HN 0.194 nan 8.300 nan 0.000 0.512 313 A N 0.061 123.006 122.820 0.208 0.000 1.877 313 A HA -0.194 4.125 4.320 -0.002 0.000 0.216 313 A C 2.164 179.796 177.584 0.080 0.000 1.186 313 A CA 1.629 53.733 52.037 0.113 0.000 0.620 313 A CB -0.752 18.299 19.000 0.085 0.000 0.822 313 A HN 0.397 nan 8.150 nan 0.000 0.443 314 E N -0.212 120.040 120.200 0.087 0.000 2.153 314 E HA -0.095 4.254 4.350 -0.002 0.000 0.194 314 E C 1.532 178.159 176.600 0.044 0.000 0.988 314 E CA 0.951 57.387 56.400 0.060 0.000 0.811 314 E CB -0.211 29.528 29.700 0.065 0.000 0.746 314 E HN 0.592 nan 8.360 nan 0.000 0.466 315 L N 0.195 121.454 121.223 0.060 0.000 2.591 315 L HA 0.089 4.428 4.340 -0.002 0.000 0.228 315 L C -0.238 176.608 176.870 -0.040 0.000 1.133 315 L CA 0.060 54.902 54.840 0.003 0.000 0.880 315 L CB -0.516 41.541 42.059 -0.002 0.000 1.033 315 L HN 0.167 nan 8.230 nan 0.000 0.450 316 N N 0.536 119.228 118.700 -0.013 0.000 2.740 316 N HA -0.193 4.546 4.740 -0.002 0.000 0.248 316 N C -0.435 175.026 175.510 -0.083 0.000 1.062 316 N CA 0.201 53.233 53.050 -0.032 0.000 0.704 316 N CB -1.236 37.230 38.487 -0.035 0.000 0.968 316 N HN 0.300 nan 8.380 nan 0.000 0.547 317 I N 0.638 121.134 120.570 -0.124 0.000 2.312 317 I HA 0.419 4.588 4.170 -0.002 0.000 0.290 317 I C 0.837 176.882 176.117 -0.119 0.000 1.008 317 I CA -0.744 60.403 61.300 -0.255 0.000 1.226 317 I CB 1.222 38.799 38.000 -0.705 0.000 1.371 317 I HN 0.191 nan 8.210 nan 0.000 0.468 318 A N 6.480 129.254 122.820 -0.077 0.000 2.477 318 A HA 0.465 4.784 4.320 -0.002 0.000 0.246 318 A C 0.010 177.624 177.584 0.050 0.000 1.078 318 A CA -0.155 51.883 52.037 0.002 0.000 0.770 318 A CB -0.065 18.933 19.000 -0.002 0.000 1.011 318 A HN 0.996 nan 8.150 nan 0.000 0.494 319 C N -0.434 118.937 119.300 0.118 0.000 3.312 319 C HA 0.958 5.417 4.460 -0.002 0.000 0.332 319 C C -0.422 174.655 174.990 0.146 0.000 1.340 319 C CA -0.134 58.993 59.018 0.181 0.000 1.265 319 C CB 0.910 28.866 27.740 0.359 0.000 1.563 319 C HN 2.309 nan 8.230 nan 0.000 0.471 320 A N 1.292 124.198 122.820 0.144 0.000 2.566 320 A HA 0.722 5.041 4.320 -0.002 0.000 0.297 320 A C -0.976 176.679 177.584 0.119 0.000 1.059 320 A CA -0.420 51.686 52.037 0.115 0.000 0.691 320 A CB 1.099 20.158 19.000 0.099 0.000 1.282 320 A HN 1.206 nan 8.150 nan 0.000 0.401 321 K N 1.560 122.020 120.400 0.099 0.000 2.448 321 K HA 0.326 4.645 4.320 -0.002 0.000 0.278 321 K C -0.379 176.284 176.600 0.105 0.000 1.009 321 K CA -0.137 56.209 56.287 0.098 0.000 0.995 321 K CB 0.377 32.919 32.500 0.070 0.000 0.917 321 K HN 0.468 nan 8.250 nan 0.000 0.481 322 V N 6.988 126.979 119.914 0.129 0.000 2.403 322 V HA 0.031 4.150 4.120 -0.002 0.000 0.265 322 V C 0.491 176.641 176.094 0.093 0.000 1.034 322 V CA -0.052 62.314 62.300 0.110 0.000 1.036 322 V CB -0.210 31.685 31.823 0.120 0.000 1.032 322 V HN 0.631 nan 8.190 nan 0.000 0.478 323 L N 5.480 126.742 121.223 0.066 0.000 2.349 323 L HA 0.360 4.699 4.340 -0.002 0.000 0.275 323 L C 1.037 177.924 176.870 0.027 0.000 1.115 323 L CA -0.167 54.698 54.840 0.042 0.000 0.820 323 L CB 1.308 43.383 42.059 0.028 0.000 1.135 323 L HN 0.746 nan 8.230 nan 0.000 0.445 324 T N -0.944 113.620 114.554 0.017 0.000 2.874 324 T HA 0.222 4.571 4.350 -0.002 0.000 0.281 324 T C 1.268 175.957 174.700 -0.019 0.000 0.994 324 T CA -0.935 61.170 62.100 0.007 0.000 1.015 324 T CB 1.689 70.565 68.868 0.014 0.000 1.028 324 T HN 0.244 nan 8.240 nan 0.000 0.523 325 V N 2.094 121.999 119.914 -0.015 0.000 2.392 325 V HA -0.066 4.053 4.120 -0.002 0.000 0.249 325 V C -0.458 175.605 176.094 -0.051 0.000 1.059 325 V CA 1.608 63.891 62.300 -0.028 0.000 1.051 325 V CB -1.678 30.142 31.823 -0.004 0.000 0.658 325 V HN 0.804 nan 8.190 nan 0.000 0.455 326 P HA -0.110 nan 4.420 nan 0.000 0.225 326 P C 1.253 178.514 177.300 -0.064 0.000 1.148 326 P CA 1.033 64.108 63.100 -0.043 0.000 0.779 326 P CB -0.024 31.661 31.700 -0.025 0.000 0.780 327 E N -1.188 118.966 120.200 -0.076 0.000 2.489 327 E HA 0.062 4.411 4.350 -0.002 0.000 0.193 327 E C 1.570 178.063 176.600 -0.177 0.000 1.057 327 E CA 0.071 56.417 56.400 -0.090 0.000 0.866 327 E CB -0.203 29.464 29.700 -0.055 0.000 0.916 327 E HN 0.300 nan 8.360 nan 0.000 0.500 328 L N 0.424 121.481 121.223 -0.276 0.000 2.102 328 L HA -0.067 4.272 4.340 -0.002 0.000 0.202 328 L C 2.184 178.707 176.870 -0.578 0.000 1.076 328 L CA 1.000 55.459 54.840 -0.635 0.000 0.761 328 L CB -0.360 41.278 42.059 -0.702 0.000 0.921 328 L HN 0.089 nan 8.230 nan 0.000 0.444 329 E N 0.479 120.512 120.200 -0.278 0.000 2.118 329 E HA -0.207 4.142 4.350 -0.002 0.000 0.195 329 E C 2.027 178.594 176.600 -0.054 0.000 0.992 329 E CA 1.764 58.092 56.400 -0.120 0.000 0.804 329 E CB -0.029 29.637 29.700 -0.057 0.000 0.741 329 E HN 0.478 nan 8.360 nan 0.000 0.458 330 S N 0.375 116.037 115.700 -0.063 0.000 2.556 330 S HA 0.005 4.474 4.470 -0.002 0.000 0.216 330 S C 0.575 175.176 174.600 0.003 0.000 0.970 330 S CA -0.517 57.673 58.200 -0.016 0.000 0.912 330 S CB -0.097 63.093 63.200 -0.017 0.000 0.790 330 S HN 0.101 nan 8.310 nan 0.000 0.504 331 N N 2.825 121.516 118.700 -0.014 0.000 2.483 331 N HA 0.104 4.843 4.740 -0.002 0.000 0.264 331 N C -1.941 173.646 175.510 0.128 0.000 1.197 331 N CA -1.113 51.972 53.050 0.059 0.000 0.927 331 N CB 1.247 39.784 38.487 0.084 0.000 1.065 331 N HN -0.015 nan 8.380 nan 0.000 0.461 332 P HA -0.152 nan 4.420 nan 0.000 0.216 332 P C 1.104 178.464 177.300 0.100 0.000 1.150 332 P CA 1.312 64.463 63.100 0.085 0.000 0.843 332 P CB 0.282 32.018 31.700 0.060 0.000 0.787 333 Q N -1.446 118.426 119.800 0.120 0.000 2.079 333 Q HA -0.178 4.161 4.340 -0.002 0.000 0.200 333 Q C 1.930 177.972 176.000 0.070 0.000 0.974 333 Q CA 1.702 57.548 55.803 0.073 0.000 0.840 333 Q CB -1.099 27.662 28.738 0.039 0.000 0.898 333 Q HN 0.226 nan 8.270 nan 0.000 0.430 334 Y N -0.957 119.357 120.300 0.022 0.000 2.181 334 Y HA -0.219 4.331 4.550 -0.001 0.000 0.288 334 Y C 2.210 178.126 175.900 0.027 0.000 1.146 334 Y CA 1.366 59.482 58.100 0.026 0.000 1.164 334 Y CB -0.391 38.085 38.460 0.028 0.000 0.982 334 Y HN -0.025 nan 8.280 nan 0.000 0.515 335 V N -0.387 119.640 119.914 0.188 0.000 2.261 335 V HA -0.342 3.777 4.120 -0.002 0.000 0.246 335 V C 2.513 178.652 176.094 0.076 0.000 1.047 335 V CA 1.829 64.196 62.300 0.112 0.000 1.015 335 V CB -1.439 30.434 31.823 0.083 0.000 0.642 335 V HN 0.454 nan 8.190 nan 0.000 0.446 336 A N -0.105 122.751 122.820 0.061 0.000 1.940 336 A HA -0.210 4.109 4.320 -0.002 0.000 0.219 336 A C 2.286 179.885 177.584 0.025 0.000 1.176 336 A CA 1.781 53.840 52.037 0.037 0.000 0.631 336 A CB -0.438 18.579 19.000 0.028 0.000 0.814 336 A HN 0.553 nan 8.150 nan 0.000 0.446 337 R N -0.874 119.635 120.500 0.016 0.000 2.317 337 R HA 0.146 4.485 4.340 -0.002 0.000 0.208 337 R C -0.459 175.850 176.300 0.014 0.000 0.914 337 R CA 0.379 56.477 56.100 -0.004 0.000 1.060 337 R CB 0.020 30.291 30.300 -0.048 0.000 1.015 337 R HN 0.609 nan 8.270 nan 0.000 0.498 338 E N -0.101 120.126 120.200 0.045 0.000 2.360 338 E HA -0.230 4.119 4.350 -0.002 0.000 0.238 338 E C 0.334 176.980 176.600 0.076 0.000 1.186 338 E CA 0.379 56.821 56.400 0.069 0.000 0.719 338 E CB -1.138 28.598 29.700 0.060 0.000 1.236 338 E HN 0.222 nan 8.360 nan 0.000 0.386 339 S N -0.545 115.198 115.700 0.072 0.000 2.402 339 S HA -0.047 4.422 4.470 -0.002 0.000 0.229 339 S C 0.990 175.681 174.600 0.152 0.000 1.021 339 S CA 0.774 59.004 58.200 0.051 0.000 0.974 339 S CB 0.159 63.285 63.200 -0.123 0.000 0.800 339 S HN 0.305 nan 8.310 nan 0.000 0.484 340 I N 0.996 121.695 120.570 0.214 0.000 2.362 340 I HA 0.350 4.519 4.170 -0.002 0.000 0.289 340 I C 0.131 176.350 176.117 0.170 0.000 0.994 340 I CA -0.181 61.242 61.300 0.205 0.000 1.158 340 I CB 2.026 40.147 38.000 0.203 0.000 1.315 340 I HN -0.036 nan 8.210 nan 0.000 0.451 341 T N 4.496 119.172 114.554 0.203 0.000 2.724 341 T HA 0.561 4.910 4.350 -0.002 0.000 0.274 341 T C -1.080 173.757 174.700 0.228 0.000 0.984 341 T CA -0.432 61.788 62.100 0.200 0.000 1.024 341 T CB 1.646 70.633 68.868 0.199 0.000 1.320 341 T HN 0.598 nan 8.240 nan 0.000 0.555 342 Q N -0.159 119.769 119.800 0.213 0.000 2.397 342 Q HA 0.644 4.983 4.340 -0.002 0.000 0.275 342 Q C -1.673 174.494 176.000 0.279 0.000 1.090 342 Q CA -0.862 55.004 55.803 0.106 0.000 0.809 342 Q CB 2.509 31.243 28.738 -0.006 0.000 1.362 342 Q HN 0.741 nan 8.270 nan 0.000 0.431 343 W N -0.488 120.809 121.300 -0.004 0.000 2.988 343 W HA 0.514 5.173 4.660 -0.001 0.000 0.355 343 W C -1.542 174.966 176.519 -0.017 0.000 1.233 343 W CA -0.875 56.461 57.345 -0.015 0.000 1.176 343 W CB 0.774 30.215 29.460 -0.031 0.000 1.477 343 W HN 0.220 nan 8.180 nan 0.000 0.582 344 Q N 2.212 122.111 119.800 0.166 0.000 2.257 344 Q HA 0.291 4.630 4.340 -0.002 0.000 0.255 344 Q C 0.589 176.660 176.000 0.118 0.000 0.920 344 Q CA -0.298 55.531 55.803 0.043 0.000 0.927 344 Q CB 1.687 30.459 28.738 0.058 0.000 1.229 344 Q HN 0.624 nan 8.270 nan 0.000 0.433 348 G N 1.071 109.878 108.800 0.011 0.000 2.149 348 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.235 348 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.235 348 G C -0.015 174.877 174.900 -0.012 0.000 1.018 348 G CA 0.158 45.261 45.100 0.005 0.000 0.728 348 G HN 0.542 nan 8.290 nan 0.000 0.508 349 R N -0.401 120.082 120.500 -0.029 0.000 2.720 349 R HA 0.624 4.963 4.340 -0.002 0.000 0.272 349 R C -0.052 176.185 176.300 -0.105 0.000 0.991 349 R CA -0.504 55.562 56.100 -0.056 0.000 1.010 349 R CB 1.038 31.304 30.300 -0.056 0.000 1.141 349 R HN 0.123 nan 8.270 nan 0.000 0.494 350 T N 1.111 115.592 114.554 -0.122 0.000 2.794 350 T HA 0.153 4.502 4.350 -0.002 0.000 0.296 350 T C -0.584 173.938 174.700 -0.296 0.000 0.949 350 T CA -0.070 61.919 62.100 -0.185 0.000 1.101 350 T CB 0.372 69.165 68.868 -0.125 0.000 0.905 350 T HN 0.449 nan 8.240 nan 0.000 0.516 351 C N 5.025 123.996 119.300 -0.549 0.000 2.417 351 C HA 0.682 5.141 4.460 -0.002 0.000 0.324 351 C C -0.103 174.316 174.990 -0.952 0.000 1.240 351 C CA -0.942 57.606 59.018 -0.784 0.000 1.632 351 C CB 0.417 27.504 27.740 -1.089 0.000 2.241 351 C HN 0.979 nan 8.230 nan 0.000 0.499 352 K N 3.603 123.662 120.400 -0.568 0.000 2.164 352 K HA 0.775 5.094 4.320 -0.002 0.000 0.258 352 K C -0.033 176.470 176.600 -0.162 0.000 0.951 352 K CA -0.010 56.086 56.287 -0.318 0.000 0.844 352 K CB 1.536 33.958 32.500 -0.129 0.000 1.099 352 K HN 1.070 nan 8.250 nan 0.000 0.435 353 G N 2.697 111.590 108.800 0.155 0.000 2.349 353 G HA2 0.240 4.199 3.960 -0.002 0.000 0.294 353 G HA3 0.240 4.199 3.960 -0.002 0.000 0.294 353 G C -3.191 171.940 174.900 0.385 0.000 1.380 353 G CA -1.011 44.308 45.100 0.365 0.000 0.811 353 G HN 0.379 nan 8.290 nan 0.000 0.519 354 P HA 0.111 nan 4.420 nan 0.000 0.266 354 P C -0.015 177.375 177.300 0.151 0.000 1.195 354 P CA -0.270 62.945 63.100 0.192 0.000 0.768 354 P CB 0.551 32.337 31.700 0.143 0.000 0.838 355 N N 2.126 120.898 118.700 0.121 0.000 2.294 355 N HA 0.099 4.838 4.740 -0.002 0.000 0.248 355 N C 0.508 176.047 175.510 0.048 0.000 1.300 355 N CA -0.253 52.842 53.050 0.076 0.000 0.925 355 N CB 0.174 38.709 38.487 0.079 0.000 1.188 355 N HN 0.145 nan 8.380 nan 0.000 0.512 359 K N 0.418 120.644 120.400 -0.291 0.000 2.268 359 K HA 0.483 4.802 4.320 -0.002 0.000 0.276 359 K C -0.694 175.732 176.600 -0.290 0.000 1.080 359 K CA -0.205 55.973 56.287 -0.182 0.000 0.910 359 K CB 0.320 32.767 32.500 -0.089 0.000 1.163 359 K HN 0.186 nan 8.250 nan 0.000 0.465 360 F N 2.362 122.239 119.950 -0.121 0.000 2.438 360 F HA 0.099 4.625 4.527 -0.002 0.000 0.356 360 F C 1.667 177.427 175.800 -0.067 0.000 1.099 360 F CA -0.409 57.513 58.000 -0.129 0.000 1.185 360 F CB 1.036 39.935 39.000 -0.169 0.000 1.115 360 F HN 0.444 nan 8.300 nan 0.000 0.526 361 K N 2.480 122.935 120.400 0.091 0.000 2.001 361 K HA -0.112 4.207 4.320 -0.002 0.000 0.208 361 K C 1.180 177.817 176.600 0.063 0.000 1.048 361 K CA 1.881 58.199 56.287 0.051 0.000 0.932 361 K CB -0.118 32.393 32.500 0.019 0.000 0.715 361 K HN 0.687 nan 8.250 nan 0.000 0.437 362 N N -0.704 118.036 118.700 0.066 0.000 2.290 362 N HA -0.020 4.719 4.740 -0.002 0.000 0.179 362 N C -0.330 175.207 175.510 0.045 0.000 1.016 362 N CA 0.819 53.895 53.050 0.044 0.000 0.871 362 N CB 0.154 38.658 38.487 0.028 0.000 0.987 362 N HN 0.158 nan 8.380 nan 0.000 0.431 363 N N 0.967 119.698 118.700 0.051 0.000 2.844 363 N HA 0.223 4.961 4.740 -0.002 0.000 0.268 363 N C -2.848 172.705 175.510 0.070 0.000 1.574 363 N CA -1.078 51.987 53.050 0.026 0.000 0.838 363 N CB 1.592 40.039 38.487 -0.067 0.000 1.177 363 N HN 0.108 nan 8.380 nan 0.000 0.495 364 P HA 0.067 nan 4.420 nan 0.000 0.269 364 P C 0.627 178.095 177.300 0.280 0.000 1.209 364 P CA 0.090 63.319 63.100 0.214 0.000 0.776 364 P CB 0.784 32.571 31.700 0.146 0.000 0.876 365 G N 1.922 110.938 108.800 0.359 0.000 2.634 365 G HA2 0.438 4.397 3.960 -0.002 0.000 0.255 365 G HA3 0.438 4.397 3.960 -0.002 0.000 0.255 365 G C -0.487 174.521 174.900 0.180 0.000 1.205 365 G CA -0.378 45.017 45.100 0.492 0.000 0.884 365 G HN 0.725 nan 8.290 nan 0.000 0.549 366 Q N -1.483 118.257 119.800 -0.100 0.000 2.482 366 Q HA 0.508 4.847 4.340 -0.002 0.000 0.286 366 Q C -1.484 174.368 176.000 -0.246 0.000 1.007 366 Q CA -0.988 54.641 55.803 -0.290 0.000 0.801 366 Q CB 1.583 30.020 28.738 -0.502 0.000 1.455 366 Q HN 0.393 nan 8.270 nan 0.000 0.398 367 I N 3.004 123.463 120.570 -0.186 0.000 2.291 367 I HA 0.154 4.323 4.170 -0.002 0.000 0.292 367 I C 0.515 176.552 176.117 -0.133 0.000 1.064 367 I CA -0.459 60.700 61.300 -0.235 0.000 1.269 367 I CB 0.257 38.039 38.000 -0.364 0.000 1.418 367 I HN 0.731 nan 8.210 nan 0.000 0.485 368 W N 6.197 127.371 121.300 -0.210 0.000 2.993 368 W HA 0.373 5.032 4.660 -0.001 0.000 0.290 368 W C 0.138 176.630 176.519 -0.044 0.000 1.203 368 W CA -0.274 56.996 57.345 -0.126 0.000 1.582 368 W CB 0.354 29.752 29.460 -0.104 0.000 1.033 368 W HN 0.327 nan 8.180 nan 0.000 0.594 369 R N 0.746 120.757 120.500 -0.815 0.000 2.584 369 R HA 0.405 4.744 4.340 -0.002 0.000 0.276 369 R C 0.264 176.273 176.300 -0.485 0.000 1.046 369 R CA -0.222 55.407 56.100 -0.784 0.000 0.906 369 R CB 1.998 31.339 30.300 -1.598 0.000 1.215 369 R HN 0.006 nan 8.270 nan 0.000 0.449 373 S N -0.214 115.525 115.700 0.065 0.000 2.624 373 S HA 0.263 4.732 4.470 -0.002 0.000 0.263 373 S C 0.338 174.934 174.600 -0.005 0.000 1.287 373 S CA -0.280 57.946 58.200 0.044 0.000 0.990 373 S CB 0.288 63.508 63.200 0.034 0.000 0.950 373 S HN 0.698 nan 8.310 nan 0.000 0.561 374 H N 1.182 120.169 119.070 -0.138 0.000 3.184 374 H HA 0.415 4.970 4.556 -0.002 0.000 0.274 374 H C 1.150 176.369 175.328 -0.181 0.000 0.962 374 H CA 1.384 57.303 56.048 -0.215 0.000 1.441 374 H CB -0.943 28.723 29.762 -0.159 0.000 1.518 374 H HN 1.221 nan 8.280 nan 0.000 0.539 378 T N 1.232 115.757 114.554 -0.047 0.000 2.624 378 T HA -0.225 4.124 4.350 -0.002 0.000 0.268 378 T C 2.124 176.785 174.700 -0.066 0.000 1.041 378 T CA 2.273 64.327 62.100 -0.078 0.000 1.159 378 T CB -0.100 68.697 68.868 -0.118 0.000 0.863 378 T HN 0.329 nan 8.240 nan 0.000 0.434 379 A N 1.363 124.152 122.820 -0.052 0.000 1.883 379 A HA 0.080 4.399 4.320 -0.002 0.000 0.217 379 A C 2.661 180.236 177.584 -0.014 0.000 1.186 379 A CA 2.134 54.149 52.037 -0.036 0.000 0.624 379 A CB -1.202 17.782 19.000 -0.027 0.000 0.822 379 A HN 0.548 nan 8.150 nan 0.000 0.444 380 A N -0.281 122.539 122.820 0.000 0.000 1.902 380 A HA -0.056 4.263 4.320 -0.002 0.000 0.217 380 A C 2.137 179.723 177.584 0.003 0.000 1.181 380 A CA 1.505 53.550 52.037 0.013 0.000 0.623 380 A CB -0.600 18.420 19.000 0.034 0.000 0.818 380 A HN 0.496 nan 8.150 nan 0.000 0.443 381 I N -0.325 120.239 120.570 -0.010 0.000 2.179 381 I HA -0.267 3.902 4.170 -0.002 0.000 0.242 381 I C 2.405 178.514 176.117 -0.012 0.000 1.088 381 I CA 1.228 62.514 61.300 -0.024 0.000 1.357 381 I CB -0.311 37.668 38.000 -0.035 0.000 1.051 381 I HN 0.287 nan 8.210 nan 0.000 0.409 382 L N 0.416 121.620 121.223 -0.031 0.000 2.056 382 L HA -0.222 4.117 4.340 -0.002 0.000 0.207 382 L C 2.629 179.576 176.870 0.127 0.000 1.078 382 L CA 1.339 56.166 54.840 -0.021 0.000 0.749 382 L CB -0.588 41.362 42.059 -0.183 0.000 0.901 382 L HN 0.243 nan 8.230 nan 0.000 0.433 383 K N 0.626 121.069 120.400 0.072 0.000 2.057 383 K HA -0.197 4.122 4.320 -0.002 0.000 0.207 383 K C 1.773 178.409 176.600 0.060 0.000 1.049 383 K CA 1.628 57.961 56.287 0.076 0.000 0.931 383 K CB -0.106 32.418 32.500 0.039 0.000 0.714 383 K HN 0.393 nan 8.250 nan 0.000 0.440 384 N N 0.767 119.490 118.700 0.037 0.000 2.289 384 N HA -0.130 4.609 4.740 -0.002 0.000 0.184 384 N C 1.554 177.076 175.510 0.021 0.000 1.016 384 N CA 1.301 54.360 53.050 0.015 0.000 0.872 384 N CB -0.131 38.351 38.487 -0.008 0.000 0.973 384 N HN 0.416 nan 8.380 nan 0.000 0.433 385 I N -3.758 116.849 120.570 0.062 0.000 3.855 385 I HA 0.389 4.558 4.170 -0.002 0.000 0.327 385 I C 0.703 176.846 176.117 0.043 0.000 1.359 385 I CA -0.093 61.246 61.300 0.065 0.000 1.142 385 I CB 0.237 38.292 38.000 0.093 0.000 1.041 385 I HN -0.069 nan 8.210 nan 0.000 0.403 386 G N 0.734 109.548 108.800 0.024 0.000 2.131 386 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.201 386 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.201 386 G C -0.371 174.425 174.900 -0.173 0.000 1.000 386 G CA -0.450 44.601 45.100 -0.082 0.000 0.680 386 G HN 0.452 nan 8.290 nan 0.000 0.514 387 Y N 1.807 122.092 120.300 -0.024 0.000 2.308 387 Y HA 0.560 5.108 4.550 -0.002 0.000 0.329 387 Y C 1.260 177.148 175.900 -0.020 0.000 1.111 387 Y CA 0.112 58.198 58.100 -0.022 0.000 1.179 387 Y CB 1.468 39.912 38.460 -0.026 0.000 1.201 387 Y HN 0.389 nan 8.280 nan 0.000 0.483 388 S N 0.791 116.555 115.700 0.108 0.000 2.655 388 S HA 0.111 4.580 4.470 -0.002 0.000 0.265 388 S C 1.109 175.752 174.600 0.071 0.000 1.240 388 S CA -0.485 57.751 58.200 0.061 0.000 0.986 388 S CB 1.244 64.461 63.200 0.028 0.000 0.985 388 S HN 0.770 nan 8.310 nan 0.000 0.562 389 E N 1.126 121.349 120.200 0.038 0.000 2.077 389 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 389 E C 1.623 178.237 176.600 0.023 0.000 0.989 389 E CA 1.713 58.128 56.400 0.025 0.000 0.800 389 E CB -0.460 29.248 29.700 0.013 0.000 0.746 389 E HN 0.689 nan 8.360 nan 0.000 0.452 390 N N 1.037 119.751 118.700 0.024 0.000 2.069 390 N HA -0.153 4.586 4.740 -0.002 0.000 0.191 390 N C 1.249 176.781 175.510 0.036 0.000 1.031 390 N CA 1.538 54.601 53.050 0.022 0.000 0.852 390 N CB -0.470 38.027 38.487 0.018 0.000 1.018 390 N HN 0.245 nan 8.380 nan 0.000 0.423 391 D N 0.423 120.864 120.400 0.069 0.000 2.104 391 D HA -0.091 4.548 4.640 -0.002 0.000 0.194 391 D C 2.084 178.428 176.300 0.073 0.000 0.994 391 D CA 0.718 54.792 54.000 0.124 0.000 0.830 391 D CB -0.318 40.649 40.800 0.279 0.000 0.959 391 D HN 0.308 nan 8.370 nan 0.000 0.452 392 I N 0.795 121.391 120.570 0.043 0.000 2.202 392 I HA -0.247 3.922 4.170 -0.002 0.000 0.242 392 I C 2.423 178.517 176.117 -0.039 0.000 1.091 392 I CA 0.851 62.131 61.300 -0.033 0.000 1.368 392 I CB -0.181 37.801 38.000 -0.030 0.000 1.058 392 I HN -0.076 nan 8.210 nan 0.000 0.410 393 Q N 0.455 120.244 119.800 -0.018 0.000 2.135 393 Q HA -0.268 4.071 4.340 -0.002 0.000 0.204 393 Q C 1.997 177.984 176.000 -0.023 0.000 0.981 393 Q CA 1.641 57.430 55.803 -0.024 0.000 0.856 393 Q CB -0.417 28.312 28.738 -0.014 0.000 0.902 393 Q HN 0.505 nan 8.270 nan 0.000 0.425 394 E N 0.745 120.939 120.200 -0.010 0.000 2.058 394 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 394 E C 2.050 178.637 176.600 -0.022 0.000 0.997 394 E CA 0.997 57.393 56.400 -0.007 0.000 0.801 394 E CB -0.314 29.394 29.700 0.012 0.000 0.746 394 E HN 0.301 nan 8.360 nan 0.000 0.450 395 L N -0.360 120.841 121.223 -0.037 0.000 2.042 395 L HA -0.204 4.135 4.340 -0.002 0.000 0.210 395 L C 2.482 179.312 176.870 -0.067 0.000 1.076 395 L CA 1.131 55.933 54.840 -0.063 0.000 0.749 395 L CB -0.466 41.525 42.059 -0.112 0.000 0.893 395 L HN 0.130 nan 8.230 nan 0.000 0.432 396 V N -1.290 118.583 119.914 -0.069 0.000 2.343 396 V HA -0.269 3.849 4.120 -0.002 0.000 0.247 396 V C 2.564 178.623 176.094 -0.057 0.000 1.051 396 V CA 1.949 64.205 62.300 -0.073 0.000 1.036 396 V CB -0.434 31.345 31.823 -0.074 0.000 0.654 396 V HN 0.361 nan 8.190 nan 0.000 0.451 397 S N -0.422 115.252 115.700 -0.043 0.000 2.370 397 S HA -0.216 4.253 4.470 -0.002 0.000 0.226 397 S C 1.843 176.425 174.600 -0.031 0.000 1.033 397 S CA 1.499 59.679 58.200 -0.033 0.000 1.011 397 S CB -0.284 62.902 63.200 -0.023 0.000 0.852 397 S HN 0.596 nan 8.310 nan 0.000 0.457 398 K N 0.307 120.689 120.400 -0.030 0.000 2.525 398 K HA 0.130 4.449 4.320 -0.002 0.000 0.192 398 K C 1.200 177.783 176.600 -0.028 0.000 1.029 398 K CA 0.466 56.739 56.287 -0.024 0.000 1.029 398 K CB -0.082 32.407 32.500 -0.019 0.000 0.814 398 K HN 0.450 nan 8.250 nan 0.000 0.503 399 G N 1.484 110.259 108.800 -0.040 0.000 2.153 399 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.252 399 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.252 399 G C 0.556 175.428 174.900 -0.046 0.000 0.994 399 G CA 0.138 45.211 45.100 -0.045 0.000 0.698 399 G HN 0.304 nan 8.290 nan 0.000 0.521 400 L N -0.758 120.434 121.223 -0.053 0.000 2.585 400 L HA 0.592 4.931 4.340 -0.002 0.000 0.226 400 L C 1.299 178.117 176.870 -0.086 0.000 1.113 400 L CA 0.823 55.628 54.840 -0.058 0.000 0.876 400 L CB 0.041 42.069 42.059 -0.052 0.000 1.072 400 L HN 0.600 nan 8.230 nan 0.000 0.468 401 A N 0.217 122.977 122.820 -0.100 0.000 2.606 401 A HA 0.629 4.948 4.320 -0.002 0.000 0.293 401 A C -1.259 176.237 177.584 -0.145 0.000 1.082 401 A CA -0.568 51.392 52.037 -0.129 0.000 0.685 401 A CB 2.018 20.930 19.000 -0.146 0.000 1.284 401 A HN -0.039 nan 8.150 nan 0.000 0.408 402 K N 1.248 121.534 120.400 -0.190 0.000 2.471 402 K HA 0.635 4.954 4.320 -0.002 0.000 0.252 402 K C -0.356 176.106 176.600 -0.230 0.000 0.938 402 K CA -0.541 55.603 56.287 -0.237 0.000 0.796 402 K CB 1.823 34.099 32.500 -0.373 0.000 1.161 402 K HN 0.944 nan 8.250 nan 0.000 0.425 403 V N 0.080 119.888 119.914 -0.178 0.000 3.653 403 V HA 0.429 4.548 4.120 -0.002 0.000 0.281 403 V C 0.132 176.142 176.094 -0.141 0.000 1.132 403 V CA -0.623 61.594 62.300 -0.140 0.000 0.915 403 V CB 0.297 32.063 31.823 -0.096 0.000 1.241 403 V HN 0.808 nan 8.190 nan 0.000 0.441 404 E N 1.112 121.257 120.200 -0.093 0.000 2.442 404 E HA 0.055 4.404 4.350 -0.002 0.000 0.262 404 E C -0.557 175.998 176.600 -0.075 0.000 1.004 404 E CA -0.141 56.215 56.400 -0.073 0.000 0.928 404 E CB 0.116 29.793 29.700 -0.038 0.000 0.937 404 E HN 0.640 nan 8.360 nan 0.000 0.446 405 D N 0.000 120.361 120.400 -0.065 0.000 6.856 405 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 405 D CA 0.000 53.968 54.000 -0.053 0.000 0.868 405 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683