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_B 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 0.000 176.868 176.870 -0.004 0.000 1.165 4 L CA 0.000 54.800 54.840 -0.067 0.000 0.813 4 L CB 0.000 41.926 42.059 -0.222 0.000 0.961 8 K N 1.557 121.984 120.400 0.045 0.000 2.253 8 K HA 0.659 4.974 4.320 -0.008 0.000 0.277 8 K C -0.473 176.217 176.600 0.149 0.000 1.053 8 K CA -0.365 55.933 56.287 0.018 0.000 0.892 8 K CB 0.644 33.131 32.500 -0.021 0.000 1.102 8 K HN 0.508 nan 8.250 nan 0.000 0.469 9 F N -0.835 119.069 119.950 -0.075 0.000 2.741 9 F HA 0.636 5.158 4.527 -0.008 0.000 0.311 9 F C -0.258 175.516 175.800 -0.043 0.000 1.149 9 F CA -0.568 57.405 58.000 -0.045 0.000 0.930 9 F CB 0.818 39.805 39.000 -0.021 0.000 1.312 9 F HN 0.679 nan 8.300 nan 0.000 0.450 10 G N 1.311 110.121 108.800 0.016 0.000 2.781 10 G HA2 -0.034 3.921 3.960 -0.008 0.000 0.683 10 G HA3 -0.034 3.921 3.960 -0.008 0.000 0.683 10 G C -2.388 172.348 174.900 -0.272 0.000 1.390 10 G CA -0.475 44.532 45.100 -0.154 0.000 0.850 10 G HN 0.744 nan 8.290 nan 0.000 0.557 11 P HA -0.013 nan 4.420 nan 0.000 0.222 11 P C 1.497 178.683 177.300 -0.190 0.000 1.147 11 P CA 1.173 64.061 63.100 -0.353 0.000 0.790 11 P CB 0.080 31.419 31.700 -0.601 0.000 0.780 12 L N -1.314 119.813 121.223 -0.160 0.000 2.818 12 L HA 0.344 4.680 4.340 -0.008 0.000 0.243 12 L C 0.932 177.730 176.870 -0.120 0.000 1.185 12 L CA -0.753 54.053 54.840 -0.057 0.000 0.988 12 L CB -0.393 41.717 42.059 0.084 0.000 1.292 12 L HN -0.184 nan 8.230 nan 0.000 0.519 13 A N 0.459 123.153 122.820 -0.210 0.000 2.584 13 A HA 0.313 4.628 4.320 -0.008 0.000 0.239 13 A C 1.529 179.040 177.584 -0.122 0.000 1.043 13 A CA 1.067 52.973 52.037 -0.217 0.000 0.756 13 A CB -0.255 18.627 19.000 -0.196 0.000 0.963 13 A HN 0.700 nan 8.150 nan 0.000 0.511 14 G N 0.646 109.379 108.800 -0.112 0.000 2.225 14 G HA2 -0.166 3.789 3.960 -0.008 0.000 0.254 14 G HA3 -0.166 3.789 3.960 -0.008 0.000 0.254 14 G C 0.172 175.042 174.900 -0.050 0.000 0.988 14 G CA 0.402 45.458 45.100 -0.073 0.000 0.625 14 G HN 1.517 nan 8.290 nan 0.000 0.527 15 L N 1.642 122.842 121.223 -0.038 0.000 2.367 15 L HA 0.650 4.985 4.340 -0.008 0.000 0.275 15 L C 0.715 177.568 176.870 -0.029 0.000 1.129 15 L CA -0.296 54.535 54.840 -0.016 0.000 0.839 15 L CB 0.520 42.597 42.059 0.030 0.000 1.133 15 L HN 0.247 nan 8.230 nan 0.000 0.453 16 R N 4.381 124.856 120.500 -0.042 0.000 2.246 16 R HA 0.596 4.931 4.340 -0.008 0.000 0.332 16 R C -1.312 174.944 176.300 -0.073 0.000 0.974 16 R CA -0.653 55.418 56.100 -0.049 0.000 0.837 16 R CB 1.375 31.645 30.300 -0.049 0.000 1.145 16 R HN 0.435 nan 8.270 nan 0.000 0.467 17 V N 3.772 123.640 119.914 -0.076 0.000 2.604 17 V HA 0.489 4.604 4.120 -0.008 0.000 0.305 17 V C -0.266 175.837 176.094 0.015 0.000 1.043 17 V CA -0.847 61.373 62.300 -0.133 0.000 0.888 17 V CB 2.255 33.858 31.823 -0.366 0.000 0.995 17 V HN 0.393 nan 8.190 nan 0.000 0.429 18 V N 4.893 124.861 119.914 0.090 0.000 2.656 18 V HA 0.652 4.767 4.120 -0.008 0.000 0.307 18 V C -0.803 175.475 176.094 0.306 0.000 1.051 18 V CA -0.603 61.820 62.300 0.206 0.000 0.893 18 V CB 1.716 33.694 31.823 0.257 0.000 0.999 18 V HN 0.821 nan 8.190 nan 0.000 0.426 19 F N 1.816 121.869 119.950 0.173 0.000 2.576 19 F HA 0.864 5.387 4.527 -0.008 0.000 0.313 19 F C -0.319 175.593 175.800 0.188 0.000 1.078 19 F CA -0.974 57.057 58.000 0.051 0.000 0.921 19 F CB 2.130 41.107 39.000 -0.038 0.000 1.232 19 F HN 0.368 nan 8.300 nan 0.000 0.459 20 S N 2.562 118.433 115.700 0.285 0.000 2.596 20 S HA 0.889 5.354 4.470 -0.008 0.000 0.318 20 S C -0.477 174.327 174.600 0.340 0.000 1.097 20 S CA 0.371 58.768 58.200 0.328 0.000 1.080 20 S CB 0.374 63.855 63.200 0.467 0.000 0.991 20 S HN 1.832 nan 8.310 nan 0.000 0.471 21 G N 3.193 112.231 108.800 0.398 0.000 2.321 21 G HA2 0.397 4.353 3.960 -0.008 0.000 0.298 21 G HA3 0.397 4.353 3.960 -0.008 0.000 0.298 21 G C -1.423 173.668 174.900 0.320 0.000 1.385 21 G CA -0.253 45.026 45.100 0.297 0.000 0.856 21 G HN 1.317 nan 8.290 nan 0.000 0.584 22 I N -3.306 117.372 120.570 0.181 0.000 3.145 22 I HA 0.976 5.141 4.170 -0.008 0.000 0.313 22 I C 0.463 176.599 176.117 0.032 0.000 1.122 22 I CA -0.595 60.801 61.300 0.159 0.000 0.987 22 I CB 2.192 40.271 38.000 0.130 0.000 1.236 22 I HN 1.004 nan 8.210 nan 0.000 0.453 23 E N 1.048 121.258 120.200 0.016 0.000 3.043 23 E HA -0.282 4.064 4.350 -0.008 0.000 0.368 23 E C 0.185 176.707 176.600 -0.130 0.000 1.459 23 E CA 2.673 59.026 56.400 -0.078 0.000 1.337 23 E CB -1.305 28.310 29.700 -0.142 0.000 1.696 23 E HN 0.750 nan 8.360 nan 0.000 0.520 24 I N -0.425 120.008 120.570 -0.228 0.000 3.341 24 I HA 0.248 4.414 4.170 -0.008 0.000 0.243 24 I C 2.347 178.309 176.117 -0.259 0.000 1.094 24 I CA 0.555 61.677 61.300 -0.297 0.000 1.507 24 I CB -0.599 37.059 38.000 -0.569 0.000 1.441 24 I HN 0.480 nan 8.210 nan 0.000 0.465 25 A N 1.401 124.062 122.820 -0.265 0.000 1.869 25 A HA -0.199 4.116 4.320 -0.008 0.000 0.218 25 A C 2.313 179.826 177.584 -0.119 0.000 1.203 25 A CA 2.551 54.476 52.037 -0.185 0.000 0.638 25 A CB -1.675 17.232 19.000 -0.155 0.000 0.831 25 A HN 0.500 nan 8.150 nan 0.000 0.450 26 G N -0.438 108.279 108.800 -0.139 0.000 2.453 26 G HA2 -0.097 3.858 3.960 -0.008 0.000 0.215 26 G HA3 -0.097 3.858 3.960 -0.008 0.000 0.215 26 G C -0.245 174.410 174.900 -0.408 0.000 1.201 26 G CA 1.260 46.255 45.100 -0.176 0.000 0.784 26 G HN 0.504 nan 8.290 nan 0.000 0.545 27 P HA -0.104 nan 4.420 nan 0.000 0.216 27 P C 1.578 178.463 177.300 -0.693 0.000 1.150 27 P CA 0.616 63.115 63.100 -1.000 0.000 0.837 27 P CB -0.135 31.269 31.700 -0.493 0.000 0.786 28 F N 0.665 120.338 119.950 -0.461 0.000 2.126 28 F HA -0.244 4.279 4.527 -0.007 0.000 0.299 28 F C 2.156 177.774 175.800 -0.303 0.000 1.096 28 F CA 1.661 59.476 58.000 -0.308 0.000 1.255 28 F CB -0.608 38.272 39.000 -0.200 0.000 0.997 28 F HN -0.130 nan 8.300 nan 0.000 0.479 29 A N 0.312 122.967 122.820 -0.274 0.000 1.883 29 A HA -0.101 4.214 4.320 -0.008 0.000 0.217 29 A C 2.443 179.901 177.584 -0.209 0.000 1.186 29 A CA 1.848 53.732 52.037 -0.255 0.000 0.624 29 A CB -1.812 17.126 19.000 -0.104 0.000 0.822 29 A HN 0.516 nan 8.150 nan 0.000 0.444 30 G N -1.203 107.383 108.800 -0.357 0.000 2.402 30 G HA2 -0.055 3.901 3.960 -0.008 0.000 0.216 30 G HA3 -0.055 3.901 3.960 -0.008 0.000 0.216 30 G C 1.165 176.027 174.900 -0.063 0.000 1.162 30 G CA 0.766 45.760 45.100 -0.177 0.000 0.777 30 G HN 0.529 nan 8.290 nan 0.000 0.539 34 A N 0.272 123.139 122.820 0.079 0.000 2.014 34 A HA -0.031 4.284 4.320 -0.008 0.000 0.218 34 A C 1.892 179.584 177.584 0.180 0.000 1.163 34 A CA 1.476 53.610 52.037 0.161 0.000 0.652 34 A CB -0.346 18.758 19.000 0.172 0.000 0.808 34 A HN 0.293 nan 8.150 nan 0.000 0.449 35 E N -0.825 119.360 120.200 -0.024 0.000 2.153 35 E HA -0.177 4.168 4.350 -0.008 0.000 0.194 35 E C 0.598 177.475 176.600 0.461 0.000 0.988 35 E CA 0.874 57.327 56.400 0.087 0.000 0.811 35 E CB -0.142 29.452 29.700 -0.176 0.000 0.746 35 E HN 0.910 nan 8.360 nan 0.000 0.466 36 W N -0.187 121.172 121.300 0.099 0.000 2.966 36 W HA 0.404 5.059 4.660 -0.009 0.000 0.406 36 W C 1.127 177.487 176.519 -0.264 0.000 1.027 36 W CA 0.197 57.526 57.345 -0.026 0.000 1.930 36 W CB 0.220 29.598 29.460 -0.137 0.000 1.144 36 W HN 0.180 nan 8.180 nan 0.000 0.626 37 G N -0.202 108.454 108.800 -0.241 0.000 2.231 37 G HA2 -0.043 3.913 3.960 -0.008 0.000 0.206 37 G HA3 -0.043 3.913 3.960 -0.008 0.000 0.206 37 G C 0.575 175.203 174.900 -0.454 0.000 0.996 37 G CA -0.300 44.180 45.100 -1.033 0.000 0.645 37 G HN 0.388 nan 8.290 nan 0.000 0.498 38 A N 0.322 123.084 122.820 -0.095 0.000 2.406 38 A HA 0.565 4.880 4.320 -0.008 0.000 0.243 38 A C 0.531 178.166 177.584 0.085 0.000 1.082 38 A CA 0.685 52.731 52.037 0.015 0.000 0.786 38 A CB 0.329 19.414 19.000 0.141 0.000 1.029 38 A HN 0.593 nan 8.150 nan 0.000 0.495 39 E N 1.201 121.442 120.200 0.067 0.000 2.052 39 E HA 0.423 4.769 4.350 -0.008 0.000 0.283 39 E C -1.360 175.336 176.600 0.160 0.000 1.071 39 E CA -0.247 56.235 56.400 0.137 0.000 0.851 39 E CB 0.385 30.076 29.700 -0.016 0.000 1.066 39 E HN 0.341 nan 8.360 nan 0.000 0.396 40 V N 6.902 127.015 119.914 0.332 0.000 2.409 40 V HA 0.357 4.473 4.120 -0.008 0.000 0.291 40 V C 0.097 176.395 176.094 0.340 0.000 1.020 40 V CA -0.692 61.781 62.300 0.288 0.000 0.848 40 V CB 1.400 33.409 31.823 0.310 0.000 0.990 40 V HN 0.632 nan 8.190 nan 0.000 0.430 41 I N 4.433 125.116 120.570 0.188 0.000 2.321 41 I HA 0.282 4.447 4.170 -0.008 0.000 0.291 41 I C -0.687 175.387 176.117 -0.072 0.000 0.998 41 I CA -0.267 61.107 61.300 0.123 0.000 1.227 41 I CB 1.131 39.165 38.000 0.056 0.000 1.368 41 I HN 0.711 nan 8.210 nan 0.000 0.466 42 W N 9.517 130.591 121.300 -0.377 0.000 2.342 42 W HA 0.479 5.133 4.660 -0.009 0.000 0.310 42 W C -0.850 175.403 176.519 -0.444 0.000 1.128 42 W CA -1.309 55.516 57.345 -0.867 0.000 1.322 42 W CB 0.281 29.494 29.460 -0.412 0.000 1.251 42 W HN 0.265 nan 8.180 nan 0.000 0.439 43 I N 6.625 127.052 120.570 -0.239 0.000 2.371 43 I HA 0.151 4.316 4.170 -0.008 0.000 0.290 43 I C 0.390 176.426 176.117 -0.136 0.000 1.028 43 I CA -0.194 61.025 61.300 -0.135 0.000 1.345 43 I CB 0.850 38.844 38.000 -0.010 0.000 1.407 43 I HN 0.325 nan 8.210 nan 0.000 0.501 44 E N 5.041 125.116 120.200 -0.208 0.000 2.244 44 E HA 0.343 4.688 4.350 -0.008 0.000 0.266 44 E C -0.773 175.837 176.600 0.016 0.000 0.914 44 E CA -0.995 55.339 56.400 -0.109 0.000 0.794 44 E CB 1.601 31.159 29.700 -0.236 0.000 1.210 44 E HN 0.474 nan 8.360 nan 0.000 0.414 45 N N 0.476 119.226 118.700 0.084 0.000 2.415 45 N HA -0.026 4.710 4.740 -0.008 0.000 0.248 45 N C 0.937 176.520 175.510 0.122 0.000 1.271 45 N CA 0.062 53.172 53.050 0.101 0.000 0.913 45 N CB 1.154 39.739 38.487 0.162 0.000 1.129 45 N HN 0.192 nan 8.380 nan 0.000 0.444 46 V N 1.085 121.010 119.914 0.019 0.000 2.283 46 V HA -0.154 3.961 4.120 -0.008 0.000 0.243 46 V C 2.060 178.106 176.094 -0.081 0.000 1.039 46 V CA 2.182 64.443 62.300 -0.065 0.000 1.016 46 V CB -0.775 30.980 31.823 -0.114 0.000 0.650 46 V HN 0.802 nan 8.190 nan 0.000 0.449 47 A N -1.787 120.907 122.820 -0.211 0.000 2.072 47 A HA 0.050 4.365 4.320 -0.008 0.000 0.216 47 A C 0.545 177.660 177.584 -0.782 0.000 1.156 47 A CA 0.328 52.014 52.037 -0.584 0.000 0.701 47 A CB -0.192 18.315 19.000 -0.822 0.000 0.816 47 A HN 0.642 nan 8.150 nan 0.000 0.458 48 W N -1.340 120.003 121.300 0.073 0.000 2.900 48 W HA 0.655 5.311 4.660 -0.008 0.000 0.336 48 W C 0.084 176.541 176.519 -0.104 0.000 1.064 48 W CA -0.766 56.582 57.345 0.005 0.000 1.237 48 W CB 1.218 30.679 29.460 0.002 0.000 1.391 48 W HN 0.190 nan 8.180 nan 0.000 0.468 49 A N 1.814 124.574 122.820 -0.099 0.000 2.296 49 A HA 0.253 4.568 4.320 -0.008 0.000 0.264 49 A C 0.165 177.703 177.584 -0.076 0.000 1.097 49 A CA -0.278 51.478 52.037 -0.469 0.000 0.811 49 A CB 0.243 18.838 19.000 -0.674 0.000 1.072 49 A HN 0.621 nan 8.150 nan 0.000 0.495 50 D N 0.350 120.741 120.400 -0.014 0.000 2.583 50 D HA -0.027 4.608 4.640 -0.008 0.000 0.232 50 D C 1.764 178.148 176.300 0.141 0.000 1.128 50 D CA 1.080 55.195 54.000 0.191 0.000 0.859 50 D CB 0.751 41.862 40.800 0.518 0.000 1.169 50 D HN 0.602 nan 8.370 nan 0.000 0.481 51 T N 1.866 116.485 114.554 0.107 0.000 2.929 51 T HA -0.218 4.127 4.350 -0.008 0.000 0.271 51 T C 2.091 176.838 174.700 0.078 0.000 1.085 51 T CA 0.465 62.605 62.100 0.067 0.000 1.125 51 T CB -0.165 68.720 68.868 0.028 0.000 0.874 51 T HN 0.429 nan 8.240 nan 0.000 0.494 52 I N 1.710 122.345 120.570 0.108 0.000 2.423 52 I HA -0.089 4.076 4.170 -0.008 0.000 0.254 52 I C 2.505 178.697 176.117 0.125 0.000 1.151 52 I CA 1.022 62.385 61.300 0.105 0.000 1.421 52 I CB -0.311 37.744 38.000 0.092 0.000 1.079 52 I HN 0.171 nan 8.210 nan 0.000 0.431 53 R N -0.843 119.746 120.500 0.148 0.000 2.241 53 R HA -0.067 4.269 4.340 -0.008 0.000 0.224 53 R C 2.138 178.499 176.300 0.102 0.000 1.101 53 R CA 1.020 57.203 56.100 0.138 0.000 0.995 53 R CB -0.365 30.014 30.300 0.130 0.000 0.870 53 R HN 0.275 nan 8.270 nan 0.000 0.463 54 V N 1.084 121.050 119.914 0.088 0.000 2.809 54 V HA -0.122 3.993 4.120 -0.008 0.000 0.256 54 V C 0.814 176.954 176.094 0.078 0.000 1.080 54 V CA 1.156 63.500 62.300 0.074 0.000 1.102 54 V CB -0.218 31.641 31.823 0.060 0.000 0.705 54 V HN 0.264 nan 8.190 nan 0.000 0.475 55 Q N 0.996 120.852 119.800 0.094 0.000 2.289 55 Q HA 0.106 4.442 4.340 -0.008 0.000 0.273 55 Q C -1.297 174.768 176.000 0.108 0.000 1.029 55 Q CA -1.603 54.265 55.803 0.110 0.000 0.896 55 Q CB 0.432 29.262 28.738 0.153 0.000 1.182 55 Q HN 0.273 nan 8.270 nan 0.000 0.385 56 P HA -0.096 nan 4.420 nan 0.000 0.223 56 P C 0.126 177.475 177.300 0.082 0.000 1.151 56 P CA 1.204 64.351 63.100 0.079 0.000 0.787 56 P CB 0.768 32.507 31.700 0.065 0.000 0.788 57 N N -2.598 116.169 118.700 0.112 0.000 2.441 57 N HA -0.035 4.701 4.740 -0.008 0.000 0.257 57 N C 1.567 177.171 175.510 0.157 0.000 1.058 57 N CA -0.095 53.021 53.050 0.109 0.000 0.853 57 N CB -0.638 37.904 38.487 0.092 0.000 1.694 57 N HN -0.095 nan 8.380 nan 0.000 0.542 58 Y N 4.385 124.726 120.300 0.068 0.000 2.096 58 Y HA -0.119 4.427 4.550 -0.007 0.000 0.278 58 Y C -0.929 175.021 175.900 0.082 0.000 1.192 58 Y CA 2.101 60.248 58.100 0.078 0.000 1.143 58 Y CB -1.306 37.191 38.460 0.061 0.000 0.963 58 Y HN 0.097 nan 8.280 nan 0.000 0.505 59 P HA -0.176 nan 4.420 nan 0.000 0.219 59 P C 1.281 178.526 177.300 -0.092 0.000 1.146 59 P CA 1.641 64.654 63.100 -0.145 0.000 0.808 59 P CB -0.147 31.565 31.700 0.021 0.000 0.779 60 Q N -0.840 118.977 119.800 0.028 0.000 2.170 60 Q HA -0.140 4.196 4.340 -0.008 0.000 0.203 60 Q C 2.101 178.242 176.000 0.235 0.000 0.976 60 Q CA 1.066 56.963 55.803 0.158 0.000 0.858 60 Q CB -0.956 27.893 28.738 0.186 0.000 0.907 60 Q HN 0.308 nan 8.270 nan 0.000 0.433 61 L N 0.463 121.755 121.223 0.114 0.000 2.084 61 L HA -0.034 4.301 4.340 -0.008 0.000 0.202 61 L C 2.150 178.862 176.870 -0.263 0.000 1.074 61 L CA 2.093 56.927 54.840 -0.010 0.000 0.757 61 L CB -0.707 41.389 42.059 0.062 0.000 0.918 61 L HN 0.146 nan 8.230 nan 0.000 0.444 62 S N -1.298 114.108 115.700 -0.491 0.000 2.561 62 S HA 0.048 4.513 4.470 -0.008 0.000 0.225 62 S C 1.529 175.898 174.600 -0.385 0.000 0.977 62 S CA 0.112 58.021 58.200 -0.486 0.000 0.926 62 S CB -0.299 62.423 63.200 -0.797 0.000 0.769 62 S HN 0.462 nan 8.310 nan 0.000 0.533 63 R N 1.340 121.635 120.500 -0.343 0.000 2.572 63 R HA 0.246 4.581 4.340 -0.008 0.000 0.370 63 R C 0.257 176.426 176.300 -0.218 0.000 1.005 63 R CA -0.169 55.715 56.100 -0.359 0.000 1.146 63 R CB 0.210 30.228 30.300 -0.470 0.000 1.390 63 R HN 0.680 nan 8.270 nan 0.000 0.553 64 R N 0.466 120.820 120.500 -0.242 0.000 2.707 64 R HA 0.163 4.498 4.340 -0.008 0.000 0.270 64 R C -0.069 176.029 176.300 -0.338 0.000 1.083 64 R CA 0.002 55.919 56.100 -0.304 0.000 1.182 64 R CB 0.212 30.233 30.300 -0.466 0.000 1.084 64 R HN 0.103 nan 8.270 nan 0.000 0.528 65 N N -0.984 117.388 118.700 -0.547 0.000 2.828 65 N HA -0.180 4.555 4.740 -0.008 0.000 0.248 65 N C -0.866 174.478 175.510 -0.277 0.000 1.044 65 N CA 0.652 53.308 53.050 -0.657 0.000 0.851 65 N CB -0.689 37.699 38.487 -0.165 0.000 1.136 65 N HN 0.461 nan 8.380 nan 0.000 0.572 66 L N 0.473 121.556 121.223 -0.234 0.000 2.352 66 L HA 0.458 4.793 4.340 -0.008 0.000 0.269 66 L C 0.145 176.974 176.870 -0.068 0.000 1.034 66 L CA -0.664 54.189 54.840 0.020 0.000 0.806 66 L CB 1.096 43.264 42.059 0.180 0.000 1.244 66 L HN 0.067 nan 8.230 nan 0.000 0.447 67 H N 0.355 119.567 119.070 0.237 0.000 2.472 67 H HA 0.608 5.159 4.556 -0.007 0.000 0.338 67 H C -0.361 175.062 175.328 0.158 0.000 1.133 67 H CA -0.493 55.669 56.048 0.191 0.000 1.216 67 H CB 1.663 31.533 29.762 0.180 0.000 1.497 67 H HN 0.649 nan 8.280 nan 0.000 0.500 68 A N 3.176 126.098 122.820 0.171 0.000 2.287 68 A HA 0.506 4.822 4.320 -0.008 0.000 0.317 68 A C -1.159 176.381 177.584 -0.074 0.000 1.220 68 A CA -0.570 51.454 52.037 -0.022 0.000 0.835 68 A CB 0.226 19.131 19.000 -0.160 0.000 1.180 68 A HN 0.531 nan 8.150 nan 0.000 0.500 69 L N 2.754 123.901 121.223 -0.126 0.000 2.333 69 L HA 0.719 5.054 4.340 -0.008 0.000 0.280 69 L C -0.077 176.690 176.870 -0.172 0.000 1.004 69 L CA 0.071 54.839 54.840 -0.120 0.000 0.820 69 L CB 2.025 44.041 42.059 -0.071 0.000 1.247 69 L HN 0.494 nan 8.230 nan 0.000 0.416 70 S N 5.500 121.095 115.700 -0.175 0.000 2.498 70 S HA 0.816 5.281 4.470 -0.008 0.000 0.324 70 S C -1.178 173.330 174.600 -0.153 0.000 1.071 70 S CA -0.452 57.645 58.200 -0.171 0.000 1.113 70 S CB 0.311 63.337 63.200 -0.289 0.000 0.976 70 S HN 0.658 nan 8.310 nan 0.000 0.462 71 L N 5.068 126.217 121.223 -0.123 0.000 2.549 71 L HA 0.537 4.872 4.340 -0.008 0.000 0.259 71 L C -1.142 175.649 176.870 -0.131 0.000 0.934 71 L CA -0.384 54.377 54.840 -0.132 0.000 0.865 71 L CB 2.083 44.064 42.059 -0.129 0.000 1.352 71 L HN 0.627 nan 8.230 nan 0.000 0.410 72 N N 4.580 123.209 118.700 -0.119 0.000 2.482 72 N HA 0.196 4.932 4.740 -0.008 0.000 0.242 72 N C 0.928 176.318 175.510 -0.200 0.000 1.100 72 N CA -0.212 52.775 53.050 -0.105 0.000 0.946 72 N CB 0.402 38.865 38.487 -0.039 0.000 1.227 72 N HN 0.735 nan 8.380 nan 0.000 0.508 73 I N -0.582 119.722 120.570 -0.443 0.000 3.444 73 I HA 0.092 4.257 4.170 -0.008 0.000 0.287 73 I C -0.009 175.644 176.117 -0.773 0.000 1.302 73 I CA 0.570 61.434 61.300 -0.727 0.000 1.368 73 I CB -0.255 36.936 38.000 -1.348 0.000 1.048 73 I HN 0.101 nan 8.210 nan 0.000 0.487 74 F N 1.300 121.109 119.950 -0.236 0.000 2.678 74 F HA 0.365 4.888 4.527 -0.007 0.000 0.291 74 F C 0.971 176.708 175.800 -0.105 0.000 1.123 74 F CA 0.014 57.897 58.000 -0.196 0.000 1.395 74 F CB 0.103 38.965 39.000 -0.229 0.000 1.121 74 F HN -0.153 nan 8.300 nan 0.000 0.592 75 K N 1.521 121.954 120.400 0.054 0.000 2.244 75 K HA 0.210 4.525 4.320 -0.008 0.000 0.260 75 K C -0.324 176.281 176.600 0.009 0.000 0.951 75 K CA -0.339 55.969 56.287 0.036 0.000 0.826 75 K CB 1.716 34.234 32.500 0.030 0.000 1.108 75 K HN -0.040 nan 8.250 nan 0.000 0.433 76 D N 2.071 122.482 120.400 0.018 0.000 3.740 76 D HA -0.290 4.346 4.640 -0.008 0.000 0.147 76 D C 1.067 177.376 176.300 0.015 0.000 0.885 76 D CA 1.635 55.645 54.000 0.016 0.000 1.051 76 D CB -0.192 40.613 40.800 0.009 0.000 0.480 76 D HN 0.632 nan 8.370 nan 0.000 0.469 77 E N 0.602 120.807 120.200 0.009 0.000 2.204 77 E HA 0.059 4.404 4.350 -0.008 0.000 0.194 77 E C 2.087 178.676 176.600 -0.019 0.000 0.989 77 E CA 1.266 57.676 56.400 0.016 0.000 0.824 77 E CB -0.514 29.196 29.700 0.017 0.000 0.756 77 E HN 0.517 nan 8.360 nan 0.000 0.477 78 G N 0.792 109.563 108.800 -0.048 0.000 2.418 78 G HA2 -0.324 3.631 3.960 -0.008 0.000 0.217 78 G HA3 -0.324 3.631 3.960 -0.008 0.000 0.217 78 G C 1.559 176.425 174.900 -0.057 0.000 1.158 78 G CA 0.721 45.772 45.100 -0.082 0.000 0.771 78 G HN 0.164 nan 8.290 nan 0.000 0.545 79 R N 0.573 121.052 120.500 -0.035 0.000 2.092 79 R HA -0.023 4.313 4.340 -0.008 0.000 0.231 79 R C 2.361 178.678 176.300 0.028 0.000 1.119 79 R CA 1.617 57.714 56.100 -0.005 0.000 0.970 79 R CB -0.344 29.958 30.300 0.004 0.000 0.864 79 R HN 0.514 nan 8.270 nan 0.000 0.440 80 E N -0.015 120.202 120.200 0.029 0.000 2.051 80 E HA -0.201 4.145 4.350 -0.008 0.000 0.192 80 E C 1.733 178.373 176.600 0.066 0.000 0.991 80 E CA 1.371 57.800 56.400 0.048 0.000 0.799 80 E CB -0.124 29.633 29.700 0.096 0.000 0.748 80 E HN 0.469 nan 8.360 nan 0.000 0.449 81 A N 0.387 123.253 122.820 0.077 0.000 1.930 81 A HA -0.140 4.176 4.320 -0.008 0.000 0.217 81 A C 1.965 179.553 177.584 0.007 0.000 1.175 81 A CA 1.157 53.230 52.037 0.059 0.000 0.627 81 A CB -0.779 18.067 19.000 -0.256 0.000 0.815 81 A HN 0.524 nan 8.150 nan 0.000 0.443 82 F N 0.692 120.542 119.950 -0.168 0.000 2.113 82 F HA -0.092 4.431 4.527 -0.006 0.000 0.297 82 F C 1.806 177.448 175.800 -0.263 0.000 1.103 82 F CA 1.662 59.528 58.000 -0.224 0.000 1.248 82 F CB -0.365 38.467 39.000 -0.280 0.000 0.999 82 F HN 0.122 nan 8.300 nan 0.000 0.475 83 L N 0.097 121.035 121.223 -0.474 0.000 2.201 83 L HA -0.169 4.166 4.340 -0.008 0.000 0.212 83 L C 2.408 178.938 176.870 -0.565 0.000 1.105 83 L CA 1.241 55.614 54.840 -0.778 0.000 0.775 83 L CB -0.704 40.753 42.059 -1.004 0.000 0.913 83 L HN 0.111 nan 8.230 nan 0.000 0.440 84 K N 0.781 121.019 120.400 -0.270 0.000 2.026 84 K HA -0.141 4.175 4.320 -0.008 0.000 0.208 84 K C 0.979 177.501 176.600 -0.130 0.000 1.048 84 K CA 0.950 57.184 56.287 -0.089 0.000 0.929 84 K CB -0.544 31.985 32.500 0.049 0.000 0.713 84 K HN -0.028 nan 8.250 nan 0.000 0.439 88 T N -0.883 113.636 114.554 -0.060 0.000 3.084 88 T HA 0.214 4.560 4.350 -0.008 0.000 0.270 88 T C 0.493 175.162 174.700 -0.053 0.000 1.008 88 T CA -0.157 61.915 62.100 -0.048 0.000 0.900 88 T CB 0.471 69.311 68.868 -0.046 0.000 1.084 88 T HN -0.175 nan 8.240 nan 0.000 0.538 89 T N 2.697 117.211 114.554 -0.067 0.000 2.806 89 T HA 0.253 4.598 4.350 -0.008 0.000 0.290 89 T C 0.406 175.088 174.700 -0.029 0.000 0.966 89 T CA -0.555 61.510 62.100 -0.057 0.000 1.060 89 T CB 1.436 70.252 68.868 -0.085 0.000 0.927 89 T HN 0.135 nan 8.240 nan 0.000 0.485 90 D N 1.909 122.292 120.400 -0.028 0.000 2.162 90 D HA 0.127 4.763 4.640 -0.008 0.000 0.205 90 D C 0.507 176.803 176.300 -0.007 0.000 0.964 90 D CA 0.990 54.983 54.000 -0.013 0.000 0.847 90 D CB 0.572 41.359 40.800 -0.020 0.000 0.988 90 D HN 0.427 nan 8.370 nan 0.000 0.480 91 I N 0.379 120.918 120.570 -0.051 0.000 2.499 91 I HA 0.224 4.389 4.170 -0.008 0.000 0.288 91 I C -1.299 174.817 176.117 -0.001 0.000 1.048 91 I CA -0.942 60.316 61.300 -0.071 0.000 1.062 91 I CB 2.609 40.458 38.000 -0.251 0.000 1.238 91 I HN -0.246 nan 8.210 nan 0.000 0.426 92 F N 7.978 127.852 119.950 -0.127 0.000 2.449 92 F HA 0.660 5.183 4.527 -0.007 0.000 0.342 92 F C -0.965 174.759 175.800 -0.127 0.000 1.127 92 F CA -0.835 57.104 58.000 -0.102 0.000 0.975 92 F CB 0.986 39.932 39.000 -0.089 0.000 1.146 92 F HN 0.180 nan 8.300 nan 0.000 0.444 93 I N 5.570 125.761 120.570 -0.633 0.000 2.378 93 I HA 0.372 4.538 4.170 -0.008 0.000 0.291 93 I C -1.230 174.376 176.117 -0.851 0.000 0.992 93 I CA -0.616 60.333 61.300 -0.584 0.000 1.154 93 I CB 1.797 39.655 38.000 -0.237 0.000 1.315 93 I HN 0.613 nan 8.210 nan 0.000 0.448 94 E N 5.799 125.534 120.200 -0.776 0.000 2.272 94 E HA 0.794 5.140 4.350 -0.008 0.000 0.269 94 E C -1.420 175.059 176.600 -0.202 0.000 0.877 94 E CA -0.951 55.127 56.400 -0.536 0.000 0.755 94 E CB 2.002 31.165 29.700 -0.896 0.000 1.192 94 E HN 0.553 nan 8.360 nan 0.000 0.422 95 A N 2.425 125.226 122.820 -0.031 0.000 2.267 95 A HA 0.719 5.035 4.320 -0.008 0.000 0.315 95 A C -0.520 177.135 177.584 0.118 0.000 1.297 95 A CA -0.503 51.548 52.037 0.025 0.000 0.865 95 A CB 0.892 19.890 19.000 -0.004 0.000 1.165 95 A HN 0.485 nan 8.150 nan 0.000 0.513 96 S N 0.578 116.360 115.700 0.137 0.000 2.671 96 S HA 0.406 4.871 4.470 -0.008 0.000 0.277 96 S C -0.683 173.988 174.600 0.118 0.000 1.165 96 S CA -0.746 57.562 58.200 0.180 0.000 0.822 96 S CB 1.249 64.659 63.200 0.350 0.000 1.150 96 S HN 0.627 nan 8.310 nan 0.000 0.479 97 K N 2.174 122.634 120.400 0.099 0.000 2.095 97 K HA 0.370 4.685 4.320 -0.008 0.000 0.258 97 K C 1.028 177.686 176.600 0.096 0.000 1.120 97 K CA 0.481 56.819 56.287 0.085 0.000 1.026 97 K CB -0.544 31.987 32.500 0.053 0.000 1.256 97 K HN 0.836 nan 8.250 nan 0.000 0.360 98 G N 4.604 113.472 108.800 0.112 0.000 2.594 98 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.297 98 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.297 98 G C -1.984 172.964 174.900 0.080 0.000 1.273 98 G CA -0.448 44.712 45.100 0.101 0.000 0.974 98 G HN 0.515 nan 8.290 nan 0.000 0.552 99 P HA 0.389 nan 4.420 nan 0.000 0.237 99 P C 0.871 178.226 177.300 0.091 0.000 1.723 99 P CA 0.984 64.106 63.100 0.037 0.000 0.882 99 P CB 0.072 31.790 31.700 0.030 0.000 1.810 100 A N -0.327 122.574 122.820 0.134 0.000 1.969 100 A HA -0.150 4.165 4.320 -0.008 0.000 0.218 100 A C 1.711 179.364 177.584 0.114 0.000 1.169 100 A CA 1.027 53.117 52.037 0.089 0.000 0.635 100 A CB -1.337 17.701 19.000 0.064 0.000 0.810 100 A HN 0.129 nan 8.150 nan 0.000 0.445 101 F N 0.304 120.309 119.950 0.092 0.000 2.102 101 F HA -0.125 4.397 4.527 -0.008 0.000 0.298 101 F C 2.785 178.670 175.800 0.142 0.000 1.105 101 F CA 0.991 59.119 58.000 0.214 0.000 1.239 101 F CB -0.660 38.547 39.000 0.345 0.000 0.991 101 F HN 0.265 nan 8.300 nan 0.000 0.474 102 A N 0.075 123.048 122.820 0.255 0.000 1.877 102 A HA -0.205 4.110 4.320 -0.008 0.000 0.216 102 A C 2.336 179.972 177.584 0.085 0.000 1.186 102 A CA 1.664 53.788 52.037 0.144 0.000 0.620 102 A CB -0.696 18.358 19.000 0.089 0.000 0.822 102 A HN 0.313 nan 8.150 nan 0.000 0.443 103 R N -0.781 119.750 120.500 0.051 0.000 2.127 103 R HA -0.085 4.250 4.340 -0.008 0.000 0.238 103 R C 1.947 178.230 176.300 -0.028 0.000 1.134 103 R CA 1.505 57.608 56.100 0.006 0.000 0.975 103 R CB -0.234 30.057 30.300 -0.015 0.000 0.865 103 R HN 0.458 nan 8.270 nan 0.000 0.447 104 R N -0.677 119.783 120.500 -0.067 0.000 2.310 104 R HA 0.065 4.400 4.340 -0.008 0.000 0.202 104 R C 0.938 177.247 176.300 0.016 0.000 0.933 104 R CA 0.533 56.562 56.100 -0.118 0.000 1.054 104 R CB 0.633 30.688 30.300 -0.408 0.000 0.985 104 R HN 0.433 nan 8.270 nan 0.000 0.489 105 G N 0.853 109.691 108.800 0.063 0.000 2.179 105 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.220 105 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.220 105 G C 0.222 175.207 174.900 0.141 0.000 0.990 105 G CA -0.468 44.688 45.100 0.093 0.000 0.646 105 G HN 0.250 nan 8.290 nan 0.000 0.517 106 I N 3.524 124.215 120.570 0.202 0.000 2.417 106 I HA 0.257 4.422 4.170 -0.008 0.000 0.283 106 I C 1.271 177.559 176.117 0.285 0.000 1.121 106 I CA 0.003 61.462 61.300 0.265 0.000 1.211 106 I CB 0.215 38.435 38.000 0.368 0.000 1.492 106 I HN 0.283 nan 8.210 nan 0.000 0.522 107 T N -1.422 113.239 114.554 0.178 0.000 2.766 107 T HA 0.096 4.441 4.350 -0.008 0.000 0.295 107 T C 0.993 175.723 174.700 0.049 0.000 1.024 107 T CA -0.531 61.644 62.100 0.125 0.000 1.018 107 T CB 1.332 70.257 68.868 0.095 0.000 1.002 107 T HN 0.301 nan 8.240 nan 0.000 0.532 108 D N 0.614 120.975 120.400 -0.065 0.000 2.149 108 D HA -0.087 4.548 4.640 -0.008 0.000 0.198 108 D C 1.996 178.053 176.300 -0.405 0.000 0.990 108 D CA 1.313 55.041 54.000 -0.454 0.000 0.839 108 D CB -0.262 40.123 40.800 -0.691 0.000 0.948 108 D HN 0.690 nan 8.370 nan 0.000 0.460 109 E N 0.311 120.513 120.200 0.005 0.000 2.058 109 E HA -0.126 4.220 4.350 -0.008 0.000 0.194 109 E C 2.341 179.045 176.600 0.173 0.000 0.997 109 E CA 0.409 56.942 56.400 0.222 0.000 0.801 109 E CB -0.449 29.370 29.700 0.198 0.000 0.746 109 E HN 0.093 nan 8.360 nan 0.000 0.450 110 V N 0.730 120.715 119.914 0.118 0.000 2.287 110 V HA -0.273 3.842 4.120 -0.008 0.000 0.248 110 V C 2.276 178.470 176.094 0.166 0.000 1.053 110 V CA 1.683 64.073 62.300 0.151 0.000 1.027 110 V CB -0.525 31.387 31.823 0.147 0.000 0.646 110 V HN 0.242 nan 8.190 nan 0.000 0.447 111 L N -1.571 119.672 121.223 0.034 0.000 2.042 111 L HA -0.204 4.131 4.340 -0.008 0.000 0.210 111 L C 2.518 179.425 176.870 0.062 0.000 1.076 111 L CA 1.749 56.558 54.840 -0.051 0.000 0.749 111 L CB -0.570 41.353 42.059 -0.226 0.000 0.893 111 L HN 0.421 nan 8.230 nan 0.000 0.432 112 W N 0.376 121.727 121.300 0.085 0.000 2.519 112 W HA -0.083 4.572 4.660 -0.009 0.000 0.266 112 W C 2.539 179.076 176.519 0.030 0.000 1.253 112 W CA 0.529 57.905 57.345 0.052 0.000 1.274 112 W CB -0.676 28.814 29.460 0.051 0.000 1.114 112 W HN 0.360 nan 8.180 nan 0.000 0.596 113 Q N -0.982 118.960 119.800 0.237 0.000 2.124 113 Q HA -0.201 4.135 4.340 -0.008 0.000 0.202 113 Q C 1.673 177.635 176.000 -0.064 0.000 0.977 113 Q CA 1.636 57.480 55.803 0.068 0.000 0.850 113 Q CB -0.311 28.441 28.738 0.024 0.000 0.901 113 Q HN 0.404 nan 8.270 nan 0.000 0.429 114 H N -1.059 118.033 119.070 0.036 0.000 2.465 114 H HA 0.101 4.652 4.556 -0.008 0.000 0.289 114 H C 0.184 175.509 175.328 -0.004 0.000 1.022 114 H CA 0.609 56.650 56.048 -0.012 0.000 1.340 114 H CB 0.462 30.178 29.762 -0.075 0.000 1.437 114 H HN -0.006 nan 8.280 nan 0.000 0.539 115 N N -0.221 118.568 118.700 0.149 0.000 2.621 115 N HA 0.069 4.804 4.740 -0.008 0.000 0.271 115 N C -2.439 173.204 175.510 0.222 0.000 1.181 115 N CA -1.866 51.258 53.050 0.123 0.000 0.805 115 N CB 1.375 39.906 38.487 0.073 0.000 1.351 115 N HN -0.104 nan 8.380 nan 0.000 0.539 116 P HA -0.064 nan 4.420 nan 0.000 0.228 116 P C 0.222 177.533 177.300 0.018 0.000 1.151 116 P CA 0.977 64.130 63.100 0.088 0.000 0.770 116 P CB 0.445 32.140 31.700 -0.010 0.000 0.786 117 K N -0.924 119.523 120.400 0.079 0.000 2.374 117 K HA 0.111 4.426 4.320 -0.008 0.000 0.196 117 K C 0.727 177.414 176.600 0.144 0.000 1.023 117 K CA -0.577 55.743 56.287 0.056 0.000 1.103 117 K CB -0.086 32.428 32.500 0.023 0.000 0.848 117 K HN 0.083 nan 8.250 nan 0.000 0.528 118 L N 2.377 123.755 121.223 0.257 0.000 2.601 118 L HA -0.054 4.282 4.340 -0.008 0.000 0.277 118 L C -0.334 176.726 176.870 0.317 0.000 1.219 118 L CA 0.509 55.496 54.840 0.247 0.000 0.915 118 L CB 0.512 42.693 42.059 0.204 0.000 1.160 118 L HN -0.206 nan 8.230 nan 0.000 0.494 119 V N 7.655 127.679 119.914 0.183 0.000 2.385 119 V HA 0.299 4.414 4.120 -0.008 0.000 0.269 119 V C 0.347 176.501 176.094 0.099 0.000 1.043 119 V CA -0.232 62.166 62.300 0.163 0.000 0.906 119 V CB 0.841 32.728 31.823 0.108 0.000 0.995 119 V HN 0.553 nan 8.190 nan 0.000 0.467 120 I N 4.600 125.213 120.570 0.071 0.000 2.362 120 I HA 0.667 4.832 4.170 -0.008 0.000 0.289 120 I C 0.301 176.291 176.117 -0.213 0.000 0.994 120 I CA -0.395 60.842 61.300 -0.105 0.000 1.158 120 I CB 1.695 39.565 38.000 -0.216 0.000 1.315 120 I HN 0.614 nan 8.210 nan 0.000 0.451 121 A N 6.123 128.758 122.820 -0.309 0.000 2.267 121 A HA 0.533 4.849 4.320 -0.008 0.000 0.315 121 A C -0.735 176.623 177.584 -0.377 0.000 1.297 121 A CA -0.539 51.352 52.037 -0.243 0.000 0.865 121 A CB 0.160 19.089 19.000 -0.119 0.000 1.165 121 A HN 0.668 nan 8.150 nan 0.000 0.513 122 H N 2.907 121.920 119.070 -0.094 0.000 2.640 122 H HA 0.308 4.860 4.556 -0.007 0.000 0.297 122 H C -0.977 174.315 175.328 -0.061 0.000 1.073 122 H CA -0.065 55.921 56.048 -0.104 0.000 1.305 122 H CB 1.423 31.158 29.762 -0.045 0.000 1.404 122 H HN 0.567 nan 8.280 nan 0.000 0.459 123 L N 3.603 124.842 121.223 0.026 0.000 2.287 123 L HA 0.294 4.630 4.340 -0.008 0.000 0.287 123 L C -0.135 176.749 176.870 0.024 0.000 1.022 123 L CA -0.278 54.566 54.840 0.008 0.000 0.814 123 L CB 0.721 42.759 42.059 -0.036 0.000 1.217 123 L HN 0.641 nan 8.230 nan 0.000 0.420 124 S N 1.581 117.295 115.700 0.025 0.000 2.651 124 S HA 0.517 4.983 4.470 -0.008 0.000 0.279 124 S C 0.600 175.200 174.600 -0.000 0.000 1.148 124 S CA -0.192 58.031 58.200 0.039 0.000 0.837 124 S CB 1.419 64.671 63.200 0.087 0.000 1.138 124 S HN 0.608 nan 8.310 nan 0.000 0.478 125 G N -0.083 108.720 108.800 0.006 0.000 2.402 125 G HA2 0.080 4.035 3.960 -0.008 0.000 0.216 125 G HA3 0.080 4.035 3.960 -0.008 0.000 0.216 125 G C 0.400 175.083 174.900 -0.362 0.000 1.162 125 G CA 0.592 45.574 45.100 -0.198 0.000 0.777 125 G HN 0.617 nan 8.290 nan 0.000 0.539 126 F N 0.055 120.074 119.950 0.116 0.000 2.798 126 F HA 0.469 4.992 4.527 -0.008 0.000 0.328 126 F C 1.093 176.994 175.800 0.169 0.000 1.098 126 F CA 0.136 58.254 58.000 0.197 0.000 1.172 126 F CB 1.213 40.227 39.000 0.022 0.000 1.072 126 F HN 0.417 nan 8.300 nan 0.000 0.555 127 G N 0.497 109.417 108.800 0.201 0.000 2.555 127 G HA2 -0.126 3.830 3.960 -0.008 0.000 0.686 127 G HA3 -0.126 3.830 3.960 -0.008 0.000 0.686 127 G C -0.035 174.912 174.900 0.079 0.000 1.275 127 G CA -0.735 44.415 45.100 0.083 0.000 0.871 127 G HN -0.108 nan 8.290 nan 0.000 0.603 128 Q N -1.009 118.837 119.800 0.077 0.000 2.378 128 Q HA 0.132 4.467 4.340 -0.008 0.000 0.205 128 Q C 0.749 176.867 176.000 0.197 0.000 0.954 128 Q CA 1.915 57.779 55.803 0.102 0.000 0.901 128 Q CB 0.081 28.867 28.738 0.080 0.000 0.981 128 Q HN 0.896 nan 8.270 nan 0.000 0.483 129 Y N -3.677 116.672 120.300 0.081 0.000 2.625 129 Y HA 0.689 5.234 4.550 -0.008 0.000 0.338 129 Y C 0.193 176.163 175.900 0.117 0.000 1.123 129 Y CA -0.548 57.602 58.100 0.084 0.000 1.046 129 Y CB 0.879 39.381 38.460 0.070 0.000 1.299 129 Y HN -0.025 nan 8.280 nan 0.000 0.464 130 G N 0.330 109.214 108.800 0.140 0.000 2.451 130 G HA2 0.228 4.184 3.960 -0.008 0.000 0.083 130 G HA3 0.228 4.184 3.960 -0.008 0.000 0.083 130 G C -1.184 173.796 174.900 0.134 0.000 1.107 130 G CA -0.270 44.870 45.100 0.065 0.000 1.117 130 G HN 0.754 nan 8.290 nan 0.000 0.454 131 T N 1.386 116.012 114.554 0.120 0.000 2.913 131 T HA 0.443 4.788 4.350 -0.008 0.000 0.287 131 T C 1.189 175.941 174.700 0.087 0.000 1.008 131 T CA -0.200 61.977 62.100 0.129 0.000 1.067 131 T CB 1.584 70.576 68.868 0.206 0.000 0.996 131 T HN 0.400 nan 8.240 nan 0.000 0.513 132 E N 1.457 121.687 120.200 0.051 0.000 2.153 132 E HA -0.147 4.199 4.350 -0.008 0.000 0.194 132 E C 1.917 178.482 176.600 -0.058 0.000 0.988 132 E CA 0.973 57.376 56.400 0.005 0.000 0.811 132 E CB 0.053 29.753 29.700 0.000 0.000 0.746 132 E HN 0.767 nan 8.360 nan 0.000 0.466 133 E N -0.406 119.738 120.200 -0.093 0.000 2.047 133 E HA -0.174 4.171 4.350 -0.008 0.000 0.191 133 E C 1.436 177.765 176.600 -0.452 0.000 0.987 133 E CA 0.997 57.225 56.400 -0.288 0.000 0.799 133 E CB 0.045 29.511 29.700 -0.390 0.000 0.752 133 E HN 0.283 nan 8.360 nan 0.000 0.449 134 Y N -0.499 119.636 120.300 -0.274 0.000 2.479 134 Y HA 0.070 4.615 4.550 -0.008 0.000 0.283 134 Y C 2.521 178.164 175.900 -0.428 0.000 1.109 134 Y CA 0.984 58.749 58.100 -0.558 0.000 1.239 134 Y CB 0.002 38.114 38.460 -0.579 0.000 1.108 134 Y HN 0.004 nan 8.280 nan 0.000 0.548 135 T N 0.384 114.930 114.554 -0.012 0.000 2.788 135 T HA -0.143 4.202 4.350 -0.008 0.000 0.268 135 T C 1.238 175.974 174.700 0.061 0.000 1.044 135 T CA 1.487 63.626 62.100 0.065 0.000 1.139 135 T CB -0.275 68.639 68.868 0.077 0.000 0.867 135 T HN 0.320 nan 8.240 nan 0.000 0.454 136 N N 1.149 119.849 118.700 -0.001 0.000 2.313 136 N HA 0.200 4.935 4.740 -0.008 0.000 0.207 136 N C -0.006 175.508 175.510 0.007 0.000 1.141 136 N CA 0.043 53.100 53.050 0.011 0.000 0.830 136 N CB 0.123 38.604 38.487 -0.010 0.000 1.008 136 N HN 0.409 nan 8.380 nan 0.000 0.481 137 L N 1.839 123.062 121.223 -0.001 0.000 2.439 137 L HA 0.309 4.645 4.340 -0.008 0.000 0.261 137 L C -1.696 175.284 176.870 0.183 0.000 1.153 137 L CA -1.532 53.329 54.840 0.035 0.000 0.808 137 L CB 0.327 42.294 42.059 -0.153 0.000 1.126 137 L HN -0.098 nan 8.230 nan 0.000 0.460 138 P HA 0.143 nan 4.420 nan 0.000 0.274 138 P C -1.305 176.084 177.300 0.148 0.000 1.256 138 P CA -0.532 62.648 63.100 0.133 0.000 0.795 138 P CB 0.814 32.604 31.700 0.150 0.000 1.038 139 A N 1.418 124.201 122.820 -0.062 0.000 2.260 139 A HA 0.561 4.877 4.320 -0.008 0.000 0.308 139 A C -1.213 176.191 177.584 -0.299 0.000 1.254 139 A CA -0.323 51.652 52.037 -0.104 0.000 0.874 139 A CB -0.260 18.672 19.000 -0.114 0.000 1.153 139 A HN 0.463 nan 8.150 nan 0.000 0.527 140 Y N 1.416 121.726 120.300 0.017 0.000 2.442 140 Y HA 0.233 4.779 4.550 -0.007 0.000 0.344 140 Y C 1.242 177.160 175.900 0.030 0.000 0.976 140 Y CA -0.587 57.533 58.100 0.034 0.000 1.040 140 Y CB 2.096 40.594 38.460 0.063 0.000 1.228 140 Y HN 0.882 nan 8.280 nan 0.000 0.451 141 N N 0.546 119.365 118.700 0.199 0.000 2.037 141 N HA -0.260 4.475 4.740 -0.008 0.000 0.196 141 N C 1.673 177.277 175.510 0.156 0.000 1.034 141 N CA 2.851 55.993 53.050 0.153 0.000 0.861 141 N CB -0.113 38.503 38.487 0.214 0.000 1.039 141 N HN 0.805 nan 8.380 nan 0.000 0.427 142 T N -1.480 113.184 114.554 0.184 0.000 2.788 142 T HA -0.060 4.285 4.350 -0.008 0.000 0.268 142 T C 2.120 176.910 174.700 0.150 0.000 1.044 142 T CA 1.370 63.555 62.100 0.142 0.000 1.139 142 T CB -0.675 68.257 68.868 0.107 0.000 0.867 142 T HN 0.279 nan 8.240 nan 0.000 0.454 143 I N 1.931 122.604 120.570 0.172 0.000 2.226 143 I HA -0.100 4.065 4.170 -0.008 0.000 0.245 143 I C 3.230 179.440 176.117 0.154 0.000 1.100 143 I CA 1.167 62.576 61.300 0.182 0.000 1.374 143 I CB -0.646 37.491 38.000 0.229 0.000 1.057 143 I HN 0.331 nan 8.210 nan 0.000 0.413 144 A N 0.208 123.076 122.820 0.081 0.000 1.908 144 A HA -0.261 4.054 4.320 -0.008 0.000 0.218 144 A C 2.268 179.942 177.584 0.150 0.000 1.181 144 A CA 1.607 53.677 52.037 0.056 0.000 0.627 144 A CB -0.603 18.396 19.000 -0.001 0.000 0.818 144 A HN 0.477 nan 8.150 nan 0.000 0.445 145 Q N -0.837 119.055 119.800 0.152 0.000 2.079 145 Q HA -0.099 4.236 4.340 -0.008 0.000 0.200 145 Q C 2.481 178.612 176.000 0.218 0.000 0.974 145 Q CA 1.292 57.218 55.803 0.206 0.000 0.840 145 Q CB -0.372 28.498 28.738 0.222 0.000 0.898 145 Q HN 0.688 nan 8.270 nan 0.000 0.430 146 A N 0.388 123.327 122.820 0.199 0.000 1.902 146 A HA -0.185 4.131 4.320 -0.008 0.000 0.217 146 A C 1.760 179.476 177.584 0.220 0.000 1.181 146 A CA 1.167 53.317 52.037 0.188 0.000 0.623 146 A CB -0.630 18.481 19.000 0.186 0.000 0.818 146 A HN 0.421 nan 8.150 nan 0.000 0.443 147 F N 1.023 121.031 119.950 0.096 0.000 2.615 147 F HA 0.011 4.534 4.527 -0.008 0.000 0.297 147 F C 2.247 178.093 175.800 0.077 0.000 1.124 147 F CA 1.353 59.396 58.000 0.072 0.000 1.451 147 F CB 0.187 39.224 39.000 0.062 0.000 1.103 147 F HN 0.273 nan 8.300 nan 0.000 0.569 148 S N -1.351 114.467 115.700 0.196 0.000 2.540 148 S HA 0.344 4.810 4.470 -0.008 0.000 0.218 148 S C 1.671 176.357 174.600 0.144 0.000 0.977 148 S CA 0.278 58.596 58.200 0.195 0.000 0.918 148 S CB 0.063 63.404 63.200 0.236 0.000 0.806 148 S HN 0.587 nan 8.310 nan 0.000 0.496 149 G N 0.505 109.365 108.800 0.101 0.000 2.162 149 G HA2 -0.383 3.572 3.960 -0.008 0.000 0.260 149 G HA3 -0.383 3.572 3.960 -0.008 0.000 0.260 149 G C 0.311 175.277 174.900 0.109 0.000 0.976 149 G CA 0.481 45.619 45.100 0.064 0.000 0.655 149 G HN 0.531 nan 8.290 nan 0.000 0.533 150 Y N 0.074 120.401 120.300 0.045 0.000 2.220 150 Y HA 0.300 4.846 4.550 -0.007 0.000 0.291 150 Y C 2.717 178.645 175.900 0.046 0.000 1.129 150 Y CA 2.034 60.165 58.100 0.050 0.000 1.161 150 Y CB -0.227 38.272 38.460 0.065 0.000 0.997 150 Y HN 0.309 nan 8.280 nan 0.000 0.522 151 L N -0.846 120.481 121.223 0.174 0.000 2.056 151 L HA -0.190 4.145 4.340 -0.008 0.000 0.207 151 L C 2.207 179.081 176.870 0.007 0.000 1.078 151 L CA 1.269 56.167 54.840 0.096 0.000 0.749 151 L CB -0.406 41.720 42.059 0.112 0.000 0.901 151 L HN 0.268 nan 8.230 nan 0.000 0.433 152 I N 0.034 120.601 120.570 -0.004 0.000 2.567 152 I HA -0.309 3.856 4.170 -0.008 0.000 0.257 152 I C 2.396 178.465 176.117 -0.080 0.000 1.184 152 I CA 1.525 62.801 61.300 -0.041 0.000 1.451 152 I CB -0.203 37.769 38.000 -0.048 0.000 1.089 152 I HN 0.499 nan 8.210 nan 0.000 0.441 153 Q N -0.963 118.772 119.800 -0.108 0.000 2.356 153 Q HA 0.118 4.453 4.340 -0.008 0.000 0.205 153 Q C 0.323 176.227 176.000 -0.161 0.000 0.901 153 Q CA 0.038 55.757 55.803 -0.140 0.000 0.938 153 Q CB -0.216 28.441 28.738 -0.135 0.000 1.081 153 Q HN 0.457 nan 8.270 nan 0.000 0.517 154 N N 0.732 119.340 118.700 -0.153 0.000 2.495 154 N HA 0.457 5.192 4.740 -0.008 0.000 0.280 154 N C 0.185 175.647 175.510 -0.081 0.000 1.168 154 N CA 0.911 53.889 53.050 -0.120 0.000 0.978 154 N CB 1.558 39.989 38.487 -0.093 0.000 1.191 154 N HN 0.353 nan 8.380 nan 0.000 0.497 155 G N 0.845 109.601 108.800 -0.074 0.000 2.472 155 G HA2 -0.193 3.763 3.960 -0.008 0.000 0.205 155 G HA3 -0.193 3.763 3.960 -0.008 0.000 0.205 155 G C -1.180 173.670 174.900 -0.083 0.000 1.270 155 G CA -0.599 44.459 45.100 -0.070 0.000 0.974 155 G HN 0.557 nan 8.290 nan 0.000 0.542 156 D N -0.956 119.397 120.400 -0.078 0.000 2.326 156 D HA 0.559 5.195 4.640 -0.008 0.000 0.251 156 D C 2.128 178.377 176.300 -0.084 0.000 1.023 156 D CA 0.087 54.037 54.000 -0.082 0.000 0.966 156 D CB 1.739 42.496 40.800 -0.072 0.000 1.156 156 D HN 0.410 nan 8.370 nan 0.000 0.494 157 V N 1.154 121.015 119.914 -0.089 0.000 2.277 157 V HA -0.250 3.865 4.120 -0.008 0.000 0.253 157 V C 1.036 177.084 176.094 -0.076 0.000 1.067 157 V CA 1.976 64.221 62.300 -0.091 0.000 1.047 157 V CB -0.287 31.485 31.823 -0.086 0.000 0.649 157 V HN 0.564 nan 8.190 nan 0.000 0.447 158 D N -1.075 119.288 120.400 -0.063 0.000 2.462 158 D HA 0.264 4.899 4.640 -0.008 0.000 0.221 158 D C 0.416 176.688 176.300 -0.047 0.000 1.173 158 D CA 0.135 54.104 54.000 -0.052 0.000 0.831 158 D CB 0.868 41.642 40.800 -0.044 0.000 1.001 158 D HN 0.432 nan 8.370 nan 0.000 0.499 159 Q N 1.206 120.975 119.800 -0.052 0.000 2.878 159 Q HA 0.294 4.630 4.340 -0.008 0.000 0.232 159 Q C -2.834 173.136 176.000 -0.050 0.000 0.893 159 Q CA -1.553 54.222 55.803 -0.047 0.000 0.742 159 Q CB 2.051 30.761 28.738 -0.046 0.000 1.354 159 Q HN -0.154 nan 8.270 nan 0.000 0.466 163 A N 1.037 123.986 122.820 0.214 0.000 2.445 163 A HA 0.587 4.902 4.320 -0.008 0.000 0.242 163 A C -0.706 177.005 177.584 0.212 0.000 1.075 163 A CA 0.116 52.292 52.037 0.232 0.000 0.777 163 A CB 0.050 19.270 19.000 0.367 0.000 1.013 163 A HN 0.531 nan 8.150 nan 0.000 0.493 164 F N 2.691 122.638 119.950 -0.005 0.000 2.578 164 F HA 0.699 5.221 4.527 -0.007 0.000 0.311 164 F C -2.397 173.359 175.800 -0.073 0.000 1.094 164 F CA -1.870 56.080 58.000 -0.082 0.000 0.923 164 F CB 2.249 41.187 39.000 -0.104 0.000 1.230 164 F HN 0.478 nan 8.300 nan 0.000 0.450 165 P HA 0.368 nan 4.420 nan 0.000 0.298 165 P C -1.453 175.606 177.300 -0.402 0.000 1.314 165 P CA -0.252 62.124 63.100 -1.207 0.000 0.854 165 P CB 0.877 31.775 31.700 -1.337 0.000 1.019 166 Y N -0.346 119.802 120.300 -0.255 0.000 3.396 166 Y HA -0.276 4.269 4.550 -0.007 0.000 0.214 166 Y C 1.751 177.623 175.900 -0.047 0.000 1.203 166 Y CA 1.168 59.186 58.100 -0.137 0.000 1.401 166 Y CB -3.064 35.261 38.460 -0.226 0.000 1.409 166 Y HN 0.341 nan 8.280 nan 0.000 0.594 167 T N -1.168 113.434 114.554 0.079 0.000 2.699 167 T HA -0.285 4.061 4.350 -0.008 0.000 0.268 167 T C 2.091 176.848 174.700 0.095 0.000 1.036 167 T CA 1.704 63.859 62.100 0.091 0.000 1.147 167 T CB -0.266 68.672 68.868 0.117 0.000 0.862 167 T HN 0.710 nan 8.240 nan 0.000 0.446 168 A N 1.768 124.633 122.820 0.075 0.000 1.969 168 A HA -0.129 4.187 4.320 -0.008 0.000 0.218 168 A C 2.102 179.684 177.584 -0.005 0.000 1.169 168 A CA 1.539 53.607 52.037 0.052 0.000 0.635 168 A CB -0.501 18.509 19.000 0.017 0.000 0.810 168 A HN 0.361 nan 8.150 nan 0.000 0.445 169 D N -1.071 119.266 120.400 -0.105 0.000 2.117 169 D HA -0.156 4.480 4.640 -0.008 0.000 0.197 169 D C 1.614 177.678 176.300 -0.394 0.000 0.987 169 D CA 1.440 55.270 54.000 -0.283 0.000 0.829 169 D CB -0.361 40.169 40.800 -0.451 0.000 0.961 169 D HN 0.617 nan 8.370 nan 0.000 0.460 170 Y N -0.166 119.961 120.300 -0.288 0.000 2.220 170 Y HA -0.029 4.516 4.550 -0.008 0.000 0.291 170 Y C 2.369 178.142 175.900 -0.211 0.000 1.129 170 Y CA 0.521 58.305 58.100 -0.527 0.000 1.161 170 Y CB -0.774 37.255 38.460 -0.717 0.000 0.997 170 Y HN -0.061 nan 8.280 nan 0.000 0.522 171 F N -0.341 119.618 119.950 0.015 0.000 2.126 171 F HA -0.290 4.232 4.527 -0.008 0.000 0.299 171 F C 2.491 178.295 175.800 0.006 0.000 1.096 171 F CA 1.503 59.507 58.000 0.006 0.000 1.255 171 F CB -0.320 38.638 39.000 -0.069 0.000 0.997 171 F HN -0.073 nan 8.300 nan 0.000 0.479 172 S N -0.297 115.502 115.700 0.164 0.000 2.368 172 S HA -0.106 4.360 4.470 -0.008 0.000 0.224 172 S C 2.315 176.960 174.600 0.076 0.000 1.029 172 S CA 1.058 59.300 58.200 0.071 0.000 0.988 172 S CB -0.942 62.258 63.200 -0.001 0.000 0.838 172 S HN 0.517 nan 8.310 nan 0.000 0.462 173 G N 1.796 110.656 108.800 0.100 0.000 2.421 173 G HA2 -0.155 3.800 3.960 -0.008 0.000 0.216 173 G HA3 -0.155 3.800 3.960 -0.008 0.000 0.216 173 G C 1.378 176.390 174.900 0.186 0.000 1.171 173 G CA 0.738 45.939 45.100 0.169 0.000 0.775 173 G HN 0.385 nan 8.290 nan 0.000 0.543 174 L N 1.103 122.509 121.223 0.305 0.000 2.042 174 L HA -0.031 4.304 4.340 -0.008 0.000 0.210 174 L C 2.963 179.895 176.870 0.104 0.000 1.076 174 L CA 2.452 57.409 54.840 0.194 0.000 0.749 174 L CB -1.023 41.207 42.059 0.286 0.000 0.893 174 L HN 0.200 nan 8.230 nan 0.000 0.432 175 T N -0.242 114.390 114.554 0.130 0.000 2.684 175 T HA -0.207 4.138 4.350 -0.008 0.000 0.267 175 T C 1.909 176.645 174.700 0.060 0.000 1.036 175 T CA 1.441 63.595 62.100 0.090 0.000 1.148 175 T CB -0.545 68.370 68.868 0.077 0.000 0.863 175 T HN 0.532 nan 8.240 nan 0.000 0.436 176 A N 1.319 124.169 122.820 0.050 0.000 1.908 176 A HA -0.161 4.155 4.320 -0.008 0.000 0.218 176 A C 2.567 180.193 177.584 0.071 0.000 1.181 176 A CA 2.244 54.307 52.037 0.043 0.000 0.627 176 A CB -1.334 17.675 19.000 0.016 0.000 0.818 176 A HN 0.494 nan 8.150 nan 0.000 0.445 177 T N 0.015 114.583 114.554 0.022 0.000 2.684 177 T HA -0.143 4.202 4.350 -0.008 0.000 0.267 177 T C 2.030 176.715 174.700 -0.025 0.000 1.036 177 T CA 2.050 64.107 62.100 -0.072 0.000 1.148 177 T CB -0.700 67.935 68.868 -0.390 0.000 0.863 177 T HN 0.605 nan 8.240 nan 0.000 0.436 178 T N 2.144 116.700 114.554 0.004 0.000 2.708 178 T HA -0.043 4.303 4.350 -0.008 0.000 0.266 178 T C 2.424 177.170 174.700 0.077 0.000 1.037 178 T CA 1.241 63.369 62.100 0.048 0.000 1.146 178 T CB -0.624 68.282 68.868 0.063 0.000 0.865 178 T HN 0.439 nan 8.240 nan 0.000 0.435 179 A N 1.383 124.251 122.820 0.079 0.000 1.930 179 A HA 0.239 4.555 4.320 -0.008 0.000 0.217 179 A C 2.642 180.294 177.584 0.114 0.000 1.175 179 A CA 1.696 53.785 52.037 0.087 0.000 0.627 179 A CB -1.046 17.998 19.000 0.074 0.000 0.815 179 A HN 0.511 nan 8.150 nan 0.000 0.443 180 A N -0.224 122.683 122.820 0.145 0.000 1.898 180 A HA -0.005 4.310 4.320 -0.008 0.000 0.216 180 A C 2.135 179.847 177.584 0.212 0.000 1.181 180 A CA 1.429 53.576 52.037 0.184 0.000 0.620 180 A CB -0.562 18.589 19.000 0.252 0.000 0.819 180 A HN 0.462 nan 8.150 nan 0.000 0.442 181 L N -0.791 120.570 121.223 0.229 0.000 2.093 181 L HA -0.163 4.172 4.340 -0.008 0.000 0.208 181 L C 3.074 180.041 176.870 0.162 0.000 1.085 181 L CA 0.930 55.894 54.840 0.206 0.000 0.755 181 L CB -0.519 41.639 42.059 0.165 0.000 0.904 181 L HN 0.430 nan 8.230 nan 0.000 0.435 182 A N 0.164 123.062 122.820 0.131 0.000 1.877 182 A HA -0.189 4.127 4.320 -0.008 0.000 0.216 182 A C 2.541 180.217 177.584 0.154 0.000 1.186 182 A CA 1.820 53.930 52.037 0.122 0.000 0.620 182 A CB -0.772 18.281 19.000 0.090 0.000 0.822 182 A HN 0.387 nan 8.150 nan 0.000 0.443 183 A N -0.616 122.285 122.820 0.136 0.000 1.933 183 A HA -0.029 4.287 4.320 -0.008 0.000 0.218 183 A C 2.125 179.783 177.584 0.123 0.000 1.175 183 A CA 1.680 53.792 52.037 0.125 0.000 0.628 183 A CB -0.638 18.435 19.000 0.122 0.000 0.814 183 A HN 0.707 nan 8.150 nan 0.000 0.444 184 L N -0.670 120.635 121.223 0.138 0.000 2.043 184 L HA -0.227 4.108 4.340 -0.008 0.000 0.212 184 L C 2.328 179.269 176.870 0.117 0.000 1.075 184 L CA 2.890 57.803 54.840 0.122 0.000 0.752 184 L CB -0.809 41.336 42.059 0.144 0.000 0.891 184 L HN 0.631 nan 8.230 nan 0.000 0.432 185 H N -0.494 118.611 119.070 0.059 0.000 2.319 185 H HA -0.226 4.325 4.556 -0.007 0.000 0.299 185 H C 2.227 177.574 175.328 0.032 0.000 1.092 185 H CA 2.289 58.363 56.048 0.043 0.000 1.302 185 H CB 0.005 29.793 29.762 0.044 0.000 1.373 185 H HN 0.247 nan 8.280 nan 0.000 0.497 186 K N -0.077 120.338 120.400 0.025 0.000 2.147 186 K HA -0.065 4.250 4.320 -0.008 0.000 0.205 186 K C 2.106 178.666 176.600 -0.067 0.000 1.049 186 K CA 1.254 57.522 56.287 -0.033 0.000 0.936 186 K CB -0.500 32.024 32.500 0.039 0.000 0.722 186 K HN 0.242 nan 8.250 nan 0.000 0.446 187 V N 0.789 120.682 119.914 -0.034 0.000 2.407 187 V HA -0.224 3.891 4.120 -0.008 0.000 0.248 187 V C 2.481 178.537 176.094 -0.063 0.000 1.055 187 V CA 2.108 64.388 62.300 -0.034 0.000 1.049 187 V CB -0.552 31.272 31.823 0.002 0.000 0.662 187 V HN 0.399 nan 8.190 nan 0.000 0.455 188 R N -0.099 120.345 120.500 -0.093 0.000 2.117 188 R HA -0.247 4.088 4.340 -0.008 0.000 0.243 188 R C 2.371 178.606 176.300 -0.108 0.000 1.143 188 R CA 2.195 58.232 56.100 -0.104 0.000 0.968 188 R CB -0.165 30.049 30.300 -0.144 0.000 0.863 188 R HN 0.726 nan 8.270 nan 0.000 0.444 189 E N -0.826 119.293 120.200 -0.134 0.000 2.030 189 E HA -0.121 4.225 4.350 -0.008 0.000 0.189 189 E C 1.587 178.145 176.600 -0.071 0.000 0.974 189 E CA 1.662 58.001 56.400 -0.101 0.000 0.807 189 E CB 0.053 29.688 29.700 -0.108 0.000 0.771 189 E HN 0.477 nan 8.360 nan 0.000 0.451 190 T N -3.229 111.284 114.554 -0.069 0.000 3.054 190 T HA 0.195 4.540 4.350 -0.008 0.000 0.259 190 T C 1.541 176.203 174.700 -0.063 0.000 1.092 190 T CA 0.769 62.832 62.100 -0.062 0.000 1.121 190 T CB 0.198 69.028 68.868 -0.064 0.000 0.912 190 T HN 0.379 nan 8.240 nan 0.000 0.489 191 G N 1.591 110.355 108.800 -0.060 0.000 2.168 191 G HA2 -0.261 3.695 3.960 -0.008 0.000 0.257 191 G HA3 -0.261 3.695 3.960 -0.008 0.000 0.257 191 G C -0.099 174.758 174.900 -0.071 0.000 0.997 191 G CA 0.457 45.524 45.100 -0.055 0.000 0.708 191 G HN 0.682 nan 8.290 nan 0.000 0.520 192 K N 0.091 120.437 120.400 -0.091 0.000 2.270 192 K HA 0.582 4.897 4.320 -0.008 0.000 0.255 192 K C 0.967 177.487 176.600 -0.133 0.000 0.936 192 K CA -0.324 55.873 56.287 -0.150 0.000 0.809 192 K CB 1.912 34.298 32.500 -0.191 0.000 1.131 192 K HN 0.201 nan 8.250 nan 0.000 0.427 193 G N 1.062 109.752 108.800 -0.183 0.000 2.553 193 G HA2 0.226 4.182 3.960 -0.008 0.000 0.278 193 G HA3 0.226 4.182 3.960 -0.008 0.000 0.278 193 G C -0.665 174.252 174.900 0.029 0.000 1.349 193 G CA 0.276 45.382 45.100 0.009 0.000 1.037 193 G HN 0.538 nan 8.290 nan 0.000 0.508 194 E N -2.100 118.298 120.200 0.330 0.000 2.412 194 E HA 0.546 4.891 4.350 -0.008 0.000 0.279 194 E C -1.288 175.629 176.600 0.528 0.000 0.984 194 E CA -0.652 55.961 56.400 0.354 0.000 0.788 194 E CB 1.960 31.771 29.700 0.186 0.000 1.277 194 E HN 0.473 nan 8.360 nan 0.000 0.455 195 S N 2.722 118.707 115.700 0.475 0.000 2.502 195 S HA 0.712 5.177 4.470 -0.008 0.000 0.304 195 S C -1.104 173.639 174.600 0.239 0.000 1.097 195 S CA -0.634 57.757 58.200 0.318 0.000 1.045 195 S CB 0.239 63.640 63.200 0.334 0.000 1.019 195 S HN 0.433 nan 8.310 nan 0.000 0.481 196 I N 3.574 124.246 120.570 0.170 0.000 2.406 196 I HA 0.355 4.520 4.170 -0.008 0.000 0.290 196 I C -0.851 175.368 176.117 0.170 0.000 0.999 196 I CA -0.719 60.667 61.300 0.144 0.000 1.124 196 I CB 1.874 39.929 38.000 0.091 0.000 1.289 196 I HN 0.507 nan 8.210 nan 0.000 0.441 197 D N 7.849 128.348 120.400 0.166 0.000 2.485 197 D HA 0.388 5.023 4.640 -0.008 0.000 0.221 197 D C -0.694 175.656 176.300 0.084 0.000 1.112 197 D CA -0.297 53.797 54.000 0.157 0.000 0.911 197 D CB 0.509 41.421 40.800 0.186 0.000 1.019 197 D HN 0.268 nan 8.370 nan 0.000 0.516 198 I N 3.162 123.770 120.570 0.063 0.000 2.291 198 I HA 0.458 4.624 4.170 -0.008 0.000 0.290 198 I C 0.776 176.882 176.117 -0.019 0.000 1.050 198 I CA -0.396 60.910 61.300 0.010 0.000 1.245 198 I CB 1.312 39.318 38.000 0.011 0.000 1.405 198 I HN 0.314 nan 8.210 nan 0.000 0.478 202 E N 1.757 121.543 120.200 -0.689 0.000 2.107 202 E HA 0.046 4.391 4.350 -0.008 0.000 0.191 202 E C 0.817 177.286 176.600 -0.218 0.000 0.982 202 E CA 1.073 57.184 56.400 -0.482 0.000 0.809 202 E CB 0.235 29.615 29.700 -0.533 0.000 0.756 202 E HN 0.218 nan 8.360 nan 0.000 0.459 209 Q N -0.367 119.518 119.800 0.143 0.000 2.398 209 Q HA 0.128 4.463 4.340 -0.008 0.000 0.204 209 Q C 1.633 177.676 176.000 0.073 0.000 0.932 209 Q CA 0.026 55.903 55.803 0.122 0.000 0.916 209 Q CB 0.016 28.826 28.738 0.119 0.000 1.024 209 Q HN 0.664 nan 8.270 nan 0.000 0.504 210 Y N 0.174 120.424 120.300 -0.084 0.000 2.102 210 Y HA -0.257 4.288 4.550 -0.008 0.000 0.280 210 Y C 0.347 176.007 175.900 -0.399 0.000 1.178 210 Y CA 1.344 59.268 58.100 -0.292 0.000 1.146 210 Y CB 0.140 38.322 38.460 -0.465 0.000 0.968 210 Y HN -0.054 nan 8.280 nan 0.000 0.504 215 Y N 1.494 121.743 120.300 -0.086 0.000 2.181 215 Y HA -0.144 4.401 4.550 -0.008 0.000 0.288 215 Y C 1.823 177.700 175.900 -0.038 0.000 1.146 215 Y CA 1.792 59.817 58.100 -0.125 0.000 1.164 215 Y CB -0.289 38.015 38.460 -0.260 0.000 0.982 215 Y HN -0.107 nan 8.280 nan 0.000 0.515 216 F N 0.290 120.213 119.950 -0.046 0.000 2.451 216 F HA -0.078 4.444 4.527 -0.008 0.000 0.299 216 F C 1.045 176.755 175.800 -0.150 0.000 1.101 216 F CA 0.903 58.830 58.000 -0.121 0.000 1.436 216 F CB -0.420 38.593 39.000 0.022 0.000 1.074 216 F HN 0.168 nan 8.300 nan 0.000 0.553 217 N N -0.697 118.031 118.700 0.046 0.000 2.553 217 N HA 0.248 4.983 4.740 -0.008 0.000 0.298 217 N C 1.162 176.656 175.510 -0.028 0.000 1.596 217 N CA 0.742 53.801 53.050 0.015 0.000 0.910 217 N CB 1.013 39.526 38.487 0.043 0.000 1.336 217 N HN 0.247 nan 8.380 nan 0.000 0.497 218 G N -0.443 108.310 108.800 -0.078 0.000 2.175 218 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.244 218 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.244 218 G C 0.490 175.364 174.900 -0.044 0.000 0.982 218 G CA 0.060 45.120 45.100 -0.066 0.000 0.641 218 G HN 0.588 nan 8.290 nan 0.000 0.527 219 G N -0.831 107.950 108.800 -0.031 0.000 2.782 219 G HA2 0.697 4.652 3.960 -0.008 0.000 0.201 219 G HA3 0.697 4.652 3.960 -0.008 0.000 0.201 219 G C -0.184 174.750 174.900 0.057 0.000 1.374 219 G CA 0.026 45.135 45.100 0.014 0.000 1.039 219 G HN 0.415 nan 8.290 nan 0.000 0.576 223 P HA 0.481 nan 4.420 nan 0.000 0.276 223 P C -0.200 176.920 177.300 -0.300 0.000 1.261 223 P CA -0.140 62.788 63.100 -0.286 0.000 0.800 223 P CB 0.618 32.149 31.700 -0.281 0.000 1.066 227 K N 3.085 123.424 120.400 -0.102 0.000 3.077 227 K HA -0.219 4.096 4.320 -0.008 0.000 0.264 227 K C 0.932 177.459 176.600 -0.122 0.000 1.008 227 K CA 0.970 57.197 56.287 -0.099 0.000 0.740 227 K CB -1.911 30.540 32.500 -0.082 0.000 1.273 227 K HN 1.788 nan 8.250 nan 0.000 0.477 228 G N -0.154 108.577 108.800 -0.116 0.000 2.162 228 G HA2 -0.357 3.599 3.960 -0.008 0.000 0.260 228 G HA3 -0.357 3.599 3.960 -0.008 0.000 0.260 228 G C -0.037 174.797 174.900 -0.110 0.000 0.976 228 G CA 0.781 45.819 45.100 -0.105 0.000 0.655 228 G HN 0.378 nan 8.290 nan 0.000 0.533 229 K N 0.505 120.818 120.400 -0.145 0.000 2.144 229 K HA 0.370 4.686 4.320 -0.008 0.000 0.270 229 K C 0.076 176.628 176.600 -0.080 0.000 1.005 229 K CA -0.625 55.582 56.287 -0.134 0.000 0.932 229 K CB 0.948 33.336 32.500 -0.186 0.000 1.021 229 K HN 0.251 nan 8.250 nan 0.000 0.462 230 D N 2.642 123.034 120.400 -0.014 0.000 2.571 230 D HA -0.062 4.573 4.640 -0.008 0.000 0.231 230 D C -1.169 175.057 176.300 -0.124 0.000 1.133 230 D CA -0.981 53.016 54.000 -0.004 0.000 0.862 230 D CB 0.825 41.694 40.800 0.115 0.000 1.179 230 D HN 0.235 nan 8.370 nan 0.000 0.474 231 P HA -0.166 nan 4.420 nan 0.000 0.220 231 P C 0.261 177.168 177.300 -0.655 0.000 1.148 231 P CA 1.457 64.234 63.100 -0.538 0.000 0.803 231 P CB 0.107 31.292 31.700 -0.858 0.000 0.782 232 Y N -2.951 117.152 120.300 -0.328 0.000 2.589 232 Y HA 0.231 4.776 4.550 -0.008 0.000 0.271 232 Y C 0.777 176.162 175.900 -0.858 0.000 1.107 232 Y CA -0.248 57.441 58.100 -0.685 0.000 1.273 232 Y CB -0.179 37.752 38.460 -0.882 0.000 1.266 232 Y HN -0.223 nan 8.280 nan 0.000 0.504 233 Y N 0.623 120.903 120.300 -0.033 0.000 2.328 233 Y HA 0.649 5.195 4.550 -0.008 0.000 0.337 233 Y C 0.329 176.256 175.900 0.045 0.000 0.966 233 Y CA -1.963 56.130 58.100 -0.011 0.000 1.136 233 Y CB 0.841 39.322 38.460 0.036 0.000 1.170 233 Y HN -0.041 nan 8.280 nan 0.000 0.470 234 A N 1.986 124.926 122.820 0.200 0.000 2.462 234 A HA 0.458 4.773 4.320 -0.008 0.000 0.243 234 A C 1.336 179.050 177.584 0.218 0.000 1.076 234 A CA 0.501 52.656 52.037 0.197 0.000 0.773 234 A CB -0.603 18.509 19.000 0.186 0.000 1.010 234 A HN 1.561 nan 8.150 nan 0.000 0.493 235 G N -0.051 108.906 108.800 0.263 0.000 2.155 235 G HA2 -0.223 3.733 3.960 -0.008 0.000 0.257 235 G HA3 -0.223 3.733 3.960 -0.008 0.000 0.257 235 G C 0.132 175.143 174.900 0.186 0.000 0.983 235 G CA 0.321 45.513 45.100 0.153 0.000 0.676 235 G HN 1.222 nan 8.290 nan 0.000 0.528 236 C N 0.048 119.525 119.300 0.295 0.000 2.369 236 C HA 0.940 5.396 4.460 -0.008 0.000 0.322 236 C C 1.051 176.208 174.990 0.277 0.000 1.258 236 C CA 0.449 59.612 59.018 0.242 0.000 1.487 236 C CB 0.709 28.559 27.740 0.182 0.000 2.165 236 C HN 2.074 nan 8.230 nan 0.000 0.483 237 G N 2.232 111.189 108.800 0.262 0.000 2.384 237 G HA2 0.133 4.088 3.960 -0.008 0.000 0.200 237 G HA3 0.133 4.088 3.960 -0.008 0.000 0.200 237 G C -1.353 173.684 174.900 0.228 0.000 1.205 237 G CA -0.453 44.750 45.100 0.172 0.000 1.116 237 G HN 0.886 nan 8.290 nan 0.000 0.547 238 L N 0.566 121.813 121.223 0.039 0.000 2.326 238 L HA 0.836 5.172 4.340 -0.008 0.000 0.278 238 L C -0.817 175.979 176.870 -0.123 0.000 1.092 238 L CA -0.655 54.218 54.840 0.055 0.000 0.810 238 L CB 0.635 42.683 42.059 -0.018 0.000 1.153 238 L HN 0.602 nan 8.230 nan 0.000 0.439 239 Y N 3.032 123.437 120.300 0.175 0.000 2.553 239 Y HA 0.451 4.997 4.550 -0.008 0.000 0.347 239 Y C -0.482 175.525 175.900 0.178 0.000 1.019 239 Y CA -0.892 57.309 58.100 0.170 0.000 1.032 239 Y CB 1.690 40.250 38.460 0.167 0.000 1.284 239 Y HN 0.447 nan 8.280 nan 0.000 0.466 240 K N 2.056 122.595 120.400 0.232 0.000 2.240 240 K HA 0.609 4.924 4.320 -0.008 0.000 0.271 240 K C -1.040 175.558 176.600 -0.004 0.000 1.018 240 K CA -0.251 56.034 56.287 -0.003 0.000 0.874 240 K CB 0.455 32.895 32.500 -0.099 0.000 1.098 240 K HN 0.768 nan 8.250 nan 0.000 0.458 241 C N 1.929 121.183 119.300 -0.076 0.000 2.534 241 C HA 0.412 4.868 4.460 -0.008 0.000 0.398 241 C C 2.032 176.946 174.990 -0.127 0.000 1.609 241 C CA -0.406 58.568 59.018 -0.074 0.000 1.916 241 C CB 0.915 28.615 27.740 -0.067 0.000 1.954 241 C HN 1.010 nan 8.230 nan 0.000 0.508 242 A N 0.882 123.630 122.820 -0.120 0.000 1.898 242 A HA -0.101 4.214 4.320 -0.008 0.000 0.216 242 A C 1.259 178.767 177.584 -0.126 0.000 1.181 242 A CA 2.284 54.246 52.037 -0.125 0.000 0.620 242 A CB -0.419 18.502 19.000 -0.132 0.000 0.819 242 A HN 0.948 nan 8.150 nan 0.000 0.442 243 D N -2.383 117.946 120.400 -0.118 0.000 2.593 243 D HA 0.445 5.080 4.640 -0.008 0.000 0.241 243 D C 0.474 176.712 176.300 -0.103 0.000 1.257 243 D CA 0.601 54.541 54.000 -0.101 0.000 0.828 243 D CB -0.153 40.603 40.800 -0.074 0.000 1.049 243 D HN 0.626 nan 8.370 nan 0.000 0.490 244 G N -0.776 107.923 108.800 -0.169 0.000 2.356 244 G HA2 0.225 4.181 3.960 -0.008 0.000 0.288 244 G HA3 0.225 4.181 3.960 -0.008 0.000 0.288 244 G C -1.951 172.798 174.900 -0.252 0.000 1.302 244 G CA -1.139 43.852 45.100 -0.183 0.000 0.887 244 G HN 0.020 nan 8.290 nan 0.000 0.521 245 Y N -0.325 119.990 120.300 0.025 0.000 2.419 245 Y HA 0.728 5.274 4.550 -0.008 0.000 0.328 245 Y C 0.850 176.790 175.900 0.066 0.000 1.162 245 Y CA -0.449 57.680 58.100 0.049 0.000 1.174 245 Y CB 1.780 40.262 38.460 0.037 0.000 1.228 245 Y HN 0.723 nan 8.280 nan 0.000 0.473 246 I N -0.070 120.662 120.570 0.268 0.000 2.934 246 I HA 0.867 5.033 4.170 -0.008 0.000 0.306 246 I C -0.689 175.588 176.117 0.266 0.000 1.110 246 I CA -1.238 60.196 61.300 0.223 0.000 1.019 246 I CB 1.562 39.669 38.000 0.179 0.000 1.227 246 I HN 0.371 nan 8.210 nan 0.000 0.434 250 L N 3.479 124.639 121.223 -0.104 0.000 2.462 250 L HA 0.234 4.570 4.340 -0.008 0.000 0.283 250 L C -1.082 175.726 176.870 -0.103 0.000 1.166 250 L CA 0.016 54.768 54.840 -0.146 0.000 0.964 250 L CB 0.213 42.210 42.059 -0.103 0.000 1.294 250 L HN 0.212 nan 8.230 nan 0.000 0.449 251 V N 3.812 123.650 119.914 -0.128 0.000 2.733 251 V HA 0.954 5.070 4.120 -0.008 0.000 0.306 251 V C 0.197 176.220 176.094 -0.119 0.000 1.084 251 V CA -0.165 62.068 62.300 -0.112 0.000 0.905 251 V CB 1.402 33.164 31.823 -0.102 0.000 1.010 251 V HN 0.909 nan 8.190 nan 0.000 0.424 252 G N 3.160 111.892 108.800 -0.113 0.000 2.465 252 G HA2 0.011 3.967 3.960 -0.008 0.000 0.681 252 G HA3 0.011 3.967 3.960 -0.008 0.000 0.681 252 G C -0.076 174.750 174.900 -0.122 0.000 1.340 252 G CA -0.308 44.728 45.100 -0.106 0.000 0.884 252 G HN 0.619 nan 8.290 nan 0.000 0.650 253 I N 0.359 120.866 120.570 -0.105 0.000 2.142 253 I HA -0.144 4.022 4.170 -0.008 0.000 0.240 253 I C 2.951 178.991 176.117 -0.129 0.000 1.078 253 I CA 2.196 63.428 61.300 -0.114 0.000 1.343 253 I CB -0.410 37.539 38.000 -0.085 0.000 1.046 253 I HN 0.638 nan 8.210 nan 0.000 0.405 254 T N -0.348 114.143 114.554 -0.105 0.000 2.904 254 T HA -0.143 4.203 4.350 -0.008 0.000 0.267 254 T C 1.829 176.456 174.700 -0.121 0.000 1.059 254 T CA 0.964 63.004 62.100 -0.099 0.000 1.137 254 T CB -0.124 68.701 68.868 -0.071 0.000 0.879 254 T HN 0.251 nan 8.240 nan 0.000 0.467 255 Q N 0.914 120.633 119.800 -0.136 0.000 2.030 255 Q HA 0.016 4.351 4.340 -0.008 0.000 0.204 255 Q C 2.217 178.099 176.000 -0.196 0.000 0.986 255 Q CA 1.461 57.162 55.803 -0.170 0.000 0.843 255 Q CB -0.498 28.130 28.738 -0.183 0.000 0.904 255 Q HN 0.487 nan 8.270 nan 0.000 0.420 256 I N 0.363 120.796 120.570 -0.228 0.000 2.179 256 I HA -0.284 3.881 4.170 -0.008 0.000 0.242 256 I C 2.092 177.972 176.117 -0.394 0.000 1.088 256 I CA 1.244 62.334 61.300 -0.351 0.000 1.357 256 I CB -0.252 37.479 38.000 -0.447 0.000 1.051 256 I HN 0.291 nan 8.210 nan 0.000 0.409 257 E N 0.450 120.476 120.200 -0.291 0.000 2.049 257 E HA -0.248 4.098 4.350 -0.008 0.000 0.198 257 E C 2.121 178.664 176.600 -0.094 0.000 1.007 257 E CA 1.317 57.600 56.400 -0.195 0.000 0.809 257 E CB -0.055 29.563 29.700 -0.136 0.000 0.749 257 E HN 0.407 nan 8.360 nan 0.000 0.450 258 E N 0.193 120.337 120.200 -0.093 0.000 2.112 258 E HA -0.123 4.223 4.350 -0.008 0.000 0.190 258 E C 2.162 178.710 176.600 -0.086 0.000 0.979 258 E CA 0.387 56.746 56.400 -0.068 0.000 0.814 258 E CB -0.617 29.046 29.700 -0.062 0.000 0.762 258 E HN 0.275 nan 8.360 nan 0.000 0.460 259 C N 0.456 119.693 119.300 -0.106 0.000 2.432 259 C HA -0.142 4.313 4.460 -0.008 0.000 0.277 259 C C 2.516 177.475 174.990 -0.051 0.000 1.249 259 C CA 0.381 59.309 59.018 -0.150 0.000 1.725 259 C CB -1.320 26.336 27.740 -0.140 0.000 2.028 259 C HN 0.246 nan 8.230 nan 0.000 0.477 260 F N 1.653 121.481 119.950 -0.205 0.000 2.120 260 F HA -0.116 4.406 4.527 -0.008 0.000 0.300 260 F C 2.404 178.109 175.800 -0.159 0.000 1.095 260 F CA 1.974 59.871 58.000 -0.172 0.000 1.249 260 F CB -0.817 38.097 39.000 -0.144 0.000 0.995 260 F HN 0.332 nan 8.300 nan 0.000 0.480 261 K N -0.201 120.232 120.400 0.056 0.000 2.026 261 K HA -0.184 4.131 4.320 -0.008 0.000 0.208 261 K C 1.761 178.329 176.600 -0.054 0.000 1.048 261 K CA 1.645 57.932 56.287 0.001 0.000 0.929 261 K CB -0.383 32.119 32.500 0.003 0.000 0.713 261 K HN 0.120 nan 8.250 nan 0.000 0.439 262 D N 0.992 121.304 120.400 -0.147 0.000 2.116 262 D HA -0.175 4.461 4.640 -0.008 0.000 0.193 262 D C 1.773 177.895 176.300 -0.297 0.000 0.998 262 D CA 1.321 55.165 54.000 -0.261 0.000 0.836 262 D CB -0.133 40.286 40.800 -0.634 0.000 0.951 262 D HN 0.420 nan 8.370 nan 0.000 0.449 263 I N -4.227 116.129 120.570 -0.356 0.000 3.793 263 I HA 0.316 4.481 4.170 -0.008 0.000 0.315 263 I C 1.007 177.084 176.117 -0.066 0.000 1.275 263 I CA 0.627 61.793 61.300 -0.222 0.000 1.214 263 I CB 0.291 38.127 38.000 -0.273 0.000 1.018 263 I HN 0.052 nan 8.210 nan 0.000 0.439 264 G N 2.141 110.904 108.800 -0.061 0.000 2.141 264 G HA2 -0.167 3.789 3.960 -0.008 0.000 0.195 264 G HA3 -0.167 3.789 3.960 -0.008 0.000 0.195 264 G C -0.095 174.786 174.900 -0.032 0.000 1.012 264 G CA -0.045 45.051 45.100 -0.007 0.000 0.696 264 G HN 0.246 nan 8.290 nan 0.000 0.508 265 L N 0.495 121.634 121.223 -0.141 0.000 3.168 265 L HA 0.637 4.972 4.340 -0.008 0.000 0.277 265 L C 2.307 179.070 176.870 -0.178 0.000 1.245 265 L CA 0.680 55.333 54.840 -0.312 0.000 1.035 265 L CB -0.015 41.616 42.059 -0.712 0.000 1.399 265 L HN 0.428 nan 8.230 nan 0.000 0.580 266 A N -0.243 122.572 122.820 -0.009 0.000 1.986 266 A HA -0.245 4.070 4.320 -0.008 0.000 0.220 266 A C 2.094 179.692 177.584 0.023 0.000 1.171 266 A CA 2.065 54.129 52.037 0.045 0.000 0.640 266 A CB -0.784 18.250 19.000 0.057 0.000 0.811 266 A HN 0.703 nan 8.150 nan 0.000 0.451 267 H N -0.805 118.268 119.070 0.004 0.000 2.521 267 H HA 0.063 4.615 4.556 -0.008 0.000 0.286 267 H C 1.561 176.882 175.328 -0.011 0.000 1.034 267 H CA 1.269 57.309 56.048 -0.014 0.000 1.278 267 H CB -0.506 29.230 29.762 -0.043 0.000 1.386 267 H HN 0.482 nan 8.280 nan 0.000 0.567 268 L N 0.942 121.915 121.223 -0.416 0.000 2.418 268 L HA 0.134 4.470 4.340 -0.008 0.000 0.218 268 L C 0.842 177.720 176.870 0.012 0.000 1.125 268 L CA -0.035 54.676 54.840 -0.215 0.000 0.835 268 L CB -0.005 41.902 42.059 -0.254 0.000 0.953 268 L HN 0.080 nan 8.230 nan 0.000 0.454 269 L N 0.669 121.908 121.223 0.027 0.000 2.455 269 L HA 0.175 4.510 4.340 -0.008 0.000 0.272 269 L C 1.308 178.178 176.870 0.000 0.000 1.174 269 L CA 0.525 55.361 54.840 -0.006 0.000 0.869 269 L CB 0.292 42.335 42.059 -0.026 0.000 1.130 269 L HN 0.328 nan 8.230 nan 0.000 0.474 270 G N 1.366 110.161 108.800 -0.008 0.000 2.143 270 G HA2 -0.273 3.683 3.960 -0.008 0.000 0.249 270 G HA3 -0.273 3.683 3.960 -0.008 0.000 0.249 270 G C 0.299 175.215 174.900 0.028 0.000 0.981 270 G CA 0.270 45.373 45.100 0.005 0.000 0.665 270 G HN 0.739 nan 8.290 nan 0.000 0.528 271 T N -1.744 112.839 114.554 0.048 0.000 2.849 271 T HA 0.627 4.972 4.350 -0.008 0.000 0.284 271 T C -0.543 174.202 174.700 0.074 0.000 1.004 271 T CA -0.904 61.242 62.100 0.077 0.000 1.021 271 T CB 2.154 71.095 68.868 0.123 0.000 1.013 271 T HN -0.045 nan 8.240 nan 0.000 0.527 272 P HA -0.116 nan 4.420 nan 0.000 0.218 272 P C 0.917 178.257 177.300 0.067 0.000 1.146 272 P CA 1.175 64.309 63.100 0.057 0.000 0.813 272 P CB 0.142 31.872 31.700 0.049 0.000 0.778 273 E N -0.612 119.656 120.200 0.115 0.000 2.076 273 E HA 0.001 4.347 4.350 -0.008 0.000 0.190 273 E C 0.828 177.509 176.600 0.136 0.000 0.979 273 E CA 0.818 57.294 56.400 0.127 0.000 0.807 273 E CB -0.111 29.715 29.700 0.210 0.000 0.761 273 E HN 0.220 nan 8.360 nan 0.000 0.454 274 I N 1.914 122.568 120.570 0.139 0.000 2.697 274 I HA 0.292 4.458 4.170 -0.008 0.000 0.279 274 I C -2.574 173.556 176.117 0.021 0.000 1.171 274 I CA -2.703 58.643 61.300 0.078 0.000 1.135 274 I CB 0.280 38.340 38.000 0.100 0.000 1.445 274 I HN -0.214 nan 8.210 nan 0.000 0.541 275 P HA 0.064 nan 4.420 nan 0.000 0.269 275 P C 0.277 177.560 177.300 -0.029 0.000 1.215 275 P CA -0.126 62.974 63.100 -0.001 0.000 0.780 275 P CB 0.804 32.506 31.700 0.002 0.000 0.898 276 E N 1.120 121.303 120.200 -0.027 0.000 2.529 276 E HA 0.128 4.474 4.350 -0.008 0.000 0.259 276 E C 1.046 177.620 176.600 -0.042 0.000 0.966 276 E CA 1.146 57.522 56.400 -0.040 0.000 0.937 276 E CB -0.503 29.180 29.700 -0.028 0.000 0.923 276 E HN 0.776 nan 8.360 nan 0.000 0.468 277 G N 3.160 111.925 108.800 -0.058 0.000 2.176 277 G HA2 -0.248 3.708 3.960 -0.008 0.000 0.232 277 G HA3 -0.248 3.708 3.960 -0.008 0.000 0.232 277 G C 0.357 175.221 174.900 -0.061 0.000 0.986 277 G CA 0.152 45.219 45.100 -0.055 0.000 0.643 277 G HN 0.605 nan 8.290 nan 0.000 0.522 278 T N 0.873 115.383 114.554 -0.074 0.000 2.871 278 T HA 0.315 4.660 4.350 -0.008 0.000 0.296 278 T C 1.348 175.992 174.700 -0.093 0.000 0.998 278 T CA 1.028 63.084 62.100 -0.073 0.000 1.162 278 T CB 1.096 69.910 68.868 -0.090 0.000 0.947 278 T HN 0.476 nan 8.240 nan 0.000 0.536 279 Q N 1.220 120.981 119.800 -0.066 0.000 2.317 279 Q HA 0.353 4.688 4.340 -0.008 0.000 0.220 279 Q C -0.557 175.398 176.000 -0.074 0.000 0.873 279 Q CA -0.059 55.697 55.803 -0.077 0.000 0.936 279 Q CB 0.576 29.275 28.738 -0.066 0.000 1.105 279 Q HN 0.302 nan 8.270 nan 0.000 0.520 280 L N 0.847 122.050 121.223 -0.033 0.000 2.543 280 L HA 0.353 4.688 4.340 -0.008 0.000 0.265 280 L C -1.717 175.238 176.870 0.142 0.000 0.945 280 L CA -0.471 54.375 54.840 0.009 0.000 0.869 280 L CB 1.974 43.989 42.059 -0.074 0.000 1.294 280 L HN -0.045 nan 8.230 nan 0.000 0.405 281 I N 4.197 124.885 120.570 0.195 0.000 2.301 281 I HA 0.210 4.375 4.170 -0.008 0.000 0.292 281 I C 0.269 176.604 176.117 0.363 0.000 1.046 281 I CA -0.359 61.094 61.300 0.254 0.000 1.282 281 I CB 0.624 38.766 38.000 0.238 0.000 1.409 281 I HN 0.539 nan 8.210 nan 0.000 0.484 282 H N 6.996 126.205 119.070 0.232 0.000 2.864 282 H HA 0.150 4.701 4.556 -0.008 0.000 0.281 282 H C 1.145 176.491 175.328 0.031 0.000 1.093 282 H CA 0.256 56.334 56.048 0.051 0.000 1.453 282 H CB 0.992 30.754 29.762 -0.000 0.000 1.462 282 H HN 0.557 nan 8.280 nan 0.000 0.480 283 R N 4.547 125.033 120.500 -0.023 0.000 2.115 283 R HA -0.085 4.250 4.340 -0.008 0.000 0.230 283 R C 2.019 178.374 176.300 0.091 0.000 1.111 283 R CA 1.540 57.669 56.100 0.049 0.000 0.976 283 R CB 0.141 30.437 30.300 -0.007 0.000 0.870 283 R HN 0.753 nan 8.270 nan 0.000 0.445 284 I N -3.280 117.394 120.570 0.172 0.000 2.731 284 I HA 0.041 4.207 4.170 -0.008 0.000 0.260 284 I C 1.134 177.330 176.117 0.132 0.000 1.138 284 I CA 0.759 62.152 61.300 0.154 0.000 1.461 284 I CB -0.227 37.867 38.000 0.158 0.000 1.128 284 I HN 0.006 nan 8.210 nan 0.000 0.438 285 E N 0.832 121.145 120.200 0.189 0.000 2.152 285 E HA -0.081 4.264 4.350 -0.008 0.000 0.192 285 E C 0.879 177.483 176.600 0.006 0.000 0.983 285 E CA 0.679 57.071 56.400 -0.014 0.000 0.818 285 E CB 0.102 29.658 29.700 -0.240 0.000 0.758 285 E HN 0.518 nan 8.360 nan 0.000 0.467 286 C N 2.059 121.400 119.300 0.069 0.000 2.482 286 C HA 0.183 4.639 4.460 -0.008 0.000 0.378 286 C C -1.467 173.501 174.990 -0.036 0.000 1.284 286 C CA -1.969 57.070 59.018 0.036 0.000 1.826 286 C CB 0.300 28.115 27.740 0.125 0.000 2.473 286 C HN 0.145 nan 8.230 nan 0.000 0.562 287 P HA -0.083 nan 4.420 nan 0.000 0.221 287 P C 0.049 177.171 177.300 -0.297 0.000 1.145 287 P CA 1.508 64.417 63.100 -0.319 0.000 0.795 287 P CB -0.071 31.286 31.700 -0.571 0.000 0.775 288 Y N -1.780 118.553 120.300 0.055 0.000 2.485 288 Y HA 0.345 4.891 4.550 -0.008 0.000 0.260 288 Y C 2.317 178.242 175.900 0.043 0.000 1.173 288 Y CA -0.371 57.754 58.100 0.042 0.000 1.252 288 Y CB -1.162 37.321 38.460 0.038 0.000 1.123 288 Y HN -0.101 nan 8.280 nan 0.000 0.524 289 G N 2.066 110.959 108.800 0.155 0.000 2.586 289 G HA2 -0.266 3.690 3.960 -0.008 0.000 0.218 289 G HA3 -0.266 3.690 3.960 -0.008 0.000 0.218 289 G C -0.452 174.508 174.900 0.100 0.000 1.216 289 G CA 1.009 46.184 45.100 0.126 0.000 0.786 289 G HN 0.268 nan 8.290 nan 0.000 0.583 290 P HA -0.079 nan 4.420 nan 0.000 0.216 290 P C 1.999 179.340 177.300 0.068 0.000 1.150 290 P CA 0.635 63.773 63.100 0.064 0.000 0.843 290 P CB -0.110 31.621 31.700 0.051 0.000 0.787 291 L N -0.718 120.556 121.223 0.084 0.000 2.056 291 L HA -0.113 4.222 4.340 -0.008 0.000 0.207 291 L C 2.133 178.993 176.870 -0.017 0.000 1.078 291 L CA 1.691 56.560 54.840 0.048 0.000 0.749 291 L CB -1.140 40.963 42.059 0.073 0.000 0.901 291 L HN -0.204 nan 8.230 nan 0.000 0.433 292 V N 0.073 119.972 119.914 -0.024 0.000 2.252 292 V HA -0.299 3.816 4.120 -0.008 0.000 0.249 292 V C 2.696 178.794 176.094 0.006 0.000 1.056 292 V CA 2.045 64.290 62.300 -0.091 0.000 1.022 292 V CB -0.777 31.051 31.823 0.007 0.000 0.641 292 V HN 0.477 nan 8.190 nan 0.000 0.445 293 E N -0.134 120.116 120.200 0.082 0.000 2.058 293 E HA -0.269 4.077 4.350 -0.008 0.000 0.194 293 E C 2.195 178.871 176.600 0.128 0.000 0.997 293 E CA 1.575 58.064 56.400 0.148 0.000 0.801 293 E CB -0.369 29.407 29.700 0.127 0.000 0.746 293 E HN 0.764 nan 8.360 nan 0.000 0.450 294 E N 0.678 120.924 120.200 0.076 0.000 2.058 294 E HA -0.210 4.136 4.350 -0.008 0.000 0.194 294 E C 1.842 178.485 176.600 0.072 0.000 0.997 294 E CA 1.176 57.616 56.400 0.067 0.000 0.801 294 E CB 0.207 29.934 29.700 0.045 0.000 0.746 294 E HN -0.016 nan 8.360 nan 0.000 0.450 295 K N 0.307 120.728 120.400 0.035 0.000 2.103 295 K HA -0.115 4.200 4.320 -0.008 0.000 0.204 295 K C 2.205 178.860 176.600 0.091 0.000 1.052 295 K CA 0.374 56.679 56.287 0.031 0.000 0.945 295 K CB -0.487 31.971 32.500 -0.071 0.000 0.722 295 K HN 0.181 nan 8.250 nan 0.000 0.443 296 L N 2.395 123.664 121.223 0.076 0.000 2.017 296 L HA -0.177 4.158 4.340 -0.008 0.000 0.208 296 L C 1.572 178.584 176.870 0.237 0.000 1.073 296 L CA 1.922 56.834 54.840 0.119 0.000 0.745 296 L CB -0.760 41.329 42.059 0.050 0.000 0.894 296 L HN 0.103 nan 8.230 nan 0.000 0.432 297 D N -0.338 120.217 120.400 0.259 0.000 2.116 297 D HA -0.203 4.433 4.640 -0.008 0.000 0.193 297 D C 2.173 178.590 176.300 0.194 0.000 0.998 297 D CA 1.672 55.826 54.000 0.256 0.000 0.836 297 D CB -0.235 40.679 40.800 0.190 0.000 0.951 297 D HN 0.456 nan 8.370 nan 0.000 0.449 298 A N -0.085 122.838 122.820 0.171 0.000 1.902 298 A HA -0.165 4.150 4.320 -0.008 0.000 0.217 298 A C 2.193 179.892 177.584 0.192 0.000 1.181 298 A CA 1.506 53.629 52.037 0.144 0.000 0.623 298 A CB -1.191 17.883 19.000 0.122 0.000 0.818 298 A HN 0.416 nan 8.150 nan 0.000 0.443 299 W N 0.525 121.868 121.300 0.071 0.000 2.379 299 W HA -0.090 4.566 4.660 -0.008 0.000 0.307 299 W C 1.802 178.424 176.519 0.171 0.000 1.200 299 W CA 1.777 59.191 57.345 0.114 0.000 1.297 299 W CB -0.277 29.213 29.460 0.049 0.000 1.140 299 W HN 0.241 nan 8.180 nan 0.000 0.507 300 L N 0.578 121.980 121.223 0.299 0.000 2.046 300 L HA -0.196 4.139 4.340 -0.008 0.000 0.208 300 L C 2.670 179.538 176.870 -0.004 0.000 1.077 300 L CA 1.395 56.294 54.840 0.099 0.000 0.747 300 L CB -1.366 40.815 42.059 0.203 0.000 0.896 300 L HN 0.090 nan 8.230 nan 0.000 0.432 301 A N -1.140 121.698 122.820 0.030 0.000 2.070 301 A HA -0.183 4.133 4.320 -0.008 0.000 0.220 301 A C 2.311 179.837 177.584 -0.097 0.000 1.159 301 A CA 2.166 54.187 52.037 -0.027 0.000 0.656 301 A CB -0.633 18.367 19.000 0.000 0.000 0.800 301 A HN 0.362 nan 8.150 nan 0.000 0.453 302 T N -1.148 113.321 114.554 -0.142 0.000 3.067 302 T HA 0.116 4.461 4.350 -0.008 0.000 0.257 302 T C 0.066 174.471 174.700 -0.491 0.000 1.105 302 T CA 0.463 62.388 62.100 -0.291 0.000 1.104 302 T CB -0.188 68.490 68.868 -0.317 0.000 0.925 302 T HN 0.638 nan 8.240 nan 0.000 0.498 303 H N 0.747 119.579 119.070 -0.395 0.000 2.529 303 H HA 0.459 5.010 4.556 -0.008 0.000 0.348 303 H C 0.499 175.659 175.328 -0.281 0.000 1.152 303 H CA -0.649 55.151 56.048 -0.414 0.000 1.202 303 H CB 1.037 30.384 29.762 -0.691 0.000 1.562 303 H HN 0.064 nan 8.280 nan 0.000 0.515 304 T N -0.862 113.624 114.554 -0.114 0.000 2.828 304 T HA 0.158 4.503 4.350 -0.008 0.000 0.290 304 T C 1.612 176.256 174.700 -0.093 0.000 1.019 304 T CA -0.574 61.467 62.100 -0.098 0.000 1.031 304 T CB 0.596 69.414 68.868 -0.084 0.000 1.001 304 T HN 0.527 nan 8.240 nan 0.000 0.531 305 I N 1.298 121.823 120.570 -0.074 0.000 2.208 305 I HA -0.166 3.999 4.170 -0.008 0.000 0.245 305 I C 2.977 179.057 176.117 -0.062 0.000 1.097 305 I CA 1.836 63.099 61.300 -0.061 0.000 1.363 305 I CB -0.800 37.185 38.000 -0.026 0.000 1.051 305 I HN 0.894 nan 8.210 nan 0.000 0.413 306 A N 0.155 122.947 122.820 -0.047 0.000 1.933 306 A HA -0.241 4.075 4.320 -0.008 0.000 0.218 306 A C 2.217 179.774 177.584 -0.045 0.000 1.175 306 A CA 1.816 53.832 52.037 -0.034 0.000 0.628 306 A CB -0.574 18.411 19.000 -0.024 0.000 0.814 306 A HN 0.468 nan 8.150 nan 0.000 0.444 307 E N -0.518 119.646 120.200 -0.061 0.000 2.072 307 E HA -0.105 4.241 4.350 -0.008 0.000 0.191 307 E C 2.005 178.528 176.600 -0.128 0.000 0.985 307 E CA 1.217 57.582 56.400 -0.058 0.000 0.801 307 E CB -0.218 29.469 29.700 -0.022 0.000 0.750 307 E HN 0.402 nan 8.360 nan 0.000 0.452 308 V N 1.609 121.389 119.914 -0.223 0.000 2.295 308 V HA -0.272 3.843 4.120 -0.008 0.000 0.246 308 V C 2.102 177.976 176.094 -0.367 0.000 1.049 308 V CA 1.770 63.821 62.300 -0.415 0.000 1.024 308 V CB -0.389 31.157 31.823 -0.463 0.000 0.648 308 V HN 0.188 nan 8.190 nan 0.000 0.447 309 K N -0.200 120.105 120.400 -0.159 0.000 2.063 309 K HA -0.253 4.062 4.320 -0.008 0.000 0.208 309 K C 2.234 178.854 176.600 0.034 0.000 1.048 309 K CA 1.815 58.091 56.287 -0.018 0.000 0.928 309 K CB -0.196 32.312 32.500 0.014 0.000 0.713 309 K HN 0.568 nan 8.250 nan 0.000 0.442 310 E N 0.874 121.079 120.200 0.008 0.000 2.051 310 E HA -0.253 4.093 4.350 -0.008 0.000 0.192 310 E C 2.169 178.815 176.600 0.075 0.000 0.991 310 E CA 1.190 57.612 56.400 0.038 0.000 0.799 310 E CB 0.089 29.803 29.700 0.024 0.000 0.748 310 E HN 0.012 nan 8.360 nan 0.000 0.449 311 R N -0.108 120.438 120.500 0.076 0.000 2.075 311 R HA -0.106 4.229 4.340 -0.008 0.000 0.232 311 R C 2.046 178.526 176.300 0.300 0.000 1.126 311 R CA 1.469 57.668 56.100 0.164 0.000 0.963 311 R CB -0.724 29.703 30.300 0.213 0.000 0.858 311 R HN 0.212 nan 8.270 nan 0.000 0.435 312 F N 0.432 120.416 119.950 0.056 0.000 2.293 312 F HA 0.137 4.660 4.527 -0.008 0.000 0.300 312 F C 2.244 178.053 175.800 0.015 0.000 1.086 312 F CA 0.526 58.540 58.000 0.024 0.000 1.375 312 F CB -1.234 37.785 39.000 0.032 0.000 1.045 312 F HN 0.188 nan 8.300 nan 0.000 0.516 313 A N 0.150 123.096 122.820 0.210 0.000 1.877 313 A HA -0.203 4.112 4.320 -0.008 0.000 0.216 313 A C 2.175 179.810 177.584 0.085 0.000 1.186 313 A CA 1.698 53.804 52.037 0.116 0.000 0.620 313 A CB -0.777 18.276 19.000 0.088 0.000 0.822 313 A HN 0.395 nan 8.150 nan 0.000 0.443 314 E N -0.789 119.467 120.200 0.092 0.000 2.085 314 E HA -0.166 4.180 4.350 -0.008 0.000 0.194 314 E C 1.359 177.987 176.600 0.046 0.000 0.994 314 E CA 1.085 57.524 56.400 0.065 0.000 0.801 314 E CB -0.164 29.578 29.700 0.070 0.000 0.743 314 E HN 0.396 nan 8.360 nan 0.000 0.453 315 L N 0.610 121.867 121.223 0.058 0.000 2.558 315 L HA 0.061 4.397 4.340 -0.008 0.000 0.225 315 L C 0.323 177.170 176.870 -0.037 0.000 1.128 315 L CA 0.362 55.202 54.840 0.000 0.000 0.868 315 L CB -0.800 41.247 42.059 -0.019 0.000 1.006 315 L HN 0.107 nan 8.230 nan 0.000 0.454 316 N N 0.389 119.083 118.700 -0.010 0.000 2.738 316 N HA -0.260 4.476 4.740 -0.008 0.000 0.249 316 N C -0.476 174.986 175.510 -0.080 0.000 1.047 316 N CA 0.397 53.431 53.050 -0.027 0.000 0.707 316 N CB -1.268 37.201 38.487 -0.031 0.000 0.937 316 N HN 0.313 nan 8.380 nan 0.000 0.545 317 I N 0.582 121.079 120.570 -0.121 0.000 2.321 317 I HA 0.414 4.580 4.170 -0.008 0.000 0.291 317 I C 1.020 177.077 176.117 -0.100 0.000 0.998 317 I CA -0.741 60.410 61.300 -0.248 0.000 1.227 317 I CB 1.350 38.923 38.000 -0.712 0.000 1.368 317 I HN 0.327 nan 8.210 nan 0.000 0.466 318 A N 6.487 129.269 122.820 -0.064 0.000 2.520 318 A HA 0.441 4.756 4.320 -0.008 0.000 0.245 318 A C 0.004 177.627 177.584 0.066 0.000 1.072 318 A CA -0.140 51.904 52.037 0.013 0.000 0.761 318 A CB -0.104 18.898 19.000 0.004 0.000 1.004 318 A HN 0.994 nan 8.150 nan 0.000 0.499 319 C N -0.317 119.060 119.300 0.128 0.000 3.312 319 C HA 0.955 5.411 4.460 -0.008 0.000 0.332 319 C C -0.408 174.670 174.990 0.146 0.000 1.340 319 C CA -0.119 59.011 59.018 0.186 0.000 1.265 319 C CB 0.915 28.869 27.740 0.357 0.000 1.563 319 C HN 2.278 nan 8.230 nan 0.000 0.471 320 A N 1.338 124.245 122.820 0.144 0.000 2.566 320 A HA 0.744 5.060 4.320 -0.008 0.000 0.297 320 A C -0.996 176.659 177.584 0.117 0.000 1.059 320 A CA -0.443 51.662 52.037 0.115 0.000 0.691 320 A CB 1.178 20.237 19.000 0.099 0.000 1.282 320 A HN 1.197 nan 8.150 nan 0.000 0.401 321 K N 1.446 121.904 120.400 0.097 0.000 2.401 321 K HA 0.356 4.671 4.320 -0.008 0.000 0.278 321 K C -0.448 176.213 176.600 0.102 0.000 1.018 321 K CA -0.190 56.154 56.287 0.096 0.000 0.981 321 K CB 0.450 32.991 32.500 0.069 0.000 0.933 321 K HN 0.458 nan 8.250 nan 0.000 0.477 322 V N 6.949 126.937 119.914 0.124 0.000 2.390 322 V HA 0.034 4.150 4.120 -0.008 0.000 0.260 322 V C 0.441 176.585 176.094 0.084 0.000 1.043 322 V CA -0.103 62.258 62.300 0.102 0.000 1.047 322 V CB -0.278 31.608 31.823 0.106 0.000 1.066 322 V HN 0.629 nan 8.190 nan 0.000 0.481 323 L N 5.445 126.704 121.223 0.059 0.000 2.380 323 L HA 0.308 4.643 4.340 -0.008 0.000 0.273 323 L C 1.114 177.996 176.870 0.020 0.000 1.138 323 L CA -0.119 54.741 54.840 0.033 0.000 0.832 323 L CB 0.944 43.011 42.059 0.013 0.000 1.124 323 L HN 0.738 nan 8.230 nan 0.000 0.454 324 T N -0.853 113.709 114.554 0.013 0.000 2.849 324 T HA 0.205 4.550 4.350 -0.008 0.000 0.284 324 T C 1.307 175.996 174.700 -0.018 0.000 1.004 324 T CA -0.936 61.167 62.100 0.006 0.000 1.021 324 T CB 1.611 70.486 68.868 0.013 0.000 1.013 324 T HN 0.254 nan 8.240 nan 0.000 0.527 325 V N 2.175 122.081 119.914 -0.013 0.000 2.332 325 V HA -0.072 4.043 4.120 -0.008 0.000 0.248 325 V C -0.444 175.622 176.094 -0.045 0.000 1.055 325 V CA 1.676 63.962 62.300 -0.023 0.000 1.038 325 V CB -1.688 30.135 31.823 -0.000 0.000 0.651 325 V HN 0.814 nan 8.190 nan 0.000 0.450 326 P HA -0.094 nan 4.420 nan 0.000 0.228 326 P C 1.195 178.457 177.300 -0.062 0.000 1.151 326 P CA 0.997 64.073 63.100 -0.040 0.000 0.770 326 P CB -0.043 31.643 31.700 -0.023 0.000 0.786 327 E N -1.112 119.041 120.200 -0.078 0.000 2.474 327 E HA 0.070 4.415 4.350 -0.008 0.000 0.194 327 E C 1.653 178.140 176.600 -0.189 0.000 1.041 327 E CA 0.055 56.398 56.400 -0.096 0.000 0.874 327 E CB -0.213 29.450 29.700 -0.062 0.000 0.914 327 E HN 0.284 nan 8.360 nan 0.000 0.498 328 L N 0.834 121.887 121.223 -0.282 0.000 2.044 328 L HA -0.129 4.207 4.340 -0.008 0.000 0.205 328 L C 2.262 178.768 176.870 -0.606 0.000 1.075 328 L CA 1.249 55.701 54.840 -0.646 0.000 0.747 328 L CB -0.415 41.255 42.059 -0.648 0.000 0.903 328 L HN 0.122 nan 8.230 nan 0.000 0.435 329 E N 0.232 120.265 120.200 -0.279 0.000 2.160 329 E HA -0.196 4.150 4.350 -0.008 0.000 0.195 329 E C 2.030 178.594 176.600 -0.059 0.000 0.991 329 E CA 1.661 57.991 56.400 -0.117 0.000 0.810 329 E CB 0.016 29.685 29.700 -0.052 0.000 0.742 329 E HN 0.498 nan 8.360 nan 0.000 0.466 330 S N 0.234 115.887 115.700 -0.077 0.000 2.556 330 S HA 0.014 4.480 4.470 -0.008 0.000 0.216 330 S C 0.560 175.154 174.600 -0.011 0.000 0.970 330 S CA -0.540 57.644 58.200 -0.027 0.000 0.912 330 S CB -0.029 63.156 63.200 -0.025 0.000 0.790 330 S HN 0.080 nan 8.310 nan 0.000 0.504 331 N N 2.842 121.518 118.700 -0.039 0.000 2.483 331 N HA 0.125 4.860 4.740 -0.008 0.000 0.264 331 N C -1.941 173.641 175.510 0.121 0.000 1.197 331 N CA -1.168 51.904 53.050 0.037 0.000 0.927 331 N CB 1.264 39.775 38.487 0.038 0.000 1.065 331 N HN -0.035 nan 8.380 nan 0.000 0.461 332 P HA -0.172 nan 4.420 nan 0.000 0.216 332 P C 1.108 178.471 177.300 0.106 0.000 1.153 332 P CA 1.430 64.582 63.100 0.086 0.000 0.858 332 P CB 0.281 32.018 31.700 0.062 0.000 0.789 333 Q N -1.610 118.269 119.800 0.132 0.000 2.079 333 Q HA -0.180 4.156 4.340 -0.008 0.000 0.200 333 Q C 1.942 177.995 176.000 0.088 0.000 0.974 333 Q CA 1.687 57.542 55.803 0.087 0.000 0.840 333 Q CB -1.080 27.690 28.738 0.054 0.000 0.898 333 Q HN 0.232 nan 8.270 nan 0.000 0.430 334 Y N -0.976 119.337 120.300 0.021 0.000 2.165 334 Y HA -0.217 4.329 4.550 -0.008 0.000 0.286 334 Y C 2.218 178.134 175.900 0.026 0.000 1.155 334 Y CA 1.345 59.460 58.100 0.025 0.000 1.164 334 Y CB -0.436 38.040 38.460 0.027 0.000 0.978 334 Y HN -0.025 nan 8.280 nan 0.000 0.513 335 V N -0.424 119.605 119.914 0.192 0.000 2.261 335 V HA -0.335 3.781 4.120 -0.008 0.000 0.246 335 V C 2.507 178.647 176.094 0.076 0.000 1.047 335 V CA 1.800 64.168 62.300 0.113 0.000 1.015 335 V CB -1.402 30.471 31.823 0.084 0.000 0.642 335 V HN 0.454 nan 8.190 nan 0.000 0.446 336 A N -0.153 122.704 122.820 0.062 0.000 1.940 336 A HA -0.208 4.107 4.320 -0.008 0.000 0.219 336 A C 2.277 179.876 177.584 0.025 0.000 1.176 336 A CA 1.755 53.814 52.037 0.037 0.000 0.631 336 A CB -0.424 18.593 19.000 0.029 0.000 0.814 336 A HN 0.551 nan 8.150 nan 0.000 0.446 337 R N -0.847 119.663 120.500 0.016 0.000 2.334 337 R HA 0.147 4.483 4.340 -0.008 0.000 0.216 337 R C -0.467 175.839 176.300 0.011 0.000 0.905 337 R CA 0.312 56.408 56.100 -0.006 0.000 1.064 337 R CB 0.042 30.311 30.300 -0.052 0.000 1.046 337 R HN 0.596 nan 8.270 nan 0.000 0.508 338 E N 0.032 120.258 120.200 0.043 0.000 2.269 338 E HA -0.237 4.108 4.350 -0.008 0.000 0.223 338 E C 0.291 176.933 176.600 0.070 0.000 1.244 338 E CA 0.354 56.793 56.400 0.066 0.000 0.713 338 E CB -1.070 28.665 29.700 0.059 0.000 1.178 338 E HN 0.229 nan 8.360 nan 0.000 0.370 339 S N -0.561 115.174 115.700 0.059 0.000 2.399 339 S HA -0.052 4.413 4.470 -0.008 0.000 0.231 339 S C 0.995 175.675 174.600 0.133 0.000 1.022 339 S CA 0.766 58.982 58.200 0.026 0.000 0.983 339 S CB 0.168 63.262 63.200 -0.177 0.000 0.803 339 S HN 0.301 nan 8.310 nan 0.000 0.480 340 I N 0.693 121.384 120.570 0.201 0.000 2.406 340 I HA 0.382 4.547 4.170 -0.008 0.000 0.290 340 I C 0.102 176.321 176.117 0.171 0.000 0.999 340 I CA -0.213 61.209 61.300 0.204 0.000 1.124 340 I CB 2.171 40.296 38.000 0.209 0.000 1.289 340 I HN -0.042 nan 8.210 nan 0.000 0.441 341 T N 4.276 118.954 114.554 0.206 0.000 2.693 341 T HA 0.535 4.881 4.350 -0.008 0.000 0.278 341 T C -1.316 173.515 174.700 0.219 0.000 0.994 341 T CA -0.432 61.787 62.100 0.199 0.000 1.033 341 T CB 1.780 70.770 68.868 0.202 0.000 1.342 341 T HN 0.606 nan 8.240 nan 0.000 0.538 342 Q N -0.100 119.821 119.800 0.201 0.000 2.397 342 Q HA 0.639 4.974 4.340 -0.008 0.000 0.275 342 Q C -1.680 174.476 176.000 0.261 0.000 1.090 342 Q CA -0.865 54.990 55.803 0.087 0.000 0.809 342 Q CB 2.487 31.210 28.738 -0.024 0.000 1.362 342 Q HN 0.730 nan 8.270 nan 0.000 0.431 343 W N -0.323 120.976 121.300 -0.001 0.000 3.018 343 W HA 0.535 5.191 4.660 -0.007 0.000 0.352 343 W C -1.434 175.077 176.519 -0.013 0.000 1.230 343 W CA -0.893 56.445 57.345 -0.011 0.000 1.162 343 W CB 0.755 30.199 29.460 -0.027 0.000 1.483 343 W HN 0.219 nan 8.180 nan 0.000 0.584 344 Q N 2.154 122.064 119.800 0.183 0.000 2.257 344 Q HA 0.289 4.625 4.340 -0.008 0.000 0.255 344 Q C 0.561 176.644 176.000 0.139 0.000 0.920 344 Q CA -0.332 55.508 55.803 0.063 0.000 0.927 344 Q CB 1.595 30.377 28.738 0.073 0.000 1.229 344 Q HN 0.621 nan 8.270 nan 0.000 0.433 348 G N 0.842 109.652 108.800 0.017 0.000 2.157 348 G HA2 -0.287 3.669 3.960 -0.008 0.000 0.239 348 G HA3 -0.287 3.669 3.960 -0.008 0.000 0.239 348 G C 0.119 175.014 174.900 -0.007 0.000 0.982 348 G CA 0.003 45.109 45.100 0.011 0.000 0.650 348 G HN 0.494 nan 8.290 nan 0.000 0.527 349 R N 0.253 120.740 120.500 -0.022 0.000 2.500 349 R HA 0.539 4.874 4.340 -0.008 0.000 0.275 349 R C -0.061 176.181 176.300 -0.096 0.000 1.051 349 R CA -0.178 55.892 56.100 -0.049 0.000 1.088 349 R CB 0.686 30.957 30.300 -0.049 0.000 1.063 349 R HN 0.127 nan 8.270 nan 0.000 0.511 350 T N 1.431 115.916 114.554 -0.115 0.000 2.794 350 T HA 0.132 4.478 4.350 -0.008 0.000 0.296 350 T C -0.410 174.114 174.700 -0.292 0.000 0.949 350 T CA -0.111 61.881 62.100 -0.180 0.000 1.101 350 T CB 0.447 69.242 68.868 -0.122 0.000 0.905 350 T HN 0.484 nan 8.240 nan 0.000 0.516 351 C N 4.721 123.694 119.300 -0.544 0.000 2.456 351 C HA 0.726 5.182 4.460 -0.008 0.000 0.325 351 C C -0.205 174.221 174.990 -0.940 0.000 1.217 351 C CA -0.873 57.674 59.018 -0.786 0.000 1.687 351 C CB 0.637 27.703 27.740 -1.123 0.000 2.270 351 C HN 0.971 nan 8.230 nan 0.000 0.499 352 K N 3.129 123.165 120.400 -0.607 0.000 2.259 352 K HA 0.772 5.087 4.320 -0.008 0.000 0.252 352 K C -0.127 176.366 176.600 -0.178 0.000 0.936 352 K CA -0.019 56.058 56.287 -0.351 0.000 0.810 352 K CB 1.718 34.131 32.500 -0.144 0.000 1.143 352 K HN 1.109 nan 8.250 nan 0.000 0.427 353 G N 2.530 111.406 108.800 0.128 0.000 2.320 353 G HA2 0.200 4.156 3.960 -0.008 0.000 0.296 353 G HA3 0.200 4.156 3.960 -0.008 0.000 0.296 353 G C -3.212 171.918 174.900 0.384 0.000 1.306 353 G CA -0.991 44.310 45.100 0.335 0.000 0.836 353 G HN 0.376 nan 8.290 nan 0.000 0.517 354 P HA 0.124 nan 4.420 nan 0.000 0.267 354 P C 0.001 177.398 177.300 0.161 0.000 1.200 354 P CA -0.266 62.953 63.100 0.198 0.000 0.772 354 P CB 0.548 32.336 31.700 0.145 0.000 0.855 355 N N 2.007 120.782 118.700 0.124 0.000 2.294 355 N HA 0.102 4.838 4.740 -0.008 0.000 0.248 355 N C 0.474 176.013 175.510 0.047 0.000 1.300 355 N CA -0.244 52.853 53.050 0.078 0.000 0.925 355 N CB 0.130 38.664 38.487 0.078 0.000 1.188 355 N HN 0.135 nan 8.380 nan 0.000 0.512 359 K N 0.343 120.541 120.400 -0.336 0.000 2.268 359 K HA 0.491 4.807 4.320 -0.008 0.000 0.276 359 K C -0.754 175.655 176.600 -0.319 0.000 1.080 359 K CA -0.193 55.963 56.287 -0.218 0.000 0.910 359 K CB 0.345 32.777 32.500 -0.112 0.000 1.163 359 K HN 0.185 nan 8.250 nan 0.000 0.465 360 F N 2.393 122.262 119.950 -0.136 0.000 2.438 360 F HA 0.109 4.632 4.527 -0.006 0.000 0.356 360 F C 1.664 177.420 175.800 -0.074 0.000 1.099 360 F CA -0.396 57.521 58.000 -0.138 0.000 1.185 360 F CB 1.098 39.994 39.000 -0.175 0.000 1.115 360 F HN 0.452 nan 8.300 nan 0.000 0.526 361 K N 2.056 122.508 120.400 0.088 0.000 1.973 361 K HA -0.131 4.185 4.320 -0.008 0.000 0.210 361 K C 1.589 178.226 176.600 0.061 0.000 1.045 361 K CA 1.641 57.957 56.287 0.048 0.000 0.937 361 K CB -0.028 32.483 32.500 0.018 0.000 0.721 361 K HN 0.488 nan 8.250 nan 0.000 0.438 362 N N 0.427 119.165 118.700 0.063 0.000 2.250 362 N HA -0.063 4.672 4.740 -0.008 0.000 0.181 362 N C -0.252 175.285 175.510 0.045 0.000 1.017 362 N CA 1.033 54.109 53.050 0.042 0.000 0.866 362 N CB -0.098 38.405 38.487 0.027 0.000 0.985 362 N HN 0.258 nan 8.380 nan 0.000 0.429 363 N N 0.980 119.710 118.700 0.051 0.000 2.844 363 N HA 0.234 4.970 4.740 -0.008 0.000 0.268 363 N C -2.830 172.718 175.510 0.064 0.000 1.574 363 N CA -0.992 52.072 53.050 0.023 0.000 0.838 363 N CB 1.947 40.392 38.487 -0.070 0.000 1.177 363 N HN 0.124 nan 8.380 nan 0.000 0.495 364 P HA 0.090 nan 4.420 nan 0.000 0.271 364 P C 0.615 178.077 177.300 0.270 0.000 1.218 364 P CA 0.045 63.271 63.100 0.210 0.000 0.780 364 P CB 0.799 32.583 31.700 0.139 0.000 0.901 365 G N 1.942 110.950 108.800 0.347 0.000 2.634 365 G HA2 0.446 4.402 3.960 -0.008 0.000 0.255 365 G HA3 0.446 4.402 3.960 -0.008 0.000 0.255 365 G C -0.508 174.489 174.900 0.161 0.000 1.205 365 G CA -0.382 45.004 45.100 0.478 0.000 0.884 365 G HN 0.721 nan 8.290 nan 0.000 0.549 366 Q N -1.473 118.266 119.800 -0.101 0.000 2.482 366 Q HA 0.510 4.846 4.340 -0.008 0.000 0.286 366 Q C -1.457 174.421 176.000 -0.203 0.000 1.007 366 Q CA -0.988 54.651 55.803 -0.274 0.000 0.801 366 Q CB 1.588 30.024 28.738 -0.503 0.000 1.455 366 Q HN 0.403 nan 8.270 nan 0.000 0.398 367 I N 2.926 123.397 120.570 -0.164 0.000 2.301 367 I HA 0.166 4.331 4.170 -0.008 0.000 0.292 367 I C 0.491 176.544 176.117 -0.106 0.000 1.046 367 I CA -0.456 60.711 61.300 -0.222 0.000 1.282 367 I CB 0.237 38.022 38.000 -0.358 0.000 1.409 367 I HN 0.739 nan 8.210 nan 0.000 0.484 368 W N 6.084 127.275 121.300 -0.182 0.000 2.901 368 W HA 0.373 5.030 4.660 -0.005 0.000 0.281 368 W C 0.141 176.639 176.519 -0.035 0.000 1.167 368 W CA -0.271 57.010 57.345 -0.106 0.000 1.506 368 W CB 0.428 29.833 29.460 -0.091 0.000 0.985 368 W HN 0.321 nan 8.180 nan 0.000 0.590 369 R N 1.006 121.000 120.500 -0.844 0.000 2.604 369 R HA 0.419 4.755 4.340 -0.008 0.000 0.281 369 R C 0.332 176.348 176.300 -0.472 0.000 1.020 369 R CA -0.232 55.406 56.100 -0.769 0.000 0.899 369 R CB 2.052 31.445 30.300 -1.511 0.000 1.205 369 R HN 0.006 nan 8.270 nan 0.000 0.450 373 S N -0.265 115.468 115.700 0.055 0.000 2.624 373 S HA 0.277 4.742 4.470 -0.008 0.000 0.263 373 S C 0.320 174.909 174.600 -0.019 0.000 1.287 373 S CA -0.282 57.940 58.200 0.036 0.000 0.990 373 S CB 0.318 63.539 63.200 0.035 0.000 0.950 373 S HN 0.694 nan 8.310 nan 0.000 0.561 374 H N 1.148 120.130 119.070 -0.145 0.000 3.184 374 H HA 0.416 4.968 4.556 -0.008 0.000 0.274 374 H C 1.142 176.362 175.328 -0.180 0.000 0.962 374 H CA 1.398 57.316 56.048 -0.217 0.000 1.441 374 H CB -0.978 28.698 29.762 -0.144 0.000 1.518 374 H HN 1.225 nan 8.280 nan 0.000 0.539 378 T N 0.984 115.511 114.554 -0.046 0.000 2.635 378 T HA -0.189 4.156 4.350 -0.008 0.000 0.267 378 T C 2.098 176.761 174.700 -0.061 0.000 1.040 378 T CA 2.088 64.143 62.100 -0.075 0.000 1.156 378 T CB 0.005 68.802 68.868 -0.118 0.000 0.863 378 T HN 0.323 nan 8.240 nan 0.000 0.430 379 A N 1.332 124.124 122.820 -0.047 0.000 1.877 379 A HA 0.152 4.468 4.320 -0.008 0.000 0.216 379 A C 2.663 180.242 177.584 -0.007 0.000 1.186 379 A CA 1.945 53.963 52.037 -0.032 0.000 0.620 379 A CB -1.182 17.804 19.000 -0.024 0.000 0.822 379 A HN 0.521 nan 8.150 nan 0.000 0.443 380 A N -0.184 122.640 122.820 0.006 0.000 1.902 380 A HA -0.086 4.230 4.320 -0.008 0.000 0.217 380 A C 2.132 179.722 177.584 0.011 0.000 1.181 380 A CA 1.578 53.626 52.037 0.019 0.000 0.623 380 A CB -0.605 18.419 19.000 0.040 0.000 0.818 380 A HN 0.507 nan 8.150 nan 0.000 0.443 381 I N -0.474 120.096 120.570 -0.000 0.000 2.202 381 I HA -0.235 3.931 4.170 -0.008 0.000 0.242 381 I C 2.350 178.470 176.117 0.005 0.000 1.091 381 I CA 1.070 62.363 61.300 -0.012 0.000 1.368 381 I CB -0.304 37.682 38.000 -0.024 0.000 1.058 381 I HN 0.277 nan 8.210 nan 0.000 0.410 382 L N 0.458 121.676 121.223 -0.008 0.000 2.093 382 L HA -0.215 4.121 4.340 -0.008 0.000 0.208 382 L C 2.630 179.589 176.870 0.149 0.000 1.085 382 L CA 1.250 56.107 54.840 0.028 0.000 0.755 382 L CB -0.587 41.391 42.059 -0.135 0.000 0.904 382 L HN 0.229 nan 8.230 nan 0.000 0.435 383 K N 0.706 121.153 120.400 0.079 0.000 2.009 383 K HA -0.218 4.097 4.320 -0.008 0.000 0.210 383 K C 1.804 178.436 176.600 0.054 0.000 1.049 383 K CA 1.880 58.209 56.287 0.070 0.000 0.929 383 K CB -0.152 32.370 32.500 0.037 0.000 0.714 383 K HN 0.419 nan 8.250 nan 0.000 0.440 384 N N 0.704 119.426 118.700 0.035 0.000 2.149 384 N HA -0.165 4.571 4.740 -0.008 0.000 0.188 384 N C 1.676 177.196 175.510 0.017 0.000 1.019 384 N CA 1.462 54.521 53.050 0.014 0.000 0.857 384 N CB -0.220 38.264 38.487 -0.005 0.000 0.997 384 N HN 0.394 nan 8.380 nan 0.000 0.426 385 I N -3.483 117.118 120.570 0.053 0.000 3.806 385 I HA 0.384 4.549 4.170 -0.008 0.000 0.321 385 I C 0.784 176.908 176.117 0.013 0.000 1.315 385 I CA -0.028 61.302 61.300 0.048 0.000 1.148 385 I CB 0.222 38.270 38.000 0.081 0.000 1.028 385 I HN -0.020 nan 8.210 nan 0.000 0.415 386 G N 0.518 109.319 108.800 0.001 0.000 2.134 386 G HA2 -0.267 3.689 3.960 -0.008 0.000 0.209 386 G HA3 -0.267 3.689 3.960 -0.008 0.000 0.209 386 G C -0.300 174.495 174.900 -0.176 0.000 0.993 386 G CA -0.454 44.587 45.100 -0.098 0.000 0.669 386 G HN 0.450 nan 8.290 nan 0.000 0.519 387 Y N 2.234 122.520 120.300 -0.024 0.000 2.313 387 Y HA 0.516 5.062 4.550 -0.007 0.000 0.332 387 Y C 1.335 177.223 175.900 -0.020 0.000 1.071 387 Y CA 0.127 58.213 58.100 -0.022 0.000 1.169 387 Y CB 1.300 39.745 38.460 -0.026 0.000 1.192 387 Y HN 0.373 nan 8.280 nan 0.000 0.487 388 S N 1.278 117.041 115.700 0.104 0.000 2.614 388 S HA 0.108 4.573 4.470 -0.008 0.000 0.265 388 S C 0.899 175.541 174.600 0.071 0.000 1.303 388 S CA -0.675 57.562 58.200 0.061 0.000 1.000 388 S CB 0.934 64.150 63.200 0.028 0.000 0.935 388 S HN 0.798 nan 8.310 nan 0.000 0.551 389 E N 0.931 121.154 120.200 0.039 0.000 2.160 389 E HA -0.239 4.107 4.350 -0.008 0.000 0.195 389 E C 1.789 178.402 176.600 0.022 0.000 0.991 389 E CA 1.473 57.888 56.400 0.024 0.000 0.810 389 E CB -0.395 29.313 29.700 0.012 0.000 0.742 389 E HN 0.774 nan 8.360 nan 0.000 0.466 390 N N 0.531 119.246 118.700 0.026 0.000 2.084 390 N HA -0.157 4.578 4.740 -0.008 0.000 0.190 390 N C 1.490 177.020 175.510 0.034 0.000 1.030 390 N CA 1.427 54.490 53.050 0.022 0.000 0.849 390 N CB 0.168 38.666 38.487 0.019 0.000 1.012 390 N HN 0.060 nan 8.380 nan 0.000 0.423 391 D N 0.427 120.869 120.400 0.071 0.000 2.123 391 D HA -0.151 4.485 4.640 -0.008 0.000 0.196 391 D C 1.927 178.257 176.300 0.050 0.000 0.992 391 D CA 0.951 55.021 54.000 0.117 0.000 0.833 391 D CB -0.238 40.742 40.800 0.300 0.000 0.954 391 D HN 0.424 nan 8.370 nan 0.000 0.455 392 I N 0.785 121.370 120.570 0.026 0.000 2.252 392 I HA -0.267 3.898 4.170 -0.008 0.000 0.245 392 I C 2.518 178.605 176.117 -0.050 0.000 1.102 392 I CA 1.012 62.284 61.300 -0.046 0.000 1.385 392 I CB -0.257 37.723 38.000 -0.034 0.000 1.064 392 I HN -0.067 nan 8.210 nan 0.000 0.414 393 Q N 0.395 120.179 119.800 -0.027 0.000 2.096 393 Q HA -0.284 4.052 4.340 -0.008 0.000 0.204 393 Q C 2.162 178.142 176.000 -0.032 0.000 0.982 393 Q CA 1.869 57.654 55.803 -0.030 0.000 0.850 393 Q CB -0.194 28.533 28.738 -0.018 0.000 0.901 393 Q HN 0.495 nan 8.270 nan 0.000 0.422 394 E N 0.663 120.850 120.200 -0.020 0.000 2.077 394 E HA -0.193 4.152 4.350 -0.008 0.000 0.193 394 E C 1.920 178.498 176.600 -0.036 0.000 0.989 394 E CA 0.690 57.079 56.400 -0.018 0.000 0.800 394 E CB -0.009 29.692 29.700 0.003 0.000 0.746 394 E HN 0.317 nan 8.360 nan 0.000 0.452 395 L N 0.228 121.418 121.223 -0.055 0.000 2.046 395 L HA -0.189 4.146 4.340 -0.008 0.000 0.208 395 L C 2.517 179.335 176.870 -0.087 0.000 1.077 395 L CA 0.805 55.594 54.840 -0.085 0.000 0.747 395 L CB -0.267 41.706 42.059 -0.142 0.000 0.896 395 L HN 0.118 nan 8.230 nan 0.000 0.432 396 V N -1.177 118.685 119.914 -0.086 0.000 2.295 396 V HA -0.279 3.837 4.120 -0.008 0.000 0.246 396 V C 2.551 178.600 176.094 -0.075 0.000 1.049 396 V CA 2.032 64.279 62.300 -0.089 0.000 1.024 396 V CB -0.460 31.312 31.823 -0.086 0.000 0.648 396 V HN 0.371 nan 8.190 nan 0.000 0.447 397 S N -0.503 115.162 115.700 -0.058 0.000 2.370 397 S HA -0.222 4.243 4.470 -0.008 0.000 0.226 397 S C 1.865 176.436 174.600 -0.047 0.000 1.033 397 S CA 1.480 59.651 58.200 -0.048 0.000 1.011 397 S CB -0.308 62.871 63.200 -0.035 0.000 0.852 397 S HN 0.579 nan 8.310 nan 0.000 0.457 398 K N 0.319 120.691 120.400 -0.047 0.000 2.555 398 K HA 0.095 4.411 4.320 -0.008 0.000 0.193 398 K C 1.220 177.788 176.600 -0.052 0.000 1.032 398 K CA 0.473 56.734 56.287 -0.042 0.000 1.004 398 K CB -0.149 32.329 32.500 -0.035 0.000 0.804 398 K HN 0.463 nan 8.250 nan 0.000 0.496 399 G N 1.328 110.087 108.800 -0.068 0.000 2.160 399 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.251 399 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.251 399 G C 0.508 175.357 174.900 -0.084 0.000 1.008 399 G CA 0.085 45.136 45.100 -0.083 0.000 0.724 399 G HN 0.291 nan 8.290 nan 0.000 0.514 400 L N -0.628 120.545 121.223 -0.084 0.000 2.585 400 L HA 0.630 4.965 4.340 -0.008 0.000 0.226 400 L C 1.293 178.094 176.870 -0.114 0.000 1.113 400 L CA 0.797 55.586 54.840 -0.087 0.000 0.876 400 L CB 0.197 42.210 42.059 -0.076 0.000 1.072 400 L HN 0.599 nan 8.230 nan 0.000 0.468 401 A N -0.008 122.736 122.820 -0.127 0.000 2.606 401 A HA 0.639 4.954 4.320 -0.008 0.000 0.293 401 A C -1.306 176.178 177.584 -0.166 0.000 1.082 401 A CA -0.574 51.372 52.037 -0.152 0.000 0.685 401 A CB 1.928 20.829 19.000 -0.164 0.000 1.284 401 A HN -0.065 nan 8.150 nan 0.000 0.408 402 K N 1.096 121.374 120.400 -0.204 0.000 2.443 402 K HA 0.641 4.957 4.320 -0.008 0.000 0.252 402 K C -0.436 176.029 176.600 -0.225 0.000 0.933 402 K CA -0.519 55.623 56.287 -0.242 0.000 0.792 402 K CB 1.898 34.173 32.500 -0.376 0.000 1.185 402 K HN 0.959 nan 8.250 nan 0.000 0.425 403 V N 0.008 119.817 119.914 -0.175 0.000 3.553 403 V HA 0.454 4.569 4.120 -0.008 0.000 0.287 403 V C 0.367 176.380 176.094 -0.135 0.000 1.111 403 V CA -0.720 61.498 62.300 -0.137 0.000 0.950 403 V CB 0.688 32.455 31.823 -0.094 0.000 1.243 403 V HN 0.933 nan 8.190 nan 0.000 0.443 404 E N 0.460 120.607 120.200 -0.089 0.000 2.437 404 E HA 0.007 4.352 4.350 -0.008 0.000 0.263 404 E C -0.213 176.347 176.600 -0.066 0.000 1.030 404 E CA -0.112 56.247 56.400 -0.068 0.000 0.934 404 E CB 0.256 29.936 29.700 -0.034 0.000 0.943 404 E HN 0.780 nan 8.360 nan 0.000 0.444 405 D N 0.000 120.369 120.400 -0.051 0.000 6.856 405 D HA 0.000 4.635 4.640 -0.008 0.000 0.175 405 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 405 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683