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 2vhw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVGIPTETK NNEFRVAITP AGVAELTRRG HEVLIQAGAG EGSAITDADF DATA SEQUENCE KAAGAQLVGT ADQVWADADL LLKVKEPIAA EYGRLRHGQI LFTFLHLAAS DATA SEQUENCE RACTDALLDS GTTSIAYETV QTADGALPLL APMSEVAGRL AAQVGAYHLM DATA SEQUENCE RTQGGRGVLM GGVPGVEPAD VVVIGAGTAG YNAARIANGM GATVTVLDIN DATA SEQUENCE IDKLRQLDAE FCGRIHTRYS SAYELEGAVK RADLVIGAVL VPGAKAPKLV DATA SEQUENCE SNSLVAHMKP GAVLVDIAID QGGCFEGSRP TTYDHPTFAV HDTLFYCVAN DATA SEQUENCE MPASVPKTST YALTNATMPY VLELADHGWR AACRSNPALA KGLSTHEGAL DATA SEQUENCE LSERVATDLG VPFTEPASVL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.359 176.300 0.099 0.000 1.140 1 M CA 0.000 55.385 55.300 0.141 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 R N 1.108 121.629 120.500 0.034 0.000 2.202 2 R HA 0.662 5.002 4.340 -0.000 0.000 0.334 2 R C -1.264 175.017 176.300 -0.031 0.000 1.036 2 R CA -0.654 55.451 56.100 0.008 0.000 0.878 2 R CB 1.368 31.671 30.300 0.004 0.000 1.067 2 R HN 0.479 nan 8.270 nan 0.000 0.457 3 V N 2.623 122.509 119.914 -0.045 0.000 2.370 3 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 3 V C 0.614 176.647 176.094 -0.101 0.000 1.029 3 V CA -0.723 61.529 62.300 -0.079 0.000 0.870 3 V CB 1.665 33.437 31.823 -0.085 0.000 0.984 3 V HN 0.920 nan 8.190 nan 0.000 0.451 4 G N 4.341 113.059 108.800 -0.137 0.000 2.461 4 G HA2 0.757 4.717 3.960 -0.000 0.000 0.323 4 G HA3 0.757 4.717 3.960 -0.000 0.000 0.323 4 G C -1.279 173.483 174.900 -0.229 0.000 1.229 4 G CA -0.478 44.513 45.100 -0.182 0.000 0.941 4 G HN 0.547 nan 8.290 nan 0.000 0.477 5 I N 3.661 124.095 120.570 -0.227 0.000 2.468 5 I HA 0.354 4.524 4.170 -0.000 0.000 0.284 5 I C -2.282 173.720 176.117 -0.193 0.000 1.038 5 I CA -1.875 59.294 61.300 -0.219 0.000 1.083 5 I CB 2.854 40.725 38.000 -0.214 0.000 1.223 5 I HN 0.271 nan 8.210 nan 0.000 0.443 6 P HA 0.366 nan 4.420 nan 0.000 0.283 6 P C -0.510 176.792 177.300 0.005 0.000 1.278 6 P CA -0.548 62.508 63.100 -0.074 0.000 0.834 6 P CB 0.677 32.347 31.700 -0.051 0.000 1.150 7 T N 1.360 115.951 114.554 0.061 0.000 2.930 7 T HA 0.092 4.442 4.350 -0.000 0.000 0.306 7 T C 0.383 175.144 174.700 0.102 0.000 1.045 7 T CA -0.125 62.028 62.100 0.088 0.000 1.134 7 T CB -0.104 68.822 68.868 0.097 0.000 0.961 7 T HN 0.301 nan 8.240 nan 0.000 0.545 8 E N 2.168 122.429 120.200 0.102 0.000 2.384 8 E HA 0.095 4.445 4.350 -0.000 0.000 0.266 8 E C 1.171 177.818 176.600 0.079 0.000 1.012 8 E CA 0.114 56.572 56.400 0.096 0.000 0.901 8 E CB 0.947 30.702 29.700 0.093 0.000 0.967 8 E HN 0.842 nan 8.360 nan 0.000 0.435 9 T N -0.903 113.691 114.554 0.067 0.000 2.985 9 T HA 0.153 4.503 4.350 -0.000 0.000 0.254 9 T C 0.660 175.364 174.700 0.007 0.000 1.021 9 T CA -0.250 61.875 62.100 0.042 0.000 0.957 9 T CB 0.497 69.391 68.868 0.042 0.000 1.047 9 T HN 0.074 nan 8.240 nan 0.000 0.511 10 K N 2.594 122.996 120.400 0.002 0.000 2.326 10 K HA 0.232 4.552 4.320 -0.000 0.000 0.275 10 K C 0.010 176.572 176.600 -0.062 0.000 1.018 10 K CA -0.384 55.891 56.287 -0.021 0.000 0.962 10 K CB 0.441 32.938 32.500 -0.005 0.000 0.953 10 K HN 0.179 nan 8.250 nan 0.000 0.475 11 N N 1.994 120.658 118.700 -0.061 0.000 2.294 11 N HA -0.152 4.587 4.740 -0.000 0.000 0.263 11 N C -0.325 175.092 175.510 -0.155 0.000 1.281 11 N CA 1.016 54.016 53.050 -0.084 0.000 0.846 11 N CB -0.036 38.423 38.487 -0.046 0.000 1.061 11 N HN 0.641 nan 8.380 nan 0.000 0.478 12 N N -0.553 117.963 118.700 -0.307 0.000 2.778 12 N HA -0.278 4.462 4.740 -0.000 0.000 0.249 12 N C -1.317 173.691 175.510 -0.836 0.000 1.069 12 N CA 0.922 53.574 53.050 -0.664 0.000 0.831 12 N CB -0.633 37.702 38.487 -0.254 0.000 1.142 12 N HN 0.654 nan 8.380 nan 0.000 0.573 13 E N 0.135 120.047 120.200 -0.480 0.000 2.052 13 E HA 0.222 4.572 4.350 -0.000 0.000 0.283 13 E C -0.115 176.369 176.600 -0.193 0.000 1.071 13 E CA 0.140 56.389 56.400 -0.252 0.000 0.851 13 E CB -0.117 29.546 29.700 -0.061 0.000 1.066 13 E HN 0.336 nan 8.360 nan 0.000 0.396 14 F N 2.741 122.721 119.950 0.050 0.000 2.721 14 F HA 0.272 4.799 4.527 0.000 0.000 0.301 14 F C 1.187 177.024 175.800 0.061 0.000 1.096 14 F CA -0.558 57.466 58.000 0.040 0.000 1.308 14 F CB 0.488 39.492 39.000 0.006 0.000 1.086 14 F HN 0.135 nan 8.300 nan 0.000 0.587 15 R N 0.347 120.987 120.500 0.234 0.000 2.649 15 R HA 0.443 4.782 4.340 -0.000 0.000 0.270 15 R C -0.740 175.658 176.300 0.163 0.000 1.105 15 R CA -0.295 55.917 56.100 0.186 0.000 1.193 15 R CB 1.410 31.811 30.300 0.168 0.000 1.120 15 R HN -0.089 nan 8.270 nan 0.000 0.561 16 V N -0.149 119.850 119.914 0.143 0.000 2.925 16 V HA 0.470 4.590 4.120 -0.000 0.000 0.311 16 V C -0.348 175.798 176.094 0.087 0.000 1.104 16 V CA -0.365 62.011 62.300 0.128 0.000 0.954 16 V CB 2.086 34.021 31.823 0.186 0.000 1.022 16 V HN 0.883 nan 8.190 nan 0.000 0.427 17 A N 5.764 128.616 122.820 0.054 0.000 2.302 17 A HA 0.542 4.862 4.320 -0.000 0.000 0.219 17 A C 0.291 177.868 177.584 -0.011 0.000 1.243 17 A CA 0.420 52.474 52.037 0.028 0.000 0.856 17 A CB -0.480 18.538 19.000 0.031 0.000 0.893 17 A HN 0.803 nan 8.150 nan 0.000 0.491 18 I N -0.933 119.637 120.570 -0.001 0.000 2.918 18 I HA 0.359 4.529 4.170 -0.000 0.000 0.301 18 I C -0.281 175.894 176.117 0.096 0.000 1.312 18 I CA -0.500 60.797 61.300 -0.005 0.000 1.007 18 I CB 2.420 40.386 38.000 -0.057 0.000 1.281 18 I HN 0.175 nan 8.210 nan 0.000 0.440 19 T N 1.697 116.256 114.554 0.009 0.000 2.948 19 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 19 T C -2.325 172.492 174.700 0.196 0.000 1.019 19 T CA -1.802 60.282 62.100 -0.027 0.000 1.013 19 T CB 1.717 70.276 68.868 -0.514 0.000 1.117 19 T HN 0.293 nan 8.240 nan 0.000 0.533 20 P HA -0.083 nan 4.420 nan 0.000 0.216 20 P C 1.709 179.082 177.300 0.121 0.000 1.150 20 P CA 1.713 64.924 63.100 0.185 0.000 0.843 20 P CB -0.358 31.382 31.700 0.066 0.000 0.787 21 A N -0.055 122.816 122.820 0.085 0.000 1.884 21 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 21 A C 2.532 180.148 177.584 0.054 0.000 1.197 21 A CA 2.444 54.523 52.037 0.069 0.000 0.637 21 A CB -1.949 17.097 19.000 0.077 0.000 0.827 21 A HN 0.303 nan 8.150 nan 0.000 0.450 22 G N -1.006 107.818 108.800 0.040 0.000 2.408 22 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 22 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 22 G C 1.494 176.419 174.900 0.041 0.000 1.150 22 G CA 1.143 46.261 45.100 0.030 0.000 0.776 22 G HN 0.348 nan 8.290 nan 0.000 0.542 23 V N 1.570 121.522 119.914 0.063 0.000 2.343 23 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 23 V C 3.313 179.443 176.094 0.059 0.000 1.051 23 V CA 2.033 64.367 62.300 0.057 0.000 1.036 23 V CB -0.828 31.056 31.823 0.103 0.000 0.654 23 V HN 0.468 nan 8.190 nan 0.000 0.451 24 A N -0.121 122.739 122.820 0.067 0.000 1.933 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 24 A C 2.206 179.815 177.584 0.043 0.000 1.175 24 A CA 2.015 54.084 52.037 0.053 0.000 0.628 24 A CB -0.440 18.591 19.000 0.053 0.000 0.814 24 A HN 0.553 nan 8.150 nan 0.000 0.444 25 E N 0.150 120.376 120.200 0.044 0.000 2.072 25 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 25 E C 1.835 178.470 176.600 0.060 0.000 0.982 25 E CA 1.036 57.461 56.400 0.042 0.000 0.803 25 E CB -0.419 29.303 29.700 0.037 0.000 0.755 25 E HN 0.558 nan 8.360 nan 0.000 0.453 26 L N -0.012 121.255 121.223 0.074 0.000 2.046 26 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 26 L C 2.500 179.445 176.870 0.125 0.000 1.077 26 L CA 1.742 56.665 54.840 0.139 0.000 0.747 26 L CB -0.659 41.456 42.059 0.093 0.000 0.896 26 L HN 0.206 nan 8.230 nan 0.000 0.432 27 T N -1.020 113.573 114.554 0.065 0.000 2.720 27 T HA -0.239 4.110 4.350 -0.000 0.000 0.268 27 T C 2.044 176.744 174.700 -0.001 0.000 1.037 27 T CA 1.201 63.320 62.100 0.030 0.000 1.144 27 T CB -0.199 68.686 68.868 0.029 0.000 0.864 27 T HN 0.221 nan 8.240 nan 0.000 0.444 28 R N 0.735 121.239 120.500 0.007 0.000 2.193 28 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 28 R C 1.756 178.032 176.300 -0.040 0.000 1.110 28 R CA 1.012 57.106 56.100 -0.010 0.000 0.988 28 R CB 0.026 30.327 30.300 0.003 0.000 0.871 28 R HN 0.322 nan 8.270 nan 0.000 0.458 29 R N -1.143 119.325 120.500 -0.053 0.000 2.359 29 R HA 0.117 4.457 4.340 -0.000 0.000 0.231 29 R C 0.738 176.836 176.300 -0.336 0.000 0.913 29 R CA 0.525 56.547 56.100 -0.130 0.000 1.075 29 R CB 0.779 31.053 30.300 -0.042 0.000 1.087 29 R HN 0.373 nan 8.270 nan 0.000 0.515 30 G N 1.057 109.700 108.800 -0.262 0.000 2.141 30 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 30 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 30 G C -0.143 174.558 174.900 -0.332 0.000 0.982 30 G CA -0.332 44.601 45.100 -0.277 0.000 0.662 30 G HN 0.381 nan 8.290 nan 0.000 0.527 31 H N 0.855 119.908 119.070 -0.028 0.000 2.511 31 H HA 0.429 4.985 4.556 -0.000 0.000 0.346 31 H C 0.265 175.578 175.328 -0.025 0.000 1.128 31 H CA -0.072 55.959 56.048 -0.029 0.000 1.342 31 H CB 0.888 30.630 29.762 -0.033 0.000 1.470 31 H HN 0.470 nan 8.280 nan 0.000 0.546 32 E N 1.621 121.881 120.200 0.099 0.000 2.200 32 E HA 0.291 4.641 4.350 -0.000 0.000 0.283 32 E C -0.607 176.007 176.600 0.024 0.000 1.015 32 E CA -0.649 55.775 56.400 0.041 0.000 0.819 32 E CB 1.783 31.497 29.700 0.023 0.000 1.081 32 E HN 0.174 nan 8.360 nan 0.000 0.397 33 V N 5.271 125.185 119.914 -0.001 0.000 2.347 33 V HA 0.245 4.365 4.120 -0.000 0.000 0.280 33 V C -0.272 175.781 176.094 -0.068 0.000 1.021 33 V CA -0.635 61.639 62.300 -0.043 0.000 0.847 33 V CB 0.604 32.396 31.823 -0.052 0.000 0.990 33 V HN 0.509 nan 8.190 nan 0.000 0.444 34 L N 6.799 127.971 121.223 -0.085 0.000 2.272 34 L HA 0.631 4.971 4.340 -0.000 0.000 0.289 34 L C -0.432 176.353 176.870 -0.143 0.000 1.032 34 L CA -0.042 54.745 54.840 -0.089 0.000 0.810 34 L CB 1.242 43.263 42.059 -0.063 0.000 1.205 34 L HN 0.452 nan 8.230 nan 0.000 0.422 35 I N 2.540 123.016 120.570 -0.158 0.000 2.498 35 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 35 I C -0.097 175.955 176.117 -0.108 0.000 1.032 35 I CA -0.661 60.508 61.300 -0.218 0.000 1.073 35 I CB 2.077 39.809 38.000 -0.446 0.000 1.251 35 I HN 0.643 nan 8.210 nan 0.000 0.426 36 Q N 3.806 123.563 119.800 -0.073 0.000 2.330 36 Q HA 0.303 4.643 4.340 -0.000 0.000 0.279 36 Q C -0.005 176.011 176.000 0.026 0.000 1.024 36 Q CA -0.405 55.396 55.803 -0.003 0.000 0.900 36 Q CB 1.095 29.848 28.738 0.025 0.000 1.221 36 Q HN 0.780 nan 8.270 nan 0.000 0.396 37 A N 2.868 125.716 122.820 0.046 0.000 2.524 37 A HA 0.417 4.736 4.320 -0.000 0.000 0.250 37 A C 1.095 178.731 177.584 0.086 0.000 1.078 37 A CA 0.620 52.700 52.037 0.071 0.000 0.761 37 A CB -0.443 18.593 19.000 0.058 0.000 1.012 37 A HN 1.215 nan 8.150 nan 0.000 0.500 38 G N 0.937 109.806 108.800 0.115 0.000 2.176 38 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.253 38 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.253 38 G C 1.177 176.162 174.900 0.141 0.000 0.979 38 G CA 1.015 46.182 45.100 0.113 0.000 0.641 38 G HN 1.940 nan 8.290 nan 0.000 0.530 39 A N 0.207 123.126 122.820 0.165 0.000 1.940 39 A HA 0.331 4.651 4.320 -0.000 0.000 0.219 39 A C 2.559 180.288 177.584 0.241 0.000 1.176 39 A CA 2.349 54.488 52.037 0.169 0.000 0.631 39 A CB -0.630 18.430 19.000 0.100 0.000 0.814 39 A HN 1.624 nan 8.150 nan 0.000 0.446 40 G N -1.337 107.677 108.800 0.357 0.000 3.088 40 G HA2 0.148 4.108 3.960 -0.000 0.000 0.217 40 G HA3 0.148 4.108 3.960 -0.000 0.000 0.217 40 G C 1.090 176.047 174.900 0.094 0.000 1.159 40 G CA 0.501 45.765 45.100 0.272 0.000 0.760 40 G HN 0.612 nan 8.290 nan 0.000 0.550 41 E N 0.405 120.660 120.200 0.091 0.000 2.153 41 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 41 E C 2.590 179.190 176.600 -0.000 0.000 0.988 41 E CA 0.701 57.120 56.400 0.031 0.000 0.811 41 E CB -0.056 29.666 29.700 0.036 0.000 0.746 41 E HN 0.380 nan 8.360 nan 0.000 0.466 42 G N 0.052 108.876 108.800 0.041 0.000 2.534 42 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 42 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 42 G C 1.290 176.180 174.900 -0.017 0.000 1.128 42 G CA 0.408 45.496 45.100 -0.021 0.000 0.784 42 G HN 0.106 nan 8.290 nan 0.000 0.542 43 S N -0.022 115.707 115.700 0.048 0.000 2.575 43 S HA 0.508 4.978 4.470 -0.000 0.000 0.237 43 S C 1.292 175.918 174.600 0.043 0.000 0.975 43 S CA 0.420 58.663 58.200 0.071 0.000 0.960 43 S CB 0.479 63.758 63.200 0.133 0.000 0.822 43 S HN 1.221 nan 8.310 nan 0.000 0.472 44 A N 0.997 123.808 122.820 -0.016 0.000 2.847 44 A HA -0.198 4.122 4.320 -0.000 0.000 0.263 44 A C 0.164 177.715 177.584 -0.056 0.000 1.391 44 A CA 0.637 52.651 52.037 -0.039 0.000 0.866 44 A CB -2.384 16.590 19.000 -0.043 0.000 1.057 44 A HN 0.546 nan 8.150 nan 0.000 0.673 45 I N 2.155 122.671 120.570 -0.090 0.000 2.307 45 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 45 I C 1.192 177.163 176.117 -0.242 0.000 1.054 45 I CA 0.274 61.418 61.300 -0.259 0.000 1.218 45 I CB 1.196 38.871 38.000 -0.542 0.000 1.398 45 I HN 0.474 nan 8.210 nan 0.000 0.475 46 T N 0.108 114.559 114.554 -0.172 0.000 2.802 46 T HA 0.058 4.408 4.350 -0.000 0.000 0.305 46 T C 0.849 175.498 174.700 -0.084 0.000 1.053 46 T CA -0.443 61.604 62.100 -0.089 0.000 1.058 46 T CB 1.044 69.879 68.868 -0.055 0.000 0.988 46 T HN 0.439 nan 8.240 nan 0.000 0.539 47 D N 1.147 121.571 120.400 0.039 0.000 2.178 47 D HA -0.002 4.637 4.640 -0.000 0.000 0.201 47 D C 2.315 178.684 176.300 0.114 0.000 0.980 47 D CA 1.584 55.670 54.000 0.143 0.000 0.842 47 D CB -0.725 40.147 40.800 0.120 0.000 0.948 47 D HN 0.755 nan 8.370 nan 0.000 0.472 48 A N 0.991 123.838 122.820 0.045 0.000 1.902 48 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 48 A C 1.779 179.378 177.584 0.026 0.000 1.181 48 A CA 1.612 53.670 52.037 0.035 0.000 0.623 48 A CB -0.372 18.637 19.000 0.015 0.000 0.818 48 A HN 0.035 nan 8.150 nan 0.000 0.443 49 D N -0.479 119.903 120.400 -0.030 0.000 2.092 49 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 49 D C 1.696 177.993 176.300 -0.005 0.000 0.994 49 D CA 1.268 55.225 54.000 -0.071 0.000 0.828 49 D CB -0.595 40.089 40.800 -0.193 0.000 0.963 49 D HN 0.586 nan 8.370 nan 0.000 0.450 50 F N 0.982 120.944 119.950 0.021 0.000 2.095 50 F HA -0.183 4.344 4.527 0.000 0.000 0.298 50 F C 2.542 178.349 175.800 0.013 0.000 1.104 50 F CA 0.884 58.892 58.000 0.014 0.000 1.232 50 F CB -0.017 38.990 39.000 0.011 0.000 0.987 50 F HN -0.102 nan 8.300 nan 0.000 0.475 51 K N 0.695 121.222 120.400 0.212 0.000 2.026 51 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 51 K C 2.194 178.846 176.600 0.087 0.000 1.048 51 K CA 1.235 57.594 56.287 0.119 0.000 0.929 51 K CB -0.322 32.230 32.500 0.087 0.000 0.713 51 K HN 0.201 nan 8.250 nan 0.000 0.439 52 A N 0.802 123.667 122.820 0.076 0.000 2.024 52 A HA -0.116 4.203 4.320 -0.000 0.000 0.220 52 A C 2.189 179.809 177.584 0.059 0.000 1.164 52 A CA 1.859 53.929 52.037 0.054 0.000 0.643 52 A CB -0.610 18.413 19.000 0.039 0.000 0.806 52 A HN 0.491 nan 8.150 nan 0.000 0.451 53 A N -2.186 120.686 122.820 0.086 0.000 2.067 53 A HA 0.390 4.710 4.320 -0.000 0.000 0.217 53 A C 1.761 179.388 177.584 0.070 0.000 1.156 53 A CA 1.551 53.640 52.037 0.086 0.000 0.683 53 A CB -0.492 18.583 19.000 0.126 0.000 0.808 53 A HN 1.771 nan 8.150 nan 0.000 0.455 54 G N -2.803 106.038 108.800 0.068 0.000 2.234 54 G HA2 0.273 4.233 3.960 -0.000 0.000 0.153 54 G HA3 0.273 4.233 3.960 -0.000 0.000 0.153 54 G C 0.263 175.184 174.900 0.034 0.000 1.013 54 G CA 0.031 45.158 45.100 0.044 0.000 0.712 54 G HN 1.300 nan 8.290 nan 0.000 0.491 55 A N 0.370 123.215 122.820 0.043 0.000 2.371 55 A HA 0.661 4.981 4.320 -0.000 0.000 0.257 55 A C 0.519 178.107 177.584 0.007 0.000 1.089 55 A CA 0.056 52.094 52.037 0.002 0.000 0.794 55 A CB 0.288 19.265 19.000 -0.037 0.000 1.029 55 A HN 0.492 nan 8.150 nan 0.000 0.488 56 Q N 1.741 121.533 119.800 -0.013 0.000 2.274 56 Q HA 0.428 4.768 4.340 -0.000 0.000 0.256 56 Q C -1.135 174.856 176.000 -0.014 0.000 0.927 56 Q CA -0.601 55.200 55.803 -0.004 0.000 0.939 56 Q CB 1.363 30.099 28.738 -0.004 0.000 1.201 56 Q HN 0.473 nan 8.270 nan 0.000 0.426 57 L N 3.887 125.115 121.223 0.008 0.000 2.264 57 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 57 L C 0.076 176.955 176.870 0.014 0.000 1.044 57 L CA -0.511 54.336 54.840 0.012 0.000 0.807 57 L CB 1.008 43.094 42.059 0.045 0.000 1.192 57 L HN 0.503 nan 8.230 nan 0.000 0.425 58 V N 0.087 120.005 119.914 0.007 0.000 2.667 58 V HA 0.754 4.874 4.120 -0.000 0.000 0.308 58 V C 0.984 177.094 176.094 0.027 0.000 1.048 58 V CA -0.395 61.915 62.300 0.016 0.000 0.928 58 V CB 1.409 33.239 31.823 0.012 0.000 1.004 58 V HN 0.767 nan 8.190 nan 0.000 0.444 59 G N 2.345 111.164 108.800 0.032 0.000 2.443 59 G HA2 0.166 4.126 3.960 -0.000 0.000 0.219 59 G HA3 0.166 4.126 3.960 -0.000 0.000 0.219 59 G C 0.649 175.575 174.900 0.044 0.000 1.131 59 G CA 1.105 46.227 45.100 0.036 0.000 0.775 59 G HN 1.203 nan 8.290 nan 0.000 0.547 60 T N -3.965 110.619 114.554 0.050 0.000 2.907 60 T HA 0.682 5.032 4.350 -0.000 0.000 0.292 60 T C 1.117 175.873 174.700 0.093 0.000 1.043 60 T CA 0.090 62.228 62.100 0.064 0.000 1.003 60 T CB 2.053 70.955 68.868 0.057 0.000 1.084 60 T HN 0.151 nan 8.240 nan 0.000 0.483 61 A N 1.264 124.158 122.820 0.124 0.000 1.898 61 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 61 A C 1.883 179.646 177.584 0.299 0.000 1.181 61 A CA 1.601 53.775 52.037 0.228 0.000 0.620 61 A CB -1.042 18.107 19.000 0.248 0.000 0.819 61 A HN 0.886 nan 8.150 nan 0.000 0.442 62 D N -0.712 119.790 120.400 0.170 0.000 2.116 62 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 62 D C 2.037 178.433 176.300 0.160 0.000 0.998 62 D CA 1.765 55.847 54.000 0.138 0.000 0.836 62 D CB -0.345 40.493 40.800 0.064 0.000 0.951 62 D HN 0.677 nan 8.370 nan 0.000 0.449 63 Q N 0.119 119.989 119.800 0.118 0.000 2.119 63 Q HA -0.094 4.245 4.340 -0.000 0.000 0.201 63 Q C 2.135 178.187 176.000 0.088 0.000 0.972 63 Q CA 0.715 56.571 55.803 0.089 0.000 0.847 63 Q CB 0.181 28.954 28.738 0.057 0.000 0.903 63 Q HN 0.106 nan 8.270 nan 0.000 0.433 64 V N -0.204 119.762 119.914 0.088 0.000 2.255 64 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 64 V C 1.709 177.807 176.094 0.005 0.000 1.051 64 V CA 2.104 64.408 62.300 0.006 0.000 1.018 64 V CB -0.744 31.046 31.823 -0.055 0.000 0.641 64 V HN 0.520 nan 8.190 nan 0.000 0.445 65 W N 0.021 121.323 121.300 0.002 0.000 2.338 65 W HA -0.129 4.531 4.660 -0.000 0.000 0.304 65 W C 2.618 179.142 176.519 0.009 0.000 1.212 65 W CA 1.678 59.027 57.345 0.006 0.000 1.264 65 W CB -0.670 28.797 29.460 0.010 0.000 1.142 65 W HN 0.202 nan 8.180 nan 0.000 0.512 66 A N -0.341 122.622 122.820 0.238 0.000 1.969 66 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 66 A C 1.369 179.010 177.584 0.095 0.000 1.169 66 A CA 2.015 54.140 52.037 0.146 0.000 0.635 66 A CB -0.501 18.563 19.000 0.107 0.000 0.810 66 A HN 0.142 nan 8.150 nan 0.000 0.445 67 D N -0.893 119.549 120.400 0.070 0.000 2.379 67 D HA 0.349 4.989 4.640 -0.000 0.000 0.208 67 D C 0.557 176.867 176.300 0.017 0.000 1.065 67 D CA 0.693 54.716 54.000 0.038 0.000 0.848 67 D CB 0.230 41.046 40.800 0.027 0.000 0.949 67 D HN 0.377 nan 8.370 nan 0.000 0.509 68 A N 0.750 123.570 122.820 0.001 0.000 2.331 68 A HA 0.246 4.566 4.320 -0.000 0.000 0.283 68 A C 0.723 178.297 177.584 -0.017 0.000 1.142 68 A CA -0.395 51.620 52.037 -0.036 0.000 0.812 68 A CB 0.702 19.639 19.000 -0.106 0.000 1.074 68 A HN -0.125 nan 8.150 nan 0.000 0.497 69 D N 0.967 121.358 120.400 -0.016 0.000 2.240 69 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 69 D C 0.162 176.451 176.300 -0.019 0.000 0.963 69 D CA 0.933 54.931 54.000 -0.003 0.000 0.863 69 D CB 0.297 41.101 40.800 0.006 0.000 0.973 69 D HN 0.381 nan 8.370 nan 0.000 0.501 70 L N 1.466 122.660 121.223 -0.048 0.000 2.372 70 L HA 0.385 4.725 4.340 -0.000 0.000 0.274 70 L C -1.503 175.308 176.870 -0.098 0.000 0.988 70 L CA -0.658 54.148 54.840 -0.057 0.000 0.833 70 L CB 2.187 44.211 42.059 -0.058 0.000 1.236 70 L HN -0.157 nan 8.230 nan 0.000 0.410 71 L N 5.781 126.927 121.223 -0.128 0.000 2.298 71 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 71 L C -0.965 175.793 176.870 -0.186 0.000 1.013 71 L CA -0.180 54.504 54.840 -0.260 0.000 0.824 71 L CB 1.288 43.057 42.059 -0.483 0.000 1.221 71 L HN 0.513 nan 8.230 nan 0.000 0.418 72 L N 5.418 126.542 121.223 -0.166 0.000 2.295 72 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 72 L C -0.198 176.592 176.870 -0.134 0.000 1.035 72 L CA -0.587 54.201 54.840 -0.086 0.000 0.806 72 L CB 1.382 43.434 42.059 -0.011 0.000 1.214 72 L HN 0.586 nan 8.230 nan 0.000 0.426 73 K N 1.210 121.538 120.400 -0.120 0.000 2.469 73 K HA 0.492 4.812 4.320 -0.000 0.000 0.268 73 K C 0.058 176.657 176.600 -0.001 0.000 1.027 73 K CA -0.822 55.425 56.287 -0.067 0.000 0.893 73 K CB 2.673 35.136 32.500 -0.061 0.000 1.460 73 K HN 0.200 nan 8.250 nan 0.000 0.449 74 V N 0.314 120.286 119.914 0.096 0.000 2.581 74 V HA 0.086 4.206 4.120 -0.000 0.000 0.240 74 V C 0.337 176.603 176.094 0.286 0.000 1.054 74 V CA 0.999 63.442 62.300 0.239 0.000 1.076 74 V CB 0.035 32.000 31.823 0.237 0.000 0.748 74 V HN 0.492 nan 8.190 nan 0.000 0.474 75 K N 1.033 121.546 120.400 0.189 0.000 2.245 75 K HA 0.365 4.685 4.320 -0.000 0.000 0.234 75 K C 0.056 176.738 176.600 0.137 0.000 1.021 75 K CA -0.724 55.680 56.287 0.194 0.000 0.898 75 K CB 0.542 33.132 32.500 0.149 0.000 1.163 75 K HN 0.337 nan 8.250 nan 0.000 0.459 76 E N 2.268 122.560 120.200 0.154 0.000 2.404 76 E HA 0.131 4.481 4.350 -0.000 0.000 0.261 76 E C -2.231 174.464 176.600 0.159 0.000 1.074 76 E CA -1.476 55.007 56.400 0.138 0.000 0.917 76 E CB -0.296 29.495 29.700 0.153 0.000 0.965 76 E HN 0.173 nan 8.360 nan 0.000 0.433 77 P HA 0.079 nan 4.420 nan 0.000 0.266 77 P C 0.044 177.443 177.300 0.164 0.000 1.195 77 P CA 0.190 63.422 63.100 0.219 0.000 0.768 77 P CB 0.372 32.241 31.700 0.282 0.000 0.838 78 I N -1.211 119.341 120.570 -0.029 0.000 3.217 78 I HA 0.645 4.815 4.170 -0.000 0.000 0.308 78 I C 1.466 177.104 176.117 -0.798 0.000 1.091 78 I CA -1.245 59.914 61.300 -0.235 0.000 1.013 78 I CB 0.917 38.837 38.000 -0.133 0.000 1.250 78 I HN 0.228 nan 8.210 nan 0.000 0.496 79 A N 1.859 124.130 122.820 -0.914 0.000 1.884 79 A HA -0.211 4.108 4.320 -0.000 0.000 0.219 79 A C 2.229 179.405 177.584 -0.679 0.000 1.197 79 A CA 2.770 54.136 52.037 -1.119 0.000 0.637 79 A CB -1.470 17.252 19.000 -0.464 0.000 0.827 79 A HN 1.071 nan 8.150 nan 0.000 0.450 80 A N -1.032 121.556 122.820 -0.387 0.000 2.225 80 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 80 A C 1.713 179.139 177.584 -0.264 0.000 1.164 80 A CA 1.612 53.501 52.037 -0.246 0.000 0.710 80 A CB -0.416 18.490 19.000 -0.157 0.000 0.780 80 A HN 0.712 nan 8.150 nan 0.000 0.473 81 E N -2.113 117.880 120.200 -0.345 0.000 2.473 81 E HA 0.040 4.390 4.350 -0.000 0.000 0.204 81 E C 0.940 177.336 176.600 -0.340 0.000 0.994 81 E CA -0.148 56.014 56.400 -0.397 0.000 0.945 81 E CB 0.013 29.528 29.700 -0.310 0.000 0.990 81 E HN 0.643 nan 8.360 nan 0.000 0.493 82 Y N 0.778 120.933 120.300 -0.242 0.000 2.256 82 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 82 Y C 2.477 178.251 175.900 -0.211 0.000 1.155 82 Y CA 1.306 59.289 58.100 -0.195 0.000 1.203 82 Y CB -1.062 37.331 38.460 -0.113 0.000 0.980 82 Y HN 0.094 nan 8.280 nan 0.000 0.530 83 G N -0.550 108.217 108.800 -0.055 0.000 2.598 83 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 83 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 83 G C 1.761 176.562 174.900 -0.165 0.000 1.131 83 G CA 0.108 45.155 45.100 -0.088 0.000 0.785 83 G HN 0.305 nan 8.290 nan 0.000 0.539 84 R N -0.542 119.749 120.500 -0.350 0.000 2.246 84 R HA 0.213 4.553 4.340 -0.000 0.000 0.199 84 R C 0.395 176.512 176.300 -0.305 0.000 0.984 84 R CA -0.269 55.543 56.100 -0.481 0.000 1.015 84 R CB -0.099 29.514 30.300 -1.146 0.000 0.930 84 R HN 0.290 nan 8.270 nan 0.000 0.475 85 L N 3.173 124.242 121.223 -0.258 0.000 2.490 85 L HA 0.040 4.380 4.340 -0.000 0.000 0.274 85 L C 0.455 177.362 176.870 0.063 0.000 1.201 85 L CA 0.494 55.333 54.840 -0.001 0.000 0.869 85 L CB 0.107 42.163 42.059 -0.004 0.000 1.123 85 L HN 0.131 nan 8.230 nan 0.000 0.484 86 R N 1.818 122.397 120.500 0.130 0.000 2.698 86 R HA 0.378 4.717 4.340 -0.000 0.000 0.275 86 R C -0.709 175.650 176.300 0.099 0.000 1.001 86 R CA -1.004 55.162 56.100 0.110 0.000 0.896 86 R CB 1.282 31.654 30.300 0.120 0.000 1.218 86 R HN 0.529 nan 8.270 nan 0.000 0.462 87 H N 1.235 120.312 119.070 0.012 0.000 2.928 87 H HA 0.078 4.634 4.556 -0.000 0.000 0.338 87 H C 0.905 176.249 175.328 0.028 0.000 1.047 87 H CA 2.624 58.668 56.048 -0.007 0.000 1.435 87 H CB 0.817 30.563 29.762 -0.026 0.000 1.428 87 H HN 0.973 nan 8.280 nan 0.000 0.590 88 G N 3.675 112.137 108.800 -0.564 0.000 2.159 88 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 88 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 88 G C 0.210 175.065 174.900 -0.075 0.000 0.977 88 G CA 0.499 45.417 45.100 -0.304 0.000 0.652 88 G HN 0.795 nan 8.290 nan 0.000 0.531 89 Q N -0.263 119.506 119.800 -0.051 0.000 2.266 89 Q HA 0.716 5.056 4.340 -0.000 0.000 0.261 89 Q C -0.211 175.768 176.000 -0.033 0.000 0.985 89 Q CA -1.102 54.698 55.803 -0.004 0.000 0.873 89 Q CB 1.027 29.794 28.738 0.048 0.000 1.306 89 Q HN 0.365 nan 8.270 nan 0.000 0.447 90 I N 3.814 124.367 120.570 -0.028 0.000 2.315 90 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 90 I C -0.677 175.413 176.117 -0.045 0.000 1.006 90 I CA -0.725 60.537 61.300 -0.064 0.000 1.265 90 I CB 1.171 39.150 38.000 -0.035 0.000 1.387 90 I HN 0.478 nan 8.210 nan 0.000 0.475 91 L N 7.827 129.027 121.223 -0.038 0.000 2.282 91 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 91 L C -1.414 175.478 176.870 0.036 0.000 1.033 91 L CA -0.019 54.813 54.840 -0.014 0.000 0.807 91 L CB 0.982 43.059 42.059 0.031 0.000 1.209 91 L HN 0.389 nan 8.230 nan 0.000 0.423 92 F N 4.979 124.807 119.950 -0.203 0.000 2.496 92 F HA 0.742 5.269 4.527 -0.000 0.000 0.341 92 F C -0.340 175.101 175.800 -0.599 0.000 1.134 92 F CA -0.238 57.596 58.000 -0.277 0.000 0.968 92 F CB 1.306 40.255 39.000 -0.085 0.000 1.205 92 F HN 0.650 nan 8.300 nan 0.000 0.436 93 T N 4.641 118.571 114.554 -1.041 0.000 2.700 93 T HA 0.404 4.754 4.350 -0.000 0.000 0.307 93 T C -1.441 172.540 174.700 -1.200 0.000 1.580 93 T CA -0.526 60.742 62.100 -1.387 0.000 0.992 93 T CB 0.420 69.002 68.868 -0.477 0.000 1.577 93 T HN 0.147 nan 8.240 nan 0.000 0.496 94 F N 2.610 122.194 119.950 -0.610 0.000 2.506 94 F HA 0.334 4.861 4.527 -0.000 0.000 0.371 94 F C 1.361 176.982 175.800 -0.299 0.000 1.078 94 F CA -0.019 57.790 58.000 -0.319 0.000 1.195 94 F CB 0.546 39.514 39.000 -0.054 0.000 1.099 94 F HN 0.365 nan 8.300 nan 0.000 0.548 95 L N 1.809 122.915 121.223 -0.196 0.000 2.445 95 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 95 L C 0.253 177.117 176.870 -0.010 0.000 1.053 95 L CA -0.105 54.683 54.840 -0.086 0.000 0.841 95 L CB -0.265 41.751 42.059 -0.073 0.000 1.074 95 L HN 0.638 nan 8.230 nan 0.000 0.479 96 H N -0.285 118.840 119.070 0.091 0.000 2.604 96 H HA -0.182 4.374 4.556 -0.000 0.000 0.321 96 H C 1.243 176.596 175.328 0.042 0.000 1.132 96 H CA 0.079 56.164 56.048 0.061 0.000 1.129 96 H CB -1.696 28.094 29.762 0.047 0.000 1.526 96 H HN 0.239 nan 8.280 nan 0.000 0.415 97 L N -0.671 120.607 121.223 0.090 0.000 2.079 97 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 97 L C 2.679 179.583 176.870 0.056 0.000 1.081 97 L CA 1.425 56.301 54.840 0.059 0.000 0.752 97 L CB -0.523 41.554 42.059 0.031 0.000 0.896 97 L HN 0.708 nan 8.230 nan 0.000 0.433 98 A N -0.080 122.776 122.820 0.060 0.000 2.070 98 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 98 A C 2.367 179.976 177.584 0.042 0.000 1.159 98 A CA 1.464 53.527 52.037 0.043 0.000 0.656 98 A CB -0.428 18.595 19.000 0.039 0.000 0.800 98 A HN 0.413 nan 8.150 nan 0.000 0.453 99 A N -1.505 121.351 122.820 0.061 0.000 2.169 99 A HA 0.363 4.683 4.320 -0.000 0.000 0.212 99 A C 1.114 178.722 177.584 0.041 0.000 1.153 99 A CA 1.039 53.103 52.037 0.045 0.000 0.756 99 A CB -0.165 18.864 19.000 0.047 0.000 0.813 99 A HN 0.630 nan 8.150 nan 0.000 0.471 100 S N -1.079 114.649 115.700 0.047 0.000 2.737 100 S HA 0.351 4.821 4.470 -0.000 0.000 0.269 100 S C 0.494 175.109 174.600 0.025 0.000 1.150 100 S CA -0.634 57.593 58.200 0.044 0.000 1.077 100 S CB 0.705 63.947 63.200 0.070 0.000 1.075 100 S HN 0.440 nan 8.310 nan 0.000 0.476 101 R N 3.199 123.707 120.500 0.014 0.000 2.148 101 R HA -0.016 4.323 4.340 -0.000 0.000 0.227 101 R C 2.007 178.291 176.300 -0.027 0.000 1.103 101 R CA 1.617 57.714 56.100 -0.005 0.000 0.983 101 R CB -0.359 29.939 30.300 -0.004 0.000 0.874 101 R HN 0.725 nan 8.270 nan 0.000 0.451 102 A N 0.401 123.217 122.820 -0.006 0.000 1.858 102 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 102 A C 2.454 179.941 177.584 -0.161 0.000 1.190 102 A CA 1.558 53.578 52.037 -0.027 0.000 0.617 102 A CB -1.266 17.796 19.000 0.102 0.000 0.827 102 A HN 0.593 nan 8.150 nan 0.000 0.443 103 C N -0.928 118.349 119.300 -0.038 0.000 2.413 103 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 103 C C 3.022 177.929 174.990 -0.139 0.000 1.228 103 C CA 2.065 61.036 59.018 -0.078 0.000 1.731 103 C CB -1.521 26.268 27.740 0.081 0.000 2.042 103 C HN 0.638 nan 8.230 nan 0.000 0.468 104 T N 0.427 114.938 114.554 -0.071 0.000 2.635 104 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 104 T C 1.371 176.010 174.700 -0.102 0.000 1.040 104 T CA 2.111 64.174 62.100 -0.062 0.000 1.156 104 T CB -0.496 68.357 68.868 -0.026 0.000 0.863 104 T HN 0.564 nan 8.240 nan 0.000 0.430 105 D N 0.946 121.271 120.400 -0.125 0.000 2.144 105 D HA 0.022 4.662 4.640 -0.000 0.000 0.199 105 D C 2.343 178.529 176.300 -0.191 0.000 0.984 105 D CA 1.134 55.056 54.000 -0.131 0.000 0.834 105 D CB -0.418 40.317 40.800 -0.108 0.000 0.955 105 D HN 0.402 nan 8.370 nan 0.000 0.465 106 A N 0.535 123.152 122.820 -0.338 0.000 1.902 106 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 106 A C 2.400 179.840 177.584 -0.240 0.000 1.181 106 A CA 0.831 52.613 52.037 -0.425 0.000 0.623 106 A CB -0.681 17.706 19.000 -1.022 0.000 0.818 106 A HN 0.201 nan 8.150 nan 0.000 0.443 107 L N -0.663 120.448 121.223 -0.186 0.000 1.994 107 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 107 L C 2.625 179.448 176.870 -0.079 0.000 1.071 107 L CA 1.229 56.013 54.840 -0.093 0.000 0.745 107 L CB -0.635 41.387 42.059 -0.061 0.000 0.892 107 L HN 0.377 nan 8.230 nan 0.000 0.431 108 L N -0.433 120.741 121.223 -0.082 0.000 2.012 108 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 108 L C 2.302 179.131 176.870 -0.068 0.000 1.073 108 L CA 1.293 56.093 54.840 -0.067 0.000 0.748 108 L CB -0.748 41.276 42.059 -0.058 0.000 0.891 108 L HN 0.299 nan 8.230 nan 0.000 0.431 109 D N -0.365 119.987 120.400 -0.080 0.000 2.144 109 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 109 D C 2.396 178.662 176.300 -0.057 0.000 0.984 109 D CA 1.681 55.639 54.000 -0.071 0.000 0.834 109 D CB -0.127 40.624 40.800 -0.081 0.000 0.955 109 D HN 0.367 nan 8.370 nan 0.000 0.465 110 S N -0.723 114.945 115.700 -0.055 0.000 2.453 110 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 110 S C 1.902 176.509 174.600 0.011 0.000 1.005 110 S CA 1.232 59.419 58.200 -0.022 0.000 0.949 110 S CB -0.091 63.099 63.200 -0.017 0.000 0.774 110 S HN 0.344 nan 8.310 nan 0.000 0.510 111 G N 0.397 109.191 108.800 -0.009 0.000 2.184 111 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 111 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 111 G C 0.240 175.145 174.900 0.009 0.000 0.975 111 G CA 0.550 45.664 45.100 0.023 0.000 0.642 111 G HN 0.809 nan 8.290 nan 0.000 0.536 112 T N 0.736 115.279 114.554 -0.018 0.000 2.802 112 T HA 0.496 4.846 4.350 -0.000 0.000 0.305 112 T C 0.713 175.348 174.700 -0.109 0.000 1.053 112 T CA 1.103 63.175 62.100 -0.048 0.000 1.058 112 T CB 0.395 69.268 68.868 0.009 0.000 0.988 112 T HN 0.253 nan 8.240 nan 0.000 0.539 113 T N 3.424 117.888 114.554 -0.149 0.000 2.749 113 T HA 0.533 4.883 4.350 -0.000 0.000 0.287 113 T C -0.344 174.225 174.700 -0.219 0.000 0.970 113 T CA -0.712 61.229 62.100 -0.266 0.000 0.980 113 T CB 0.710 69.235 68.868 -0.571 0.000 0.924 113 T HN 0.666 nan 8.240 nan 0.000 0.456 114 S N 3.159 118.747 115.700 -0.187 0.000 2.526 114 S HA 0.823 5.293 4.470 -0.000 0.000 0.293 114 S C -0.843 173.698 174.600 -0.099 0.000 1.092 114 S CA -0.944 57.192 58.200 -0.107 0.000 0.980 114 S CB 1.124 64.292 63.200 -0.054 0.000 1.048 114 S HN 0.595 nan 8.310 nan 0.000 0.483 115 I N 1.635 122.184 120.570 -0.035 0.000 2.499 115 I HA 0.582 4.752 4.170 -0.000 0.000 0.288 115 I C -0.164 176.015 176.117 0.103 0.000 1.048 115 I CA -1.038 60.275 61.300 0.022 0.000 1.062 115 I CB 2.053 40.012 38.000 -0.068 0.000 1.238 115 I HN 0.906 nan 8.210 nan 0.000 0.426 116 A N 5.515 128.357 122.820 0.037 0.000 2.289 116 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 116 A C 0.496 178.074 177.584 -0.010 0.000 1.208 116 A CA -0.224 51.777 52.037 -0.059 0.000 0.845 116 A CB 0.132 19.102 19.000 -0.050 0.000 1.125 116 A HN 0.844 nan 8.150 nan 0.000 0.517 117 Y N 1.051 121.158 120.300 -0.322 0.000 2.114 117 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 117 Y C 2.591 178.357 175.900 -0.224 0.000 1.165 117 Y CA 1.325 59.111 58.100 -0.522 0.000 1.148 117 Y CB 0.147 37.833 38.460 -1.290 0.000 0.972 117 Y HN 0.857 nan 8.280 nan 0.000 0.504 118 E N 0.494 120.774 120.200 0.132 0.000 2.418 118 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 118 E C 1.244 177.916 176.600 0.120 0.000 1.026 118 E CA 1.587 58.136 56.400 0.249 0.000 0.862 118 E CB -0.570 29.324 29.700 0.323 0.000 0.799 118 E HN 0.520 nan 8.360 nan 0.000 0.518 119 T N -1.686 112.908 114.554 0.066 0.000 3.054 119 T HA 0.254 4.604 4.350 -0.000 0.000 0.255 119 T C 0.746 175.463 174.700 0.030 0.000 1.035 119 T CA -0.349 61.780 62.100 0.048 0.000 0.941 119 T CB 0.060 68.952 68.868 0.040 0.000 1.026 119 T HN -0.069 nan 8.240 nan 0.000 0.533 120 V N 2.543 122.462 119.914 0.008 0.000 2.509 120 V HA 0.199 4.319 4.120 -0.000 0.000 0.297 120 V C 0.031 176.113 176.094 -0.021 0.000 1.014 120 V CA 0.368 62.636 62.300 -0.052 0.000 1.127 120 V CB 0.110 31.813 31.823 -0.199 0.000 0.925 120 V HN 0.610 nan 8.190 nan 0.000 0.480 121 Q N 3.763 123.569 119.800 0.009 0.000 2.263 121 Q HA 0.437 4.776 4.340 -0.000 0.000 0.262 121 Q C -0.225 175.808 176.000 0.054 0.000 0.984 121 Q CA -0.602 55.223 55.803 0.036 0.000 0.813 121 Q CB 2.100 30.861 28.738 0.038 0.000 1.299 121 Q HN 0.875 nan 8.270 nan 0.000 0.428 122 T N -0.245 114.349 114.554 0.066 0.000 2.788 122 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 122 T C 1.160 175.891 174.700 0.053 0.000 0.984 122 T CA 0.027 62.170 62.100 0.071 0.000 0.972 122 T CB 1.157 70.073 68.868 0.080 0.000 1.039 122 T HN 0.648 nan 8.240 nan 0.000 0.530 123 A N 0.787 123.635 122.820 0.048 0.000 2.015 123 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 123 A C 1.872 179.476 177.584 0.033 0.000 1.163 123 A CA 1.377 53.436 52.037 0.038 0.000 0.646 123 A CB -0.945 18.075 19.000 0.033 0.000 0.806 123 A HN 0.952 nan 8.150 nan 0.000 0.448 124 D N -1.873 118.547 120.400 0.033 0.000 2.363 124 D HA 0.214 4.854 4.640 -0.000 0.000 0.226 124 D C 1.205 177.523 176.300 0.030 0.000 1.020 124 D CA 1.062 55.079 54.000 0.029 0.000 0.892 124 D CB -0.553 40.263 40.800 0.027 0.000 0.900 124 D HN 0.769 nan 8.370 nan 0.000 0.531 125 G N -0.512 108.308 108.800 0.035 0.000 2.194 125 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.236 125 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.236 125 G C 0.514 175.437 174.900 0.039 0.000 0.987 125 G CA 0.166 45.287 45.100 0.035 0.000 0.635 125 G HN 0.807 nan 8.290 nan 0.000 0.520 126 A N 0.043 122.888 122.820 0.042 0.000 2.386 126 A HA 0.702 5.022 4.320 -0.000 0.000 0.248 126 A C 0.472 178.088 177.584 0.053 0.000 1.082 126 A CA 0.237 52.301 52.037 0.046 0.000 0.789 126 A CB 0.324 19.351 19.000 0.046 0.000 1.025 126 A HN 0.924 nan 8.150 nan 0.000 0.490 127 L N 3.272 124.529 121.223 0.057 0.000 2.371 127 L HA 0.290 4.630 4.340 -0.000 0.000 0.262 127 L C -1.468 175.442 176.870 0.066 0.000 1.054 127 L CA -1.449 53.428 54.840 0.061 0.000 0.924 127 L CB 1.506 43.611 42.059 0.076 0.000 1.295 127 L HN 0.615 nan 8.230 nan 0.000 0.441 128 P HA -0.122 nan 4.420 nan 0.000 0.225 128 P C 1.226 178.559 177.300 0.056 0.000 1.148 128 P CA 1.086 64.234 63.100 0.080 0.000 0.779 128 P CB 0.516 32.300 31.700 0.139 0.000 0.780 129 L N -1.666 119.563 121.223 0.010 0.000 2.416 129 L HA 0.069 4.409 4.340 -0.000 0.000 0.216 129 L C 2.406 179.353 176.870 0.128 0.000 1.098 129 L CA 0.197 55.006 54.840 -0.051 0.000 0.840 129 L CB -0.592 41.305 42.059 -0.269 0.000 0.981 129 L HN -0.042 nan 8.230 nan 0.000 0.462 130 L N 0.570 121.909 121.223 0.193 0.000 2.179 130 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 130 L C 2.615 179.571 176.870 0.145 0.000 1.096 130 L CA 1.637 56.621 54.840 0.241 0.000 0.779 130 L CB -0.567 41.610 42.059 0.197 0.000 0.922 130 L HN 0.085 nan 8.230 nan 0.000 0.443 131 A N 1.339 124.224 122.820 0.108 0.000 1.896 131 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 131 A C 0.095 177.733 177.584 0.090 0.000 1.206 131 A CA 2.404 54.494 52.037 0.088 0.000 0.647 131 A CB -2.384 16.660 19.000 0.075 0.000 0.828 131 A HN 0.539 nan 8.150 nan 0.000 0.455 132 P HA -0.139 nan 4.420 nan 0.000 0.220 132 P C 1.382 178.740 177.300 0.096 0.000 1.148 132 P CA 1.165 64.320 63.100 0.090 0.000 0.803 132 P CB -0.219 31.531 31.700 0.082 0.000 0.782 133 M N -0.684 118.979 119.600 0.105 0.000 2.349 133 M HA 0.002 4.482 4.480 -0.000 0.000 0.266 133 M C 2.092 178.426 176.300 0.056 0.000 1.076 133 M CA 1.153 56.501 55.300 0.079 0.000 1.126 133 M CB -1.634 30.996 32.600 0.051 0.000 1.392 133 M HN -0.091 nan 8.290 nan 0.000 0.440 134 S N 0.714 116.451 115.700 0.062 0.000 2.383 134 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 134 S C 1.788 176.430 174.600 0.071 0.000 1.026 134 S CA 1.061 59.296 58.200 0.058 0.000 0.981 134 S CB -0.152 63.086 63.200 0.063 0.000 0.818 134 S HN 0.515 nan 8.310 nan 0.000 0.472 135 E N 0.651 120.902 120.200 0.086 0.000 2.058 135 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 135 E C 2.115 178.760 176.600 0.075 0.000 0.997 135 E CA 1.359 57.816 56.400 0.096 0.000 0.801 135 E CB -0.268 29.494 29.700 0.104 0.000 0.746 135 E HN 0.269 nan 8.360 nan 0.000 0.450 136 V N 1.420 121.377 119.914 0.071 0.000 2.270 136 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 136 V C 2.369 178.497 176.094 0.056 0.000 1.043 136 V CA 1.843 64.181 62.300 0.065 0.000 1.014 136 V CB -0.802 31.066 31.823 0.075 0.000 0.645 136 V HN 0.327 nan 8.190 nan 0.000 0.447 137 A N 0.591 123.444 122.820 0.055 0.000 1.908 137 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 137 A C 2.418 180.022 177.584 0.032 0.000 1.181 137 A CA 2.185 54.251 52.037 0.048 0.000 0.627 137 A CB -1.338 17.684 19.000 0.036 0.000 0.818 137 A HN 0.541 nan 8.150 nan 0.000 0.445 138 G N -0.599 108.220 108.800 0.030 0.000 2.421 138 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 138 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 138 G C 1.754 176.650 174.900 -0.007 0.000 1.171 138 G CA 0.895 46.003 45.100 0.013 0.000 0.775 138 G HN 0.580 nan 8.290 nan 0.000 0.543 139 R N -0.207 120.295 120.500 0.003 0.000 2.081 139 R HA 0.068 4.408 4.340 -0.000 0.000 0.235 139 R C 2.646 178.939 176.300 -0.010 0.000 1.131 139 R CA 0.850 56.945 56.100 -0.009 0.000 0.960 139 R CB -0.534 29.770 30.300 0.007 0.000 0.856 139 R HN 0.322 nan 8.270 nan 0.000 0.436 140 L N 0.328 121.555 121.223 0.006 0.000 2.046 140 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 140 L C 2.715 179.564 176.870 -0.036 0.000 1.077 140 L CA 1.174 56.016 54.840 0.004 0.000 0.747 140 L CB -0.587 41.499 42.059 0.046 0.000 0.896 140 L HN 0.248 nan 8.230 nan 0.000 0.432 141 A N -0.039 122.758 122.820 -0.039 0.000 1.948 141 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 141 A C 2.487 180.018 177.584 -0.088 0.000 1.177 141 A CA 1.971 53.959 52.037 -0.081 0.000 0.636 141 A CB -0.687 18.286 19.000 -0.045 0.000 0.815 141 A HN 0.454 nan 8.150 nan 0.000 0.449 142 A N -0.133 122.650 122.820 -0.061 0.000 1.855 142 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 142 A C 2.139 179.694 177.584 -0.048 0.000 1.191 142 A CA 1.598 53.601 52.037 -0.057 0.000 0.613 142 A CB -0.698 18.267 19.000 -0.057 0.000 0.829 142 A HN 0.703 nan 8.150 nan 0.000 0.442 143 Q N 0.230 120.005 119.800 -0.041 0.000 2.124 143 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 143 Q C 2.005 177.991 176.000 -0.024 0.000 0.977 143 Q CA 1.933 57.721 55.803 -0.026 0.000 0.850 143 Q CB -0.836 27.886 28.738 -0.027 0.000 0.901 143 Q HN 0.716 nan 8.270 nan 0.000 0.429 144 V N -1.505 118.365 119.914 -0.074 0.000 2.591 144 V HA 0.061 4.181 4.120 -0.000 0.000 0.249 144 V C 2.075 178.150 176.094 -0.031 0.000 1.053 144 V CA 1.610 63.854 62.300 -0.093 0.000 1.068 144 V CB -1.229 30.405 31.823 -0.314 0.000 0.689 144 V HN 0.299 nan 8.190 nan 0.000 0.462 145 G N 0.380 109.127 108.800 -0.087 0.000 2.421 145 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 145 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 145 G C 1.782 176.693 174.900 0.017 0.000 1.171 145 G CA 1.445 46.523 45.100 -0.036 0.000 0.775 145 G HN 0.878 nan 8.290 nan 0.000 0.543 146 A N 0.052 122.875 122.820 0.006 0.000 1.903 146 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 146 A C 2.260 179.858 177.584 0.022 0.000 1.191 146 A CA 1.968 54.011 52.037 0.011 0.000 0.638 146 A CB -0.840 18.166 19.000 0.011 0.000 0.823 146 A HN 0.515 nan 8.150 nan 0.000 0.451 147 Y N -0.489 119.752 120.300 -0.099 0.000 2.200 147 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 147 Y C 2.494 178.271 175.900 -0.204 0.000 1.137 147 Y CA 2.186 60.183 58.100 -0.171 0.000 1.163 147 Y CB -0.108 38.199 38.460 -0.256 0.000 0.988 147 Y HN 0.484 nan 8.280 nan 0.000 0.518 148 H N -0.517 118.605 119.070 0.086 0.000 2.548 148 H HA 0.035 4.591 4.556 0.000 0.000 0.268 148 H C 2.088 177.399 175.328 -0.028 0.000 0.975 148 H CA 0.896 56.966 56.048 0.037 0.000 1.195 148 H CB 0.059 29.883 29.762 0.104 0.000 1.397 148 H HN 0.402 nan 8.280 nan 0.000 0.572 149 L N 0.389 121.634 121.223 0.037 0.000 2.376 149 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 149 L C 0.878 177.718 176.870 -0.050 0.000 1.133 149 L CA 0.245 55.082 54.840 -0.006 0.000 0.816 149 L CB -0.107 41.943 42.059 -0.016 0.000 0.933 149 L HN 0.134 nan 8.230 nan 0.000 0.449 150 M N -0.795 118.733 119.600 -0.119 0.000 2.245 150 M HA -0.030 4.450 4.480 -0.000 0.000 0.344 150 M C 1.421 177.660 176.300 -0.102 0.000 1.170 150 M CA 0.447 55.656 55.300 -0.151 0.000 1.135 150 M CB 0.693 33.118 32.600 -0.292 0.000 1.574 150 M HN 0.020 nan 8.290 nan 0.000 0.452 151 R N 0.848 121.304 120.500 -0.075 0.000 2.189 151 R HA -0.093 4.247 4.340 -0.000 0.000 0.218 151 R C 1.765 178.042 176.300 -0.039 0.000 1.074 151 R CA 1.792 57.867 56.100 -0.042 0.000 0.991 151 R CB -0.129 30.153 30.300 -0.030 0.000 0.883 151 R HN 0.940 nan 8.270 nan 0.000 0.457 152 T N -1.270 113.242 114.554 -0.069 0.000 3.007 152 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 152 T C 1.320 176.000 174.700 -0.034 0.000 1.107 152 T CA 0.685 62.751 62.100 -0.056 0.000 1.118 152 T CB 0.090 68.908 68.868 -0.083 0.000 0.889 152 T HN 0.158 nan 8.240 nan 0.000 0.506 153 Q N 0.383 120.158 119.800 -0.041 0.000 2.247 153 Q HA 0.365 4.705 4.340 -0.000 0.000 0.211 153 Q C 1.621 177.681 176.000 0.101 0.000 0.861 153 Q CA 0.570 56.406 55.803 0.055 0.000 0.949 153 Q CB 0.685 29.450 28.738 0.046 0.000 1.115 153 Q HN 0.723 nan 8.270 nan 0.000 0.507 154 G N 0.283 109.113 108.800 0.049 0.000 2.157 154 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 154 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 154 G C 0.499 175.424 174.900 0.041 0.000 0.982 154 G CA -0.124 45.005 45.100 0.049 0.000 0.650 154 G HN 0.578 nan 8.290 nan 0.000 0.527 155 G N -1.005 107.815 108.800 0.034 0.000 2.563 155 G HA2 0.498 4.458 3.960 -0.000 0.000 0.283 155 G HA3 0.498 4.458 3.960 -0.000 0.000 0.283 155 G C 0.836 175.738 174.900 0.004 0.000 1.309 155 G CA 0.354 45.469 45.100 0.025 0.000 1.022 155 G HN 0.421 nan 8.290 nan 0.000 0.501 156 R N -0.912 119.588 120.500 -0.001 0.000 2.148 156 R HA 0.077 4.417 4.340 -0.000 0.000 0.227 156 R C 1.536 177.827 176.300 -0.015 0.000 1.103 156 R CA 1.287 57.382 56.100 -0.008 0.000 0.983 156 R CB -0.298 29.996 30.300 -0.010 0.000 0.874 156 R HN 1.171 nan 8.270 nan 0.000 0.451 157 G N -0.196 108.590 108.800 -0.023 0.000 2.215 157 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.198 157 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.198 157 G C -0.588 174.294 174.900 -0.030 0.000 1.047 157 G CA -0.052 45.029 45.100 -0.031 0.000 0.747 157 G HN 0.163 nan 8.290 nan 0.000 0.495 158 V N 0.935 120.831 119.914 -0.030 0.000 2.384 158 V HA 0.642 4.762 4.120 -0.000 0.000 0.287 158 V C 0.651 176.727 176.094 -0.030 0.000 1.020 158 V CA -1.043 61.241 62.300 -0.027 0.000 0.850 158 V CB 1.624 33.434 31.823 -0.023 0.000 0.987 158 V HN 0.485 nan 8.190 nan 0.000 0.436 159 L N 6.030 127.236 121.223 -0.028 0.000 2.410 159 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 159 L C 1.366 178.223 176.870 -0.022 0.000 1.152 159 L CA 0.540 55.364 54.840 -0.026 0.000 0.855 159 L CB 0.748 42.794 42.059 -0.022 0.000 1.129 159 L HN 0.605 nan 8.230 nan 0.000 0.463 160 M N 3.546 123.134 119.600 -0.021 0.000 2.110 160 M HA -0.153 4.326 4.480 -0.000 0.000 0.257 160 M C 1.612 177.901 176.300 -0.018 0.000 1.071 160 M CA 2.186 57.474 55.300 -0.021 0.000 1.096 160 M CB -1.588 31.000 32.600 -0.021 0.000 1.300 160 M HN 0.859 nan 8.290 nan 0.000 0.411 161 G N -1.117 107.674 108.800 -0.015 0.000 2.985 161 G HA2 0.370 4.330 3.960 -0.000 0.000 0.209 161 G HA3 0.370 4.330 3.960 -0.000 0.000 0.209 161 G C 0.901 175.795 174.900 -0.009 0.000 1.165 161 G CA 0.557 45.650 45.100 -0.012 0.000 0.776 161 G HN 0.797 nan 8.290 nan 0.000 0.541 162 G N -0.833 107.961 108.800 -0.011 0.000 2.598 162 G HA2 0.077 4.037 3.960 -0.000 0.000 0.269 162 G HA3 0.077 4.037 3.960 -0.000 0.000 0.269 162 G C 0.033 174.929 174.900 -0.008 0.000 1.289 162 G CA 0.859 45.954 45.100 -0.009 0.000 0.926 162 G HN 1.583 nan 8.290 nan 0.000 0.567 163 V N -4.597 115.313 119.914 -0.006 0.000 3.188 163 V HA 0.797 4.917 4.120 -0.000 0.000 0.305 163 V C -2.707 173.386 176.094 -0.003 0.000 1.232 163 V CA -1.811 60.486 62.300 -0.005 0.000 1.043 163 V CB 1.593 33.413 31.823 -0.006 0.000 1.068 163 V HN 0.835 nan 8.190 nan 0.000 0.439 164 P HA 0.335 nan 4.420 nan 0.000 0.261 164 P C 0.978 178.278 177.300 -0.001 0.000 1.173 164 P CA 2.119 65.219 63.100 -0.000 0.000 0.760 164 P CB 0.487 32.187 31.700 0.000 0.000 0.783 165 G N 1.140 109.940 108.800 -0.000 0.000 2.217 165 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G C -0.085 174.814 174.900 -0.002 0.000 0.990 165 G CA -0.080 45.019 45.100 -0.001 0.000 0.627 165 G HN 0.559 nan 8.290 nan 0.000 0.522 166 V N 0.676 120.588 119.914 -0.003 0.000 2.656 166 V HA 0.527 4.647 4.120 -0.000 0.000 0.307 166 V C 0.384 176.475 176.094 -0.005 0.000 1.051 166 V CA -0.973 61.324 62.300 -0.005 0.000 0.893 166 V CB 1.931 33.750 31.823 -0.007 0.000 0.999 166 V HN 0.374 nan 8.190 nan 0.000 0.426 167 E N 5.019 125.215 120.200 -0.007 0.000 2.480 167 E HA 0.140 4.490 4.350 -0.000 0.000 0.258 167 E C -2.254 174.341 176.600 -0.009 0.000 0.984 167 E CA -1.035 55.361 56.400 -0.007 0.000 0.930 167 E CB 0.780 30.473 29.700 -0.010 0.000 0.936 167 E HN 0.446 nan 8.360 nan 0.000 0.466 168 P HA 0.065 nan 4.420 nan 0.000 0.274 168 P C -1.208 176.084 177.300 -0.014 0.000 1.256 168 P CA -0.378 62.716 63.100 -0.010 0.000 0.795 168 P CB 0.644 32.341 31.700 -0.005 0.000 1.038 169 A N 0.847 123.657 122.820 -0.017 0.000 2.520 169 A HA 0.083 4.403 4.320 -0.000 0.000 0.235 169 A C 0.327 177.898 177.584 -0.022 0.000 1.065 169 A CA 0.279 52.303 52.037 -0.021 0.000 0.764 169 A CB -0.414 18.571 19.000 -0.024 0.000 1.002 169 A HN 0.547 nan 8.150 nan 0.000 0.502 170 D N 1.951 122.335 120.400 -0.026 0.000 2.373 170 D HA 0.423 5.063 4.640 -0.000 0.000 0.227 170 D C -1.119 175.161 176.300 -0.034 0.000 1.091 170 D CA -0.039 53.943 54.000 -0.030 0.000 0.840 170 D CB 1.100 41.878 40.800 -0.036 0.000 1.060 170 D HN 0.131 nan 8.370 nan 0.000 0.502 171 V N 4.166 124.062 119.914 -0.031 0.000 2.417 171 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 171 V C 0.243 176.318 176.094 -0.031 0.000 1.024 171 V CA -0.808 61.470 62.300 -0.036 0.000 0.861 171 V CB 1.872 33.670 31.823 -0.042 0.000 0.985 171 V HN 0.329 nan 8.190 nan 0.000 0.436 172 V N 5.741 125.635 119.914 -0.033 0.000 2.384 172 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 172 V C -0.220 175.867 176.094 -0.011 0.000 1.020 172 V CA -0.558 61.728 62.300 -0.023 0.000 0.850 172 V CB 1.963 33.768 31.823 -0.030 0.000 0.987 172 V HN 0.615 nan 8.190 nan 0.000 0.436 173 V N 6.540 126.451 119.914 -0.005 0.000 2.370 173 V HA 0.480 4.600 4.120 -0.000 0.000 0.283 173 V C -0.067 176.039 176.094 0.020 0.000 1.023 173 V CA -0.410 61.893 62.300 0.005 0.000 0.857 173 V CB 1.633 33.448 31.823 -0.013 0.000 0.985 173 V HN 0.675 nan 8.190 nan 0.000 0.443 174 I N 4.677 125.270 120.570 0.038 0.000 2.307 174 I HA 0.705 4.875 4.170 -0.000 0.000 0.289 174 I C 0.736 176.868 176.117 0.025 0.000 1.021 174 I CA -0.085 61.237 61.300 0.038 0.000 1.224 174 I CB 1.054 39.098 38.000 0.074 0.000 1.376 174 I HN 0.872 nan 8.210 nan 0.000 0.470 175 G N 4.401 113.213 108.800 0.019 0.000 3.367 175 G HA2 0.119 4.079 3.960 -0.000 0.000 0.686 175 G HA3 0.119 4.079 3.960 -0.000 0.000 0.686 175 G C -0.292 174.636 174.900 0.047 0.000 1.146 175 G CA -0.329 44.786 45.100 0.025 0.000 0.913 175 G HN 0.893 nan 8.290 nan 0.000 0.554 176 A N 1.559 124.416 122.820 0.062 0.000 2.630 176 A HA 0.779 5.099 4.320 -0.000 0.000 0.290 176 A C 1.438 179.093 177.584 0.117 0.000 1.267 176 A CA 1.216 53.314 52.037 0.102 0.000 0.950 176 A CB -0.123 18.938 19.000 0.101 0.000 1.144 176 A HN 2.053 nan 8.150 nan 0.000 0.527 177 G N -0.851 108.006 108.800 0.095 0.000 2.714 177 G HA2 0.340 4.300 3.960 -0.000 0.000 0.197 177 G HA3 0.340 4.300 3.960 -0.000 0.000 0.197 177 G C 1.017 175.992 174.900 0.125 0.000 1.449 177 G CA 0.783 45.933 45.100 0.085 0.000 1.065 177 G HN 0.137 nan 8.290 nan 0.000 0.575 178 T N 0.990 115.604 114.554 0.100 0.000 2.674 178 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 178 T C 2.729 177.525 174.700 0.159 0.000 1.039 178 T CA 2.113 64.290 62.100 0.129 0.000 1.150 178 T CB -0.537 68.386 68.868 0.092 0.000 0.864 178 T HN 0.538 nan 8.240 nan 0.000 0.427 179 A N 1.316 124.197 122.820 0.102 0.000 1.897 179 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 179 A C 2.637 180.262 177.584 0.069 0.000 1.181 179 A CA 1.741 53.824 52.037 0.075 0.000 0.620 179 A CB -1.380 17.645 19.000 0.040 0.000 0.821 179 A HN 0.504 nan 8.150 nan 0.000 0.443 180 G N -1.177 107.669 108.800 0.076 0.000 2.459 180 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 180 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 180 G C 1.572 176.515 174.900 0.071 0.000 1.183 180 G CA 1.365 46.502 45.100 0.061 0.000 0.776 180 G HN 0.644 nan 8.290 nan 0.000 0.552 181 Y N 1.814 122.133 120.300 0.032 0.000 2.165 181 Y HA -0.150 4.400 4.550 0.000 0.000 0.286 181 Y C 2.610 178.540 175.900 0.051 0.000 1.155 181 Y CA 2.176 60.309 58.100 0.054 0.000 1.164 181 Y CB -0.327 38.186 38.460 0.087 0.000 0.978 181 Y HN 0.158 nan 8.280 nan 0.000 0.513 182 N N 0.378 119.034 118.700 -0.074 0.000 2.188 182 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 182 N C 1.989 177.407 175.510 -0.154 0.000 1.018 182 N CA 1.138 54.095 53.050 -0.154 0.000 0.858 182 N CB -0.345 38.174 38.487 0.053 0.000 0.989 182 N HN 0.539 nan 8.380 nan 0.000 0.426 183 A N 1.397 124.162 122.820 -0.093 0.000 1.877 183 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 183 A C 2.403 179.902 177.584 -0.141 0.000 1.186 183 A CA 1.912 53.896 52.037 -0.089 0.000 0.620 183 A CB -0.766 18.203 19.000 -0.050 0.000 0.822 183 A HN 0.326 nan 8.150 nan 0.000 0.443 184 A N -0.422 122.287 122.820 -0.184 0.000 1.902 184 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 184 A C 2.263 179.630 177.584 -0.361 0.000 1.181 184 A CA 1.768 53.657 52.037 -0.246 0.000 0.623 184 A CB -0.534 18.320 19.000 -0.242 0.000 0.818 184 A HN 0.566 nan 8.150 nan 0.000 0.443 185 R N -0.362 119.872 120.500 -0.442 0.000 2.083 185 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 185 R C 1.779 177.958 176.300 -0.201 0.000 1.137 185 R CA 1.942 57.809 56.100 -0.389 0.000 0.951 185 R CB -0.288 29.794 30.300 -0.363 0.000 0.851 185 R HN 0.460 nan 8.270 nan 0.000 0.434 186 I N 0.722 121.198 120.570 -0.157 0.000 2.353 186 I HA -0.091 4.078 4.170 -0.000 0.000 0.248 186 I C 2.531 178.595 176.117 -0.089 0.000 1.119 186 I CA 1.180 62.425 61.300 -0.090 0.000 1.417 186 I CB -1.530 36.431 38.000 -0.064 0.000 1.078 186 I HN 0.248 nan 8.210 nan 0.000 0.421 187 A N 1.263 124.016 122.820 -0.111 0.000 1.902 187 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 187 A C 2.173 179.698 177.584 -0.097 0.000 1.181 187 A CA 2.201 54.183 52.037 -0.092 0.000 0.623 187 A CB -1.056 17.888 19.000 -0.092 0.000 0.818 187 A HN 0.483 nan 8.150 nan 0.000 0.443 188 N N -0.083 118.528 118.700 -0.149 0.000 2.166 188 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 188 N C 1.696 177.160 175.510 -0.077 0.000 1.019 188 N CA 1.881 54.844 53.050 -0.145 0.000 0.856 188 N CB -0.510 37.810 38.487 -0.278 0.000 0.993 188 N HN 0.304 nan 8.380 nan 0.000 0.426 189 G N -0.182 108.581 108.800 -0.061 0.000 2.443 189 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 189 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 189 G C 1.302 176.192 174.900 -0.018 0.000 1.131 189 G CA 0.474 45.563 45.100 -0.018 0.000 0.775 189 G HN 0.340 nan 8.290 nan 0.000 0.547 190 M N 0.219 119.802 119.600 -0.029 0.000 2.659 190 M HA 0.216 4.696 4.480 -0.000 0.000 0.243 190 M C 1.853 178.141 176.300 -0.020 0.000 1.111 190 M CA 0.805 56.092 55.300 -0.022 0.000 1.070 190 M CB 0.424 33.009 32.600 -0.025 0.000 1.525 190 M HN 0.362 nan 8.290 nan 0.000 0.517 191 G N 0.351 109.137 108.800 -0.023 0.000 2.176 191 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.232 191 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.232 191 G C 0.216 175.105 174.900 -0.018 0.000 0.986 191 G CA -0.093 44.997 45.100 -0.016 0.000 0.643 191 G HN 0.671 nan 8.290 nan 0.000 0.522 192 A N 0.210 123.014 122.820 -0.028 0.000 2.425 192 A HA 0.618 4.938 4.320 -0.000 0.000 0.242 192 A C 0.799 178.373 177.584 -0.016 0.000 1.077 192 A CA 1.213 53.235 52.037 -0.025 0.000 0.781 192 A CB 0.247 19.226 19.000 -0.035 0.000 1.020 192 A HN 0.842 nan 8.150 nan 0.000 0.494 193 T N 1.860 116.416 114.554 0.003 0.000 2.729 193 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 193 T C -0.199 174.524 174.700 0.039 0.000 0.928 193 T CA -0.132 61.995 62.100 0.045 0.000 1.045 193 T CB 0.180 69.077 68.868 0.048 0.000 0.902 193 T HN 0.410 nan 8.240 nan 0.000 0.500 194 V N 4.202 124.148 119.914 0.053 0.000 2.459 194 V HA 0.523 4.642 4.120 -0.000 0.000 0.295 194 V C 0.304 176.445 176.094 0.078 0.000 1.029 194 V CA -0.772 61.532 62.300 0.006 0.000 0.874 194 V CB 1.932 33.700 31.823 -0.091 0.000 0.985 194 V HN 0.894 nan 8.190 nan 0.000 0.438 195 T N 3.994 118.575 114.554 0.045 0.000 2.812 195 T HA 0.622 4.972 4.350 -0.000 0.000 0.282 195 T C -0.510 174.207 174.700 0.027 0.000 0.990 195 T CA -0.415 61.725 62.100 0.066 0.000 0.960 195 T CB 1.713 70.599 68.868 0.031 0.000 0.948 195 T HN 0.355 nan 8.240 nan 0.000 0.438 196 V N 4.453 124.389 119.914 0.038 0.000 2.495 196 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 196 V C -0.671 175.447 176.094 0.041 0.000 1.031 196 V CA -0.865 61.453 62.300 0.029 0.000 0.871 196 V CB 1.554 33.395 31.823 0.029 0.000 0.988 196 V HN 0.676 nan 8.190 nan 0.000 0.432 197 L N 4.503 125.741 121.223 0.025 0.000 2.322 197 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 197 L C -0.327 176.540 176.870 -0.006 0.000 1.014 197 L CA 0.142 54.987 54.840 0.008 0.000 0.815 197 L CB 1.684 43.737 42.059 -0.010 0.000 1.247 197 L HN 0.607 nan 8.230 nan 0.000 0.421 198 D N 0.889 121.273 120.400 -0.026 0.000 2.602 198 D HA 0.352 4.992 4.640 -0.000 0.000 0.236 198 D C 0.484 176.703 176.300 -0.136 0.000 1.209 198 D CA -0.437 53.538 54.000 -0.041 0.000 0.831 198 D CB 2.339 43.154 40.800 0.025 0.000 1.478 198 D HN 0.476 nan 8.370 nan 0.000 0.438 199 I N -0.748 119.737 120.570 -0.141 0.000 3.059 199 I HA 0.178 4.348 4.170 -0.000 0.000 0.270 199 I C 0.747 176.934 176.117 0.117 0.000 1.238 199 I CA 0.070 61.270 61.300 -0.166 0.000 1.478 199 I CB -0.034 37.900 38.000 -0.110 0.000 1.097 199 I HN -0.016 nan 8.210 nan 0.000 0.455 200 N N 2.532 121.284 118.700 0.086 0.000 2.439 200 N HA 0.250 4.989 4.740 -0.000 0.000 0.243 200 N C 0.741 176.330 175.510 0.131 0.000 1.088 200 N CA -0.004 53.111 53.050 0.108 0.000 0.940 200 N CB 0.859 39.387 38.487 0.069 0.000 1.180 200 N HN 0.318 nan 8.380 nan 0.000 0.505 201 I N 1.434 122.100 120.570 0.159 0.000 2.546 201 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 201 I C 1.210 177.382 176.117 0.092 0.000 1.163 201 I CA 0.593 61.980 61.300 0.144 0.000 1.457 201 I CB 0.062 38.130 38.000 0.113 0.000 1.092 201 I HN 0.395 nan 8.210 nan 0.000 0.434 202 D N 1.390 121.833 120.400 0.072 0.000 2.219 202 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 202 D C 2.074 178.407 176.300 0.054 0.000 0.970 202 D CA 1.042 55.074 54.000 0.052 0.000 0.851 202 D CB -0.035 40.788 40.800 0.038 0.000 0.943 202 D HN 0.369 nan 8.370 nan 0.000 0.488 203 K N 0.292 120.730 120.400 0.063 0.000 2.148 203 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 203 K C 2.263 178.918 176.600 0.092 0.000 1.050 203 K CA 0.444 56.771 56.287 0.067 0.000 0.942 203 K CB 0.054 32.594 32.500 0.066 0.000 0.724 203 K HN 0.164 nan 8.250 nan 0.000 0.446 204 L N 0.322 121.605 121.223 0.099 0.000 2.109 204 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 204 L C 2.406 179.337 176.870 0.102 0.000 1.086 204 L CA 0.990 55.896 54.840 0.110 0.000 0.760 204 L CB -0.362 41.769 42.059 0.119 0.000 0.910 204 L HN 0.116 nan 8.230 nan 0.000 0.437 205 R N -0.044 120.506 120.500 0.083 0.000 2.096 205 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 205 R C 2.326 178.667 176.300 0.069 0.000 1.127 205 R CA 1.304 57.445 56.100 0.068 0.000 0.968 205 R CB -0.295 30.034 30.300 0.048 0.000 0.861 205 R HN 0.470 nan 8.270 nan 0.000 0.440 206 Q N 0.589 120.428 119.800 0.066 0.000 2.045 206 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 206 Q C 2.253 178.328 176.000 0.126 0.000 0.991 206 Q CA 1.545 57.384 55.803 0.059 0.000 0.851 206 Q CB -0.215 28.540 28.738 0.029 0.000 0.911 206 Q HN 0.324 nan 8.270 nan 0.000 0.418 207 L N 0.348 121.692 121.223 0.202 0.000 2.079 207 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 207 L C 2.059 179.115 176.870 0.310 0.000 1.081 207 L CA 1.295 56.343 54.840 0.348 0.000 0.752 207 L CB -0.302 41.924 42.059 0.278 0.000 0.896 207 L HN 0.284 nan 8.230 nan 0.000 0.433 208 D N -0.461 120.044 120.400 0.175 0.000 2.144 208 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 208 D C 2.109 178.471 176.300 0.103 0.000 0.978 208 D CA 1.204 55.280 54.000 0.127 0.000 0.833 208 D CB 0.194 41.046 40.800 0.086 0.000 0.961 208 D HN 0.281 nan 8.370 nan 0.000 0.470 209 A N 0.320 123.185 122.820 0.076 0.000 1.854 209 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 209 A C 2.155 179.733 177.584 -0.011 0.000 1.192 209 A CA 1.615 53.669 52.037 0.027 0.000 0.611 209 A CB -0.877 18.129 19.000 0.010 0.000 0.832 209 A HN 0.347 nan 8.150 nan 0.000 0.442 210 E N -1.241 118.934 120.200 -0.043 0.000 2.118 210 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 210 E C 0.893 177.203 176.600 -0.483 0.000 0.992 210 E CA 1.467 57.696 56.400 -0.285 0.000 0.804 210 E CB -0.170 29.300 29.700 -0.382 0.000 0.741 210 E HN 0.639 nan 8.360 nan 0.000 0.458 211 F N -1.125 118.847 119.950 0.036 0.000 2.653 211 F HA 0.250 4.777 4.527 -0.000 0.000 0.304 211 F C 0.564 176.357 175.800 -0.012 0.000 1.092 211 F CA -0.378 57.627 58.000 0.008 0.000 1.279 211 F CB 0.335 39.332 39.000 -0.004 0.000 1.044 211 F HN -0.032 nan 8.300 nan 0.000 0.564 212 C N 2.160 121.520 119.300 0.099 0.000 4.028 212 C HA -0.078 4.381 4.460 -0.000 0.000 0.300 212 C C 1.789 176.809 174.990 0.049 0.000 1.399 212 C CA 0.512 59.563 59.018 0.055 0.000 2.051 212 C CB -1.852 25.906 27.740 0.030 0.000 1.318 212 C HN 1.125 nan 8.230 nan 0.000 0.696 213 G N 0.019 108.853 108.800 0.056 0.000 2.212 213 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.266 213 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.266 213 G C 0.899 175.723 174.900 -0.126 0.000 0.978 213 G CA 1.095 46.187 45.100 -0.014 0.000 0.632 213 G HN 0.886 nan 8.290 nan 0.000 0.537 214 R N 0.137 120.602 120.500 -0.058 0.000 2.081 214 R HA 0.142 4.482 4.340 -0.000 0.000 0.235 214 R C 1.208 177.338 176.300 -0.283 0.000 1.131 214 R CA 1.124 57.142 56.100 -0.137 0.000 0.960 214 R CB -0.184 30.113 30.300 -0.005 0.000 0.856 214 R HN 0.480 nan 8.270 nan 0.000 0.436 215 I N 2.073 122.519 120.570 -0.206 0.000 2.322 215 I HA 0.061 4.231 4.170 -0.000 0.000 0.292 215 I C -0.344 175.665 176.117 -0.180 0.000 1.060 215 I CA -0.427 60.724 61.300 -0.250 0.000 1.309 215 I CB 0.905 38.679 38.000 -0.377 0.000 1.415 215 I HN 0.247 nan 8.210 nan 0.000 0.492 216 H N 3.575 122.632 119.070 -0.022 0.000 2.815 216 H HA 0.208 4.764 4.556 -0.000 0.000 0.350 216 H C 0.354 175.692 175.328 0.016 0.000 1.080 216 H CA 0.152 56.203 56.048 0.006 0.000 1.433 216 H CB 0.554 30.317 29.762 0.001 0.000 1.432 216 H HN 0.551 nan 8.280 nan 0.000 0.592 217 T N 1.555 116.204 114.554 0.158 0.000 2.848 217 T HA 0.630 4.980 4.350 -0.000 0.000 0.285 217 T C -0.328 174.445 174.700 0.122 0.000 0.995 217 T CA -1.334 60.838 62.100 0.119 0.000 0.970 217 T CB 1.643 70.577 68.868 0.109 0.000 0.976 217 T HN 0.391 nan 8.240 nan 0.000 0.441 218 R N 1.858 122.423 120.500 0.107 0.000 2.621 218 R HA 0.305 4.645 4.340 -0.000 0.000 0.292 218 R C -1.092 175.292 176.300 0.139 0.000 0.969 218 R CA -0.884 55.287 56.100 0.118 0.000 0.887 218 R CB 1.732 32.083 30.300 0.085 0.000 1.180 218 R HN 0.888 nan 8.270 nan 0.000 0.450 219 Y N 1.140 121.470 120.300 0.051 0.000 2.712 219 Y HA -0.073 4.477 4.550 -0.000 0.000 0.333 219 Y C 0.617 176.548 175.900 0.052 0.000 1.225 219 Y CA 0.924 59.052 58.100 0.047 0.000 1.499 219 Y CB 0.744 39.228 38.460 0.040 0.000 1.288 219 Y HN 0.488 nan 8.280 nan 0.000 0.575 220 S N 4.723 120.062 115.700 -0.603 0.000 2.448 220 S HA 0.419 4.889 4.470 -0.000 0.000 0.279 220 S C -0.775 173.574 174.600 -0.417 0.000 1.195 220 S CA -0.156 57.813 58.200 -0.385 0.000 1.051 220 S CB -0.490 62.534 63.200 -0.293 0.000 0.948 220 S HN 0.738 nan 8.310 nan 0.000 0.493 221 S N 3.491 119.119 115.700 -0.119 0.000 2.618 221 S HA 0.740 5.210 4.470 -0.000 0.000 0.277 221 S C 0.946 175.573 174.600 0.044 0.000 1.138 221 S CA -0.382 57.815 58.200 -0.006 0.000 0.844 221 S CB 1.100 64.369 63.200 0.116 0.000 1.127 221 S HN 0.727 nan 8.310 nan 0.000 0.474 222 A N 0.814 123.673 122.820 0.066 0.000 1.917 222 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 222 A C 1.811 179.453 177.584 0.096 0.000 1.182 222 A CA 2.016 54.094 52.037 0.070 0.000 0.633 222 A CB -1.509 17.535 19.000 0.074 0.000 0.819 222 A HN 1.046 nan 8.150 nan 0.000 0.448 223 Y N 0.095 120.399 120.300 0.007 0.000 2.145 223 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 223 Y C 2.455 178.355 175.900 0.001 0.000 1.145 223 Y CA 2.320 60.423 58.100 0.004 0.000 1.148 223 Y CB -0.110 38.359 38.460 0.015 0.000 0.981 223 Y HN 0.407 nan 8.280 nan 0.000 0.507 224 E N 0.347 120.678 120.200 0.219 0.000 2.107 224 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 224 E C 2.120 178.729 176.600 0.015 0.000 0.982 224 E CA 1.147 57.619 56.400 0.119 0.000 0.809 224 E CB -0.489 29.294 29.700 0.138 0.000 0.756 224 E HN 0.600 nan 8.360 nan 0.000 0.459 225 L N 0.300 121.529 121.223 0.010 0.000 2.027 225 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 225 L C 2.141 178.986 176.870 -0.042 0.000 1.074 225 L CA 1.592 56.425 54.840 -0.012 0.000 0.745 225 L CB -0.170 41.889 42.059 0.001 0.000 0.898 225 L HN 0.155 nan 8.230 nan 0.000 0.433 226 E N -0.543 119.617 120.200 -0.067 0.000 2.070 226 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 226 E C 1.973 178.493 176.600 -0.134 0.000 1.004 226 E CA 1.341 57.676 56.400 -0.108 0.000 0.805 226 E CB -0.421 29.183 29.700 -0.161 0.000 0.744 226 E HN 0.689 nan 8.360 nan 0.000 0.451 227 G N 0.465 109.168 108.800 -0.162 0.000 2.402 227 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 227 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 227 G C 1.633 176.477 174.900 -0.092 0.000 1.162 227 G CA 0.791 45.802 45.100 -0.147 0.000 0.777 227 G HN 0.364 nan 8.290 nan 0.000 0.539 228 A N 0.173 122.952 122.820 -0.068 0.000 1.898 228 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 228 A C 2.584 180.133 177.584 -0.058 0.000 1.181 228 A CA 1.735 53.740 52.037 -0.054 0.000 0.620 228 A CB -0.658 18.322 19.000 -0.034 0.000 0.819 228 A HN 0.238 nan 8.150 nan 0.000 0.442 229 V N 0.203 120.080 119.914 -0.061 0.000 2.407 229 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 229 V C 2.410 178.465 176.094 -0.064 0.000 1.055 229 V CA 2.360 64.618 62.300 -0.070 0.000 1.049 229 V CB -0.660 31.117 31.823 -0.076 0.000 0.662 229 V HN 0.552 nan 8.190 nan 0.000 0.455 230 K N -0.230 120.133 120.400 -0.061 0.000 2.147 230 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 230 K C 2.196 178.770 176.600 -0.044 0.000 1.049 230 K CA 1.163 57.422 56.287 -0.046 0.000 0.936 230 K CB -0.167 32.295 32.500 -0.063 0.000 0.722 230 K HN 0.427 nan 8.250 nan 0.000 0.446 231 R N 0.271 120.740 120.500 -0.053 0.000 2.276 231 R HA 0.147 4.487 4.340 -0.000 0.000 0.196 231 R C 0.422 176.694 176.300 -0.046 0.000 0.961 231 R CA -0.041 56.030 56.100 -0.048 0.000 1.024 231 R CB 0.303 30.570 30.300 -0.055 0.000 0.940 231 R HN 0.027 nan 8.270 nan 0.000 0.480 232 A N 1.116 123.906 122.820 -0.050 0.000 2.340 232 A HA 0.109 4.429 4.320 -0.000 0.000 0.268 232 A C 0.145 177.700 177.584 -0.047 0.000 1.100 232 A CA -0.494 51.512 52.037 -0.052 0.000 0.803 232 A CB 0.537 19.500 19.000 -0.063 0.000 1.043 232 A HN 0.046 nan 8.150 nan 0.000 0.488 233 D N -0.052 120.322 120.400 -0.042 0.000 2.240 233 D HA 0.091 4.731 4.640 -0.000 0.000 0.206 233 D C -0.184 176.089 176.300 -0.044 0.000 0.963 233 D CA 1.008 54.986 54.000 -0.037 0.000 0.863 233 D CB 0.287 41.069 40.800 -0.030 0.000 0.973 233 D HN 0.323 nan 8.370 nan 0.000 0.501 234 L N 0.820 122.012 121.223 -0.052 0.000 2.470 234 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 234 L C -1.507 175.322 176.870 -0.069 0.000 0.964 234 L CA -0.718 54.087 54.840 -0.059 0.000 0.839 234 L CB 2.368 44.401 42.059 -0.044 0.000 1.276 234 L HN -0.359 nan 8.230 nan 0.000 0.403 235 V N 6.346 126.203 119.914 -0.096 0.000 2.448 235 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 235 V C -0.119 175.983 176.094 0.012 0.000 1.025 235 V CA -0.374 61.877 62.300 -0.081 0.000 0.859 235 V CB 1.718 33.418 31.823 -0.205 0.000 0.988 235 V HN 0.616 nan 8.190 nan 0.000 0.431 236 I N 4.020 124.623 120.570 0.055 0.000 2.354 236 I HA 0.480 4.650 4.170 -0.000 0.000 0.286 236 I C 0.864 177.055 176.117 0.123 0.000 1.007 236 I CA -0.281 61.069 61.300 0.083 0.000 1.167 236 I CB 1.635 39.642 38.000 0.011 0.000 1.320 236 I HN 0.725 nan 8.210 nan 0.000 0.458 237 G N 4.605 113.487 108.800 0.137 0.000 2.356 237 G HA2 0.512 4.472 3.960 -0.000 0.000 0.300 237 G HA3 0.512 4.472 3.960 -0.000 0.000 0.300 237 G C 0.220 175.059 174.900 -0.101 0.000 1.107 237 G CA -0.236 44.841 45.100 -0.039 0.000 0.960 237 G HN 0.788 nan 8.290 nan 0.000 0.418 238 A N 3.416 126.212 122.820 -0.040 0.000 2.674 238 A HA 0.546 4.866 4.320 -0.000 0.000 0.286 238 A C 0.125 177.698 177.584 -0.018 0.000 0.980 238 A CA -0.207 51.813 52.037 -0.029 0.000 1.028 238 A CB 0.496 19.497 19.000 0.001 0.000 1.199 238 A HN 0.548 nan 8.150 nan 0.000 0.499 239 V N 0.536 120.428 119.914 -0.037 0.000 2.567 239 V HA 0.541 4.661 4.120 -0.000 0.000 0.289 239 V C -0.373 175.709 176.094 -0.021 0.000 1.049 239 V CA -0.322 61.965 62.300 -0.021 0.000 0.969 239 V CB 1.475 33.285 31.823 -0.022 0.000 0.995 239 V HN 0.544 nan 8.190 nan 0.000 0.471 240 L N 5.703 126.923 121.223 -0.004 0.000 2.476 240 L HA 0.633 4.973 4.340 -0.000 0.000 0.269 240 L C -0.874 176.000 176.870 0.007 0.000 0.965 240 L CA -0.061 54.780 54.840 0.001 0.000 0.845 240 L CB 2.097 44.162 42.059 0.011 0.000 1.259 240 L HN 0.382 nan 8.230 nan 0.000 0.403 241 V N 6.613 126.531 119.914 0.006 0.000 2.328 241 V HA 0.435 4.555 4.120 -0.000 0.000 0.278 241 V C -1.975 174.127 176.094 0.013 0.000 1.021 241 V CA -1.585 60.721 62.300 0.010 0.000 0.838 241 V CB 1.065 32.893 31.823 0.008 0.000 0.999 241 V HN 0.704 nan 8.190 nan 0.000 0.447 242 P HA 0.081 nan 4.420 nan 0.000 0.255 242 P C 1.013 178.323 177.300 0.016 0.000 1.161 242 P CA 1.417 64.529 63.100 0.020 0.000 0.768 242 P CB 0.211 31.923 31.700 0.021 0.000 0.746 243 G N 1.945 110.756 108.800 0.018 0.000 2.153 243 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.252 243 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.252 243 G C 0.225 175.130 174.900 0.009 0.000 0.994 243 G CA 0.035 45.143 45.100 0.012 0.000 0.698 243 G HN 0.893 nan 8.290 nan 0.000 0.521 244 A N -0.859 121.967 122.820 0.010 0.000 2.515 244 A HA 0.808 5.128 4.320 -0.000 0.000 0.296 244 A C 0.161 177.748 177.584 0.004 0.000 1.094 244 A CA -0.619 51.422 52.037 0.006 0.000 0.718 244 A CB 1.176 20.179 19.000 0.006 0.000 1.307 244 A HN 0.257 nan 8.150 nan 0.000 0.408 245 K N 0.739 121.140 120.400 0.001 0.000 2.319 245 K HA 0.408 4.728 4.320 -0.000 0.000 0.265 245 K C 0.487 177.083 176.600 -0.007 0.000 1.000 245 K CA 0.242 56.526 56.287 -0.004 0.000 0.943 245 K CB 0.754 33.252 32.500 -0.004 0.000 0.950 245 K HN 0.840 nan 8.250 nan 0.000 0.485 246 A N 4.073 126.883 122.820 -0.018 0.000 2.546 246 A HA 0.128 4.448 4.320 -0.000 0.000 0.243 246 A C -1.907 175.673 177.584 -0.008 0.000 1.063 246 A CA -0.929 51.094 52.037 -0.023 0.000 0.757 246 A CB -0.587 18.381 19.000 -0.054 0.000 0.991 246 A HN 0.403 nan 8.150 nan 0.000 0.503 247 P HA 0.146 nan 4.420 nan 0.000 0.271 247 P C -0.877 176.442 177.300 0.032 0.000 1.218 247 P CA -0.186 62.925 63.100 0.017 0.000 0.780 247 P CB 0.596 32.306 31.700 0.017 0.000 0.901 248 K N 3.302 123.733 120.400 0.052 0.000 2.183 248 K HA 0.155 4.475 4.320 -0.000 0.000 0.272 248 K C 0.658 177.320 176.600 0.103 0.000 1.113 248 K CA -0.576 55.765 56.287 0.089 0.000 0.949 248 K CB 0.329 32.884 32.500 0.092 0.000 1.365 248 K HN 0.306 nan 8.250 nan 0.000 0.420 249 L N 1.621 122.917 121.223 0.123 0.000 2.307 249 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 249 L C 0.604 177.552 176.870 0.131 0.000 1.099 249 L CA 0.829 55.735 54.840 0.111 0.000 0.816 249 L CB 0.237 42.356 42.059 0.100 0.000 0.952 249 L HN 0.123 nan 8.230 nan 0.000 0.455 250 V N 0.450 120.487 119.914 0.206 0.000 2.293 250 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 250 V C 0.414 176.612 176.094 0.174 0.000 1.021 250 V CA -0.792 61.599 62.300 0.152 0.000 0.815 250 V CB 0.886 32.743 31.823 0.055 0.000 1.025 250 V HN 0.318 nan 8.190 nan 0.000 0.448 251 S N 3.541 119.318 115.700 0.127 0.000 2.603 251 S HA 0.211 4.681 4.470 -0.000 0.000 0.268 251 S C 1.033 175.722 174.600 0.149 0.000 1.317 251 S CA -0.493 57.785 58.200 0.131 0.000 1.012 251 S CB 0.823 64.082 63.200 0.098 0.000 0.926 251 S HN 0.584 nan 8.310 nan 0.000 0.539 252 N N 1.497 120.289 118.700 0.154 0.000 2.223 252 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 252 N C 1.858 177.487 175.510 0.198 0.000 1.016 252 N CA 1.369 54.535 53.050 0.194 0.000 0.863 252 N CB -0.839 37.742 38.487 0.158 0.000 0.983 252 N HN 0.732 nan 8.380 nan 0.000 0.429 253 S N 0.404 116.178 115.700 0.122 0.000 2.382 253 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 253 S C 1.786 176.451 174.600 0.110 0.000 1.027 253 S CA 0.583 58.824 58.200 0.068 0.000 0.991 253 S CB -0.222 63.027 63.200 0.082 0.000 0.823 253 S HN 0.239 nan 8.310 nan 0.000 0.469 254 L N 1.689 122.990 121.223 0.129 0.000 2.093 254 L HA 0.094 4.434 4.340 -0.000 0.000 0.208 254 L C 2.270 179.205 176.870 0.108 0.000 1.085 254 L CA 1.547 56.470 54.840 0.137 0.000 0.755 254 L CB -0.896 41.201 42.059 0.064 0.000 0.904 254 L HN 0.217 nan 8.230 nan 0.000 0.435 255 V N 0.347 120.323 119.914 0.104 0.000 2.392 255 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 255 V C 2.818 178.938 176.094 0.043 0.000 1.059 255 V CA 1.520 63.894 62.300 0.124 0.000 1.051 255 V CB -1.419 30.557 31.823 0.256 0.000 0.658 255 V HN 0.611 nan 8.190 nan 0.000 0.455 256 A N -0.877 121.847 122.820 -0.159 0.000 2.076 256 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 256 A C 1.867 179.234 177.584 -0.362 0.000 1.160 256 A CA 1.957 53.693 52.037 -0.502 0.000 0.653 256 A CB -0.730 17.765 19.000 -0.842 0.000 0.801 256 A HN 0.744 nan 8.150 nan 0.000 0.455 257 H N -1.661 117.343 119.070 -0.109 0.000 2.539 257 H HA 0.321 4.877 4.556 -0.000 0.000 0.269 257 H C 0.642 175.934 175.328 -0.060 0.000 0.980 257 H CA -0.157 55.843 56.048 -0.080 0.000 1.152 257 H CB 0.004 29.722 29.762 -0.074 0.000 1.407 257 H HN 0.411 nan 8.280 nan 0.000 0.564 258 M N 0.936 120.560 119.600 0.039 0.000 2.228 258 M HA 0.096 4.576 4.480 -0.000 0.000 0.326 258 M C 0.279 176.580 176.300 0.003 0.000 1.122 258 M CA 0.024 55.333 55.300 0.015 0.000 1.161 258 M CB 0.817 33.419 32.600 0.004 0.000 1.437 258 M HN 0.063 nan 8.290 nan 0.000 0.465 259 K N 1.787 122.183 120.400 -0.005 0.000 2.448 259 K HA 0.131 4.451 4.320 -0.000 0.000 0.278 259 K C -2.372 174.226 176.600 -0.003 0.000 1.009 259 K CA -1.230 55.052 56.287 -0.007 0.000 0.995 259 K CB -0.424 32.068 32.500 -0.014 0.000 0.917 259 K HN 0.247 nan 8.250 nan 0.000 0.481 260 P HA -0.038 nan 4.420 nan 0.000 0.267 260 P C 0.575 177.878 177.300 0.005 0.000 1.205 260 P CA 0.644 63.747 63.100 0.005 0.000 0.765 260 P CB 0.663 32.364 31.700 0.001 0.000 0.828 261 G N 2.013 110.821 108.800 0.013 0.000 2.176 261 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 261 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 261 G C 0.484 175.388 174.900 0.008 0.000 0.979 261 G CA -0.052 45.056 45.100 0.013 0.000 0.641 261 G HN 0.843 nan 8.290 nan 0.000 0.530 262 A N -0.404 122.417 122.820 0.002 0.000 2.520 262 A HA 0.547 4.867 4.320 -0.000 0.000 0.235 262 A C 0.575 178.150 177.584 -0.016 0.000 1.065 262 A CA 0.916 52.944 52.037 -0.015 0.000 0.764 262 A CB 0.669 19.652 19.000 -0.028 0.000 1.002 262 A HN 1.233 nan 8.150 nan 0.000 0.502 263 V N 3.078 122.971 119.914 -0.036 0.000 2.417 263 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 263 V C -0.585 175.435 176.094 -0.123 0.000 1.024 263 V CA -0.295 61.978 62.300 -0.045 0.000 0.861 263 V CB 1.170 32.992 31.823 -0.001 0.000 0.985 263 V HN 0.668 nan 8.190 nan 0.000 0.436 264 L N 5.719 126.812 121.223 -0.216 0.000 2.319 264 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 264 L C -0.315 176.483 176.870 -0.120 0.000 1.005 264 L CA -0.209 54.413 54.840 -0.362 0.000 0.828 264 L CB 1.863 43.306 42.059 -1.028 0.000 1.227 264 L HN 0.376 nan 8.230 nan 0.000 0.415 265 V N 1.978 121.930 119.914 0.064 0.000 2.328 265 V HA 0.285 4.405 4.120 -0.000 0.000 0.278 265 V C -0.411 175.755 176.094 0.120 0.000 1.021 265 V CA -0.472 61.896 62.300 0.113 0.000 0.838 265 V CB 1.435 33.251 31.823 -0.012 0.000 0.999 265 V HN 0.591 nan 8.190 nan 0.000 0.447 266 D N 4.543 124.940 120.400 -0.005 0.000 2.479 266 D HA 0.354 4.994 4.640 -0.000 0.000 0.218 266 D C 1.116 177.310 176.300 -0.177 0.000 1.131 266 D CA -0.202 53.568 54.000 -0.384 0.000 0.916 266 D CB 0.983 41.427 40.800 -0.593 0.000 1.022 266 D HN 0.453 nan 8.370 nan 0.000 0.515 267 I N 1.763 122.254 120.570 -0.132 0.000 2.286 267 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 267 I C 2.022 178.074 176.117 -0.107 0.000 1.115 267 I CA 0.682 61.939 61.300 -0.072 0.000 1.392 267 I CB -0.131 37.844 38.000 -0.043 0.000 1.065 267 I HN 0.340 nan 8.210 nan 0.000 0.418 268 A N 0.586 123.306 122.820 -0.168 0.000 2.258 268 A HA -0.033 4.287 4.320 -0.000 0.000 0.206 268 A C 2.000 179.498 177.584 -0.143 0.000 1.222 268 A CA 0.312 52.260 52.037 -0.147 0.000 0.822 268 A CB -0.727 18.178 19.000 -0.159 0.000 0.804 268 A HN 0.358 nan 8.150 nan 0.000 0.483 269 I N 1.131 121.616 120.570 -0.141 0.000 2.530 269 I HA -0.211 3.959 4.170 -0.000 0.000 0.257 269 I C 1.610 177.669 176.117 -0.098 0.000 1.179 269 I CA 1.697 62.933 61.300 -0.105 0.000 1.440 269 I CB -0.223 37.728 38.000 -0.081 0.000 1.087 269 I HN 0.531 nan 8.210 nan 0.000 0.440 270 D N -0.451 119.882 120.400 -0.111 0.000 2.378 270 D HA -0.158 4.482 4.640 -0.000 0.000 0.227 270 D C 1.089 177.320 176.300 -0.115 0.000 1.012 270 D CA 0.723 54.641 54.000 -0.137 0.000 0.905 270 D CB -0.215 40.482 40.800 -0.172 0.000 0.895 270 D HN 0.523 nan 8.370 nan 0.000 0.532 271 Q N -1.100 118.650 119.800 -0.084 0.000 1.932 271 Q HA 0.283 4.623 4.340 -0.000 0.000 0.191 271 Q C 0.370 176.342 176.000 -0.045 0.000 0.777 271 Q CA 0.231 56.000 55.803 -0.057 0.000 0.953 271 Q CB 1.695 30.407 28.738 -0.044 0.000 1.231 271 Q HN 0.334 nan 8.270 nan 0.000 0.418 272 G N 0.149 108.919 108.800 -0.050 0.000 4.713 272 G HA2 0.418 4.378 3.960 -0.000 0.000 0.227 272 G HA3 0.418 4.378 3.960 -0.000 0.000 0.227 272 G C 0.001 174.878 174.900 -0.037 0.000 2.776 272 G CA 0.246 45.319 45.100 -0.045 0.000 0.692 272 G HN 0.403 nan 8.290 nan 0.000 0.221 273 G N -1.157 107.596 108.800 -0.078 0.000 2.911 273 G HA2 0.228 4.188 3.960 -0.000 0.000 0.686 273 G HA3 0.228 4.188 3.960 -0.000 0.000 0.686 273 G C 0.806 175.627 174.900 -0.131 0.000 1.136 273 G CA -0.080 44.944 45.100 -0.126 0.000 0.764 273 G HN 1.784 nan 8.290 nan 0.000 0.626 274 C N 0.656 119.788 119.300 -0.280 0.000 2.906 274 C HA 0.693 5.153 4.460 -0.000 0.000 0.274 274 C C 0.960 175.964 174.990 0.024 0.000 1.257 274 C CA -0.898 58.025 59.018 -0.158 0.000 1.695 274 C CB -1.746 25.894 27.740 -0.167 0.000 1.958 274 C HN 0.534 nan 8.230 nan 0.000 0.619 275 F N 1.556 121.545 119.950 0.066 0.000 2.421 275 F HA 0.360 4.887 4.527 -0.000 0.000 0.337 275 F C 1.708 177.623 175.800 0.191 0.000 1.105 275 F CA -0.754 57.328 58.000 0.137 0.000 1.049 275 F CB 0.892 39.994 39.000 0.171 0.000 1.139 275 F HN 0.127 nan 8.300 nan 0.000 0.479 276 E N 2.455 122.874 120.200 0.364 0.000 2.097 276 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 276 E C 2.045 178.784 176.600 0.231 0.000 1.000 276 E CA 1.504 58.043 56.400 0.232 0.000 0.804 276 E CB -0.142 29.660 29.700 0.170 0.000 0.740 276 E HN 0.947 nan 8.360 nan 0.000 0.454 277 G N 0.039 109.031 108.800 0.320 0.000 2.920 277 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.208 277 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.208 277 G C 0.286 175.389 174.900 0.338 0.000 1.159 277 G CA -0.088 45.096 45.100 0.140 0.000 0.784 277 G HN 0.063 nan 8.290 nan 0.000 0.535 278 S N 0.517 116.557 115.700 0.567 0.000 2.533 278 S HA 0.479 4.949 4.470 -0.000 0.000 0.282 278 S C 0.241 175.029 174.600 0.313 0.000 1.304 278 S CA 0.012 58.555 58.200 0.571 0.000 1.063 278 S CB 0.980 64.388 63.200 0.346 0.000 0.881 278 S HN 0.395 nan 8.310 nan 0.000 0.493 279 R N 2.270 122.971 120.500 0.335 0.000 2.651 279 R HA 0.374 4.714 4.340 -0.000 0.000 0.278 279 R C -3.115 173.246 176.300 0.102 0.000 1.010 279 R CA -2.212 53.928 56.100 0.066 0.000 0.896 279 R CB 1.529 31.708 30.300 -0.202 0.000 1.211 279 R HN 0.315 nan 8.270 nan 0.000 0.456 280 P HA -0.033 nan 4.420 nan 0.000 0.263 280 P C -0.255 177.032 177.300 -0.023 0.000 1.195 280 P CA 0.229 63.317 63.100 -0.020 0.000 0.762 280 P CB 0.632 32.295 31.700 -0.061 0.000 0.799 281 T N -0.201 114.325 114.554 -0.046 0.000 2.910 281 T HA 0.764 5.114 4.350 -0.000 0.000 0.279 281 T C 0.126 174.704 174.700 -0.202 0.000 0.989 281 T CA -0.603 61.450 62.100 -0.077 0.000 0.968 281 T CB 1.152 69.986 68.868 -0.057 0.000 1.135 281 T HN 0.449 nan 8.240 nan 0.000 0.562 282 T N -2.400 112.044 114.554 -0.184 0.000 2.907 282 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 282 T C 0.224 174.778 174.700 -0.244 0.000 1.066 282 T CA -0.906 61.062 62.100 -0.220 0.000 1.012 282 T CB 0.903 69.728 68.868 -0.071 0.000 1.184 282 T HN 0.555 nan 8.240 nan 0.000 0.522 283 Y N 0.180 120.448 120.300 -0.054 0.000 2.352 283 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 283 Y C 2.143 178.013 175.900 -0.050 0.000 1.136 283 Y CA 0.955 59.040 58.100 -0.025 0.000 1.227 283 Y CB -0.090 38.371 38.460 0.001 0.000 0.991 283 Y HN 0.627 nan 8.280 nan 0.000 0.545 284 D N -1.541 118.859 120.400 -0.001 0.000 2.117 284 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 284 D C 0.301 176.334 176.300 -0.445 0.000 0.982 284 D CA 1.445 55.291 54.000 -0.256 0.000 0.828 284 D CB -0.087 40.481 40.800 -0.387 0.000 0.967 284 D HN 0.324 nan 8.370 nan 0.000 0.464 285 H N -1.048 118.052 119.070 0.050 0.000 2.569 285 H HA 0.221 4.777 4.556 -0.000 0.000 0.247 285 H C -1.875 173.451 175.328 -0.003 0.000 1.346 285 H CA -1.341 54.733 56.048 0.043 0.000 1.502 285 H CB 1.620 31.403 29.762 0.035 0.000 1.512 285 H HN 0.064 nan 8.280 nan 0.000 0.502 286 P HA -0.040 nan 4.420 nan 0.000 0.230 286 P C 0.718 177.889 177.300 -0.215 0.000 1.168 286 P CA 0.766 63.756 63.100 -0.183 0.000 0.793 286 P CB 0.562 32.201 31.700 -0.102 0.000 0.851 287 T N -1.775 112.752 114.554 -0.045 0.000 2.908 287 T HA 0.701 5.051 4.350 -0.000 0.000 0.290 287 T C -0.686 174.071 174.700 0.095 0.000 1.034 287 T CA -0.876 61.183 62.100 -0.068 0.000 1.010 287 T CB 1.666 70.461 68.868 -0.121 0.000 1.068 287 T HN 0.039 nan 8.240 nan 0.000 0.481 288 F N -0.856 119.115 119.950 0.035 0.000 2.645 288 F HA 0.860 5.387 4.527 -0.000 0.000 0.310 288 F C -0.509 175.288 175.800 -0.004 0.000 1.102 288 F CA -1.854 56.145 58.000 -0.002 0.000 0.952 288 F CB 0.929 39.904 39.000 -0.043 0.000 1.326 288 F HN 0.858 nan 8.300 nan 0.000 0.456 289 A N 1.717 124.629 122.820 0.153 0.000 2.409 289 A HA 0.585 4.905 4.320 -0.000 0.000 0.262 289 A C -0.686 176.888 177.584 -0.017 0.000 1.113 289 A CA -0.213 51.843 52.037 0.032 0.000 0.790 289 A CB 0.728 19.746 19.000 0.029 0.000 1.046 289 A HN 1.741 nan 8.150 nan 0.000 0.496 290 V N 5.279 125.089 119.914 -0.175 0.000 2.443 290 V HA 0.592 4.712 4.120 -0.000 0.000 0.293 290 V C 0.389 176.369 176.094 -0.190 0.000 1.021 290 V CA -0.283 61.817 62.300 -0.332 0.000 0.848 290 V CB 0.019 31.423 31.823 -0.698 0.000 0.998 290 V HN 1.164 nan 8.190 nan 0.000 0.424 291 H N 3.729 122.755 119.070 -0.073 0.000 1.452 291 H HA -0.199 4.357 4.556 -0.000 0.000 0.090 291 H C 0.025 175.335 175.328 -0.030 0.000 0.973 291 H CA 1.715 57.733 56.048 -0.049 0.000 1.901 291 H CB -0.866 28.863 29.762 -0.054 0.000 2.257 291 H HN 0.844 nan 8.280 nan 0.000 0.961 292 D N 1.942 122.420 120.400 0.130 0.000 2.706 292 D HA 0.230 4.870 4.640 -0.000 0.000 0.236 292 D C 0.056 176.389 176.300 0.054 0.000 1.231 292 D CA 0.362 54.398 54.000 0.060 0.000 0.828 292 D CB 0.339 41.159 40.800 0.034 0.000 1.015 292 D HN 0.132 nan 8.370 nan 0.000 0.484 293 T N 0.206 114.801 114.554 0.068 0.000 2.916 293 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 293 T C -0.590 174.160 174.700 0.085 0.000 1.055 293 T CA -0.497 61.654 62.100 0.084 0.000 1.009 293 T CB 1.963 70.917 68.868 0.144 0.000 1.118 293 T HN -0.055 nan 8.240 nan 0.000 0.497 294 L N 2.782 124.058 121.223 0.088 0.000 2.325 294 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 294 L C -1.178 175.742 176.870 0.084 0.000 1.004 294 L CA -0.744 54.127 54.840 0.052 0.000 0.823 294 L CB 0.998 43.072 42.059 0.024 0.000 1.236 294 L HN 0.523 nan 8.230 nan 0.000 0.415 295 F N 2.808 122.507 119.950 -0.418 0.000 2.421 295 F HA 0.335 4.862 4.527 -0.000 0.000 0.337 295 F C -0.266 175.292 175.800 -0.403 0.000 1.105 295 F CA -0.627 57.083 58.000 -0.483 0.000 1.049 295 F CB 1.224 39.655 39.000 -0.949 0.000 1.139 295 F HN 0.229 nan 8.300 nan 0.000 0.479 296 Y N 3.019 123.203 120.300 -0.193 0.000 2.326 296 Y HA 0.493 5.043 4.550 -0.000 0.000 0.331 296 Y C -1.039 174.823 175.900 -0.064 0.000 0.962 296 Y CA -0.916 57.096 58.100 -0.146 0.000 1.167 296 Y CB 1.077 39.449 38.460 -0.146 0.000 1.148 296 Y HN 0.576 nan 8.280 nan 0.000 0.463 297 C N 7.231 126.401 119.300 -0.217 0.000 3.495 297 C HA 0.419 4.879 4.460 -0.000 0.000 0.201 297 C C -0.289 174.576 174.990 -0.208 0.000 1.408 297 C CA -1.132 57.839 59.018 -0.079 0.000 1.367 297 C CB -1.143 26.656 27.740 0.098 0.000 1.845 297 C HN 0.691 nan 8.230 nan 0.000 0.500 298 V N 1.039 120.767 119.914 -0.310 0.000 2.439 298 V HA 0.819 4.939 4.120 -0.000 0.000 0.282 298 V C 0.700 176.698 176.094 -0.160 0.000 1.039 298 V CA 0.371 62.477 62.300 -0.323 0.000 0.913 298 V CB 1.492 32.961 31.823 -0.590 0.000 0.983 298 V HN 0.650 nan 8.190 nan 0.000 0.460 299 A N 4.318 127.038 122.820 -0.167 0.000 2.178 299 A HA 0.294 4.614 4.320 -0.000 0.000 0.211 299 A C 0.987 178.508 177.584 -0.105 0.000 1.157 299 A CA 0.417 52.379 52.037 -0.126 0.000 0.780 299 A CB -0.413 18.507 19.000 -0.134 0.000 0.828 299 A HN 0.817 nan 8.150 nan 0.000 0.476 300 N N -0.399 118.251 118.700 -0.083 0.000 2.660 300 N HA 0.349 5.089 4.740 -0.000 0.000 0.316 300 N C 0.694 176.282 175.510 0.129 0.000 1.774 300 N CA -0.099 52.955 53.050 0.007 0.000 0.946 300 N CB 0.287 38.797 38.487 0.038 0.000 1.322 300 N HN 0.366 nan 8.380 nan 0.000 0.492 301 M N 0.159 119.823 119.600 0.106 0.000 2.080 301 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 301 M C -0.692 175.734 176.300 0.209 0.000 1.068 301 M CA 2.122 57.545 55.300 0.204 0.000 1.109 301 M CB -1.159 31.532 32.600 0.152 0.000 1.342 301 M HN 0.053 nan 8.290 nan 0.000 0.405 302 P HA -0.105 nan 4.420 nan 0.000 0.219 302 P C 0.915 178.300 177.300 0.141 0.000 1.146 302 P CA 1.639 64.812 63.100 0.121 0.000 0.808 302 P CB -0.220 31.534 31.700 0.091 0.000 0.779 303 A N -0.734 122.182 122.820 0.160 0.000 2.076 303 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 303 A C 2.326 179.989 177.584 0.132 0.000 1.160 303 A CA 1.780 53.907 52.037 0.151 0.000 0.653 303 A CB -1.526 17.543 19.000 0.115 0.000 0.801 303 A HN 0.118 nan 8.150 nan 0.000 0.455 304 S N -1.040 114.714 115.700 0.090 0.000 2.400 304 S HA -0.076 4.394 4.470 -0.000 0.000 0.232 304 S C 0.976 175.592 174.600 0.028 0.000 1.025 304 S CA 1.454 59.639 58.200 -0.025 0.000 0.993 304 S CB -0.317 62.936 63.200 0.088 0.000 0.808 304 S HN 0.943 nan 8.310 nan 0.000 0.478 305 V N -1.089 118.868 119.914 0.071 0.000 2.320 305 V HA 0.399 4.519 4.120 -0.000 0.000 0.257 305 V C -2.530 173.613 176.094 0.083 0.000 0.996 305 V CA -1.730 60.601 62.300 0.052 0.000 0.928 305 V CB 0.879 32.726 31.823 0.041 0.000 1.169 305 V HN -0.015 nan 8.190 nan 0.000 0.475 306 P HA -0.083 nan 4.420 nan 0.000 0.217 306 P C 1.675 179.059 177.300 0.141 0.000 1.151 306 P CA 1.298 64.481 63.100 0.139 0.000 0.828 306 P CB 0.405 32.200 31.700 0.160 0.000 0.788 307 K N -0.198 120.260 120.400 0.096 0.000 2.074 307 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 307 K C 1.833 178.518 176.600 0.142 0.000 1.048 307 K CA 2.238 58.590 56.287 0.109 0.000 0.926 307 K CB -1.245 31.254 32.500 -0.001 0.000 0.713 307 K HN 0.023 nan 8.250 nan 0.000 0.444 308 T N -0.439 114.167 114.554 0.087 0.000 2.732 308 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 308 T C 2.045 176.840 174.700 0.159 0.000 1.040 308 T CA 1.506 63.661 62.100 0.090 0.000 1.145 308 T CB -0.382 68.517 68.868 0.052 0.000 0.866 308 T HN 0.180 nan 8.240 nan 0.000 0.427 309 S N 0.882 116.668 115.700 0.145 0.000 2.368 309 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 309 S C 2.397 177.088 174.600 0.152 0.000 1.029 309 S CA 1.283 59.568 58.200 0.141 0.000 0.988 309 S CB -0.607 62.673 63.200 0.134 0.000 0.838 309 S HN 0.505 nan 8.310 nan 0.000 0.462 310 T N 0.894 115.551 114.554 0.171 0.000 2.684 310 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 310 T C 1.451 176.171 174.700 0.034 0.000 1.036 310 T CA 1.461 63.626 62.100 0.108 0.000 1.148 310 T CB -0.442 68.488 68.868 0.104 0.000 0.863 310 T HN 0.464 nan 8.240 nan 0.000 0.436 311 Y N 1.285 121.613 120.300 0.046 0.000 2.145 311 Y HA -0.047 4.503 4.550 0.000 0.000 0.286 311 Y C 2.760 178.679 175.900 0.031 0.000 1.145 311 Y CA 0.876 58.997 58.100 0.035 0.000 1.148 311 Y CB -0.626 37.849 38.460 0.024 0.000 0.981 311 Y HN 0.187 nan 8.280 nan 0.000 0.507 312 A N -0.126 122.803 122.820 0.182 0.000 1.883 312 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 312 A C 2.166 179.788 177.584 0.064 0.000 1.186 312 A CA 1.948 54.053 52.037 0.114 0.000 0.624 312 A CB -1.078 17.988 19.000 0.109 0.000 0.822 312 A HN 0.452 nan 8.150 nan 0.000 0.444 313 L N 0.227 121.480 121.223 0.050 0.000 2.044 313 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 313 L C 2.707 179.511 176.870 -0.109 0.000 1.075 313 L CA 2.987 57.816 54.840 -0.018 0.000 0.747 313 L CB -0.938 41.137 42.059 0.027 0.000 0.903 313 L HN 0.545 nan 8.230 nan 0.000 0.435 314 T N -3.589 110.914 114.554 -0.087 0.000 2.951 314 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 314 T C 1.760 176.421 174.700 -0.064 0.000 1.073 314 T CA 0.974 63.007 62.100 -0.111 0.000 1.134 314 T CB -0.631 68.165 68.868 -0.119 0.000 0.884 314 T HN 0.295 nan 8.240 nan 0.000 0.479 315 N N 2.396 121.083 118.700 -0.022 0.000 2.166 315 N HA 0.057 4.797 4.740 -0.000 0.000 0.186 315 N C 2.145 177.661 175.510 0.010 0.000 1.019 315 N CA 1.540 54.598 53.050 0.013 0.000 0.856 315 N CB -0.750 37.770 38.487 0.054 0.000 0.993 315 N HN 0.644 nan 8.380 nan 0.000 0.426 316 A N 0.223 123.042 122.820 -0.002 0.000 1.897 316 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 316 A C 2.314 179.932 177.584 0.055 0.000 1.181 316 A CA 2.009 54.059 52.037 0.022 0.000 0.620 316 A CB -1.021 17.978 19.000 -0.001 0.000 0.821 316 A HN 0.485 nan 8.150 nan 0.000 0.443 317 T N -3.122 111.389 114.554 -0.071 0.000 3.023 317 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 317 T C 1.861 176.645 174.700 0.140 0.000 1.093 317 T CA 1.269 63.344 62.100 -0.041 0.000 1.129 317 T CB -0.411 68.201 68.868 -0.427 0.000 0.899 317 T HN 0.315 nan 8.240 nan 0.000 0.491 318 M N 2.024 121.654 119.600 0.049 0.000 2.088 318 M HA -0.055 4.425 4.480 -0.000 0.000 0.256 318 M C -0.755 175.568 176.300 0.037 0.000 1.071 318 M CA 2.209 57.534 55.300 0.042 0.000 1.097 318 M CB -0.814 31.793 32.600 0.011 0.000 1.315 318 M HN 0.212 nan 8.290 nan 0.000 0.406 319 P HA -0.159 nan 4.420 nan 0.000 0.218 319 P C 0.870 178.065 177.300 -0.175 0.000 1.149 319 P CA 1.643 64.653 63.100 -0.150 0.000 0.817 319 P CB -0.415 31.113 31.700 -0.287 0.000 0.785 320 Y N -0.066 120.293 120.300 0.097 0.000 2.200 320 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 320 Y C 2.683 178.649 175.900 0.111 0.000 1.137 320 Y CA 0.688 58.864 58.100 0.126 0.000 1.163 320 Y CB -1.516 37.110 38.460 0.276 0.000 0.988 320 Y HN -0.280 nan 8.280 nan 0.000 0.518 321 V N 0.411 120.530 119.914 0.341 0.000 2.332 321 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 321 V C 2.244 178.368 176.094 0.050 0.000 1.055 321 V CA 1.748 64.177 62.300 0.216 0.000 1.038 321 V CB -0.790 31.149 31.823 0.193 0.000 0.651 321 V HN 0.412 nan 8.190 nan 0.000 0.450 322 L N -0.503 120.741 121.223 0.035 0.000 2.046 322 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 322 L C 2.748 179.613 176.870 -0.007 0.000 1.077 322 L CA 1.331 56.169 54.840 -0.004 0.000 0.747 322 L CB -0.631 41.436 42.059 0.012 0.000 0.896 322 L HN 0.311 nan 8.230 nan 0.000 0.432 323 E N 0.235 120.455 120.200 0.032 0.000 2.106 323 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 323 E C 2.356 179.000 176.600 0.072 0.000 0.984 323 E CA 1.034 57.495 56.400 0.103 0.000 0.806 323 E CB -0.263 29.491 29.700 0.089 0.000 0.750 323 E HN 0.470 nan 8.360 nan 0.000 0.458 324 L N 0.471 121.695 121.223 0.002 0.000 2.046 324 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 324 L C 2.522 179.339 176.870 -0.089 0.000 1.077 324 L CA 1.261 56.076 54.840 -0.041 0.000 0.747 324 L CB -0.510 41.485 42.059 -0.106 0.000 0.896 324 L HN 0.055 nan 8.230 nan 0.000 0.432 325 A N -0.298 122.412 122.820 -0.182 0.000 1.873 325 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 325 A C 1.945 179.334 177.584 -0.326 0.000 1.186 325 A CA 1.910 53.697 52.037 -0.417 0.000 0.616 325 A CB -0.496 18.031 19.000 -0.789 0.000 0.823 325 A HN 0.331 nan 8.150 nan 0.000 0.442 326 D N -1.344 118.932 120.400 -0.207 0.000 2.178 326 D HA -0.068 4.572 4.640 -0.000 0.000 0.202 326 D C 1.169 177.174 176.300 -0.491 0.000 0.974 326 D CA 1.153 54.994 54.000 -0.264 0.000 0.841 326 D CB -0.131 40.391 40.800 -0.464 0.000 0.953 326 D HN 0.637 nan 8.370 nan 0.000 0.478 327 H N -1.557 117.507 119.070 -0.011 0.000 3.360 327 H HA 0.384 4.940 4.556 -0.000 0.000 0.262 327 H C 1.132 176.412 175.328 -0.081 0.000 1.149 327 H CA 0.584 56.607 56.048 -0.041 0.000 1.181 327 H CB 1.108 30.840 29.762 -0.050 0.000 1.564 327 H HN 0.073 nan 8.280 nan 0.000 0.565 328 G N 1.518 110.324 108.800 0.010 0.000 2.814 328 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.677 328 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.677 328 G C 0.973 175.842 174.900 -0.051 0.000 1.429 328 G CA -0.081 44.999 45.100 -0.034 0.000 0.868 328 G HN 0.448 nan 8.290 nan 0.000 0.553 329 W N 1.231 122.480 121.300 -0.086 0.000 2.381 329 W HA -0.067 4.593 4.660 -0.000 0.000 0.301 329 W C 1.973 178.425 176.519 -0.113 0.000 1.205 329 W CA 1.405 58.676 57.345 -0.123 0.000 1.285 329 W CB -0.583 28.788 29.460 -0.149 0.000 1.133 329 W HN 0.784 nan 8.180 nan 0.000 0.521 330 R N 1.521 121.336 120.500 -1.143 0.000 2.066 330 R HA -0.091 4.248 4.340 -0.000 0.000 0.232 330 R C 2.675 178.699 176.300 -0.461 0.000 1.131 330 R CA 2.192 57.602 56.100 -1.149 0.000 0.955 330 R CB -0.705 28.728 30.300 -1.445 0.000 0.851 330 R HN 0.153 nan 8.270 nan 0.000 0.432 331 A N 0.803 123.413 122.820 -0.350 0.000 1.902 331 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 331 A C 2.365 179.866 177.584 -0.139 0.000 1.181 331 A CA 1.665 53.581 52.037 -0.202 0.000 0.623 331 A CB -0.823 18.090 19.000 -0.144 0.000 0.818 331 A HN 0.544 nan 8.150 nan 0.000 0.443 332 A N -0.875 121.897 122.820 -0.080 0.000 1.883 332 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 332 A C 2.324 179.900 177.584 -0.013 0.000 1.186 332 A CA 1.859 53.883 52.037 -0.022 0.000 0.624 332 A CB -1.339 17.675 19.000 0.023 0.000 0.822 332 A HN 0.615 nan 8.150 nan 0.000 0.444 333 C N -0.541 118.756 119.300 -0.005 0.000 2.440 333 C HA -0.047 4.413 4.460 -0.000 0.000 0.278 333 C C 2.902 177.890 174.990 -0.002 0.000 1.295 333 C CA 0.937 59.972 59.018 0.029 0.000 1.738 333 C CB -1.290 26.513 27.740 0.104 0.000 1.987 333 C HN 0.796 nan 8.230 nan 0.000 0.492 334 R N 1.467 121.934 120.500 -0.055 0.000 2.083 334 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 334 R C 1.819 178.090 176.300 -0.048 0.000 1.137 334 R CA 2.477 58.540 56.100 -0.062 0.000 0.951 334 R CB -0.718 29.520 30.300 -0.103 0.000 0.851 334 R HN 0.420 nan 8.270 nan 0.000 0.434 335 S N 0.314 115.977 115.700 -0.061 0.000 2.436 335 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 335 S C 0.458 175.046 174.600 -0.019 0.000 1.014 335 S CA 0.600 58.765 58.200 -0.058 0.000 0.950 335 S CB -0.092 63.046 63.200 -0.102 0.000 0.784 335 S HN 0.394 nan 8.310 nan 0.000 0.504 336 N N 0.787 119.493 118.700 0.009 0.000 2.573 336 N HA 0.343 5.083 4.740 -0.000 0.000 0.262 336 N C -2.621 172.928 175.510 0.066 0.000 1.029 336 N CA -2.245 50.836 53.050 0.051 0.000 0.882 336 N CB 1.591 40.134 38.487 0.094 0.000 1.204 336 N HN -0.191 nan 8.380 nan 0.000 0.519 337 P HA -0.076 nan 4.420 nan 0.000 0.219 337 P C 0.779 178.119 177.300 0.067 0.000 1.146 337 P CA 0.954 64.086 63.100 0.053 0.000 0.808 337 P CB 0.362 32.089 31.700 0.044 0.000 0.779 338 A N -0.647 122.228 122.820 0.093 0.000 1.897 338 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 338 A C 2.098 179.720 177.584 0.063 0.000 1.181 338 A CA 1.253 53.348 52.037 0.097 0.000 0.620 338 A CB -1.542 17.554 19.000 0.160 0.000 0.821 338 A HN 0.168 nan 8.150 nan 0.000 0.443 339 L N -0.188 121.098 121.223 0.106 0.000 2.093 339 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 339 L C 2.631 179.518 176.870 0.028 0.000 1.085 339 L CA 2.012 56.878 54.840 0.042 0.000 0.755 339 L CB -0.709 41.435 42.059 0.141 0.000 0.904 339 L HN 0.331 nan 8.230 nan 0.000 0.435 340 A N -0.736 122.116 122.820 0.053 0.000 1.978 340 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 340 A C 2.300 179.916 177.584 0.054 0.000 1.170 340 A CA 1.821 53.893 52.037 0.059 0.000 0.636 340 A CB -0.567 18.470 19.000 0.062 0.000 0.810 340 A HN 0.499 nan 8.150 nan 0.000 0.448 341 K N -0.888 119.540 120.400 0.047 0.000 2.360 341 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 341 K C 1.790 178.414 176.600 0.040 0.000 1.046 341 K CA 0.820 57.135 56.287 0.046 0.000 0.945 341 K CB -0.258 32.267 32.500 0.041 0.000 0.750 341 K HN 0.504 nan 8.250 nan 0.000 0.464 342 G N 0.835 109.654 108.800 0.031 0.000 2.712 342 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.212 342 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.212 342 G C 0.522 175.437 174.900 0.025 0.000 1.142 342 G CA -0.294 44.828 45.100 0.037 0.000 0.789 342 G HN 0.093 nan 8.290 nan 0.000 0.535 343 L N 1.589 122.824 121.223 0.020 0.000 2.559 343 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 343 L C 1.175 178.048 176.870 0.004 0.000 1.205 343 L CA -0.189 54.648 54.840 -0.006 0.000 0.907 343 L CB 1.223 43.291 42.059 0.014 0.000 1.153 343 L HN 0.112 nan 8.230 nan 0.000 0.490 344 S N -0.138 115.546 115.700 -0.027 0.000 2.807 344 S HA 0.123 4.593 4.470 -0.000 0.000 0.247 344 S C 0.304 174.895 174.600 -0.015 0.000 1.078 344 S CA 0.345 58.542 58.200 -0.005 0.000 0.867 344 S CB 0.897 64.089 63.200 -0.013 0.000 0.797 344 S HN 0.813 nan 8.310 nan 0.000 0.515 345 T N -0.214 114.304 114.554 -0.060 0.000 2.903 345 T HA 0.708 5.058 4.350 -0.000 0.000 0.299 345 T C -1.505 173.141 174.700 -0.090 0.000 1.093 345 T CA -0.523 61.541 62.100 -0.060 0.000 1.002 345 T CB 2.278 71.113 68.868 -0.055 0.000 1.127 345 T HN 0.255 nan 8.240 nan 0.000 0.488 346 H N 0.310 119.264 119.070 -0.193 0.000 3.128 346 H HA 0.331 4.887 4.556 -0.000 0.000 0.336 346 H C -0.530 174.739 175.328 -0.099 0.000 1.026 346 H CA -0.249 55.651 56.048 -0.246 0.000 1.376 346 H CB 1.003 30.536 29.762 -0.381 0.000 1.882 346 H HN 0.979 nan 8.280 nan 0.000 0.479 347 E N 3.691 123.581 120.200 -0.517 0.000 2.269 347 E HA -0.267 4.083 4.350 -0.000 0.000 0.223 347 E C 0.875 177.388 176.600 -0.146 0.000 1.244 347 E CA 1.042 57.262 56.400 -0.300 0.000 0.713 347 E CB -1.362 28.101 29.700 -0.396 0.000 1.178 347 E HN 1.189 nan 8.360 nan 0.000 0.370 348 G N -1.511 107.226 108.800 -0.104 0.000 2.176 348 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 348 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 348 G C 0.279 175.145 174.900 -0.056 0.000 0.979 348 G CA 0.198 45.256 45.100 -0.070 0.000 0.641 348 G HN 0.976 nan 8.290 nan 0.000 0.530 349 A N -0.043 122.743 122.820 -0.056 0.000 2.301 349 A HA 0.782 5.102 4.320 -0.000 0.000 0.298 349 A C -0.083 177.487 177.584 -0.023 0.000 1.185 349 A CA -0.376 51.639 52.037 -0.038 0.000 0.830 349 A CB 1.194 20.176 19.000 -0.030 0.000 1.112 349 A HN 1.320 nan 8.150 nan 0.000 0.508 350 L N 3.249 124.469 121.223 -0.005 0.000 2.265 350 L HA 0.416 4.756 4.340 -0.000 0.000 0.288 350 L C 0.215 177.130 176.870 0.076 0.000 1.058 350 L CA 0.155 55.020 54.840 0.042 0.000 0.809 350 L CB 0.598 42.702 42.059 0.075 0.000 1.179 350 L HN 0.723 nan 8.230 nan 0.000 0.429 351 L N 3.106 124.385 121.223 0.093 0.000 2.640 351 L HA 0.281 4.621 4.340 -0.000 0.000 0.230 351 L C 0.651 177.716 176.870 0.326 0.000 1.123 351 L CA 0.084 54.995 54.840 0.117 0.000 0.900 351 L CB 0.130 42.215 42.059 0.043 0.000 1.146 351 L HN 0.690 nan 8.230 nan 0.000 0.484 352 S N -0.141 115.742 115.700 0.304 0.000 2.433 352 S HA 0.158 4.628 4.470 -0.000 0.000 0.310 352 S C 0.865 175.512 174.600 0.077 0.000 1.097 352 S CA -0.580 57.742 58.200 0.203 0.000 1.103 352 S CB 1.726 64.978 63.200 0.086 0.000 0.992 352 S HN 0.274 nan 8.310 nan 0.000 0.469 353 E N 3.683 123.680 120.200 -0.339 0.000 2.072 353 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 353 E C 2.060 178.453 176.600 -0.345 0.000 0.985 353 E CA 0.764 56.644 56.400 -0.867 0.000 0.801 353 E CB 0.005 29.040 29.700 -1.108 0.000 0.750 353 E HN 0.793 nan 8.360 nan 0.000 0.452 354 R N 0.054 120.443 120.500 -0.185 0.000 2.081 354 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 354 R C 2.138 178.407 176.300 -0.052 0.000 1.131 354 R CA 1.478 57.521 56.100 -0.096 0.000 0.960 354 R CB -0.109 30.161 30.300 -0.050 0.000 0.856 354 R HN 0.066 nan 8.270 nan 0.000 0.436 355 V N 0.959 120.858 119.914 -0.024 0.000 2.453 355 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 355 V C 2.440 178.541 176.094 0.012 0.000 1.048 355 V CA 1.678 63.982 62.300 0.007 0.000 1.049 355 V CB -0.562 31.277 31.823 0.027 0.000 0.672 355 V HN 0.549 nan 8.190 nan 0.000 0.457 356 A N -0.017 122.814 122.820 0.019 0.000 1.972 356 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 356 A C 2.372 179.961 177.584 0.009 0.000 1.169 356 A CA 2.475 54.540 52.037 0.046 0.000 0.635 356 A CB -0.742 18.335 19.000 0.129 0.000 0.810 356 A HN 0.520 nan 8.150 nan 0.000 0.446 357 T N -0.313 114.221 114.554 -0.034 0.000 2.894 357 T HA -0.049 4.301 4.350 -0.000 0.000 0.258 357 T C 1.364 176.055 174.700 -0.015 0.000 1.043 357 T CA 1.318 63.399 62.100 -0.032 0.000 1.141 357 T CB -0.338 68.493 68.868 -0.061 0.000 0.873 357 T HN 0.437 nan 8.240 nan 0.000 0.449 358 D N 1.038 121.431 120.400 -0.012 0.000 2.219 358 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 358 D C 1.542 177.844 176.300 0.003 0.000 0.970 358 D CA 0.736 54.734 54.000 -0.003 0.000 0.851 358 D CB -0.056 40.745 40.800 0.001 0.000 0.943 358 D HN 0.333 nan 8.370 nan 0.000 0.488 359 L N -1.604 119.623 121.223 0.006 0.000 2.766 359 L HA 0.309 4.649 4.340 -0.000 0.000 0.242 359 L C 1.118 177.993 176.870 0.009 0.000 1.136 359 L CA 0.064 54.909 54.840 0.008 0.000 0.933 359 L CB 0.361 42.426 42.059 0.010 0.000 1.241 359 L HN 0.028 nan 8.230 nan 0.000 0.522 360 G N 1.639 110.446 108.800 0.011 0.000 2.273 360 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.280 360 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.280 360 G C -0.061 174.852 174.900 0.021 0.000 1.047 360 G CA 0.208 45.316 45.100 0.014 0.000 0.869 360 G HN 0.125 nan 8.290 nan 0.000 0.502 361 V N 0.324 120.257 119.914 0.032 0.000 2.612 361 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 361 V C -1.467 174.667 176.094 0.068 0.000 1.046 361 V CA -1.840 60.484 62.300 0.040 0.000 0.946 361 V CB 1.738 33.584 31.823 0.038 0.000 1.003 361 V HN 0.163 nan 8.190 nan 0.000 0.459 362 P HA 0.051 nan 4.420 nan 0.000 0.262 362 P C -0.914 176.465 177.300 0.132 0.000 1.182 362 P CA 0.161 63.309 63.100 0.080 0.000 0.761 362 P CB 0.050 31.772 31.700 0.036 0.000 0.795 363 F N 3.631 123.584 119.950 0.004 0.000 2.408 363 F HA 0.428 4.955 4.527 -0.000 0.000 0.344 363 F C -0.272 175.535 175.800 0.011 0.000 1.112 363 F CA -0.186 57.819 58.000 0.007 0.000 1.096 363 F CB 0.858 39.863 39.000 0.009 0.000 1.129 363 F HN 0.118 nan 8.300 nan 0.000 0.486 364 T N 5.658 119.820 114.554 -0.654 0.000 2.824 364 T HA 0.232 4.582 4.350 -0.000 0.000 0.280 364 T C -0.546 173.484 174.700 -1.115 0.000 0.995 364 T CA -0.763 60.928 62.100 -0.682 0.000 1.009 364 T CB 1.119 69.821 68.868 -0.277 0.000 0.955 364 T HN 0.438 nan 8.240 nan 0.000 0.452 365 E N 4.168 123.879 120.200 -0.815 0.000 2.366 365 E HA 0.066 4.416 4.350 -0.000 0.000 0.266 365 E C -1.343 175.148 176.600 -0.182 0.000 1.015 365 E CA -1.894 54.217 56.400 -0.481 0.000 0.906 365 E CB 1.165 30.756 29.700 -0.182 0.000 0.979 365 E HN 0.361 nan 8.360 nan 0.000 0.443 366 P HA -0.203 nan 4.420 nan 0.000 0.216 366 P C 1.063 178.389 177.300 0.044 0.000 1.150 366 P CA 1.361 64.484 63.100 0.039 0.000 0.837 366 P CB 0.181 31.939 31.700 0.096 0.000 0.786 367 A N 0.912 123.754 122.820 0.037 0.000 1.986 367 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 367 A C 2.480 180.073 177.584 0.016 0.000 1.171 367 A CA 2.599 54.653 52.037 0.029 0.000 0.640 367 A CB -1.633 17.385 19.000 0.030 0.000 0.811 367 A HN 0.415 nan 8.150 nan 0.000 0.451 368 S N -1.495 114.204 115.700 -0.002 0.000 2.489 368 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 368 S C 1.488 176.108 174.600 0.033 0.000 0.995 368 S CA 1.154 59.353 58.200 -0.000 0.000 0.934 368 S CB 0.047 63.228 63.200 -0.031 0.000 0.771 368 S HN 0.467 nan 8.310 nan 0.000 0.522 369 V N 0.389 120.342 119.914 0.064 0.000 3.621 369 V HA 0.427 4.547 4.120 -0.000 0.000 0.263 369 V C 1.573 177.738 176.094 0.117 0.000 1.272 369 V CA 0.317 62.700 62.300 0.138 0.000 1.080 369 V CB -0.019 31.930 31.823 0.209 0.000 0.816 369 V HN 0.553 nan 8.190 nan 0.000 0.451 370 L N 0.834 122.092 121.223 0.059 0.000 2.509 370 L HA 0.497 4.837 4.340 -0.000 0.000 0.222 370 L C 1.354 178.182 176.870 -0.069 0.000 1.123 370 L CA 0.601 55.425 54.840 -0.026 0.000 0.856 370 L CB -0.575 41.488 42.059 0.007 0.000 0.985 370 L HN 0.388 nan 8.230 nan 0.000 0.456 371 A N 0.000 122.801 122.820 -0.032 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 371 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 371 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486