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 2d1q_1_A DATA FIRST_RESID 8 DATA SEQUENCE ENIVVGPKPF YPIEEGSAGT QLRKYMERYA KLGAIAFTNA VTGVDYSYAE DATA SEQUENCE YLEKSXXLGK ALQNYGLVVD GRIALCSENC EEFFIPVIAG LFIGVGVAPT DATA SEQUENCE NEIYTLRELV HSLGISKPTI VFSSKKGLDK VITVQKTVTT IKTIVILDSK DATA SEQUENCE VDYRGYQCLD TFIKRNTPPG FQASSFKTVE VDRKEQVALI MNSSXXXXLP DATA SEQUENCE KGVQLTHENI VTRFSHARDP IYGNQVSPGT AVLTVVPFHH GFGMFTTLGY DATA SEQUENCE LICGFRVVML TKFDEETFLK TLQDYKCTSV ILVPTLFAIL NKSELLNKYD DATA SEQUENCE LSNLVEIASG GAPLSKEVGE AVARRFNLPG VRQGYGLTET TSAIIITPEG DATA SEQUENCE DDKPGASGKV VPLFKAKVID LDTKKSLGPN RRGEVCVKGP MLMKGYVNNP DATA SEQUENCE EATKELIDEE GWLHTGDIGY YDEEKHFFIV DRLKSLIKYK GYQVPPAELE DATA SEQUENCE SVLLQHPSIF DAGVAGVPDP VAGELPGAVV VLESGKNMTE KEVMDYVASQ DATA SEQUENCE VSNAKRLRGG VRFVDEVPKG LTGKIDGRAI REILK 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.629 176.600 0.048 0.000 1.382 8 E CA 0.000 56.423 56.400 0.039 0.000 0.976 8 E CB 0.000 29.712 29.700 0.021 0.000 0.812 9 N N 0.740 119.468 118.700 0.046 0.000 2.378 9 N HA 0.417 5.084 4.740 -0.123 0.000 0.243 9 N C -0.352 175.192 175.510 0.057 0.000 1.137 9 N CA 0.048 53.148 53.050 0.084 0.000 0.862 9 N CB -0.102 38.451 38.487 0.110 0.000 1.116 9 N HN 0.456 nan 8.380 nan 0.000 0.499 10 I N 0.744 121.340 120.570 0.043 0.000 2.474 10 I HA 0.092 4.189 4.170 -0.123 0.000 0.287 10 I C 0.196 176.336 176.117 0.038 0.000 1.048 10 I CA -0.441 60.893 61.300 0.057 0.000 1.383 10 I CB 1.296 39.380 38.000 0.140 0.000 1.412 10 I HN -0.284 nan 8.210 nan 0.000 0.531 11 V N 7.274 127.202 119.914 0.025 0.000 2.370 11 V HA 0.336 4.382 4.120 -0.123 0.000 0.283 11 V C -0.032 176.092 176.094 0.051 0.000 1.023 11 V CA -0.626 61.678 62.300 0.007 0.000 0.857 11 V CB 1.577 33.387 31.823 -0.021 0.000 0.985 11 V HN 0.371 nan 8.190 nan 0.000 0.443 12 V N 3.985 123.922 119.914 0.039 0.000 2.459 12 V HA 0.695 4.741 4.120 -0.123 0.000 0.295 12 V C 0.835 176.934 176.094 0.009 0.000 1.029 12 V CA -0.354 61.963 62.300 0.029 0.000 0.874 12 V CB 1.754 33.593 31.823 0.027 0.000 0.985 12 V HN 0.938 nan 8.190 nan 0.000 0.438 13 G N 4.739 113.531 108.800 -0.014 0.000 2.537 13 G HA2 0.601 4.488 3.960 -0.123 0.000 0.273 13 G HA3 0.601 4.488 3.960 -0.123 0.000 0.273 13 G C -2.374 172.506 174.900 -0.034 0.000 1.189 13 G CA -0.951 44.114 45.100 -0.058 0.000 0.881 13 G HN 0.577 nan 8.290 nan 0.000 0.535 14 P HA 0.396 nan 4.420 nan 0.000 0.277 14 P C 0.016 177.328 177.300 0.020 0.000 1.271 14 P CA -0.448 62.667 63.100 0.026 0.000 0.795 14 P CB 0.430 32.188 31.700 0.097 0.000 1.101 15 K N 0.760 121.184 120.400 0.040 0.000 2.295 15 K HA 0.309 4.555 4.320 -0.123 0.000 0.270 15 K C -1.993 174.655 176.600 0.079 0.000 1.011 15 K CA -1.405 54.906 56.287 0.040 0.000 0.953 15 K CB -1.707 30.805 32.500 0.021 0.000 0.956 15 K HN 0.501 nan 8.250 nan 0.000 0.477 16 P HA 0.204 nan 4.420 nan 0.000 0.275 16 P C 0.278 177.659 177.300 0.134 0.000 1.227 16 P CA -0.590 62.608 63.100 0.162 0.000 0.781 16 P CB 0.576 32.385 31.700 0.180 0.000 0.906 17 F N 2.379 122.349 119.950 0.035 0.000 2.069 17 F HA -0.129 4.323 4.527 -0.125 0.000 0.298 17 F C 0.523 176.187 175.800 -0.227 0.000 1.113 17 F CA 1.564 59.481 58.000 -0.138 0.000 1.214 17 F CB -0.387 38.467 39.000 -0.243 0.000 0.978 17 F HN 0.203 nan 8.300 nan 0.000 0.474 18 Y N 1.125 121.541 120.300 0.193 0.000 2.335 18 Y HA 0.377 4.858 4.550 -0.115 0.000 0.339 18 Y C -2.015 173.927 175.900 0.070 0.000 0.987 18 Y CA -3.499 54.661 58.100 0.100 0.000 1.140 18 Y CB -0.027 38.546 38.460 0.187 0.000 1.173 18 Y HN -0.108 nan 8.280 nan 0.000 0.486 19 P HA 0.019 nan 4.420 nan 0.000 0.270 19 P C -0.464 176.905 177.300 0.116 0.000 1.223 19 P CA -0.240 62.919 63.100 0.099 0.000 0.785 19 P CB 0.676 32.408 31.700 0.054 0.000 0.923 20 I N 1.716 122.330 120.570 0.073 0.000 2.662 20 I HA -0.052 4.044 4.170 -0.123 0.000 0.285 20 I C 1.253 177.414 176.117 0.074 0.000 1.161 20 I CA 0.871 62.209 61.300 0.064 0.000 1.415 20 I CB -0.464 37.547 38.000 0.018 0.000 1.385 20 I HN 0.297 nan 8.210 nan 0.000 0.552 21 E N 6.038 126.300 120.200 0.104 0.000 2.392 21 E HA 0.128 4.405 4.350 -0.123 0.000 0.256 21 E C 0.069 176.719 176.600 0.083 0.000 1.145 21 E CA -0.568 55.893 56.400 0.102 0.000 0.929 21 E CB 0.573 30.359 29.700 0.143 0.000 0.998 21 E HN 0.617 nan 8.360 nan 0.000 0.442 22 E N 0.266 120.504 120.200 0.064 0.000 2.374 22 E HA 0.440 4.717 4.350 -0.123 0.000 0.260 22 E C 0.243 176.882 176.600 0.065 0.000 1.101 22 E CA -0.534 55.895 56.400 0.048 0.000 0.907 22 E CB 0.789 30.505 29.700 0.026 0.000 1.014 22 E HN 0.652 nan 8.360 nan 0.000 0.427 23 G N 0.670 109.503 108.800 0.056 0.000 2.629 23 G HA2 -0.109 3.777 3.960 -0.123 0.000 0.686 23 G HA3 -0.109 3.777 3.960 -0.123 0.000 0.686 23 G C -0.097 174.869 174.900 0.110 0.000 1.232 23 G CA -0.363 44.779 45.100 0.070 0.000 0.803 23 G HN 1.062 nan 8.290 nan 0.000 0.638 24 S N 0.273 116.046 115.700 0.121 0.000 2.606 24 S HA 0.637 5.033 4.470 -0.123 0.000 0.257 24 S C 2.075 176.890 174.600 0.358 0.000 1.327 24 S CA 0.783 59.115 58.200 0.220 0.000 0.984 24 S CB 1.274 64.557 63.200 0.139 0.000 0.941 24 S HN 2.399 nan 8.310 nan 0.000 0.576 25 A N 1.322 124.458 122.820 0.525 0.000 1.940 25 A HA 0.110 4.357 4.320 -0.123 0.000 0.219 25 A C 2.187 180.056 177.584 0.476 0.000 1.176 25 A CA 1.822 54.074 52.037 0.358 0.000 0.631 25 A CB -1.816 17.160 19.000 -0.040 0.000 0.814 25 A HN 1.158 nan 8.150 nan 0.000 0.446 26 G N -1.467 107.632 108.800 0.499 0.000 2.394 26 G HA2 -0.074 3.812 3.960 -0.123 0.000 0.215 26 G HA3 -0.074 3.812 3.960 -0.123 0.000 0.215 26 G C 1.563 176.751 174.900 0.480 0.000 1.165 26 G CA 1.504 46.995 45.100 0.651 0.000 0.784 26 G HN 0.415 nan 8.290 nan 0.000 0.535 27 T N 1.062 115.784 114.554 0.280 0.000 2.708 27 T HA -0.140 4.137 4.350 -0.123 0.000 0.266 27 T C 2.484 177.284 174.700 0.167 0.000 1.037 27 T CA 1.619 63.796 62.100 0.129 0.000 1.146 27 T CB -0.217 68.697 68.868 0.077 0.000 0.865 27 T HN 0.365 nan 8.240 nan 0.000 0.435 28 Q N 0.258 120.216 119.800 0.264 0.000 2.084 28 Q HA 0.027 4.293 4.340 -0.123 0.000 0.202 28 Q C 2.441 178.624 176.000 0.306 0.000 0.978 28 Q CA 1.019 57.001 55.803 0.298 0.000 0.844 28 Q CB -0.350 28.630 28.738 0.404 0.000 0.898 28 Q HN 0.439 nan 8.270 nan 0.000 0.426 29 L N 0.444 121.863 121.223 0.327 0.000 2.046 29 L HA -0.212 4.055 4.340 -0.123 0.000 0.208 29 L C 2.759 179.825 176.870 0.327 0.000 1.077 29 L CA 1.194 56.196 54.840 0.270 0.000 0.747 29 L CB -0.297 41.970 42.059 0.348 0.000 0.896 29 L HN 0.208 nan 8.230 nan 0.000 0.432 30 R N 0.401 121.121 120.500 0.366 0.000 2.096 30 R HA -0.237 4.029 4.340 -0.123 0.000 0.235 30 R C 2.317 178.643 176.300 0.043 0.000 1.127 30 R CA 1.753 57.976 56.100 0.205 0.000 0.968 30 R CB -0.107 30.129 30.300 -0.106 0.000 0.861 30 R HN 0.243 nan 8.270 nan 0.000 0.440 31 K N -0.553 119.835 120.400 -0.020 0.000 2.032 31 K HA -0.205 4.042 4.320 -0.123 0.000 0.209 31 K C 1.808 178.170 176.600 -0.396 0.000 1.048 31 K CA 1.797 57.955 56.287 -0.216 0.000 0.927 31 K CB -0.195 32.139 32.500 -0.277 0.000 0.712 31 K HN 0.193 nan 8.250 nan 0.000 0.441 32 Y N 0.270 120.456 120.300 -0.189 0.000 2.184 32 Y HA -0.083 4.431 4.550 -0.059 0.000 0.290 32 Y C 2.390 177.977 175.900 -0.521 0.000 1.129 32 Y CA 1.391 59.264 58.100 -0.378 0.000 1.144 32 Y CB -0.156 38.161 38.460 -0.238 0.000 0.995 32 Y HN 0.002 nan 8.280 nan 0.000 0.513 33 M N -0.290 119.313 119.600 0.006 0.000 2.159 33 M HA -0.256 4.151 4.480 -0.123 0.000 0.263 33 M C 2.059 178.358 176.300 -0.001 0.000 1.063 33 M CA 1.667 57.044 55.300 0.128 0.000 1.110 33 M CB -0.317 32.505 32.600 0.370 0.000 1.374 33 M HN 0.275 nan 8.290 nan 0.000 0.411 34 E N -0.045 120.126 120.200 -0.049 0.000 2.097 34 E HA -0.266 4.011 4.350 -0.123 0.000 0.196 34 E C 2.062 178.570 176.600 -0.153 0.000 1.000 34 E CA 1.324 57.686 56.400 -0.064 0.000 0.804 34 E CB -0.053 29.592 29.700 -0.092 0.000 0.740 34 E HN 0.363 nan 8.360 nan 0.000 0.454 35 R N -0.347 119.948 120.500 -0.343 0.000 2.070 35 R HA -0.178 4.088 4.340 -0.123 0.000 0.233 35 R C 2.067 178.167 176.300 -0.333 0.000 1.137 35 R CA 1.687 57.540 56.100 -0.412 0.000 0.945 35 R CB -0.212 29.688 30.300 -0.666 0.000 0.845 35 R HN 0.208 nan 8.270 nan 0.000 0.430 36 Y N 0.112 120.280 120.300 -0.221 0.000 2.373 36 Y HA 0.071 4.568 4.550 -0.088 0.000 0.293 36 Y C 2.314 178.135 175.900 -0.133 0.000 1.129 36 Y CA 0.400 58.294 58.100 -0.343 0.000 1.226 36 Y CB -0.846 37.018 38.460 -0.994 0.000 1.000 36 Y HN 0.212 nan 8.280 nan 0.000 0.549 37 A N 0.609 123.486 122.820 0.093 0.000 1.883 37 A HA -0.249 3.997 4.320 -0.123 0.000 0.217 37 A C 2.181 179.828 177.584 0.105 0.000 1.186 37 A CA 2.074 54.212 52.037 0.169 0.000 0.624 37 A CB -0.583 18.516 19.000 0.164 0.000 0.822 37 A HN 0.356 nan 8.150 nan 0.000 0.444 38 K N -0.452 119.975 120.400 0.045 0.000 2.148 38 K HA 0.113 4.359 4.320 -0.123 0.000 0.204 38 K C 1.720 178.347 176.600 0.044 0.000 1.050 38 K CA 0.723 57.029 56.287 0.032 0.000 0.942 38 K CB -0.264 32.234 32.500 -0.002 0.000 0.724 38 K HN 0.452 nan 8.250 nan 0.000 0.446 39 L N -0.662 120.594 121.223 0.055 0.000 2.275 39 L HA -0.084 4.183 4.340 -0.123 0.000 0.215 39 L C 1.010 177.928 176.870 0.080 0.000 1.119 39 L CA 1.101 55.981 54.840 0.067 0.000 0.790 39 L CB -0.205 41.907 42.059 0.090 0.000 0.919 39 L HN 0.597 nan 8.230 nan 0.000 0.443 40 G N -0.743 108.120 108.800 0.105 0.000 2.131 40 G HA2 -0.214 3.673 3.960 -0.123 0.000 0.223 40 G HA3 -0.214 3.673 3.960 -0.123 0.000 0.223 40 G C 0.279 175.264 174.900 0.143 0.000 0.990 40 G CA 0.021 45.188 45.100 0.112 0.000 0.671 40 G HN 0.549 nan 8.290 nan 0.000 0.521 41 A N -0.313 122.622 122.820 0.192 0.000 2.351 41 A HA 0.758 5.004 4.320 -0.123 0.000 0.257 41 A C 0.501 178.291 177.584 0.344 0.000 1.087 41 A CA -0.112 52.070 52.037 0.242 0.000 0.798 41 A CB 0.449 19.570 19.000 0.202 0.000 1.033 41 A HN 0.781 nan 8.150 nan 0.000 0.488 42 I N 1.452 122.164 120.570 0.237 0.000 2.353 42 I HA 0.343 4.440 4.170 -0.123 0.000 0.293 42 I C 1.223 177.319 176.117 -0.035 0.000 0.992 42 I CA -0.180 61.198 61.300 0.129 0.000 1.268 42 I CB 1.768 39.818 38.000 0.082 0.000 1.387 42 I HN 0.779 nan 8.210 nan 0.000 0.478 43 A N 6.296 128.895 122.820 -0.369 0.000 1.887 43 A HA 0.265 4.511 4.320 -0.123 0.000 0.212 43 A C 0.427 177.595 177.584 -0.695 0.000 1.198 43 A CA 0.987 52.467 52.037 -0.928 0.000 0.628 43 A CB 0.145 18.359 19.000 -1.311 0.000 0.847 43 A HN 0.547 nan 8.150 nan 0.000 0.449 44 F N -0.698 119.070 119.950 -0.303 0.000 2.561 44 F HA 0.503 4.955 4.527 -0.126 0.000 0.313 44 F C -0.480 175.297 175.800 -0.039 0.000 1.126 44 F CA -0.314 57.573 58.000 -0.188 0.000 0.918 44 F CB 2.608 41.469 39.000 -0.231 0.000 1.199 44 F HN -0.212 nan 8.300 nan 0.000 0.444 45 T N 2.740 117.348 114.554 0.090 0.000 2.879 45 T HA 0.200 4.477 4.350 -0.123 0.000 0.290 45 T C -0.903 173.804 174.700 0.013 0.000 0.993 45 T CA -0.834 61.272 62.100 0.010 0.000 0.975 45 T CB 1.180 69.921 68.868 -0.212 0.000 0.981 45 T HN 0.410 nan 8.240 nan 0.000 0.439 46 N N 2.206 120.948 118.700 0.069 0.000 2.406 46 N HA 0.255 4.922 4.740 -0.123 0.000 0.251 46 N C 1.106 176.614 175.510 -0.003 0.000 1.069 46 N CA -0.376 52.709 53.050 0.059 0.000 0.947 46 N CB 1.335 39.883 38.487 0.102 0.000 1.111 46 N HN 0.727 nan 8.380 nan 0.000 0.497 47 A N 3.597 126.383 122.820 -0.057 0.000 2.019 47 A HA -0.076 4.170 4.320 -0.123 0.000 0.219 47 A C 1.919 179.539 177.584 0.059 0.000 1.164 47 A CA 1.156 53.165 52.037 -0.046 0.000 0.644 47 A CB -0.101 18.858 19.000 -0.068 0.000 0.805 47 A HN 0.523 nan 8.150 nan 0.000 0.449 48 V N -0.163 119.775 119.914 0.041 0.000 2.649 48 V HA -0.109 3.937 4.120 -0.123 0.000 0.248 48 V C 2.712 178.838 176.094 0.053 0.000 1.054 48 V CA 2.195 64.520 62.300 0.042 0.000 1.073 48 V CB -0.335 31.502 31.823 0.023 0.000 0.699 48 V HN 0.826 nan 8.190 nan 0.000 0.463 49 T N -3.872 110.718 114.554 0.060 0.000 3.015 49 T HA 0.296 4.573 4.350 -0.123 0.000 0.250 49 T C 1.609 176.357 174.700 0.079 0.000 1.057 49 T CA 0.905 63.041 62.100 0.061 0.000 1.066 49 T CB 0.776 69.679 68.868 0.057 0.000 0.959 49 T HN 0.838 nan 8.240 nan 0.000 0.488 50 G N 1.262 110.125 108.800 0.106 0.000 2.162 50 G HA2 -0.239 3.647 3.960 -0.123 0.000 0.260 50 G HA3 -0.239 3.647 3.960 -0.123 0.000 0.260 50 G C 0.106 175.077 174.900 0.118 0.000 0.976 50 G CA -0.009 45.181 45.100 0.150 0.000 0.655 50 G HN 0.722 nan 8.290 nan 0.000 0.533 51 V N 1.808 121.779 119.914 0.094 0.000 2.485 51 V HA 0.272 4.318 4.120 -0.123 0.000 0.287 51 V C 0.306 176.469 176.094 0.116 0.000 1.022 51 V CA 0.013 62.365 62.300 0.086 0.000 1.067 51 V CB 1.022 32.900 31.823 0.091 0.000 0.967 51 V HN 0.298 nan 8.190 nan 0.000 0.479 52 D N 3.502 123.951 120.400 0.082 0.000 2.163 52 D HA 0.410 4.976 4.640 -0.123 0.000 0.248 52 D C -0.827 175.532 176.300 0.098 0.000 1.035 52 D CA -0.078 53.990 54.000 0.113 0.000 0.872 52 D CB 1.669 42.520 40.800 0.085 0.000 1.183 52 D HN 0.473 nan 8.370 nan 0.000 0.445 53 Y N 0.738 121.112 120.300 0.123 0.000 2.338 53 Y HA 0.150 4.625 4.550 -0.125 0.000 0.328 53 Y C 0.846 176.813 175.900 0.113 0.000 0.965 53 Y CA -0.741 57.458 58.100 0.164 0.000 1.208 53 Y CB 1.346 39.990 38.460 0.307 0.000 1.132 53 Y HN 0.226 nan 8.280 nan 0.000 0.469 54 S N 1.824 117.664 115.700 0.232 0.000 2.576 54 S HA -0.024 4.373 4.470 -0.123 0.000 0.272 54 S C 0.863 175.615 174.600 0.254 0.000 1.352 54 S CA -0.267 58.058 58.200 0.208 0.000 1.021 54 S CB 0.450 63.762 63.200 0.186 0.000 0.887 54 S HN 0.664 nan 8.310 nan 0.000 0.542 55 Y N 1.380 121.805 120.300 0.209 0.000 2.207 55 Y HA -0.101 4.378 4.550 -0.118 0.000 0.287 55 Y C 2.764 178.814 175.900 0.251 0.000 1.156 55 Y CA 1.906 60.145 58.100 0.232 0.000 1.182 55 Y CB -0.937 37.651 38.460 0.213 0.000 0.979 55 Y HN 0.872 nan 8.280 nan 0.000 0.521 56 A N -0.348 122.680 122.820 0.347 0.000 1.898 56 A HA -0.221 4.026 4.320 -0.123 0.000 0.216 56 A C 2.153 179.879 177.584 0.237 0.000 1.181 56 A CA 1.780 53.967 52.037 0.251 0.000 0.620 56 A CB -0.653 18.455 19.000 0.179 0.000 0.819 56 A HN 0.518 nan 8.150 nan 0.000 0.442 57 E N -1.744 118.607 120.200 0.251 0.000 2.047 57 E HA -0.207 4.070 4.350 -0.123 0.000 0.191 57 E C 1.812 178.586 176.600 0.289 0.000 0.987 57 E CA 1.123 57.669 56.400 0.243 0.000 0.799 57 E CB -0.297 29.545 29.700 0.236 0.000 0.752 57 E HN 0.659 nan 8.360 nan 0.000 0.449 58 Y N 0.423 120.862 120.300 0.232 0.000 2.165 58 Y HA -0.230 4.243 4.550 -0.127 0.000 0.286 58 Y C 2.165 178.148 175.900 0.138 0.000 1.155 58 Y CA 1.575 59.762 58.100 0.145 0.000 1.164 58 Y CB -0.218 38.300 38.460 0.096 0.000 0.978 58 Y HN 0.177 nan 8.280 nan 0.000 0.513 59 L N 0.563 122.001 121.223 0.359 0.000 1.989 59 L HA -0.227 4.040 4.340 -0.123 0.000 0.211 59 L C 2.377 179.384 176.870 0.229 0.000 1.071 59 L CA 2.424 57.454 54.840 0.317 0.000 0.749 59 L CB -1.004 41.245 42.059 0.316 0.000 0.890 59 L HN 0.386 nan 8.230 nan 0.000 0.431 60 E N -0.678 119.628 120.200 0.178 0.000 2.085 60 E HA -0.263 4.014 4.350 -0.123 0.000 0.194 60 E C 2.111 178.757 176.600 0.077 0.000 0.994 60 E CA 1.383 57.858 56.400 0.125 0.000 0.801 60 E CB -0.085 29.680 29.700 0.109 0.000 0.743 60 E HN 0.490 nan 8.360 nan 0.000 0.453 61 K N 0.554 120.974 120.400 0.034 0.000 2.148 61 K HA -0.010 4.237 4.320 -0.123 0.000 0.204 61 K C 1.214 177.755 176.600 -0.098 0.000 1.050 61 K CA 0.496 56.757 56.287 -0.044 0.000 0.942 61 K CB 0.008 32.443 32.500 -0.108 0.000 0.724 61 K HN 0.046 nan 8.250 nan 0.000 0.446 66 G N 0.759 109.453 108.800 -0.178 0.000 2.529 66 G HA2 -0.384 3.502 3.960 -0.123 0.000 0.219 66 G HA3 -0.384 3.502 3.960 -0.123 0.000 0.219 66 G C 1.437 176.257 174.900 -0.132 0.000 1.177 66 G CA 1.458 46.462 45.100 -0.159 0.000 0.773 66 G HN 0.334 nan 8.290 nan 0.000 0.573 67 K N 1.111 121.295 120.400 -0.361 0.000 2.032 67 K HA 0.056 4.302 4.320 -0.123 0.000 0.209 67 K C 2.744 179.269 176.600 -0.126 0.000 1.048 67 K CA 1.710 57.886 56.287 -0.186 0.000 0.927 67 K CB -0.832 31.403 32.500 -0.442 0.000 0.712 67 K HN 0.213 nan 8.250 nan 0.000 0.441 68 A N 0.443 123.195 122.820 -0.112 0.000 1.940 68 A HA -0.135 4.112 4.320 -0.123 0.000 0.219 68 A C 2.225 179.845 177.584 0.060 0.000 1.176 68 A CA 1.767 53.758 52.037 -0.078 0.000 0.631 68 A CB -0.686 18.287 19.000 -0.045 0.000 0.814 68 A HN 0.337 nan 8.150 nan 0.000 0.446 69 L N -1.147 120.175 121.223 0.165 0.000 2.156 69 L HA -0.189 4.078 4.340 -0.123 0.000 0.208 69 L C 2.843 179.848 176.870 0.225 0.000 1.095 69 L CA 1.174 56.161 54.840 0.245 0.000 0.770 69 L CB -0.466 41.711 42.059 0.197 0.000 0.914 69 L HN 0.475 nan 8.230 nan 0.000 0.439 70 Q N -0.225 119.668 119.800 0.155 0.000 2.046 70 Q HA -0.150 4.116 4.340 -0.123 0.000 0.200 70 Q C 1.915 177.972 176.000 0.095 0.000 0.975 70 Q CA 1.281 57.165 55.803 0.134 0.000 0.836 70 Q CB -0.092 28.728 28.738 0.136 0.000 0.896 70 Q HN 0.451 nan 8.270 nan 0.000 0.428 71 N N 0.142 118.869 118.700 0.046 0.000 2.223 71 N HA -0.164 4.502 4.740 -0.123 0.000 0.185 71 N C 1.316 176.846 175.510 0.033 0.000 1.016 71 N CA 0.892 53.941 53.050 -0.002 0.000 0.863 71 N CB -0.277 38.162 38.487 -0.080 0.000 0.983 71 N HN 0.319 nan 8.380 nan 0.000 0.429 72 Y N 0.029 120.306 120.300 -0.038 0.000 2.421 72 Y HA 0.049 4.526 4.550 -0.123 0.000 0.292 72 Y C 1.408 177.326 175.900 0.029 0.000 1.136 72 Y CA 1.295 59.393 58.100 -0.004 0.000 1.255 72 Y CB 0.029 38.551 38.460 0.103 0.000 0.991 72 Y HN 0.139 nan 8.280 nan 0.000 0.552 73 G N -0.270 108.608 108.800 0.131 0.000 2.183 73 G HA2 -0.184 3.702 3.960 -0.123 0.000 0.168 73 G HA3 -0.184 3.702 3.960 -0.123 0.000 0.168 73 G C -0.254 174.723 174.900 0.127 0.000 1.008 73 G CA -0.065 45.066 45.100 0.052 0.000 0.677 73 G HN 0.192 nan 8.290 nan 0.000 0.498 74 L N 2.170 123.527 121.223 0.224 0.000 2.361 74 L HA 0.487 4.753 4.340 -0.123 0.000 0.278 74 L C 1.330 178.278 176.870 0.131 0.000 1.113 74 L CA -0.576 54.377 54.840 0.188 0.000 0.849 74 L CB 1.021 43.207 42.059 0.213 0.000 1.155 74 L HN 0.229 nan 8.230 nan 0.000 0.452 75 V N 2.133 122.106 119.914 0.100 0.000 3.109 75 V HA 0.430 4.476 4.120 -0.123 0.000 0.317 75 V C 0.528 176.669 176.094 0.079 0.000 1.074 75 V CA -0.988 61.359 62.300 0.079 0.000 1.033 75 V CB 1.651 33.507 31.823 0.056 0.000 1.111 75 V HN 0.351 nan 8.190 nan 0.000 0.458 76 V N 2.139 122.093 119.914 0.067 0.000 2.644 76 V HA 0.119 4.165 4.120 -0.123 0.000 0.305 76 V C 1.081 177.208 176.094 0.056 0.000 1.053 76 V CA 1.734 64.070 62.300 0.061 0.000 1.186 76 V CB -0.436 31.411 31.823 0.040 0.000 0.895 76 V HN 1.263 nan 8.190 nan 0.000 0.490 77 D N 2.186 122.624 120.400 0.064 0.000 3.059 77 D HA -0.124 4.442 4.640 -0.123 0.000 0.208 77 D C 0.731 177.067 176.300 0.060 0.000 1.079 77 D CA 1.250 55.286 54.000 0.059 0.000 0.986 77 D CB -1.109 39.717 40.800 0.044 0.000 1.090 77 D HN 0.941 nan 8.370 nan 0.000 0.428 78 G N -0.267 108.575 108.800 0.071 0.000 2.653 78 G HA2 0.556 4.443 3.960 -0.123 0.000 0.265 78 G HA3 0.556 4.443 3.960 -0.123 0.000 0.265 78 G C -0.121 174.819 174.900 0.068 0.000 1.237 78 G CA -0.399 44.745 45.100 0.073 0.000 0.946 78 G HN 0.119 nan 8.290 nan 0.000 0.522 79 R N -0.560 119.977 120.500 0.061 0.000 2.575 79 R HA 0.439 4.706 4.340 -0.123 0.000 0.293 79 R C -0.476 175.846 176.300 0.036 0.000 0.983 79 R CA -0.551 55.576 56.100 0.046 0.000 0.887 79 R CB 1.620 31.942 30.300 0.036 0.000 1.184 79 R HN 0.706 nan 8.270 nan 0.000 0.445 80 I N -1.702 118.886 120.570 0.031 0.000 3.002 80 I HA 0.954 5.051 4.170 -0.123 0.000 0.310 80 I C -0.748 175.373 176.117 0.008 0.000 1.087 80 I CA -1.060 60.257 61.300 0.028 0.000 1.017 80 I CB 2.587 40.648 38.000 0.101 0.000 1.226 80 I HN 0.577 nan 8.210 nan 0.000 0.443 81 A N 3.643 126.463 122.820 0.000 0.000 2.485 81 A HA 0.922 5.168 4.320 -0.123 0.000 0.292 81 A C -1.427 176.135 177.584 -0.038 0.000 1.147 81 A CA -0.685 51.330 52.037 -0.037 0.000 0.750 81 A CB 1.656 20.622 19.000 -0.055 0.000 1.331 81 A HN 0.650 nan 8.150 nan 0.000 0.419 82 L N -0.288 120.857 121.223 -0.131 0.000 2.354 82 L HA 0.684 4.950 4.340 -0.123 0.000 0.269 82 L C -0.566 176.196 176.870 -0.180 0.000 1.005 82 L CA -0.251 54.468 54.840 -0.202 0.000 0.819 82 L CB 1.997 43.772 42.059 -0.473 0.000 1.311 82 L HN 0.728 nan 8.230 nan 0.000 0.423 83 C N 1.849 121.050 119.300 -0.165 0.000 2.654 83 C HA 0.823 5.209 4.460 -0.123 0.000 0.315 83 C C -0.565 174.360 174.990 -0.109 0.000 1.054 83 C CA -0.209 58.706 59.018 -0.172 0.000 1.419 83 C CB -0.195 27.438 27.740 -0.179 0.000 1.889 83 C HN 0.800 nan 8.230 nan 0.000 0.447 84 S N 4.278 119.960 115.700 -0.030 0.000 2.535 84 S HA 0.477 4.874 4.470 -0.123 0.000 0.272 84 S C -0.774 173.895 174.600 0.114 0.000 1.149 84 S CA -0.412 57.823 58.200 0.059 0.000 0.888 84 S CB 1.260 64.526 63.200 0.110 0.000 1.110 84 S HN 0.910 nan 8.310 nan 0.000 0.463 85 E N 2.942 123.164 120.200 0.037 0.000 2.416 85 E HA 0.138 4.415 4.350 -0.123 0.000 0.254 85 E C -0.600 175.988 176.600 -0.019 0.000 1.241 85 E CA -0.362 56.032 56.400 -0.010 0.000 0.969 85 E CB -0.016 29.667 29.700 -0.028 0.000 0.999 85 E HN 0.558 nan 8.360 nan 0.000 0.481 86 N N -0.050 118.536 118.700 -0.191 0.000 2.411 86 N HA 0.070 4.736 4.740 -0.123 0.000 0.265 86 N C -0.364 175.119 175.510 -0.045 0.000 1.266 86 N CA 0.137 52.996 53.050 -0.318 0.000 0.889 86 N CB -0.297 37.739 38.487 -0.751 0.000 1.069 86 N HN 0.569 nan 8.380 nan 0.000 0.476 87 C N 0.694 120.081 119.300 0.146 0.000 3.171 87 C HA 0.451 4.837 4.460 -0.123 0.000 0.308 87 C C 1.514 176.618 174.990 0.191 0.000 1.334 87 C CA -0.920 58.182 59.018 0.141 0.000 1.473 87 C CB 1.720 29.512 27.740 0.087 0.000 1.866 87 C HN 0.765 nan 8.230 nan 0.000 0.465 88 E N 0.744 121.011 120.200 0.111 0.000 2.333 88 E HA -0.208 4.069 4.350 -0.123 0.000 0.198 88 E C 0.857 177.273 176.600 -0.306 0.000 1.007 88 E CA 1.804 58.185 56.400 -0.031 0.000 0.845 88 E CB -0.243 29.542 29.700 0.142 0.000 0.766 88 E HN 0.869 nan 8.360 nan 0.000 0.507 89 E N -0.028 120.052 120.200 -0.199 0.000 2.478 89 E HA 0.087 4.364 4.350 -0.123 0.000 0.194 89 E C 1.215 177.660 176.600 -0.259 0.000 1.045 89 E CA -0.075 56.130 56.400 -0.324 0.000 0.868 89 E CB -0.444 29.113 29.700 -0.238 0.000 0.885 89 E HN 0.236 nan 8.360 nan 0.000 0.505 90 F N -0.008 119.760 119.950 -0.303 0.000 2.111 90 F HA -0.279 4.173 4.527 -0.124 0.000 0.300 90 F C 1.194 176.645 175.800 -0.582 0.000 1.088 90 F CA 1.555 59.310 58.000 -0.408 0.000 1.243 90 F CB -0.021 38.756 39.000 -0.371 0.000 0.996 90 F HN 0.062 nan 8.300 nan 0.000 0.483 91 F N -0.610 119.253 119.950 -0.145 0.000 2.789 91 F HA 0.077 4.531 4.527 -0.122 0.000 0.300 91 F C 1.947 177.602 175.800 -0.242 0.000 1.132 91 F CA 0.191 58.116 58.000 -0.125 0.000 1.404 91 F CB -0.490 38.507 39.000 -0.005 0.000 1.114 91 F HN -0.076 nan 8.300 nan 0.000 0.584 92 I N 0.916 121.285 120.570 -0.335 0.000 2.127 92 I HA -0.225 3.872 4.170 -0.123 0.000 0.241 92 I C -0.446 175.363 176.117 -0.513 0.000 1.075 92 I CA 1.447 62.435 61.300 -0.521 0.000 1.334 92 I CB -1.642 35.952 38.000 -0.676 0.000 1.040 92 I HN 0.014 nan 8.210 nan 0.000 0.405 93 P HA -0.107 nan 4.420 nan 0.000 0.217 93 P C 1.957 178.954 177.300 -0.506 0.000 1.150 93 P CA 1.120 63.734 63.100 -0.811 0.000 0.832 93 P CB 0.009 30.988 31.700 -1.202 0.000 0.787 94 V N -0.250 119.410 119.914 -0.424 0.000 2.261 94 V HA -0.239 3.808 4.120 -0.123 0.000 0.246 94 V C 2.368 178.351 176.094 -0.186 0.000 1.047 94 V CA 1.744 63.897 62.300 -0.246 0.000 1.015 94 V CB -1.076 30.666 31.823 -0.135 0.000 0.642 94 V HN 0.043 nan 8.190 nan 0.000 0.446 95 I N 0.307 120.749 120.570 -0.213 0.000 2.252 95 I HA -0.203 3.894 4.170 -0.123 0.000 0.245 95 I C 2.673 178.417 176.117 -0.622 0.000 1.102 95 I CA 1.387 62.457 61.300 -0.383 0.000 1.385 95 I CB -0.616 37.169 38.000 -0.359 0.000 1.064 95 I HN 0.278 nan 8.210 nan 0.000 0.414 96 A N 1.049 123.599 122.820 -0.450 0.000 1.908 96 A HA -0.152 4.094 4.320 -0.123 0.000 0.218 96 A C 2.452 179.998 177.584 -0.063 0.000 1.181 96 A CA 1.986 53.868 52.037 -0.259 0.000 0.627 96 A CB -1.505 17.364 19.000 -0.217 0.000 0.818 96 A HN 0.461 nan 8.150 nan 0.000 0.445 97 G N -0.183 108.557 108.800 -0.100 0.000 2.440 97 G HA2 -0.200 3.686 3.960 -0.123 0.000 0.218 97 G HA3 -0.200 3.686 3.960 -0.123 0.000 0.218 97 G C 1.544 176.501 174.900 0.096 0.000 1.154 97 G CA 1.098 46.199 45.100 0.002 0.000 0.767 97 G HN 0.446 nan 8.290 nan 0.000 0.552 98 L N -0.538 120.718 121.223 0.055 0.000 2.141 98 L HA 0.020 4.287 4.340 -0.123 0.000 0.209 98 L C 2.623 179.740 176.870 0.411 0.000 1.094 98 L CA 0.430 55.378 54.840 0.180 0.000 0.763 98 L CB -0.364 41.744 42.059 0.082 0.000 0.908 98 L HN 0.066 nan 8.230 nan 0.000 0.437 99 F N 0.298 120.383 119.950 0.225 0.000 2.293 99 F HA -0.114 4.353 4.527 -0.100 0.000 0.300 99 F C 2.164 178.128 175.800 0.273 0.000 1.086 99 F CA 0.986 59.155 58.000 0.283 0.000 1.375 99 F CB -0.420 38.814 39.000 0.391 0.000 1.045 99 F HN 0.134 nan 8.300 nan 0.000 0.516 100 I N -3.989 116.838 120.570 0.429 0.000 4.082 100 I HA 0.504 4.600 4.170 -0.123 0.000 0.337 100 I C 1.310 177.548 176.117 0.203 0.000 1.352 100 I CA 0.641 62.127 61.300 0.310 0.000 1.097 100 I CB 0.126 38.318 38.000 0.320 0.000 1.048 100 I HN 0.087 nan 8.210 nan 0.000 0.393 101 G N 1.989 110.919 108.800 0.216 0.000 2.160 101 G HA2 -0.191 3.695 3.960 -0.123 0.000 0.244 101 G HA3 -0.191 3.695 3.960 -0.123 0.000 0.244 101 G C -0.079 174.910 174.900 0.148 0.000 1.022 101 G CA 0.168 45.367 45.100 0.165 0.000 0.741 101 G HN 0.308 nan 8.290 nan 0.000 0.508 102 V N 0.662 120.667 119.914 0.152 0.000 2.427 102 V HA 0.707 4.753 4.120 -0.123 0.000 0.286 102 V C 1.307 177.462 176.094 0.102 0.000 1.034 102 V CA -0.033 62.336 62.300 0.115 0.000 0.893 102 V CB 1.607 33.493 31.823 0.106 0.000 0.982 102 V HN 0.771 nan 8.190 nan 0.000 0.452 103 G N 4.112 112.964 108.800 0.086 0.000 2.398 103 G HA2 0.402 4.288 3.960 -0.123 0.000 0.246 103 G HA3 0.402 4.288 3.960 -0.123 0.000 0.246 103 G C -0.516 174.406 174.900 0.037 0.000 1.289 103 G CA -0.088 45.052 45.100 0.067 0.000 0.869 103 G HN 0.586 nan 8.290 nan 0.000 0.543 104 V N 1.559 121.483 119.914 0.017 0.000 2.417 104 V HA 0.654 4.700 4.120 -0.123 0.000 0.291 104 V C 0.399 176.487 176.094 -0.009 0.000 1.024 104 V CA -0.798 61.489 62.300 -0.021 0.000 0.861 104 V CB 1.523 33.302 31.823 -0.074 0.000 0.985 104 V HN 1.043 nan 8.190 nan 0.000 0.436 105 A N 7.062 129.874 122.820 -0.014 0.000 2.316 105 A HA 0.810 5.056 4.320 -0.123 0.000 0.324 105 A C -2.780 174.796 177.584 -0.012 0.000 1.375 105 A CA -1.662 50.382 52.037 0.010 0.000 0.882 105 A CB 0.575 19.589 19.000 0.024 0.000 1.152 105 A HN 0.612 nan 8.150 nan 0.000 0.512 106 P HA 0.381 nan 4.420 nan 0.000 0.281 106 P C 0.046 177.404 177.300 0.097 0.000 1.252 106 P CA 0.174 63.308 63.100 0.057 0.000 0.778 106 P CB 1.425 33.236 31.700 0.186 0.000 0.895 107 T N -0.007 114.503 114.554 -0.074 0.000 2.916 107 T HA 0.472 4.749 4.350 -0.123 0.000 0.292 107 T C -0.590 173.798 174.700 -0.520 0.000 1.064 107 T CA -0.904 60.923 62.100 -0.455 0.000 1.011 107 T CB 1.379 69.769 68.868 -0.797 0.000 1.152 107 T HN 0.167 nan 8.240 nan 0.000 0.510 108 N N 0.504 118.603 118.700 -1.003 0.000 2.405 108 N HA 0.146 4.812 4.740 -0.123 0.000 0.299 108 N C 0.993 176.289 175.510 -0.357 0.000 1.075 108 N CA -0.462 52.267 53.050 -0.535 0.000 0.884 108 N CB 2.023 40.174 38.487 -0.560 0.000 1.194 108 N HN 0.921 nan 8.380 nan 0.000 0.491 109 E N 2.877 122.982 120.200 -0.158 0.000 2.187 109 E HA -0.210 4.067 4.350 -0.123 0.000 0.199 109 E C 1.353 177.950 176.600 -0.005 0.000 1.004 109 E CA 1.085 57.438 56.400 -0.078 0.000 0.813 109 E CB 0.071 29.746 29.700 -0.043 0.000 0.736 109 E HN 0.711 nan 8.360 nan 0.000 0.468 110 I N 0.865 121.455 120.570 0.034 0.000 3.444 110 I HA -0.138 3.959 4.170 -0.123 0.000 0.287 110 I C 0.026 176.241 176.117 0.163 0.000 1.302 110 I CA -0.040 61.309 61.300 0.082 0.000 1.368 110 I CB -0.015 38.024 38.000 0.065 0.000 1.048 110 I HN -0.066 nan 8.210 nan 0.000 0.487 111 Y N 1.654 121.918 120.300 -0.059 0.000 2.702 111 Y HA -0.005 4.471 4.550 -0.122 0.000 0.336 111 Y C 1.553 177.443 175.900 -0.016 0.000 1.235 111 Y CA -0.539 57.540 58.100 -0.035 0.000 1.492 111 Y CB -0.110 38.326 38.460 -0.039 0.000 1.308 111 Y HN 0.136 nan 8.280 nan 0.000 0.589 112 T N 0.263 114.876 114.554 0.098 0.000 2.856 112 T HA 0.148 4.425 4.350 -0.123 0.000 0.306 112 T C 1.380 176.137 174.700 0.094 0.000 1.062 112 T CA -0.660 61.479 62.100 0.065 0.000 1.083 112 T CB 0.560 69.440 68.868 0.021 0.000 0.984 112 T HN 0.644 nan 8.240 nan 0.000 0.542 113 L N 0.702 121.965 121.223 0.067 0.000 2.127 113 L HA -0.103 4.164 4.340 -0.123 0.000 0.211 113 L C 3.251 180.165 176.870 0.073 0.000 1.089 113 L CA 1.441 56.320 54.840 0.065 0.000 0.757 113 L CB -0.418 41.666 42.059 0.042 0.000 0.899 113 L HN 0.725 nan 8.230 nan 0.000 0.434 114 R N -0.262 120.272 120.500 0.057 0.000 2.081 114 R HA -0.165 4.101 4.340 -0.123 0.000 0.235 114 R C 2.179 178.528 176.300 0.082 0.000 1.131 114 R CA 1.473 57.605 56.100 0.053 0.000 0.960 114 R CB -0.239 30.072 30.300 0.020 0.000 0.856 114 R HN 0.424 nan 8.270 nan 0.000 0.436 115 E N 0.340 120.581 120.200 0.069 0.000 2.110 115 E HA -0.199 4.077 4.350 -0.123 0.000 0.193 115 E C 1.822 178.572 176.600 0.251 0.000 0.988 115 E CA 0.875 57.323 56.400 0.080 0.000 0.804 115 E CB -0.031 29.613 29.700 -0.094 0.000 0.745 115 E HN 0.089 nan 8.360 nan 0.000 0.458 116 L N 0.287 121.677 121.223 0.278 0.000 2.072 116 L HA -0.118 4.149 4.340 -0.123 0.000 0.205 116 L C 2.198 179.153 176.870 0.142 0.000 1.079 116 L CA 1.146 56.133 54.840 0.246 0.000 0.752 116 L CB -0.212 41.933 42.059 0.143 0.000 0.906 116 L HN -0.025 nan 8.230 nan 0.000 0.436 117 V N -1.039 118.946 119.914 0.119 0.000 2.343 117 V HA -0.338 3.708 4.120 -0.123 0.000 0.247 117 V C 2.454 178.609 176.094 0.102 0.000 1.051 117 V CA 2.083 64.435 62.300 0.087 0.000 1.036 117 V CB -0.687 31.182 31.823 0.076 0.000 0.654 117 V HN 0.617 nan 8.190 nan 0.000 0.451 118 H N -0.625 118.479 119.070 0.057 0.000 2.333 118 H HA -0.104 4.378 4.556 -0.123 0.000 0.302 118 H C 2.592 177.961 175.328 0.069 0.000 1.075 118 H CA 1.824 57.902 56.048 0.050 0.000 1.348 118 H CB -0.054 29.730 29.762 0.036 0.000 1.393 118 H HN 0.347 nan 8.280 nan 0.000 0.509 119 S N -0.487 115.337 115.700 0.206 0.000 2.353 119 S HA -0.114 4.282 4.470 -0.123 0.000 0.222 119 S C 2.099 176.743 174.600 0.073 0.000 1.035 119 S CA 1.514 59.821 58.200 0.179 0.000 1.025 119 S CB -0.373 63.025 63.200 0.330 0.000 0.902 119 S HN 0.465 nan 8.310 nan 0.000 0.440 120 L N 0.772 122.027 121.223 0.053 0.000 2.291 120 L HA 0.095 4.361 4.340 -0.123 0.000 0.214 120 L C 2.732 179.594 176.870 -0.014 0.000 1.120 120 L CA 0.774 55.620 54.840 0.010 0.000 0.799 120 L CB -0.913 41.144 42.059 -0.004 0.000 0.925 120 L HN 0.460 nan 8.230 nan 0.000 0.446 121 G N 0.530 109.308 108.800 -0.036 0.000 2.450 121 G HA2 -0.212 3.675 3.960 -0.123 0.000 0.220 121 G HA3 -0.212 3.675 3.960 -0.123 0.000 0.220 121 G C 1.580 176.424 174.900 -0.092 0.000 1.130 121 G CA 0.659 45.716 45.100 -0.072 0.000 0.760 121 G HN 0.302 nan 8.290 nan 0.000 0.557 122 I N 1.142 121.649 120.570 -0.106 0.000 2.400 122 I HA -0.083 4.014 4.170 -0.123 0.000 0.248 122 I C 2.987 179.095 176.117 -0.015 0.000 1.109 122 I CA 1.281 62.536 61.300 -0.076 0.000 1.425 122 I CB 0.015 37.968 38.000 -0.079 0.000 1.094 122 I HN 0.288 nan 8.210 nan 0.000 0.425 123 S N 0.009 115.711 115.700 0.002 0.000 2.446 123 S HA -0.006 4.390 4.470 -0.123 0.000 0.225 123 S C 0.864 175.471 174.600 0.012 0.000 1.016 123 S CA -0.040 58.171 58.200 0.019 0.000 0.943 123 S CB -0.168 63.049 63.200 0.029 0.000 0.786 123 S HN 0.273 nan 8.310 nan 0.000 0.508 124 K N 1.736 122.137 120.400 0.001 0.000 3.619 124 K HA -0.089 4.157 4.320 -0.123 0.000 0.275 124 K C -2.830 173.774 176.600 0.006 0.000 0.993 124 K CA 0.620 56.907 56.287 0.002 0.000 0.787 124 K CB -1.403 31.100 32.500 0.005 0.000 1.431 124 K HN 0.483 nan 8.250 nan 0.000 0.451 125 P HA 0.052 nan 4.420 nan 0.000 0.279 125 P C 0.325 177.620 177.300 -0.009 0.000 1.239 125 P CA -0.174 62.921 63.100 -0.008 0.000 0.789 125 P CB 1.461 33.143 31.700 -0.029 0.000 0.933 126 T N 1.858 116.415 114.554 0.006 0.000 2.896 126 T HA 0.120 4.396 4.350 -0.123 0.000 0.263 126 T C 1.040 175.719 174.700 -0.035 0.000 1.050 126 T CA 1.026 63.144 62.100 0.029 0.000 1.140 126 T CB -0.190 68.741 68.868 0.105 0.000 0.877 126 T HN 0.372 nan 8.240 nan 0.000 0.457 127 I N 1.005 121.493 120.570 -0.137 0.000 2.569 127 I HA 0.442 4.538 4.170 -0.123 0.000 0.296 127 I C -1.134 174.782 176.117 -0.335 0.000 1.028 127 I CA -1.114 59.984 61.300 -0.336 0.000 1.082 127 I CB 2.686 40.304 38.000 -0.638 0.000 1.264 127 I HN -0.231 nan 8.210 nan 0.000 0.429 128 V N 5.529 125.202 119.914 -0.402 0.000 2.409 128 V HA 0.360 4.406 4.120 -0.123 0.000 0.291 128 V C -0.631 175.173 176.094 -0.483 0.000 1.020 128 V CA -0.535 61.574 62.300 -0.318 0.000 0.848 128 V CB 1.264 32.962 31.823 -0.209 0.000 0.990 128 V HN 0.374 nan 8.190 nan 0.000 0.430 129 F N 3.171 122.951 119.950 -0.283 0.000 2.413 129 F HA 0.463 4.918 4.527 -0.120 0.000 0.359 129 F C 0.880 176.523 175.800 -0.262 0.000 1.122 129 F CA 0.304 58.125 58.000 -0.298 0.000 1.160 129 F CB 1.309 40.101 39.000 -0.346 0.000 1.146 129 F HN 0.467 nan 8.300 nan 0.000 0.514 130 S N 2.359 117.990 115.700 -0.116 0.000 2.537 130 S HA 0.577 4.974 4.470 -0.123 0.000 0.301 130 S C -0.026 174.512 174.600 -0.103 0.000 1.092 130 S CA -0.821 57.304 58.200 -0.126 0.000 1.048 130 S CB 0.883 63.980 63.200 -0.171 0.000 1.053 130 S HN 0.657 nan 8.310 nan 0.000 0.501 131 S N 3.663 119.308 115.700 -0.091 0.000 2.608 131 S HA 0.325 4.721 4.470 -0.123 0.000 0.261 131 S C 1.094 175.622 174.600 -0.121 0.000 1.314 131 S CA -0.454 57.690 58.200 -0.093 0.000 0.992 131 S CB 0.386 63.550 63.200 -0.060 0.000 0.935 131 S HN 0.822 nan 8.310 nan 0.000 0.564 132 K N 0.750 121.034 120.400 -0.194 0.000 2.044 132 K HA -0.161 4.085 4.320 -0.123 0.000 0.210 132 K C 2.170 178.733 176.600 -0.061 0.000 1.049 132 K CA 1.702 57.825 56.287 -0.273 0.000 0.927 132 K CB -0.273 31.907 32.500 -0.533 0.000 0.713 132 K HN 0.631 nan 8.250 nan 0.000 0.443 133 K N 0.154 120.519 120.400 -0.058 0.000 2.148 133 K HA -0.094 4.153 4.320 -0.123 0.000 0.204 133 K C 1.940 178.531 176.600 -0.015 0.000 1.050 133 K CA 1.274 57.552 56.287 -0.015 0.000 0.942 133 K CB -0.001 32.487 32.500 -0.020 0.000 0.724 133 K HN 0.257 nan 8.250 nan 0.000 0.446 134 G N 0.815 109.590 108.800 -0.041 0.000 2.777 134 G HA2 -0.122 3.764 3.960 -0.123 0.000 0.211 134 G HA3 -0.122 3.764 3.960 -0.123 0.000 0.211 134 G C 1.238 176.098 174.900 -0.067 0.000 1.149 134 G CA -0.091 44.977 45.100 -0.054 0.000 0.785 134 G HN 0.201 nan 8.290 nan 0.000 0.536 135 L N 1.132 122.318 121.223 -0.061 0.000 2.013 135 L HA -0.106 4.160 4.340 -0.123 0.000 0.212 135 L C 2.124 178.936 176.870 -0.096 0.000 1.073 135 L CA 2.073 56.847 54.840 -0.110 0.000 0.753 135 L CB -0.445 41.572 42.059 -0.069 0.000 0.890 135 L HN 0.084 nan 8.230 nan 0.000 0.432 136 D N -0.154 120.225 120.400 -0.036 0.000 2.106 136 D HA -0.235 4.332 4.640 -0.123 0.000 0.191 136 D C 2.140 178.424 176.300 -0.026 0.000 0.997 136 D CA 1.769 55.757 54.000 -0.019 0.000 0.834 136 D CB -0.116 40.686 40.800 0.004 0.000 0.956 136 D HN 0.439 nan 8.370 nan 0.000 0.448 137 K N 0.345 120.729 120.400 -0.026 0.000 2.057 137 K HA -0.081 4.166 4.320 -0.123 0.000 0.207 137 K C 2.258 178.836 176.600 -0.037 0.000 1.049 137 K CA 0.662 56.937 56.287 -0.020 0.000 0.931 137 K CB -0.132 32.359 32.500 -0.014 0.000 0.714 137 K HN 0.031 nan 8.250 nan 0.000 0.440 138 V N 1.869 121.741 119.914 -0.070 0.000 2.358 138 V HA -0.216 3.831 4.120 -0.123 0.000 0.246 138 V C 2.183 178.231 176.094 -0.076 0.000 1.047 138 V CA 1.487 63.734 62.300 -0.089 0.000 1.035 138 V CB -0.425 31.315 31.823 -0.138 0.000 0.658 138 V HN 0.265 nan 8.190 nan 0.000 0.452 139 I N 0.272 120.794 120.570 -0.081 0.000 2.264 139 I HA -0.260 3.836 4.170 -0.123 0.000 0.248 139 I C 2.439 178.553 176.117 -0.005 0.000 1.111 139 I CA 1.929 63.210 61.300 -0.033 0.000 1.382 139 I CB -0.578 37.415 38.000 -0.010 0.000 1.060 139 I HN 0.321 nan 8.210 nan 0.000 0.418 140 T N -0.043 114.507 114.554 -0.007 0.000 2.942 140 T HA -0.044 4.232 4.350 -0.123 0.000 0.265 140 T C 1.984 176.687 174.700 0.006 0.000 1.062 140 T CA 0.740 62.843 62.100 0.005 0.000 1.139 140 T CB -0.037 68.835 68.868 0.008 0.000 0.883 140 T HN 0.099 nan 8.240 nan 0.000 0.468 141 V N 1.604 121.517 119.914 -0.002 0.000 2.358 141 V HA -0.191 3.855 4.120 -0.123 0.000 0.246 141 V C 2.639 178.733 176.094 -0.000 0.000 1.047 141 V CA 1.624 63.925 62.300 0.001 0.000 1.035 141 V CB -0.619 31.200 31.823 -0.007 0.000 0.658 141 V HN 0.480 nan 8.190 nan 0.000 0.452 142 Q N -0.066 119.731 119.800 -0.006 0.000 2.181 142 Q HA -0.252 4.015 4.340 -0.123 0.000 0.205 142 Q C 2.250 178.256 176.000 0.010 0.000 0.980 142 Q CA 1.526 57.330 55.803 0.001 0.000 0.862 142 Q CB -0.017 28.725 28.738 0.006 0.000 0.905 142 Q HN 0.606 nan 8.270 nan 0.000 0.429 143 K N -0.880 119.527 120.400 0.012 0.000 2.147 143 K HA -0.088 4.159 4.320 -0.123 0.000 0.205 143 K C 1.920 178.527 176.600 0.013 0.000 1.049 143 K CA 1.602 57.898 56.287 0.014 0.000 0.936 143 K CB 0.033 32.542 32.500 0.015 0.000 0.722 143 K HN 0.218 nan 8.250 nan 0.000 0.446 144 T N 0.879 115.441 114.554 0.013 0.000 2.904 144 T HA 0.012 4.289 4.350 -0.123 0.000 0.243 144 T C 0.917 175.623 174.700 0.010 0.000 1.024 144 T CA 0.351 62.459 62.100 0.014 0.000 1.158 144 T CB 0.201 69.080 68.868 0.019 0.000 0.867 144 T HN -0.132 nan 8.240 nan 0.000 0.429 145 V N 4.120 124.038 119.914 0.007 0.000 2.223 145 V HA 0.142 4.188 4.120 -0.123 0.000 0.249 145 V C 1.649 177.744 176.094 0.002 0.000 1.233 145 V CA 0.187 62.488 62.300 0.001 0.000 1.131 145 V CB -0.545 31.276 31.823 -0.003 0.000 1.298 145 V HN 0.653 nan 8.190 nan 0.000 0.498 146 T N -1.182 113.376 114.554 0.005 0.000 3.148 146 T HA -0.091 4.186 4.350 -0.123 0.000 0.253 146 T C 1.469 176.175 174.700 0.010 0.000 1.134 146 T CA 0.709 62.814 62.100 0.008 0.000 1.051 146 T CB -0.326 68.547 68.868 0.009 0.000 0.959 146 T HN 0.648 nan 8.240 nan 0.000 0.525 147 T N 0.581 115.140 114.554 0.008 0.000 3.148 147 T HA 0.326 4.603 4.350 -0.123 0.000 0.253 147 T C 0.736 175.445 174.700 0.014 0.000 1.134 147 T CA -0.258 61.850 62.100 0.012 0.000 1.051 147 T CB -0.604 68.270 68.868 0.011 0.000 0.959 147 T HN 0.469 nan 8.240 nan 0.000 0.525 148 I N 2.442 123.016 120.570 0.005 0.000 2.406 148 I HA 0.120 4.216 4.170 -0.123 0.000 0.293 148 I C 1.611 177.737 176.117 0.015 0.000 1.101 148 I CA -0.437 60.861 61.300 -0.003 0.000 1.334 148 I CB 0.999 38.984 38.000 -0.024 0.000 1.421 148 I HN -0.010 nan 8.210 nan 0.000 0.513 149 K N 4.198 124.620 120.400 0.036 0.000 2.067 149 K HA 0.074 4.321 4.320 -0.123 0.000 0.203 149 K C 0.692 177.335 176.600 0.072 0.000 1.048 149 K CA 1.104 57.434 56.287 0.072 0.000 0.954 149 K CB 0.168 32.750 32.500 0.136 0.000 0.737 149 K HN 0.765 nan 8.250 nan 0.000 0.444 150 T N 0.239 114.807 114.554 0.023 0.000 2.893 150 T HA 0.597 4.873 4.350 -0.123 0.000 0.293 150 T C -0.627 173.978 174.700 -0.157 0.000 1.027 150 T CA -0.559 61.529 62.100 -0.020 0.000 0.988 150 T CB 1.603 70.461 68.868 -0.018 0.000 1.043 150 T HN 0.196 nan 8.240 nan 0.000 0.461 151 I N 2.380 122.896 120.570 -0.089 0.000 2.389 151 I HA 0.493 4.589 4.170 -0.123 0.000 0.288 151 I C -0.646 175.345 176.117 -0.210 0.000 0.999 151 I CA -1.031 60.148 61.300 -0.201 0.000 1.129 151 I CB 1.723 39.604 38.000 -0.199 0.000 1.288 151 I HN 0.262 nan 8.210 nan 0.000 0.444 152 V N 6.652 126.299 119.914 -0.445 0.000 2.459 152 V HA 0.400 4.446 4.120 -0.123 0.000 0.295 152 V C 0.146 176.125 176.094 -0.192 0.000 1.029 152 V CA -0.738 61.337 62.300 -0.375 0.000 0.874 152 V CB 1.915 33.273 31.823 -0.774 0.000 0.985 152 V HN 0.391 nan 8.190 nan 0.000 0.438 153 I N 5.333 125.870 120.570 -0.055 0.000 2.352 153 I HA 0.163 4.260 4.170 -0.123 0.000 0.290 153 I C 0.721 176.830 176.117 -0.013 0.000 1.036 153 I CA 0.026 61.306 61.300 -0.033 0.000 1.336 153 I CB 1.028 39.044 38.000 0.026 0.000 1.407 153 I HN 0.558 nan 8.210 nan 0.000 0.497 154 L N 5.708 126.910 121.223 -0.035 0.000 2.168 154 L HA 0.063 4.329 4.340 -0.123 0.000 0.203 154 L C 1.256 178.097 176.870 -0.049 0.000 1.078 154 L CA 1.547 56.367 54.840 -0.033 0.000 0.780 154 L CB -0.259 41.760 42.059 -0.068 0.000 0.939 154 L HN 0.710 nan 8.230 nan 0.000 0.451 155 D N -1.300 119.062 120.400 -0.063 0.000 2.755 155 D HA 0.167 4.734 4.640 -0.123 0.000 0.257 155 D C -0.047 176.214 176.300 -0.066 0.000 1.291 155 D CA 0.006 53.977 54.000 -0.048 0.000 0.836 155 D CB 0.124 40.895 40.800 -0.049 0.000 1.059 155 D HN 0.097 nan 8.370 nan 0.000 0.486 156 S N -0.301 115.367 115.700 -0.054 0.000 2.536 156 S HA 0.340 4.737 4.470 -0.123 0.000 0.287 156 S C 0.662 175.273 174.600 0.019 0.000 1.101 156 S CA -0.685 57.489 58.200 -0.042 0.000 0.950 156 S CB 1.707 64.856 63.200 -0.085 0.000 1.056 156 S HN -0.012 nan 8.310 nan 0.000 0.481 157 K N 1.394 121.814 120.400 0.033 0.000 2.314 157 K HA 0.143 4.389 4.320 -0.123 0.000 0.198 157 K C 0.769 177.404 176.600 0.058 0.000 1.045 157 K CA 0.689 57.004 56.287 0.048 0.000 0.988 157 K CB 0.106 32.630 32.500 0.041 0.000 0.783 157 K HN 0.609 nan 8.250 nan 0.000 0.484 158 V N -0.304 119.652 119.914 0.069 0.000 2.881 158 V HA 0.367 4.414 4.120 -0.123 0.000 0.316 158 V C -0.380 175.785 176.094 0.119 0.000 1.070 158 V CA -1.383 60.968 62.300 0.085 0.000 0.976 158 V CB 1.487 33.359 31.823 0.083 0.000 1.038 158 V HN -0.099 nan 8.190 nan 0.000 0.446 159 D N 1.246 121.716 120.400 0.118 0.000 2.478 159 D HA 0.196 4.763 4.640 -0.123 0.000 0.234 159 D C -0.888 175.542 176.300 0.217 0.000 1.154 159 D CA 1.015 55.105 54.000 0.150 0.000 0.874 159 D CB 0.171 41.033 40.800 0.104 0.000 1.198 159 D HN 0.814 nan 8.370 nan 0.000 0.455 160 Y N 1.008 121.361 120.300 0.088 0.000 2.331 160 Y HA 0.245 4.722 4.550 -0.122 0.000 0.326 160 Y C 0.027 176.016 175.900 0.148 0.000 1.020 160 Y CA -0.887 57.267 58.100 0.090 0.000 1.136 160 Y CB 0.928 39.428 38.460 0.066 0.000 1.157 160 Y HN 0.437 nan 8.280 nan 0.000 0.444 161 R N 4.120 124.458 120.500 -0.270 0.000 3.516 161 R HA -0.235 4.032 4.340 -0.123 0.000 0.271 161 R C 0.984 177.270 176.300 -0.024 0.000 1.098 161 R CA 1.221 57.205 56.100 -0.193 0.000 0.732 161 R CB -1.745 28.370 30.300 -0.308 0.000 1.152 161 R HN 1.468 nan 8.270 nan 0.000 0.455 162 G N -2.116 106.658 108.800 -0.044 0.000 2.176 162 G HA2 -0.357 3.530 3.960 -0.123 0.000 0.253 162 G HA3 -0.357 3.530 3.960 -0.123 0.000 0.253 162 G C -0.191 174.561 174.900 -0.246 0.000 0.979 162 G CA 0.350 45.359 45.100 -0.152 0.000 0.641 162 G HN 0.387 nan 8.290 nan 0.000 0.530 163 Y N 0.843 121.152 120.300 0.015 0.000 2.360 163 Y HA 0.574 5.050 4.550 -0.123 0.000 0.337 163 Y C 0.980 176.912 175.900 0.055 0.000 1.039 163 Y CA -0.827 57.291 58.100 0.031 0.000 1.109 163 Y CB 1.106 39.585 38.460 0.031 0.000 1.201 163 Y HN 0.198 nan 8.280 nan 0.000 0.458 164 Q N 2.561 122.473 119.800 0.186 0.000 2.286 164 Q HA 0.138 4.405 4.340 -0.123 0.000 0.290 164 Q C 0.037 176.125 176.000 0.146 0.000 1.049 164 Q CA -0.365 55.531 55.803 0.155 0.000 0.923 164 Q CB 0.405 29.250 28.738 0.178 0.000 1.183 164 Q HN 0.796 nan 8.270 nan 0.000 0.383 165 C N 1.144 120.525 119.300 0.134 0.000 2.563 165 C HA 0.232 4.619 4.460 -0.123 0.000 0.358 165 C C 1.786 176.848 174.990 0.119 0.000 1.336 165 C CA -0.910 58.172 59.018 0.106 0.000 2.454 165 C CB -0.266 27.531 27.740 0.095 0.000 2.448 165 C HN 1.036 nan 8.230 nan 0.000 0.670 166 L N 1.348 122.631 121.223 0.099 0.000 2.043 166 L HA -0.120 4.146 4.340 -0.123 0.000 0.212 166 L C 2.110 179.074 176.870 0.156 0.000 1.075 166 L CA 2.259 57.177 54.840 0.129 0.000 0.752 166 L CB -1.021 41.074 42.059 0.060 0.000 0.891 166 L HN 0.794 nan 8.230 nan 0.000 0.432 167 D N -1.351 119.115 120.400 0.111 0.000 2.144 167 D HA -0.141 4.426 4.640 -0.123 0.000 0.200 167 D C 2.042 178.406 176.300 0.106 0.000 0.978 167 D CA 1.765 55.824 54.000 0.097 0.000 0.833 167 D CB -0.181 40.663 40.800 0.074 0.000 0.961 167 D HN 0.401 nan 8.370 nan 0.000 0.470 168 T N 0.721 115.345 114.554 0.117 0.000 2.708 168 T HA -0.169 4.107 4.350 -0.123 0.000 0.266 168 T C 1.738 176.516 174.700 0.131 0.000 1.037 168 T CA 0.754 62.918 62.100 0.108 0.000 1.146 168 T CB -0.516 68.418 68.868 0.110 0.000 0.865 168 T HN 0.139 nan 8.240 nan 0.000 0.435 169 F N 1.315 121.283 119.950 0.030 0.000 2.171 169 F HA -0.042 4.411 4.527 -0.125 0.000 0.300 169 F C 1.931 177.746 175.800 0.025 0.000 1.090 169 F CA 0.992 59.006 58.000 0.024 0.000 1.293 169 F CB -0.335 38.669 39.000 0.006 0.000 1.013 169 F HN 0.102 nan 8.300 nan 0.000 0.486 170 I N 0.751 121.412 120.570 0.151 0.000 2.202 170 I HA -0.302 3.795 4.170 -0.123 0.000 0.242 170 I C 2.808 178.896 176.117 -0.048 0.000 1.091 170 I CA 1.715 63.035 61.300 0.033 0.000 1.368 170 I CB -1.045 37.004 38.000 0.082 0.000 1.058 170 I HN 0.172 nan 8.210 nan 0.000 0.410 171 K N 0.703 121.102 120.400 -0.003 0.000 2.032 171 K HA -0.189 4.057 4.320 -0.123 0.000 0.209 171 K C 2.287 178.856 176.600 -0.050 0.000 1.048 171 K CA 1.867 58.149 56.287 -0.009 0.000 0.927 171 K CB -1.273 31.238 32.500 0.019 0.000 0.712 171 K HN 0.219 nan 8.250 nan 0.000 0.441 172 R N 0.090 120.540 120.500 -0.082 0.000 2.280 172 R HA 0.051 4.317 4.340 -0.123 0.000 0.207 172 R C 0.955 177.150 176.300 -0.176 0.000 1.043 172 R CA 1.222 57.258 56.100 -0.107 0.000 1.006 172 R CB -0.767 29.482 30.300 -0.085 0.000 0.885 172 R HN 0.854 nan 8.270 nan 0.000 0.467 173 N N -0.678 117.868 118.700 -0.257 0.000 2.238 173 N HA 0.066 4.732 4.740 -0.123 0.000 0.235 173 N C -0.634 174.750 175.510 -0.210 0.000 1.209 173 N CA 0.189 53.070 53.050 -0.282 0.000 0.879 173 N CB 1.547 39.722 38.487 -0.520 0.000 1.136 173 N HN 0.326 nan 8.380 nan 0.000 0.517 174 T N -2.239 112.222 114.554 -0.156 0.000 2.893 174 T HA 0.569 4.845 4.350 -0.123 0.000 0.291 174 T C -2.966 171.696 174.700 -0.063 0.000 1.028 174 T CA -2.105 59.904 62.100 -0.152 0.000 0.995 174 T CB 2.106 70.894 68.868 -0.134 0.000 1.051 174 T HN -0.283 nan 8.240 nan 0.000 0.470 175 P HA 0.266 nan 4.420 nan 0.000 0.269 175 P C -1.920 175.428 177.300 0.080 0.000 1.215 175 P CA -1.302 61.816 63.100 0.029 0.000 0.780 175 P CB -0.088 31.648 31.700 0.061 0.000 0.898 176 P HA -0.024 nan 4.420 nan 0.000 0.226 176 P C 1.126 178.476 177.300 0.083 0.000 1.153 176 P CA 1.185 64.323 63.100 0.063 0.000 0.777 176 P CB -0.045 31.679 31.700 0.039 0.000 0.794 177 G N -1.843 107.018 108.800 0.101 0.000 3.284 177 G HA2 0.020 3.907 3.960 -0.123 0.000 0.236 177 G HA3 0.020 3.907 3.960 -0.123 0.000 0.236 177 G C -0.304 174.669 174.900 0.122 0.000 1.158 177 G CA -0.218 44.937 45.100 0.091 0.000 0.774 177 G HN 0.162 nan 8.290 nan 0.000 0.545 178 F N 2.188 122.150 119.950 0.020 0.000 2.445 178 F HA 0.546 5.000 4.527 -0.122 0.000 0.359 178 F C 0.467 176.286 175.800 0.031 0.000 1.101 178 F CA -0.607 57.411 58.000 0.029 0.000 1.177 178 F CB 0.689 39.706 39.000 0.029 0.000 1.110 178 F HN 0.193 nan 8.300 nan 0.000 0.522 179 Q N 4.522 123.972 119.800 -0.582 0.000 2.256 179 Q HA 0.638 4.904 4.340 -0.123 0.000 0.257 179 Q C 0.829 176.449 176.000 -0.635 0.000 0.936 179 Q CA -0.238 55.318 55.803 -0.413 0.000 0.903 179 Q CB 1.191 29.776 28.738 -0.254 0.000 1.263 179 Q HN 1.076 nan 8.270 nan 0.000 0.440 180 A N 1.070 123.752 122.820 -0.230 0.000 1.986 180 A HA -0.160 4.087 4.320 -0.123 0.000 0.220 180 A C 2.392 179.952 177.584 -0.041 0.000 1.171 180 A CA 2.550 54.555 52.037 -0.054 0.000 0.640 180 A CB -0.719 18.310 19.000 0.049 0.000 0.811 180 A HN 1.679 nan 8.150 nan 0.000 0.451 181 S N -0.257 115.385 115.700 -0.096 0.000 2.447 181 S HA -0.105 4.292 4.470 -0.123 0.000 0.233 181 S C 1.843 176.405 174.600 -0.062 0.000 1.006 181 S CA 1.470 59.640 58.200 -0.050 0.000 0.957 181 S CB -0.659 62.508 63.200 -0.055 0.000 0.773 181 S HN 0.900 nan 8.310 nan 0.000 0.507 182 S N 0.054 115.656 115.700 -0.163 0.000 2.603 182 S HA 0.196 4.592 4.470 -0.123 0.000 0.220 182 S C 0.158 174.805 174.600 0.078 0.000 0.967 182 S CA -0.763 57.372 58.200 -0.108 0.000 0.920 182 S CB -0.811 62.258 63.200 -0.219 0.000 0.773 182 S HN 0.495 nan 8.310 nan 0.000 0.529 183 F N 3.057 123.018 119.950 0.017 0.000 2.443 183 F HA 0.544 4.995 4.527 -0.126 0.000 0.353 183 F C 0.211 176.027 175.800 0.026 0.000 1.101 183 F CA -0.159 57.928 58.000 0.146 0.000 1.226 183 F CB 0.505 39.636 39.000 0.219 0.000 1.140 183 F HN 0.187 nan 8.300 nan 0.000 0.557 184 K N 3.323 123.229 120.400 -0.823 0.000 2.345 184 K HA 0.578 4.824 4.320 -0.123 0.000 0.255 184 K C -0.222 175.818 176.600 -0.932 0.000 0.934 184 K CA -0.341 55.543 56.287 -0.672 0.000 0.801 184 K CB 0.299 32.600 32.500 -0.331 0.000 1.137 184 K HN 0.852 nan 8.250 nan 0.000 0.424 185 T N -0.872 113.326 114.554 -0.592 0.000 2.926 185 T HA 0.367 4.644 4.350 -0.123 0.000 0.307 185 T C 0.391 174.978 174.700 -0.189 0.000 1.059 185 T CA -0.471 61.427 62.100 -0.338 0.000 1.122 185 T CB 0.676 69.419 68.868 -0.209 0.000 0.972 185 T HN 0.406 nan 8.240 nan 0.000 0.545 186 V N 3.250 123.127 119.914 -0.062 0.000 2.461 186 V HA 0.249 4.295 4.120 -0.123 0.000 0.275 186 V C 0.606 176.685 176.094 -0.026 0.000 1.047 186 V CA -0.712 61.567 62.300 -0.034 0.000 0.955 186 V CB 0.841 32.674 31.823 0.017 0.000 0.988 186 V HN 0.848 nan 8.190 nan 0.000 0.471 187 E N 3.345 123.518 120.200 -0.046 0.000 2.331 187 E HA 0.456 4.733 4.350 -0.123 0.000 0.272 187 E C -0.234 176.320 176.600 -0.078 0.000 1.036 187 E CA -0.049 56.319 56.400 -0.054 0.000 0.864 187 E CB 1.845 31.518 29.700 -0.045 0.000 1.035 187 E HN 0.598 nan 8.360 nan 0.000 0.408 188 V N -0.861 118.976 119.914 -0.128 0.000 3.126 188 V HA 0.421 4.467 4.120 -0.123 0.000 0.314 188 V C 0.008 176.029 176.094 -0.121 0.000 1.138 188 V CA -1.249 60.959 62.300 -0.153 0.000 1.034 188 V CB 2.060 33.702 31.823 -0.301 0.000 1.075 188 V HN 0.393 nan 8.190 nan 0.000 0.442 189 D N 1.055 121.402 120.400 -0.089 0.000 2.346 189 D HA 0.192 4.758 4.640 -0.123 0.000 0.260 189 D C 1.102 177.363 176.300 -0.065 0.000 1.252 189 D CA 0.299 54.262 54.000 -0.061 0.000 0.895 189 D CB 1.024 41.800 40.800 -0.039 0.000 1.097 189 D HN 0.591 nan 8.370 nan 0.000 0.489 190 R N 2.934 123.406 120.500 -0.047 0.000 2.075 190 R HA -0.129 4.137 4.340 -0.123 0.000 0.232 190 R C 2.050 178.357 176.300 0.012 0.000 1.126 190 R CA 1.698 57.791 56.100 -0.012 0.000 0.963 190 R CB -0.036 30.266 30.300 0.004 0.000 0.858 190 R HN 0.437 nan 8.270 nan 0.000 0.435 191 K N 1.003 121.396 120.400 -0.011 0.000 2.366 191 K HA -0.060 4.186 4.320 -0.123 0.000 0.198 191 K C 1.614 178.206 176.600 -0.013 0.000 1.044 191 K CA 1.091 57.367 56.287 -0.019 0.000 0.973 191 K CB 0.015 32.495 32.500 -0.034 0.000 0.767 191 K HN 0.175 nan 8.250 nan 0.000 0.475 192 E N -0.693 119.502 120.200 -0.007 0.000 2.290 192 E HA 0.025 4.302 4.350 -0.123 0.000 0.199 192 E C 0.274 176.884 176.600 0.016 0.000 0.912 192 E CA 0.008 56.407 56.400 -0.002 0.000 0.924 192 E CB 0.096 29.790 29.700 -0.009 0.000 0.901 192 E HN 0.502 nan 8.360 nan 0.000 0.487 193 Q N 1.945 121.758 119.800 0.021 0.000 2.262 193 Q HA 0.063 4.329 4.340 -0.123 0.000 0.272 193 Q C -0.703 175.378 176.000 0.135 0.000 1.076 193 Q CA 0.057 55.892 55.803 0.053 0.000 0.905 193 Q CB 0.467 29.192 28.738 -0.021 0.000 1.182 193 Q HN -0.178 nan 8.270 nan 0.000 0.390 194 V N 4.838 124.814 119.914 0.105 0.000 2.521 194 V HA 0.180 4.226 4.120 -0.123 0.000 0.286 194 V C 0.905 177.087 176.094 0.147 0.000 1.034 194 V CA 0.824 63.186 62.300 0.103 0.000 1.045 194 V CB 0.531 32.394 31.823 0.067 0.000 0.974 194 V HN 0.994 nan 8.190 nan 0.000 0.480 195 A N 5.655 128.540 122.820 0.108 0.000 1.920 195 A HA 0.486 4.732 4.320 -0.123 0.000 0.209 195 A C 0.506 178.110 177.584 0.032 0.000 1.229 195 A CA 0.494 52.552 52.037 0.035 0.000 0.671 195 A CB 0.178 19.051 19.000 -0.211 0.000 0.886 195 A HN 0.596 nan 8.150 nan 0.000 0.461 196 L N 0.628 121.881 121.223 0.049 0.000 2.401 196 L HA 0.484 4.750 4.340 -0.123 0.000 0.266 196 L C -1.369 175.545 176.870 0.074 0.000 0.991 196 L CA -0.541 54.337 54.840 0.063 0.000 0.818 196 L CB 2.429 44.550 42.059 0.104 0.000 1.321 196 L HN 0.165 nan 8.230 nan 0.000 0.413 197 I N 3.481 124.093 120.570 0.070 0.000 2.382 197 I HA 0.412 4.509 4.170 -0.123 0.000 0.285 197 I C -0.484 175.697 176.117 0.106 0.000 1.007 197 I CA -0.338 61.013 61.300 0.085 0.000 1.142 197 I CB 1.410 39.455 38.000 0.075 0.000 1.289 197 I HN 0.489 nan 8.210 nan 0.000 0.453 198 M N 5.178 124.850 119.600 0.120 0.000 2.537 198 M HA 0.425 4.831 4.480 -0.123 0.000 0.324 198 M C -0.400 175.998 176.300 0.163 0.000 1.187 198 M CA -0.503 54.876 55.300 0.132 0.000 0.993 198 M CB 1.604 34.266 32.600 0.103 0.000 1.666 198 M HN 0.406 nan 8.290 nan 0.000 0.461 199 N N -0.010 118.813 118.700 0.205 0.000 2.321 199 N HA 0.444 5.111 4.740 -0.123 0.000 0.299 199 N C -0.426 175.204 175.510 0.200 0.000 1.048 199 N CA -0.551 52.640 53.050 0.234 0.000 0.836 199 N CB 1.823 40.516 38.487 0.343 0.000 1.269 199 N HN 0.690 nan 8.380 nan 0.000 0.486 200 S N 0.608 116.414 115.700 0.177 0.000 2.617 200 S HA 0.316 4.712 4.470 -0.123 0.000 0.259 200 S C 0.569 175.330 174.600 0.267 0.000 1.301 200 S CA -0.822 57.504 58.200 0.210 0.000 0.984 200 S CB 0.774 64.076 63.200 0.170 0.000 0.954 200 S HN 0.567 nan 8.310 nan 0.000 0.572 207 P HA 0.173 nan 4.420 nan 0.000 0.266 207 P C -1.186 176.202 177.300 0.147 0.000 1.195 207 P CA -0.067 63.081 63.100 0.078 0.000 0.768 207 P CB 0.756 32.531 31.700 0.124 0.000 0.838 208 K N 0.589 121.036 120.400 0.078 0.000 2.118 208 K HA 0.506 4.753 4.320 -0.123 0.000 0.254 208 K C 0.576 177.277 176.600 0.169 0.000 0.961 208 K CA -0.792 55.530 56.287 0.057 0.000 0.876 208 K CB 1.501 33.862 32.500 -0.232 0.000 1.077 208 K HN 0.549 nan 8.250 nan 0.000 0.440 209 G N 1.153 110.064 108.800 0.184 0.000 2.448 209 G HA2 0.270 4.157 3.960 -0.123 0.000 0.309 209 G HA3 0.270 4.157 3.960 -0.123 0.000 0.309 209 G C -0.249 174.805 174.900 0.256 0.000 1.027 209 G CA -0.446 44.769 45.100 0.192 0.000 1.104 209 G HN 0.266 nan 8.290 nan 0.000 0.428 210 V N 3.726 123.777 119.914 0.227 0.000 2.427 210 V HA 0.119 4.165 4.120 -0.123 0.000 0.268 210 V C 0.391 176.525 176.094 0.066 0.000 1.046 210 V CA -0.212 62.170 62.300 0.137 0.000 0.970 210 V CB 0.721 32.610 31.823 0.109 0.000 1.001 210 V HN 0.724 nan 8.190 nan 0.000 0.476 211 Q N 5.350 125.162 119.800 0.019 0.000 2.322 211 Q HA 0.573 4.840 4.340 -0.123 0.000 0.256 211 Q C -0.938 175.058 176.000 -0.007 0.000 0.960 211 Q CA -0.165 55.650 55.803 0.019 0.000 0.934 211 Q CB 1.432 30.181 28.738 0.018 0.000 1.200 211 Q HN 0.635 nan 8.270 nan 0.000 0.435 212 L N 2.089 123.320 121.223 0.015 0.000 2.334 212 L HA 0.552 4.819 4.340 -0.123 0.000 0.276 212 L C 0.520 177.390 176.870 -0.001 0.000 1.014 212 L CA -0.807 54.026 54.840 -0.013 0.000 0.815 212 L CB 1.696 43.756 42.059 0.001 0.000 1.268 212 L HN 0.650 nan 8.230 nan 0.000 0.428 213 T N -3.929 110.612 114.554 -0.022 0.000 2.910 213 T HA 0.271 4.548 4.350 -0.123 0.000 0.279 213 T C 1.029 175.732 174.700 0.006 0.000 0.989 213 T CA -0.578 61.539 62.100 0.028 0.000 0.968 213 T CB 1.047 69.928 68.868 0.022 0.000 1.135 213 T HN 0.497 nan 8.240 nan 0.000 0.562 214 H N -0.561 118.489 119.070 -0.033 0.000 2.423 214 H HA -0.041 4.439 4.556 -0.127 0.000 0.297 214 H C 2.086 177.360 175.328 -0.091 0.000 1.075 214 H CA 1.791 57.814 56.048 -0.042 0.000 1.342 214 H CB 0.224 29.986 29.762 -0.000 0.000 1.395 214 H HN 0.741 nan 8.280 nan 0.000 0.530 215 E N 1.311 121.531 120.200 0.034 0.000 2.077 215 E HA -0.141 4.135 4.350 -0.123 0.000 0.193 215 E C 1.743 178.268 176.600 -0.125 0.000 0.989 215 E CA 1.389 57.761 56.400 -0.047 0.000 0.800 215 E CB -0.094 29.580 29.700 -0.043 0.000 0.746 215 E HN 0.497 nan 8.360 nan 0.000 0.452 216 N N -0.351 118.264 118.700 -0.141 0.000 2.069 216 N HA -0.165 4.502 4.740 -0.123 0.000 0.191 216 N C 1.834 177.149 175.510 -0.326 0.000 1.031 216 N CA 1.618 54.541 53.050 -0.212 0.000 0.852 216 N CB -0.181 38.176 38.487 -0.217 0.000 1.018 216 N HN 0.196 nan 8.380 nan 0.000 0.423 217 I N 0.723 121.085 120.570 -0.347 0.000 2.233 217 I HA -0.179 3.918 4.170 -0.123 0.000 0.243 217 I C 2.432 178.075 176.117 -0.789 0.000 1.093 217 I CA 0.824 61.806 61.300 -0.529 0.000 1.380 217 I CB -0.584 37.159 38.000 -0.429 0.000 1.067 217 I HN 0.107 nan 8.210 nan 0.000 0.413 218 V N -1.525 118.070 119.914 -0.532 0.000 2.594 218 V HA -0.217 3.830 4.120 -0.123 0.000 0.253 218 V C 2.216 178.169 176.094 -0.235 0.000 1.069 218 V CA 2.258 64.346 62.300 -0.352 0.000 1.082 218 V CB -1.441 30.347 31.823 -0.059 0.000 0.680 218 V HN 0.371 nan 8.190 nan 0.000 0.469 219 T N 0.701 115.088 114.554 -0.279 0.000 2.737 219 T HA -0.127 4.149 4.350 -0.123 0.000 0.265 219 T C 1.978 176.393 174.700 -0.475 0.000 1.038 219 T CA 1.882 63.794 62.100 -0.314 0.000 1.144 219 T CB -0.394 68.306 68.868 -0.281 0.000 0.866 219 T HN 0.513 nan 8.240 nan 0.000 0.434 220 R N 1.066 121.307 120.500 -0.432 0.000 2.119 220 R HA -0.101 4.165 4.340 -0.123 0.000 0.246 220 R C 1.845 178.130 176.300 -0.025 0.000 1.146 220 R CA 1.589 57.519 56.100 -0.284 0.000 0.962 220 R CB -1.184 28.950 30.300 -0.278 0.000 0.863 220 R HN 0.322 nan 8.270 nan 0.000 0.442 221 F N 0.002 119.877 119.950 -0.125 0.000 2.171 221 F HA -0.055 4.400 4.527 -0.120 0.000 0.300 221 F C 2.678 178.423 175.800 -0.091 0.000 1.090 221 F CA 1.320 59.255 58.000 -0.107 0.000 1.293 221 F CB -1.388 37.554 39.000 -0.096 0.000 1.013 221 F HN 0.185 nan 8.300 nan 0.000 0.486 222 S N -0.716 115.048 115.700 0.106 0.000 2.356 222 S HA -0.203 4.194 4.470 -0.123 0.000 0.223 222 S C 1.944 176.675 174.600 0.218 0.000 1.032 222 S CA 1.535 59.810 58.200 0.124 0.000 1.005 222 S CB -0.600 62.648 63.200 0.081 0.000 0.867 222 S HN 0.558 nan 8.310 nan 0.000 0.449 223 H N 0.571 119.710 119.070 0.115 0.000 2.353 223 H HA 0.035 4.518 4.556 -0.121 0.000 0.300 223 H C 2.580 177.983 175.328 0.124 0.000 1.090 223 H CA 0.857 56.972 56.048 0.112 0.000 1.327 223 H CB -0.268 29.520 29.762 0.043 0.000 1.383 223 H HN 0.567 nan 8.280 nan 0.000 0.508 224 A N 1.714 124.659 122.820 0.209 0.000 1.948 224 A HA -0.211 4.036 4.320 -0.123 0.000 0.220 224 A C 2.175 179.804 177.584 0.074 0.000 1.177 224 A CA 1.889 53.992 52.037 0.109 0.000 0.636 224 A CB -0.370 18.651 19.000 0.034 0.000 0.815 224 A HN 0.564 nan 8.150 nan 0.000 0.449 225 R N -0.675 119.869 120.500 0.075 0.000 2.362 225 R HA 0.169 4.436 4.340 -0.123 0.000 0.227 225 R C -0.322 176.133 176.300 0.259 0.000 0.905 225 R CA -0.037 56.094 56.100 0.051 0.000 1.067 225 R CB -0.276 29.934 30.300 -0.150 0.000 1.078 225 R HN 0.368 nan 8.270 nan 0.000 0.516 226 D N 3.076 123.658 120.400 0.303 0.000 2.425 226 D HA 0.036 4.602 4.640 -0.123 0.000 0.247 226 D C -1.429 174.973 176.300 0.170 0.000 1.147 226 D CA -1.617 52.580 54.000 0.329 0.000 0.879 226 D CB 1.700 42.713 40.800 0.355 0.000 1.179 226 D HN 0.025 nan 8.370 nan 0.000 0.456 227 P HA -0.056 nan 4.420 nan 0.000 0.229 227 P C 1.245 178.492 177.300 -0.088 0.000 1.160 227 P CA 0.402 63.459 63.100 -0.073 0.000 0.777 227 P CB 0.565 32.097 31.700 -0.281 0.000 0.814 228 I N -2.348 118.160 120.570 -0.103 0.000 3.039 228 I HA 0.013 4.110 4.170 -0.123 0.000 0.270 228 I C 1.955 177.850 176.117 -0.370 0.000 1.150 228 I CA 0.650 61.790 61.300 -0.267 0.000 1.448 228 I CB -1.543 36.225 38.000 -0.387 0.000 1.197 228 I HN -0.135 nan 8.210 nan 0.000 0.450 229 Y N 0.758 121.070 120.300 0.020 0.000 2.462 229 Y HA 0.421 4.897 4.550 -0.124 0.000 0.261 229 Y C 1.689 177.613 175.900 0.041 0.000 1.146 229 Y CA 0.188 58.290 58.100 0.003 0.000 1.283 229 Y CB 0.030 38.453 38.460 -0.062 0.000 1.090 229 Y HN 0.061 nan 8.280 nan 0.000 0.526 230 G N -0.781 108.125 108.800 0.177 0.000 3.302 230 G HA2 0.291 4.177 3.960 -0.123 0.000 0.170 230 G HA3 0.291 4.177 3.960 -0.123 0.000 0.170 230 G C -0.870 174.124 174.900 0.156 0.000 1.119 230 G CA -0.789 44.415 45.100 0.172 0.000 0.826 230 G HN -0.043 nan 8.290 nan 0.000 0.646 231 N N 0.324 119.134 118.700 0.183 0.000 2.269 231 N HA 0.539 5.206 4.740 -0.123 0.000 0.304 231 N C -0.190 175.435 175.510 0.191 0.000 1.072 231 N CA -0.277 52.912 53.050 0.231 0.000 0.802 231 N CB 1.794 40.548 38.487 0.445 0.000 1.348 231 N HN 0.743 nan 8.380 nan 0.000 0.484 232 Q N 0.636 120.544 119.800 0.180 0.000 2.313 232 Q HA 0.257 4.523 4.340 -0.123 0.000 0.266 232 Q C 0.435 176.545 176.000 0.184 0.000 0.989 232 Q CA -0.403 55.485 55.803 0.143 0.000 0.890 232 Q CB 0.020 28.814 28.738 0.095 0.000 1.200 232 Q HN 0.515 nan 8.270 nan 0.000 0.396 233 V N 2.497 122.463 119.914 0.085 0.000 2.625 233 V HA 0.230 4.276 4.120 -0.123 0.000 0.305 233 V C 0.875 177.051 176.094 0.138 0.000 1.055 233 V CA 1.637 63.965 62.300 0.046 0.000 1.209 233 V CB 0.756 32.592 31.823 0.022 0.000 0.877 233 V HN 1.122 nan 8.190 nan 0.000 0.489 234 S N 6.442 122.259 115.700 0.194 0.000 2.849 234 S HA 0.312 4.709 4.470 -0.123 0.000 0.141 234 S C -2.672 172.013 174.600 0.142 0.000 1.109 234 S CA -0.931 57.372 58.200 0.171 0.000 1.106 234 S CB 0.738 64.036 63.200 0.164 0.000 1.637 234 S HN 0.547 nan 8.310 nan 0.000 0.457 235 P HA 0.302 nan 4.420 nan 0.000 0.265 235 P C 1.202 178.492 177.300 -0.016 0.000 1.187 235 P CA 1.885 64.923 63.100 -0.104 0.000 0.766 235 P CB 0.339 31.968 31.700 -0.119 0.000 0.820 236 G N 1.414 110.209 108.800 -0.009 0.000 2.284 236 G HA2 -0.250 3.636 3.960 -0.123 0.000 0.247 236 G HA3 -0.250 3.636 3.960 -0.123 0.000 0.247 236 G C 0.405 175.279 174.900 -0.043 0.000 1.012 236 G CA 0.215 45.315 45.100 0.001 0.000 0.618 236 G HN 0.640 nan 8.290 nan 0.000 0.521 237 T N 2.204 116.704 114.554 -0.090 0.000 2.871 237 T HA 0.462 4.738 4.350 -0.123 0.000 0.296 237 T C 0.718 175.223 174.700 -0.325 0.000 0.998 237 T CA 0.799 62.740 62.100 -0.264 0.000 1.162 237 T CB 1.025 69.592 68.868 -0.502 0.000 0.947 237 T HN 1.364 nan 8.240 nan 0.000 0.536 238 A N 3.730 126.387 122.820 -0.272 0.000 2.301 238 A HA 0.631 4.877 4.320 -0.123 0.000 0.298 238 A C -0.069 177.300 177.584 -0.357 0.000 1.185 238 A CA -0.630 51.257 52.037 -0.251 0.000 0.830 238 A CB 0.792 19.719 19.000 -0.123 0.000 1.112 238 A HN 0.720 nan 8.150 nan 0.000 0.508 239 V N 4.486 124.166 119.914 -0.389 0.000 2.540 239 V HA 0.625 4.671 4.120 -0.123 0.000 0.302 239 V C -1.145 174.771 176.094 -0.296 0.000 1.035 239 V CA -0.815 61.229 62.300 -0.426 0.000 0.873 239 V CB 1.550 32.953 31.823 -0.700 0.000 0.992 239 V HN 0.932 nan 8.190 nan 0.000 0.428 240 L N 6.193 127.282 121.223 -0.222 0.000 2.264 240 L HA 0.718 4.985 4.340 -0.123 0.000 0.289 240 L C -0.005 176.830 176.870 -0.058 0.000 1.044 240 L CA 0.745 55.499 54.840 -0.144 0.000 0.807 240 L CB 1.459 43.422 42.059 -0.159 0.000 1.192 240 L HN 0.844 nan 8.230 nan 0.000 0.425 241 T N 4.213 118.764 114.554 -0.004 0.000 2.807 241 T HA 0.502 4.778 4.350 -0.123 0.000 0.279 241 T C 0.375 175.083 174.700 0.014 0.000 0.993 241 T CA -0.167 61.961 62.100 0.047 0.000 0.970 241 T CB 1.005 69.972 68.868 0.164 0.000 0.950 241 T HN 0.590 nan 8.240 nan 0.000 0.441 242 V N 3.398 123.298 119.914 -0.024 0.000 3.276 242 V HA 0.469 4.516 4.120 -0.123 0.000 0.319 242 V C 0.452 176.441 176.094 -0.174 0.000 1.427 242 V CA -0.128 62.136 62.300 -0.060 0.000 1.102 242 V CB -0.441 31.401 31.823 0.031 0.000 1.020 242 V HN 0.700 nan 8.190 nan 0.000 0.456 243 V N -1.239 118.526 119.914 -0.249 0.000 2.644 243 V HA 0.681 4.727 4.120 -0.123 0.000 0.295 243 V C -2.249 173.662 176.094 -0.305 0.000 1.053 243 V CA -2.304 59.782 62.300 -0.356 0.000 0.987 243 V CB 0.972 32.321 31.823 -0.790 0.000 1.006 243 V HN 0.267 nan 8.190 nan 0.000 0.472 244 P HA 0.141 nan 4.420 nan 0.000 0.267 244 P C 0.079 177.330 177.300 -0.082 0.000 1.205 244 P CA 0.106 63.101 63.100 -0.175 0.000 0.765 244 P CB 0.526 32.233 31.700 0.011 0.000 0.828 245 F N 1.919 121.689 119.950 -0.300 0.000 2.325 245 F HA -0.116 4.340 4.527 -0.118 0.000 0.299 245 F C 2.590 178.152 175.800 -0.397 0.000 1.090 245 F CA 1.118 58.816 58.000 -0.503 0.000 1.392 245 F CB -1.405 36.795 39.000 -1.334 0.000 1.053 245 F HN 0.536 nan 8.300 nan 0.000 0.521 246 H N -1.380 117.656 119.070 -0.056 0.000 2.495 246 H HA -0.070 4.413 4.556 -0.123 0.000 0.287 246 H C 0.643 176.097 175.328 0.209 0.000 1.033 246 H CA 0.863 57.033 56.048 0.203 0.000 1.307 246 H CB -0.938 28.959 29.762 0.225 0.000 1.401 246 H HN 0.209 nan 8.280 nan 0.000 0.555 247 H N 0.562 119.208 119.070 -0.707 0.000 2.511 247 H HA 0.163 4.646 4.556 -0.122 0.000 0.346 247 H C 1.121 176.429 175.328 -0.035 0.000 1.128 247 H CA 0.492 56.308 56.048 -0.386 0.000 1.342 247 H CB 1.608 31.148 29.762 -0.371 0.000 1.470 247 H HN 0.358 nan 8.280 nan 0.000 0.546 248 G N 3.971 112.571 108.800 -0.333 0.000 2.475 248 G HA2 -0.323 3.563 3.960 -0.123 0.000 0.220 248 G HA3 -0.323 3.563 3.960 -0.123 0.000 0.220 248 G C 1.290 176.406 174.900 0.359 0.000 1.125 248 G CA 0.287 45.441 45.100 0.090 0.000 0.755 248 G HN 0.612 nan 8.290 nan 0.000 0.565 249 F N 2.472 122.618 119.950 0.327 0.000 2.043 249 F HA -0.066 4.386 4.527 -0.124 0.000 0.297 249 F C 2.541 178.456 175.800 0.191 0.000 1.121 249 F CA 1.516 59.680 58.000 0.274 0.000 1.199 249 F CB -0.925 38.238 39.000 0.271 0.000 0.968 249 F HN 0.148 nan 8.300 nan 0.000 0.478 250 G N -0.647 108.324 108.800 0.284 0.000 2.408 250 G HA2 -0.220 3.666 3.960 -0.123 0.000 0.215 250 G HA3 -0.220 3.666 3.960 -0.123 0.000 0.215 250 G C 1.563 176.591 174.900 0.214 0.000 1.156 250 G CA 0.745 45.982 45.100 0.228 0.000 0.793 250 G HN 0.352 nan 8.290 nan 0.000 0.535 251 M N 0.324 119.967 119.600 0.072 0.000 2.065 251 M HA 0.102 4.509 4.480 -0.123 0.000 0.259 251 M C 1.788 177.888 176.300 -0.333 0.000 1.069 251 M CA 1.487 56.685 55.300 -0.169 0.000 1.110 251 M CB -0.530 31.703 32.600 -0.611 0.000 1.328 251 M HN 0.157 nan 8.290 nan 0.000 0.405 252 F N -0.921 119.084 119.950 0.091 0.000 2.698 252 F HA 0.133 4.584 4.527 -0.126 0.000 0.295 252 F C 2.333 178.086 175.800 -0.078 0.000 1.124 252 F CA 1.090 59.100 58.000 0.016 0.000 1.426 252 F CB -1.338 37.664 39.000 0.004 0.000 1.120 252 F HN 0.304 nan 8.300 nan 0.000 0.583 253 T N -3.394 111.171 114.554 0.018 0.000 2.770 253 T HA -0.140 4.137 4.350 -0.123 0.000 0.263 253 T C 1.987 176.218 174.700 -0.782 0.000 1.039 253 T CA 1.846 63.739 62.100 -0.345 0.000 1.142 253 T CB -0.973 67.806 68.868 -0.149 0.000 0.868 253 T HN 0.128 nan 8.240 nan 0.000 0.435 254 T N 2.583 116.887 114.554 -0.417 0.000 2.708 254 T HA 0.096 4.372 4.350 -0.123 0.000 0.266 254 T C 1.944 176.342 174.700 -0.502 0.000 1.037 254 T CA 1.252 63.074 62.100 -0.463 0.000 1.146 254 T CB -0.559 67.917 68.868 -0.654 0.000 0.865 254 T HN 0.270 nan 8.240 nan 0.000 0.435 255 L N 0.676 121.682 121.223 -0.363 0.000 2.046 255 L HA 0.009 4.275 4.340 -0.123 0.000 0.208 255 L C 3.031 179.804 176.870 -0.161 0.000 1.077 255 L CA 1.293 56.026 54.840 -0.178 0.000 0.747 255 L CB -0.964 41.179 42.059 0.140 0.000 0.896 255 L HN 0.357 nan 8.230 nan 0.000 0.432 256 G N -0.931 107.784 108.800 -0.140 0.000 2.432 256 G HA2 -0.277 3.610 3.960 -0.123 0.000 0.219 256 G HA3 -0.277 3.610 3.960 -0.123 0.000 0.219 256 G C 1.270 175.993 174.900 -0.295 0.000 1.135 256 G CA 0.515 45.495 45.100 -0.199 0.000 0.767 256 G HN 0.244 nan 8.290 nan 0.000 0.550 257 Y N 0.666 120.818 120.300 -0.246 0.000 2.242 257 Y HA 0.067 4.542 4.550 -0.125 0.000 0.291 257 Y C 2.762 178.415 175.900 -0.411 0.000 1.137 257 Y CA 0.129 58.015 58.100 -0.356 0.000 1.181 257 Y CB -0.781 37.582 38.460 -0.161 0.000 0.989 257 Y HN 0.094 nan 8.280 nan 0.000 0.527 258 L N -0.920 120.200 121.223 -0.172 0.000 2.083 258 L HA -0.217 4.050 4.340 -0.123 0.000 0.209 258 L C 2.195 179.052 176.870 -0.023 0.000 1.083 258 L CA 0.737 55.552 54.840 -0.042 0.000 0.752 258 L CB -0.575 41.446 42.059 -0.064 0.000 0.899 258 L HN 0.176 nan 8.230 nan 0.000 0.433 259 I N -0.275 120.137 120.570 -0.264 0.000 2.208 259 I HA -0.311 3.785 4.170 -0.123 0.000 0.245 259 I C 2.412 178.335 176.117 -0.324 0.000 1.097 259 I CA 1.431 62.475 61.300 -0.426 0.000 1.363 259 I CB -1.152 36.389 38.000 -0.764 0.000 1.051 259 I HN 0.408 nan 8.210 nan 0.000 0.413 260 C N 0.411 119.417 119.300 -0.490 0.000 2.539 260 C HA 0.270 4.657 4.460 -0.123 0.000 0.268 260 C C 1.909 176.417 174.990 -0.804 0.000 1.395 260 C CA 0.629 59.227 59.018 -0.700 0.000 1.757 260 C CB -0.959 26.007 27.740 -1.289 0.000 1.851 260 C HN 0.788 nan 8.230 nan 0.000 0.545 261 G N -0.087 108.167 108.800 -0.910 0.000 2.141 261 G HA2 -0.221 3.666 3.960 -0.123 0.000 0.242 261 G HA3 -0.221 3.666 3.960 -0.123 0.000 0.242 261 G C -0.002 174.677 174.900 -0.368 0.000 0.982 261 G CA -0.355 43.898 45.100 -1.413 0.000 0.662 261 G HN 0.309 nan 8.290 nan 0.000 0.527 262 F N 0.461 120.257 119.950 -0.255 0.000 2.485 262 F HA 0.468 4.925 4.527 -0.117 0.000 0.327 262 F C 1.325 177.020 175.800 -0.176 0.000 1.203 262 F CA -1.175 56.698 58.000 -0.213 0.000 1.295 262 F CB 0.465 39.302 39.000 -0.271 0.000 1.191 262 F HN 0.129 nan 8.300 nan 0.000 0.588 263 R N 1.295 121.792 120.500 -0.006 0.000 2.202 263 R HA 0.471 4.738 4.340 -0.123 0.000 0.334 263 R C -1.633 174.516 176.300 -0.252 0.000 1.036 263 R CA -0.333 55.688 56.100 -0.130 0.000 0.878 263 R CB 0.538 30.786 30.300 -0.086 0.000 1.067 263 R HN 0.429 nan 8.270 nan 0.000 0.457 264 V N 6.318 125.991 119.914 -0.402 0.000 2.353 264 V HA 0.145 4.191 4.120 -0.123 0.000 0.264 264 V C 0.004 175.941 176.094 -0.261 0.000 1.049 264 V CA -0.569 61.486 62.300 -0.408 0.000 0.896 264 V CB 1.232 32.633 31.823 -0.703 0.000 1.025 264 V HN 0.486 nan 8.190 nan 0.000 0.475 265 V N 6.840 126.618 119.914 -0.225 0.000 2.385 265 V HA 0.385 4.431 4.120 -0.123 0.000 0.269 265 V C 0.148 176.189 176.094 -0.089 0.000 1.043 265 V CA -0.198 61.963 62.300 -0.231 0.000 0.906 265 V CB 1.290 32.887 31.823 -0.376 0.000 0.995 265 V HN 0.883 nan 8.190 nan 0.000 0.467 266 M N 6.572 126.168 119.600 -0.006 0.000 2.294 266 M HA 0.653 5.060 4.480 -0.123 0.000 0.335 266 M C -1.836 174.469 176.300 0.008 0.000 1.079 266 M CA -0.848 54.501 55.300 0.080 0.000 0.982 266 M CB 1.710 34.472 32.600 0.270 0.000 1.651 266 M HN 0.592 nan 8.290 nan 0.000 0.437 267 L N 5.801 127.020 121.223 -0.006 0.000 2.372 267 L HA 0.447 4.714 4.340 -0.123 0.000 0.273 267 L C 0.583 177.443 176.870 -0.016 0.000 0.989 267 L CA 0.053 54.899 54.840 0.010 0.000 0.841 267 L CB 1.748 43.850 42.059 0.071 0.000 1.225 267 L HN 0.950 nan 8.230 nan 0.000 0.414 268 T N 0.699 115.237 114.554 -0.027 0.000 2.643 268 T HA 0.179 4.455 4.350 -0.123 0.000 0.256 268 T C 0.871 175.563 174.700 -0.014 0.000 1.061 268 T CA 1.049 63.115 62.100 -0.056 0.000 1.163 268 T CB -0.454 68.389 68.868 -0.042 0.000 0.865 268 T HN 0.574 nan 8.240 nan 0.000 0.407 269 K N 1.304 121.713 120.400 0.014 0.000 2.211 269 K HA 0.579 4.825 4.320 -0.123 0.000 0.275 269 K C -0.694 175.953 176.600 0.079 0.000 1.024 269 K CA -1.013 55.302 56.287 0.046 0.000 0.887 269 K CB -0.174 32.341 32.500 0.026 0.000 1.084 269 K HN 0.444 nan 8.250 nan 0.000 0.463 270 F N 1.985 121.928 119.950 -0.011 0.000 2.429 270 F HA 0.459 4.912 4.527 -0.123 0.000 0.348 270 F C 0.133 175.937 175.800 0.007 0.000 1.109 270 F CA 0.100 58.096 58.000 -0.006 0.000 1.232 270 F CB 1.118 40.086 39.000 -0.053 0.000 1.157 270 F HN 0.734 nan 8.300 nan 0.000 0.564 271 D N 3.801 123.520 120.400 -1.136 0.000 2.931 271 D HA 0.098 4.664 4.640 -0.123 0.000 0.215 271 D C 0.329 176.082 176.300 -0.912 0.000 1.297 271 D CA -0.399 53.136 54.000 -0.774 0.000 0.892 271 D CB 1.205 41.822 40.800 -0.306 0.000 1.642 271 D HN 0.678 nan 8.370 nan 0.000 0.560 272 E N 2.364 122.195 120.200 -0.616 0.000 2.049 272 E HA -0.276 4.000 4.350 -0.123 0.000 0.198 272 E C 1.048 177.571 176.600 -0.128 0.000 1.007 272 E CA 1.404 57.639 56.400 -0.276 0.000 0.809 272 E CB 0.277 29.969 29.700 -0.013 0.000 0.749 272 E HN 0.659 nan 8.360 nan 0.000 0.450 273 E N -0.889 119.246 120.200 -0.108 0.000 2.072 273 E HA -0.131 4.145 4.350 -0.123 0.000 0.191 273 E C 2.040 178.561 176.600 -0.133 0.000 0.985 273 E CA 1.603 57.967 56.400 -0.061 0.000 0.801 273 E CB 0.100 29.809 29.700 0.015 0.000 0.750 273 E HN 0.278 nan 8.360 nan 0.000 0.452 274 T N 0.753 115.230 114.554 -0.128 0.000 2.746 274 T HA -0.164 4.113 4.350 -0.123 0.000 0.267 274 T C 1.451 176.086 174.700 -0.109 0.000 1.039 274 T CA 1.039 63.075 62.100 -0.106 0.000 1.142 274 T CB -0.427 68.380 68.868 -0.100 0.000 0.866 274 T HN 0.195 nan 8.240 nan 0.000 0.444 275 F N 1.925 121.698 119.950 -0.295 0.000 2.065 275 F HA -0.115 4.338 4.527 -0.123 0.000 0.298 275 F C 1.893 177.582 175.800 -0.185 0.000 1.112 275 F CA 1.326 59.204 58.000 -0.203 0.000 1.212 275 F CB -0.491 38.399 39.000 -0.182 0.000 0.975 275 F HN 0.056 nan 8.300 nan 0.000 0.476 276 L N -0.006 121.030 121.223 -0.312 0.000 2.072 276 L HA -0.176 4.090 4.340 -0.123 0.000 0.205 276 L C 2.529 178.972 176.870 -0.712 0.000 1.079 276 L CA 1.621 56.094 54.840 -0.611 0.000 0.752 276 L CB -0.822 40.715 42.059 -0.869 0.000 0.906 276 L HN 0.120 nan 8.230 nan 0.000 0.436 277 K N 0.082 120.133 120.400 -0.582 0.000 2.032 277 K HA -0.187 4.060 4.320 -0.123 0.000 0.209 277 K C 2.015 178.545 176.600 -0.117 0.000 1.048 277 K CA 2.053 58.216 56.287 -0.206 0.000 0.927 277 K CB -0.128 32.347 32.500 -0.043 0.000 0.712 277 K HN 0.160 nan 8.250 nan 0.000 0.441 278 T N 1.981 116.462 114.554 -0.121 0.000 2.652 278 T HA -0.155 4.121 4.350 -0.123 0.000 0.267 278 T C 1.819 176.497 174.700 -0.037 0.000 1.039 278 T CA 1.671 63.774 62.100 0.005 0.000 1.153 278 T CB -0.279 68.557 68.868 -0.054 0.000 0.863 278 T HN 0.173 nan 8.240 nan 0.000 0.428 279 L N 0.809 121.882 121.223 -0.249 0.000 2.081 279 L HA -0.230 4.037 4.340 -0.123 0.000 0.212 279 L C 2.923 179.731 176.870 -0.103 0.000 1.080 279 L CA 1.622 56.324 54.840 -0.230 0.000 0.754 279 L CB -0.532 41.315 42.059 -0.354 0.000 0.893 279 L HN 0.389 nan 8.230 nan 0.000 0.433 280 Q N -0.098 119.653 119.800 -0.082 0.000 1.994 280 Q HA -0.205 4.062 4.340 -0.123 0.000 0.198 280 Q C 1.686 177.653 176.000 -0.055 0.000 0.976 280 Q CA 1.693 57.484 55.803 -0.019 0.000 0.828 280 Q CB 0.097 28.879 28.738 0.074 0.000 0.894 280 Q HN 0.395 nan 8.270 nan 0.000 0.432 281 D N -0.542 119.798 120.400 -0.099 0.000 2.218 281 D HA -0.135 4.432 4.640 -0.123 0.000 0.204 281 D C 0.774 176.795 176.300 -0.465 0.000 0.976 281 D CA 1.091 54.928 54.000 -0.272 0.000 0.853 281 D CB 0.034 40.620 40.800 -0.357 0.000 0.939 281 D HN 0.393 nan 8.370 nan 0.000 0.481 282 Y N 0.096 120.353 120.300 -0.072 0.000 2.467 282 Y HA 0.202 4.678 4.550 -0.122 0.000 0.250 282 Y C 0.341 176.185 175.900 -0.092 0.000 1.155 282 Y CA -0.340 57.713 58.100 -0.079 0.000 1.249 282 Y CB 0.256 38.661 38.460 -0.091 0.000 1.146 282 Y HN -0.250 nan 8.280 nan 0.000 0.524 283 K N -0.631 119.769 120.400 0.001 0.000 3.148 283 K HA -0.225 4.022 4.320 -0.123 0.000 0.267 283 K C -0.418 176.150 176.600 -0.054 0.000 0.996 283 K CA 0.363 56.631 56.287 -0.032 0.000 0.737 283 K CB -2.406 30.071 32.500 -0.038 0.000 1.308 283 K HN 0.261 nan 8.250 nan 0.000 0.470 284 C N 0.485 119.746 119.300 -0.065 0.000 2.596 284 C HA -0.000 4.386 4.460 -0.123 0.000 0.414 284 C C 2.260 177.157 174.990 -0.154 0.000 1.396 284 C CA -0.060 58.880 59.018 -0.129 0.000 1.698 284 C CB 0.522 28.167 27.740 -0.159 0.000 2.572 284 C HN 0.517 nan 8.230 nan 0.000 0.604 285 T N 1.029 115.460 114.554 -0.205 0.000 3.054 285 T HA 0.032 4.308 4.350 -0.123 0.000 0.259 285 T C 0.640 175.219 174.700 -0.201 0.000 1.092 285 T CA 1.052 63.031 62.100 -0.202 0.000 1.121 285 T CB 0.075 68.783 68.868 -0.267 0.000 0.912 285 T HN 0.755 nan 8.240 nan 0.000 0.489 286 S N -0.248 115.311 115.700 -0.234 0.000 2.570 286 S HA 0.673 5.069 4.470 -0.123 0.000 0.270 286 S C -1.963 172.527 174.600 -0.184 0.000 1.149 286 S CA -0.631 57.451 58.200 -0.196 0.000 0.837 286 S CB 1.994 65.066 63.200 -0.214 0.000 1.124 286 S HN 0.011 nan 8.310 nan 0.000 0.465 287 V N 4.214 124.055 119.914 -0.122 0.000 2.808 287 V HA 0.749 4.796 4.120 -0.123 0.000 0.308 287 V C -1.408 174.690 176.094 0.007 0.000 1.099 287 V CA -0.653 61.601 62.300 -0.077 0.000 0.920 287 V CB 1.665 33.436 31.823 -0.087 0.000 1.014 287 V HN 0.925 nan 8.190 nan 0.000 0.425 288 I N 6.950 127.549 120.570 0.048 0.000 2.406 288 I HA 0.713 4.810 4.170 -0.123 0.000 0.290 288 I C -1.270 174.871 176.117 0.040 0.000 0.999 288 I CA -0.293 61.069 61.300 0.104 0.000 1.124 288 I CB 1.190 39.300 38.000 0.183 0.000 1.289 288 I HN 0.683 nan 8.210 nan 0.000 0.441 289 L N 7.216 128.500 121.223 0.102 0.000 2.376 289 L HA 0.630 4.897 4.340 -0.123 0.000 0.258 289 L C -0.550 176.446 176.870 0.209 0.000 1.013 289 L CA -1.269 53.603 54.840 0.054 0.000 0.822 289 L CB 1.879 43.912 42.059 -0.044 0.000 1.388 289 L HN 0.395 nan 8.230 nan 0.000 0.413 290 V N -1.514 118.471 119.914 0.118 0.000 2.732 290 V HA 0.328 4.375 4.120 -0.123 0.000 0.297 290 V C -2.052 174.163 176.094 0.200 0.000 1.060 290 V CA -1.138 61.284 62.300 0.204 0.000 1.038 290 V CB 0.822 32.701 31.823 0.094 0.000 1.003 290 V HN 0.626 nan 8.190 nan 0.000 0.481 291 P HA -0.064 nan 4.420 nan 0.000 0.219 291 P C 1.633 179.015 177.300 0.136 0.000 1.146 291 P CA 1.628 64.830 63.100 0.170 0.000 0.808 291 P CB -0.119 31.584 31.700 0.004 0.000 0.779 292 T N 0.079 114.643 114.554 0.016 0.000 2.699 292 T HA -0.160 4.117 4.350 -0.123 0.000 0.268 292 T C 1.663 176.281 174.700 -0.137 0.000 1.036 292 T CA 1.159 63.206 62.100 -0.089 0.000 1.147 292 T CB -0.947 67.848 68.868 -0.121 0.000 0.862 292 T HN 0.140 nan 8.240 nan 0.000 0.446 293 L N -0.525 120.590 121.223 -0.180 0.000 2.201 293 L HA 0.022 4.288 4.340 -0.123 0.000 0.212 293 L C 2.244 178.946 176.870 -0.280 0.000 1.105 293 L CA 0.961 55.549 54.840 -0.421 0.000 0.775 293 L CB -0.715 40.937 42.059 -0.679 0.000 0.913 293 L HN 0.195 nan 8.230 nan 0.000 0.440 294 F N 0.724 120.573 119.950 -0.167 0.000 2.202 294 F HA -0.237 4.216 4.527 -0.123 0.000 0.301 294 F C 2.643 178.418 175.800 -0.043 0.000 1.082 294 F CA 1.301 59.260 58.000 -0.068 0.000 1.313 294 F CB -0.652 38.329 39.000 -0.030 0.000 1.024 294 F HN 0.042 nan 8.300 nan 0.000 0.495 295 A N 0.271 123.142 122.820 0.085 0.000 1.883 295 A HA -0.175 4.071 4.320 -0.123 0.000 0.217 295 A C 2.147 179.777 177.584 0.077 0.000 1.186 295 A CA 1.866 53.916 52.037 0.022 0.000 0.624 295 A CB -1.070 17.834 19.000 -0.160 0.000 0.822 295 A HN 0.309 nan 8.150 nan 0.000 0.444 296 I N 0.066 120.677 120.570 0.069 0.000 2.163 296 I HA -0.260 3.837 4.170 -0.123 0.000 0.243 296 I C 2.311 178.506 176.117 0.130 0.000 1.085 296 I CA 1.193 62.590 61.300 0.163 0.000 1.347 296 I CB -0.294 37.798 38.000 0.153 0.000 1.044 296 I HN 0.282 nan 8.210 nan 0.000 0.408 297 L N 0.031 121.297 121.223 0.072 0.000 2.201 297 L HA -0.172 4.094 4.340 -0.123 0.000 0.212 297 L C 2.173 179.125 176.870 0.137 0.000 1.105 297 L CA 1.286 56.205 54.840 0.131 0.000 0.775 297 L CB -0.878 41.267 42.059 0.144 0.000 0.913 297 L HN 0.366 nan 8.230 nan 0.000 0.440 298 N N 0.331 119.111 118.700 0.134 0.000 2.270 298 N HA -0.137 4.529 4.740 -0.123 0.000 0.181 298 N C 1.749 177.311 175.510 0.087 0.000 1.016 298 N CA 0.959 54.080 53.050 0.119 0.000 0.870 298 N CB 0.191 38.756 38.487 0.130 0.000 0.979 298 N HN -0.075 nan 8.380 nan 0.000 0.431 299 K N -0.678 119.782 120.400 0.100 0.000 2.379 299 K HA 0.211 4.457 4.320 -0.123 0.000 0.194 299 K C 0.599 177.245 176.600 0.078 0.000 1.031 299 K CA 0.114 56.454 56.287 0.089 0.000 1.037 299 K CB -0.070 32.501 32.500 0.119 0.000 0.824 299 K HN 0.306 nan 8.250 nan 0.000 0.516 300 S N 1.578 117.331 115.700 0.088 0.000 2.525 300 S HA -0.009 4.387 4.470 -0.123 0.000 0.285 300 S C 0.752 175.386 174.600 0.057 0.000 1.283 300 S CA -0.031 58.221 58.200 0.087 0.000 1.072 300 S CB 0.345 63.614 63.200 0.116 0.000 0.867 300 S HN 0.434 nan 8.310 nan 0.000 0.492 301 E N 3.814 124.047 120.200 0.057 0.000 2.479 301 E HA 0.107 4.384 4.350 -0.123 0.000 0.193 301 E C 1.042 177.674 176.600 0.052 0.000 1.049 301 E CA 0.142 56.566 56.400 0.039 0.000 0.870 301 E CB 0.113 29.831 29.700 0.029 0.000 0.944 301 E HN 0.684 nan 8.360 nan 0.000 0.492 302 L N 0.053 121.333 121.223 0.094 0.000 2.416 302 L HA -0.008 4.258 4.340 -0.123 0.000 0.216 302 L C 1.839 178.835 176.870 0.210 0.000 1.098 302 L CA -0.055 54.882 54.840 0.161 0.000 0.840 302 L CB -0.052 42.155 42.059 0.245 0.000 0.981 302 L HN 0.151 nan 8.230 nan 0.000 0.462 303 L N 0.769 122.066 121.223 0.123 0.000 2.085 303 L HA -0.314 3.952 4.340 -0.123 0.000 0.218 303 L C 2.171 179.089 176.870 0.080 0.000 1.080 303 L CA 1.902 56.780 54.840 0.064 0.000 0.776 303 L CB -0.919 41.062 42.059 -0.130 0.000 0.891 303 L HN 0.336 nan 8.230 nan 0.000 0.437 304 N N -0.717 118.003 118.700 0.034 0.000 2.409 304 N HA -0.097 4.570 4.740 -0.123 0.000 0.179 304 N C 1.324 176.819 175.510 -0.024 0.000 1.032 304 N CA 0.747 53.796 53.050 -0.002 0.000 0.898 304 N CB 0.065 38.539 38.487 -0.023 0.000 0.971 304 N HN 0.281 nan 8.380 nan 0.000 0.441 305 K N -0.716 119.647 120.400 -0.062 0.000 2.505 305 K HA 0.014 4.260 4.320 -0.123 0.000 0.192 305 K C -0.631 175.675 176.600 -0.489 0.000 1.025 305 K CA 0.305 56.430 56.287 -0.270 0.000 1.086 305 K CB 0.163 32.443 32.500 -0.367 0.000 0.840 305 K HN 0.229 nan 8.250 nan 0.000 0.514 306 Y N -0.279 120.013 120.300 -0.014 0.000 2.499 306 Y HA 0.142 4.618 4.550 -0.122 0.000 0.347 306 Y C -0.213 175.681 175.900 -0.010 0.000 0.987 306 Y CA -1.913 56.181 58.100 -0.011 0.000 1.044 306 Y CB 1.279 39.740 38.460 0.000 0.000 1.245 306 Y HN -0.136 nan 8.280 nan 0.000 0.461 307 D N 2.846 123.329 120.400 0.139 0.000 2.352 307 D HA 0.214 4.781 4.640 -0.123 0.000 0.245 307 D C -0.262 176.091 176.300 0.088 0.000 1.224 307 D CA 0.365 54.411 54.000 0.078 0.000 0.879 307 D CB 0.485 41.306 40.800 0.036 0.000 1.057 307 D HN 0.601 nan 8.370 nan 0.000 0.491 308 L N 2.927 124.207 121.223 0.095 0.000 3.066 308 L HA 0.080 4.346 4.340 -0.123 0.000 0.265 308 L C 1.954 178.878 176.870 0.090 0.000 1.232 308 L CA -0.168 54.739 54.840 0.112 0.000 1.031 308 L CB 0.130 42.319 42.059 0.217 0.000 1.379 308 L HN 0.313 nan 8.230 nan 0.000 0.563 309 S N -1.210 114.523 115.700 0.054 0.000 2.442 309 S HA -0.149 4.247 4.470 -0.123 0.000 0.236 309 S C 1.338 175.951 174.600 0.021 0.000 1.007 309 S CA 1.367 59.590 58.200 0.038 0.000 0.965 309 S CB -0.389 62.824 63.200 0.022 0.000 0.773 309 S HN 0.536 nan 8.310 nan 0.000 0.504 310 N N 0.848 119.550 118.700 0.004 0.000 2.446 310 N HA 0.195 4.862 4.740 -0.123 0.000 0.179 310 N C 0.022 175.509 175.510 -0.039 0.000 1.054 310 N CA 0.065 53.101 53.050 -0.023 0.000 0.905 310 N CB -0.211 38.253 38.487 -0.039 0.000 0.973 310 N HN 0.312 nan 8.380 nan 0.000 0.448 311 L N 1.710 122.918 121.223 -0.025 0.000 2.500 311 L HA 0.061 4.328 4.340 -0.123 0.000 0.272 311 L C 0.814 177.662 176.870 -0.037 0.000 1.149 311 L CA 0.085 54.891 54.840 -0.057 0.000 0.897 311 L CB 0.784 42.806 42.059 -0.061 0.000 1.178 311 L HN 0.082 nan 8.230 nan 0.000 0.473 312 V N 1.256 121.134 119.914 -0.061 0.000 3.605 312 V HA 0.440 4.486 4.120 -0.123 0.000 0.284 312 V C 0.332 176.406 176.094 -0.034 0.000 1.386 312 V CA 0.060 62.338 62.300 -0.036 0.000 1.053 312 V CB -0.172 31.627 31.823 -0.041 0.000 0.857 312 V HN 0.817 nan 8.190 nan 0.000 0.436 313 E N 0.338 120.502 120.200 -0.060 0.000 2.304 313 E HA 0.546 4.823 4.350 -0.123 0.000 0.277 313 E C -1.824 174.739 176.600 -0.062 0.000 0.898 313 E CA -0.708 55.669 56.400 -0.038 0.000 0.764 313 E CB 2.595 32.280 29.700 -0.025 0.000 1.216 313 E HN 0.374 nan 8.360 nan 0.000 0.419 314 I N 3.195 123.750 120.570 -0.025 0.000 2.418 314 I HA 0.531 4.628 4.170 -0.123 0.000 0.287 314 I C -0.339 175.842 176.117 0.107 0.000 1.008 314 I CA -0.637 60.653 61.300 -0.018 0.000 1.104 314 I CB 1.600 39.549 38.000 -0.085 0.000 1.264 314 I HN 0.551 nan 8.210 nan 0.000 0.438 315 A N 4.704 127.607 122.820 0.139 0.000 2.337 315 A HA 0.843 5.090 4.320 -0.123 0.000 0.331 315 A C -0.537 177.235 177.584 0.315 0.000 1.137 315 A CA -0.458 51.706 52.037 0.211 0.000 0.807 315 A CB 1.904 21.029 19.000 0.208 0.000 1.250 315 A HN 0.599 nan 8.150 nan 0.000 0.468 316 S N -0.353 115.532 115.700 0.308 0.000 2.588 316 S HA 0.890 5.286 4.470 -0.123 0.000 0.275 316 S C -0.308 174.422 174.600 0.217 0.000 1.130 316 S CA 0.214 58.622 58.200 0.347 0.000 0.855 316 S CB 1.760 65.110 63.200 0.249 0.000 1.116 316 S HN 2.221 nan 8.310 nan 0.000 0.472 317 G N -0.168 108.740 108.800 0.179 0.000 2.495 317 G HA2 0.562 4.449 3.960 -0.123 0.000 0.294 317 G HA3 0.562 4.449 3.960 -0.123 0.000 0.294 317 G C 0.395 175.133 174.900 -0.269 0.000 1.397 317 G CA 0.112 45.062 45.100 -0.251 0.000 0.790 317 G HN 1.965 nan 8.290 nan 0.000 0.486 318 G N -1.502 107.070 108.800 -0.379 0.000 2.308 318 G HA2 0.398 4.285 3.960 -0.123 0.000 0.221 318 G HA3 0.398 4.285 3.960 -0.123 0.000 0.221 318 G C 0.568 175.443 174.900 -0.043 0.000 1.032 318 G CA 1.363 46.342 45.100 -0.201 0.000 0.623 318 G HN 2.552 nan 8.290 nan 0.000 0.506 319 A N -0.437 122.375 122.820 -0.013 0.000 2.608 319 A HA 0.788 5.034 4.320 -0.123 0.000 0.292 319 A C -3.109 174.473 177.584 -0.004 0.000 1.066 319 A CA -0.473 51.570 52.037 0.009 0.000 0.676 319 A CB 0.698 19.704 19.000 0.010 0.000 1.277 319 A HN 0.270 nan 8.150 nan 0.000 0.413 320 P HA 0.376 nan 4.420 nan 0.000 0.266 320 P C -0.903 176.363 177.300 -0.056 0.000 1.195 320 P CA 0.057 63.144 63.100 -0.022 0.000 0.768 320 P CB 0.366 32.060 31.700 -0.009 0.000 0.838 321 L N 2.535 123.705 121.223 -0.088 0.000 2.325 321 L HA 0.433 4.700 4.340 -0.123 0.000 0.281 321 L C 0.058 176.852 176.870 -0.127 0.000 1.004 321 L CA -0.522 54.221 54.840 -0.161 0.000 0.823 321 L CB 1.530 43.418 42.059 -0.285 0.000 1.236 321 L HN 0.256 nan 8.230 nan 0.000 0.415 322 S N 4.186 119.819 115.700 -0.112 0.000 2.629 322 S HA -0.021 4.375 4.470 -0.123 0.000 0.302 322 S C 1.408 175.965 174.600 -0.072 0.000 1.244 322 S CA 0.591 58.752 58.200 -0.065 0.000 1.098 322 S CB -0.042 63.133 63.200 -0.040 0.000 0.858 322 S HN 0.897 nan 8.310 nan 0.000 0.502 323 K N 3.969 124.351 120.400 -0.030 0.000 2.103 323 K HA -0.197 4.049 4.320 -0.123 0.000 0.207 323 K C 1.355 177.953 176.600 -0.002 0.000 1.048 323 K CA 2.102 58.382 56.287 -0.012 0.000 0.930 323 K CB -0.142 32.377 32.500 0.032 0.000 0.716 323 K HN 0.681 nan 8.250 nan 0.000 0.444 324 E N 0.283 120.488 120.200 0.008 0.000 2.107 324 E HA -0.101 4.175 4.350 -0.123 0.000 0.191 324 E C 1.947 178.567 176.600 0.033 0.000 0.982 324 E CA 1.089 57.504 56.400 0.024 0.000 0.809 324 E CB 0.037 29.756 29.700 0.032 0.000 0.756 324 E HN 0.086 nan 8.360 nan 0.000 0.459 325 V N 0.328 120.255 119.914 0.022 0.000 2.323 325 V HA -0.145 3.901 4.120 -0.123 0.000 0.244 325 V C 2.241 178.379 176.094 0.074 0.000 1.041 325 V CA 1.904 64.234 62.300 0.050 0.000 1.025 325 V CB -1.041 30.803 31.823 0.035 0.000 0.656 325 V HN 0.428 nan 8.190 nan 0.000 0.451 326 G N -0.479 108.301 108.800 -0.034 0.000 2.476 326 G HA2 -0.274 3.612 3.960 -0.123 0.000 0.218 326 G HA3 -0.274 3.612 3.960 -0.123 0.000 0.218 326 G C 1.469 176.420 174.900 0.084 0.000 1.164 326 G CA 1.057 46.130 45.100 -0.045 0.000 0.768 326 G HN 0.558 nan 8.290 nan 0.000 0.560 327 E N 0.416 120.650 120.200 0.057 0.000 2.051 327 E HA -0.079 4.198 4.350 -0.123 0.000 0.192 327 E C 2.987 179.646 176.600 0.099 0.000 0.991 327 E CA 0.819 57.262 56.400 0.072 0.000 0.799 327 E CB -0.226 29.504 29.700 0.049 0.000 0.748 327 E HN 0.405 nan 8.360 nan 0.000 0.449 328 A N 0.847 123.727 122.820 0.099 0.000 1.908 328 A HA -0.164 4.082 4.320 -0.123 0.000 0.218 328 A C 2.481 180.155 177.584 0.149 0.000 1.181 328 A CA 1.319 53.419 52.037 0.104 0.000 0.627 328 A CB -0.645 18.409 19.000 0.091 0.000 0.818 328 A HN 0.130 nan 8.150 nan 0.000 0.445 329 V N -0.289 119.759 119.914 0.224 0.000 2.427 329 V HA -0.205 3.841 4.120 -0.123 0.000 0.248 329 V C 3.034 179.344 176.094 0.360 0.000 1.051 329 V CA 1.773 64.270 62.300 0.330 0.000 1.048 329 V CB -1.187 30.920 31.823 0.473 0.000 0.666 329 V HN 0.621 nan 8.190 nan 0.000 0.456 330 A N -0.285 122.699 122.820 0.274 0.000 1.902 330 A HA -0.225 4.021 4.320 -0.123 0.000 0.217 330 A C 2.420 180.120 177.584 0.192 0.000 1.181 330 A CA 1.644 53.816 52.037 0.225 0.000 0.623 330 A CB -0.534 18.558 19.000 0.154 0.000 0.818 330 A HN 0.358 nan 8.150 nan 0.000 0.443 331 R N -0.366 120.219 120.500 0.143 0.000 2.081 331 R HA -0.084 4.183 4.340 -0.123 0.000 0.235 331 R C 2.375 178.722 176.300 0.079 0.000 1.131 331 R CA 1.516 57.674 56.100 0.097 0.000 0.960 331 R CB -0.412 29.930 30.300 0.071 0.000 0.856 331 R HN 0.562 nan 8.270 nan 0.000 0.436 332 R N -0.943 119.602 120.500 0.075 0.000 2.081 332 R HA -0.104 4.163 4.340 -0.123 0.000 0.235 332 R C 1.805 178.023 176.300 -0.137 0.000 1.131 332 R CA 1.251 57.323 56.100 -0.047 0.000 0.960 332 R CB -0.211 30.029 30.300 -0.099 0.000 0.856 332 R HN 0.162 nan 8.270 nan 0.000 0.436 333 F N 0.782 120.767 119.950 0.058 0.000 2.773 333 F HA 0.141 4.595 4.527 -0.122 0.000 0.304 333 F C 0.700 176.523 175.800 0.039 0.000 1.129 333 F CA -0.132 57.897 58.000 0.049 0.000 1.378 333 F CB -0.152 38.879 39.000 0.052 0.000 1.095 333 F HN 0.031 nan 8.300 nan 0.000 0.565 334 N N 1.558 120.356 118.700 0.163 0.000 2.740 334 N HA -0.210 4.456 4.740 -0.123 0.000 0.248 334 N C -0.744 174.833 175.510 0.111 0.000 1.062 334 N CA 0.498 53.613 53.050 0.109 0.000 0.704 334 N CB -1.124 37.409 38.487 0.077 0.000 0.968 334 N HN 0.272 nan 8.380 nan 0.000 0.547 335 L N -0.343 120.959 121.223 0.131 0.000 2.313 335 L HA 0.452 4.719 4.340 -0.123 0.000 0.268 335 L C -0.996 175.921 176.870 0.079 0.000 1.010 335 L CA -1.731 53.167 54.840 0.097 0.000 0.814 335 L CB 0.925 43.044 42.059 0.101 0.000 1.304 335 L HN -0.176 nan 8.230 nan 0.000 0.441 336 P HA 0.054 nan 4.420 nan 0.000 0.217 336 P C 0.268 177.598 177.300 0.050 0.000 1.151 336 P CA 0.506 63.633 63.100 0.046 0.000 0.828 336 P CB 0.346 32.065 31.700 0.033 0.000 0.788 337 G N -2.242 106.593 108.800 0.058 0.000 2.490 337 G HA2 0.422 4.308 3.960 -0.123 0.000 0.308 337 G HA3 0.422 4.308 3.960 -0.123 0.000 0.308 337 G C -1.897 173.050 174.900 0.079 0.000 1.286 337 G CA -0.412 44.724 45.100 0.061 0.000 0.825 337 G HN -0.148 nan 8.290 nan 0.000 0.479 338 V N 0.446 120.405 119.914 0.076 0.000 2.483 338 V HA 0.594 4.640 4.120 -0.123 0.000 0.295 338 V C 0.394 176.530 176.094 0.069 0.000 1.035 338 V CA -0.667 61.695 62.300 0.103 0.000 0.896 338 V CB 1.484 33.370 31.823 0.106 0.000 0.986 338 V HN 0.714 nan 8.190 nan 0.000 0.447 339 R N 3.622 124.176 120.500 0.089 0.000 2.210 339 R HA 0.320 4.587 4.340 -0.123 0.000 0.338 339 R C -0.138 176.215 176.300 0.087 0.000 1.062 339 R CA -0.010 56.136 56.100 0.077 0.000 0.902 339 R CB 0.370 30.721 30.300 0.085 0.000 1.050 339 R HN 0.725 nan 8.270 nan 0.000 0.461 340 Q N 1.842 121.672 119.800 0.050 0.000 2.235 340 Q HA 0.471 4.737 4.340 -0.123 0.000 0.256 340 Q C -0.377 175.647 176.000 0.040 0.000 0.951 340 Q CA -0.864 54.961 55.803 0.037 0.000 0.890 340 Q CB 2.255 30.986 28.738 -0.011 0.000 1.279 340 Q HN 0.796 nan 8.270 nan 0.000 0.444 341 G N 0.989 109.801 108.800 0.021 0.000 2.482 341 G HA2 0.503 4.389 3.960 -0.123 0.000 0.317 341 G HA3 0.503 4.389 3.960 -0.123 0.000 0.317 341 G C -2.075 172.811 174.900 -0.022 0.000 1.241 341 G CA -0.309 44.786 45.100 -0.009 0.000 0.967 341 G HN 0.543 nan 8.290 nan 0.000 0.482 342 Y N 0.954 121.160 120.300 -0.155 0.000 2.406 342 Y HA 0.716 5.193 4.550 -0.122 0.000 0.340 342 Y C 0.106 175.897 175.900 -0.182 0.000 0.975 342 Y CA -0.191 57.809 58.100 -0.166 0.000 1.056 342 Y CB 2.085 40.467 38.460 -0.131 0.000 1.210 342 Y HN 0.988 nan 8.280 nan 0.000 0.448 343 G N 4.000 112.228 108.800 -0.953 0.000 2.489 343 G HA2 0.543 4.430 3.960 -0.123 0.000 0.305 343 G HA3 0.543 4.430 3.960 -0.123 0.000 0.305 343 G C -2.650 171.868 174.900 -0.636 0.000 1.311 343 G CA -1.025 43.547 45.100 -0.881 0.000 0.813 343 G HN 0.639 nan 8.290 nan 0.000 0.480 344 L N -0.793 120.198 121.223 -0.386 0.000 2.327 344 L HA 0.571 4.837 4.340 -0.123 0.000 0.258 344 L C 1.739 178.533 176.870 -0.128 0.000 1.024 344 L CA -0.456 54.269 54.840 -0.192 0.000 0.825 344 L CB 1.844 43.828 42.059 -0.126 0.000 1.386 344 L HN 0.638 nan 8.230 nan 0.000 0.417 345 T N -0.760 113.758 114.554 -0.062 0.000 2.665 345 T HA -0.194 4.082 4.350 -0.123 0.000 0.268 345 T C 1.289 175.955 174.700 -0.058 0.000 1.035 345 T CA 2.045 64.106 62.100 -0.064 0.000 1.151 345 T CB -0.076 68.777 68.868 -0.025 0.000 0.862 345 T HN 0.585 nan 8.240 nan 0.000 0.438 346 E N 0.781 120.955 120.200 -0.043 0.000 2.267 346 E HA -0.079 4.197 4.350 -0.123 0.000 0.197 346 E C 2.007 178.552 176.600 -0.091 0.000 0.998 346 E CA 1.330 57.685 56.400 -0.075 0.000 0.830 346 E CB -0.221 29.447 29.700 -0.054 0.000 0.751 346 E HN 0.667 nan 8.360 nan 0.000 0.491 347 T N -3.994 110.493 114.554 -0.112 0.000 3.214 347 T HA 0.265 4.541 4.350 -0.123 0.000 0.264 347 T C 0.793 175.372 174.700 -0.203 0.000 1.012 347 T CA 0.253 62.283 62.100 -0.117 0.000 0.901 347 T CB 0.185 68.959 68.868 -0.158 0.000 1.070 347 T HN 0.007 nan 8.240 nan 0.000 0.561 348 T N 0.257 114.666 114.554 -0.240 0.000 12.940 348 T HA -0.272 4.004 4.350 -0.123 0.000 0.419 348 T C 0.517 174.946 174.700 -0.452 0.000 1.444 348 T CA 1.808 63.635 62.100 -0.454 0.000 2.373 348 T CB -1.739 66.776 68.868 -0.588 0.000 2.821 348 T HN 0.826 nan 8.240 nan 0.000 0.696 349 S N -0.612 114.877 115.700 -0.351 0.000 3.070 349 S HA 0.720 5.116 4.470 -0.123 0.000 0.320 349 S C -1.313 173.143 174.600 -0.240 0.000 1.215 349 S CA 0.163 58.237 58.200 -0.210 0.000 0.956 349 S CB 1.060 64.156 63.200 -0.175 0.000 1.337 349 S HN 1.255 nan 8.310 nan 0.000 0.639 350 A N 1.875 124.586 122.820 -0.181 0.000 2.454 350 A HA 0.440 4.687 4.320 -0.123 0.000 0.260 350 A C 1.138 178.523 177.584 -0.332 0.000 1.106 350 A CA -0.225 51.667 52.037 -0.241 0.000 0.780 350 A CB -0.500 18.418 19.000 -0.136 0.000 1.044 350 A HN 0.889 nan 8.150 nan 0.000 0.498 351 I N 0.306 120.602 120.570 -0.457 0.000 3.968 351 I HA 0.395 4.491 4.170 -0.123 0.000 0.328 351 I C -0.108 175.750 176.117 -0.432 0.000 1.290 351 I CA 0.541 61.450 61.300 -0.652 0.000 1.163 351 I CB -0.454 36.927 38.000 -1.031 0.000 1.024 351 I HN 0.401 nan 8.210 nan 0.000 0.413 352 I N 2.597 123.032 120.570 -0.226 0.000 2.447 352 I HA 0.492 4.588 4.170 -0.123 0.000 0.287 352 I C -0.878 175.216 176.117 -0.039 0.000 1.023 352 I CA -0.433 60.794 61.300 -0.122 0.000 1.083 352 I CB 2.456 40.427 38.000 -0.047 0.000 1.245 352 I HN -0.063 nan 8.210 nan 0.000 0.434 353 I N 4.344 124.921 120.570 0.011 0.000 2.656 353 I HA 0.219 4.316 4.170 -0.123 0.000 0.292 353 I C -0.123 176.063 176.117 0.115 0.000 1.144 353 I CA -0.608 60.738 61.300 0.077 0.000 1.038 353 I CB 2.567 40.635 38.000 0.113 0.000 1.244 353 I HN 0.424 nan 8.210 nan 0.000 0.420 354 T N 6.936 121.530 114.554 0.067 0.000 2.831 354 T HA 0.119 4.395 4.350 -0.123 0.000 0.291 354 T C -2.426 172.269 174.700 -0.008 0.000 0.981 354 T CA -0.481 61.647 62.100 0.046 0.000 1.174 354 T CB -0.125 68.765 68.868 0.036 0.000 0.929 354 T HN 0.231 nan 8.240 nan 0.000 0.532 355 P HA 0.229 nan 4.420 nan 0.000 0.280 355 P C -0.153 177.052 177.300 -0.159 0.000 1.244 355 P CA -0.602 62.325 63.100 -0.287 0.000 0.784 355 P CB 0.464 31.963 31.700 -0.334 0.000 0.913 356 E N 2.977 123.072 120.200 -0.175 0.000 2.652 356 E HA 0.171 4.448 4.350 -0.123 0.000 0.255 356 E C 1.126 177.683 176.600 -0.071 0.000 0.952 356 E CA 1.353 57.697 56.400 -0.092 0.000 0.947 356 E CB -0.930 28.717 29.700 -0.088 0.000 0.912 356 E HN 0.745 nan 8.360 nan 0.000 0.489 357 G N 4.438 113.219 108.800 -0.032 0.000 2.273 357 G HA2 -0.282 3.605 3.960 -0.123 0.000 0.280 357 G HA3 -0.282 3.605 3.960 -0.123 0.000 0.280 357 G C 0.194 175.094 174.900 0.000 0.000 1.047 357 G CA 0.483 45.574 45.100 -0.015 0.000 0.869 357 G HN 0.664 nan 8.290 nan 0.000 0.502 358 D N 0.040 120.449 120.400 0.015 0.000 2.996 358 D HA 0.221 4.788 4.640 -0.123 0.000 0.343 358 D C 0.096 176.460 176.300 0.107 0.000 1.574 358 D CA 0.308 54.351 54.000 0.071 0.000 0.773 358 D CB 0.046 40.886 40.800 0.065 0.000 1.241 358 D HN 0.292 nan 8.370 nan 0.000 0.469 359 D N 0.596 121.018 120.400 0.038 0.000 2.414 359 D HA 0.200 4.767 4.640 -0.123 0.000 0.242 359 D C 0.332 176.595 176.300 -0.063 0.000 1.129 359 D CA -0.010 53.993 54.000 0.004 0.000 0.885 359 D CB 1.953 42.757 40.800 0.007 0.000 1.198 359 D HN 0.176 nan 8.370 nan 0.000 0.437 360 K N 1.211 121.533 120.400 -0.131 0.000 2.553 360 K HA 0.360 4.606 4.320 -0.123 0.000 0.250 360 K C -3.100 173.445 176.600 -0.092 0.000 0.953 360 K CA -2.041 54.135 56.287 -0.185 0.000 0.800 360 K CB 2.181 34.390 32.500 -0.485 0.000 1.243 360 K HN 0.150 nan 8.250 nan 0.000 0.435 361 P HA 0.071 nan 4.420 nan 0.000 0.263 361 P C 0.441 177.794 177.300 0.088 0.000 1.195 361 P CA 0.950 64.065 63.100 0.024 0.000 0.762 361 P CB 0.764 32.486 31.700 0.036 0.000 0.799 362 G N 2.016 110.846 108.800 0.049 0.000 2.205 362 G HA2 -0.199 3.687 3.960 -0.123 0.000 0.261 362 G HA3 -0.199 3.687 3.960 -0.123 0.000 0.261 362 G C 0.438 175.349 174.900 0.019 0.000 0.980 362 G CA 0.021 45.186 45.100 0.109 0.000 0.632 362 G HN 0.872 nan 8.290 nan 0.000 0.533 363 A N 0.120 122.779 122.820 -0.269 0.000 2.354 363 A HA 0.778 5.025 4.320 -0.123 0.000 0.269 363 A C 1.372 178.761 177.584 -0.326 0.000 1.109 363 A CA 1.112 52.715 52.037 -0.724 0.000 0.800 363 A CB 0.945 19.471 19.000 -0.789 0.000 1.045 363 A HN 0.763 nan 8.150 nan 0.000 0.489 364 S N 0.348 115.869 115.700 -0.299 0.000 2.501 364 S HA 0.398 4.795 4.470 -0.123 0.000 0.220 364 S C 1.087 175.656 174.600 -0.052 0.000 0.997 364 S CA 1.113 59.237 58.200 -0.126 0.000 0.919 364 S CB -0.291 62.841 63.200 -0.113 0.000 0.778 364 S HN 1.914 nan 8.310 nan 0.000 0.523 365 G N 0.697 109.470 108.800 -0.046 0.000 2.301 365 G HA2 0.002 3.888 3.960 -0.123 0.000 0.194 365 G HA3 0.002 3.888 3.960 -0.123 0.000 0.194 365 G C -1.512 173.442 174.900 0.090 0.000 1.266 365 G CA -0.875 44.258 45.100 0.056 0.000 1.210 365 G HN 0.255 nan 8.290 nan 0.000 0.524 366 K N -0.781 119.675 120.400 0.094 0.000 2.444 366 K HA 0.651 4.897 4.320 -0.123 0.000 0.252 366 K C -0.294 176.304 176.600 -0.003 0.000 0.993 366 K CA -0.892 55.455 56.287 0.100 0.000 0.847 366 K CB 2.927 35.479 32.500 0.088 0.000 1.340 366 K HN 0.454 nan 8.250 nan 0.000 0.446 367 V N 2.659 122.517 119.914 -0.094 0.000 2.617 367 V HA -0.042 4.004 4.120 -0.123 0.000 0.304 367 V C 0.593 176.465 176.094 -0.370 0.000 1.040 367 V CA -0.262 61.897 62.300 -0.235 0.000 1.149 367 V CB 0.322 32.039 31.823 -0.178 0.000 0.914 367 V HN 0.556 nan 8.190 nan 0.000 0.487 368 V N 4.263 123.878 119.914 -0.498 0.000 3.051 368 V HA 0.358 4.405 4.120 -0.123 0.000 0.306 368 V C -2.208 173.550 176.094 -0.561 0.000 1.083 368 V CA -2.179 59.622 62.300 -0.831 0.000 1.104 368 V CB -0.005 31.253 31.823 -0.941 0.000 1.027 368 V HN 0.720 nan 8.190 nan 0.000 0.483 369 P HA 0.212 nan 4.420 nan 0.000 0.264 369 P C 0.500 177.858 177.300 0.096 0.000 1.183 369 P CA 0.514 63.514 63.100 -0.165 0.000 0.763 369 P CB 0.082 31.759 31.700 -0.038 0.000 0.807 370 L N -1.499 119.759 121.223 0.057 0.000 4.950 370 L HA -0.245 4.021 4.340 -0.123 0.000 0.413 370 L C 0.099 176.941 176.870 -0.047 0.000 1.020 370 L CA 0.438 55.294 54.840 0.027 0.000 1.239 370 L CB -1.875 40.214 42.059 0.050 0.000 2.004 370 L HN 0.330 nan 8.230 nan 0.000 0.658 371 F N 0.316 120.197 119.950 -0.116 0.000 2.523 371 F HA 0.626 5.078 4.527 -0.124 0.000 0.329 371 F C 0.662 176.386 175.800 -0.126 0.000 1.061 371 F CA -0.361 57.556 58.000 -0.138 0.000 0.967 371 F CB 1.572 40.479 39.000 -0.155 0.000 1.218 371 F HN -0.242 nan 8.300 nan 0.000 0.480 372 K N 1.325 121.739 120.400 0.023 0.000 2.318 372 K HA 0.874 5.121 4.320 -0.123 0.000 0.249 372 K C -1.467 175.282 176.600 0.249 0.000 0.942 372 K CA -0.967 55.372 56.287 0.086 0.000 0.808 372 K CB 2.248 34.755 32.500 0.011 0.000 1.189 372 K HN 0.607 nan 8.250 nan 0.000 0.428 373 A N 2.083 125.049 122.820 0.243 0.000 2.475 373 A HA 0.706 4.952 4.320 -0.123 0.000 0.301 373 A C -1.490 176.188 177.584 0.156 0.000 1.059 373 A CA -0.876 51.280 52.037 0.198 0.000 0.710 373 A CB 1.147 20.017 19.000 -0.216 0.000 1.288 373 A HN 0.778 nan 8.150 nan 0.000 0.408 374 K N -0.059 120.368 120.400 0.045 0.000 2.509 374 K HA 0.803 5.050 4.320 -0.123 0.000 0.266 374 K C -1.576 175.050 176.600 0.044 0.000 0.987 374 K CA -0.877 55.378 56.287 -0.054 0.000 0.868 374 K CB 2.154 34.443 32.500 -0.352 0.000 1.421 374 K HN 0.292 nan 8.250 nan 0.000 0.444 375 V N 2.612 122.609 119.914 0.139 0.000 2.384 375 V HA 0.421 4.467 4.120 -0.123 0.000 0.287 375 V C -0.205 175.919 176.094 0.050 0.000 1.020 375 V CA -0.733 61.661 62.300 0.157 0.000 0.850 375 V CB 0.915 32.920 31.823 0.304 0.000 0.987 375 V HN 0.783 nan 8.190 nan 0.000 0.436 376 I N 0.424 120.993 120.570 -0.001 0.000 2.493 376 I HA 0.666 4.762 4.170 -0.123 0.000 0.298 376 I C -0.134 175.989 176.117 0.010 0.000 0.998 376 I CA -0.657 60.629 61.300 -0.024 0.000 1.137 376 I CB 1.611 39.566 38.000 -0.074 0.000 1.310 376 I HN 0.533 nan 8.210 nan 0.000 0.445 377 D N 4.239 124.642 120.400 0.005 0.000 2.455 377 D HA 0.104 4.670 4.640 -0.123 0.000 0.241 377 D C 0.990 177.302 176.300 0.020 0.000 1.138 377 D CA 0.053 54.059 54.000 0.010 0.000 0.877 377 D CB 1.047 41.847 40.800 -0.000 0.000 1.187 377 D HN 0.631 nan 8.370 nan 0.000 0.451 378 L N 2.734 123.972 121.223 0.025 0.000 2.046 378 L HA -0.137 4.129 4.340 -0.123 0.000 0.208 378 L C 1.544 178.430 176.870 0.026 0.000 1.077 378 L CA 1.026 55.886 54.840 0.033 0.000 0.747 378 L CB -0.320 41.757 42.059 0.031 0.000 0.896 378 L HN 0.570 nan 8.230 nan 0.000 0.432 379 D N -0.763 119.645 120.400 0.014 0.000 2.120 379 D HA -0.108 4.458 4.640 -0.123 0.000 0.202 379 D C 2.109 178.415 176.300 0.009 0.000 0.972 379 D CA 2.064 56.069 54.000 0.008 0.000 0.837 379 D CB -0.059 40.740 40.800 -0.001 0.000 0.989 379 D HN 0.366 nan 8.370 nan 0.000 0.469 380 T N -2.118 112.440 114.554 0.007 0.000 3.040 380 T HA 0.088 4.364 4.350 -0.123 0.000 0.250 380 T C 0.842 175.547 174.700 0.008 0.000 1.058 380 T CA -0.179 61.924 62.100 0.005 0.000 0.988 380 T CB 0.441 69.308 68.868 -0.002 0.000 0.993 380 T HN -0.180 nan 8.240 nan 0.000 0.519 381 K N -0.368 120.040 120.400 0.014 0.000 3.274 381 K HA -0.139 4.107 4.320 -0.123 0.000 0.305 381 K C 0.339 176.933 176.600 -0.011 0.000 1.225 381 K CA 1.628 57.926 56.287 0.017 0.000 0.904 381 K CB -2.796 29.727 32.500 0.037 0.000 1.227 381 K HN 0.846 nan 8.250 nan 0.000 0.453 382 K N 1.124 121.516 120.400 -0.014 0.000 2.144 382 K HA 0.464 4.711 4.320 -0.123 0.000 0.270 382 K C 0.455 177.035 176.600 -0.033 0.000 1.005 382 K CA -0.050 56.222 56.287 -0.025 0.000 0.932 382 K CB 0.775 33.266 32.500 -0.015 0.000 1.021 382 K HN 0.156 nan 8.250 nan 0.000 0.462 383 S N 0.432 116.103 115.700 -0.048 0.000 2.558 383 S HA 0.309 4.705 4.470 -0.123 0.000 0.287 383 S C 0.165 174.769 174.600 0.007 0.000 1.321 383 S CA -0.156 58.023 58.200 -0.036 0.000 1.048 383 S CB -0.155 63.019 63.200 -0.042 0.000 0.844 383 S HN 0.467 nan 8.310 nan 0.000 0.512 384 L N 1.346 122.597 121.223 0.048 0.000 2.341 384 L HA 0.637 4.904 4.340 -0.123 0.000 0.267 384 L C 0.960 177.877 176.870 0.078 0.000 1.009 384 L CA -0.882 53.982 54.840 0.040 0.000 0.819 384 L CB 1.597 43.666 42.059 0.017 0.000 1.323 384 L HN 0.747 nan 8.230 nan 0.000 0.425 385 G N 0.721 109.517 108.800 -0.007 0.000 2.563 385 G HA2 0.450 4.336 3.960 -0.123 0.000 0.283 385 G HA3 0.450 4.336 3.960 -0.123 0.000 0.283 385 G C -2.545 172.135 174.900 -0.367 0.000 1.309 385 G CA -1.034 44.035 45.100 -0.052 0.000 1.022 385 G HN 0.349 nan 8.290 nan 0.000 0.501 386 P HA -0.010 nan 4.420 nan 0.000 0.267 386 P C -0.204 176.857 177.300 -0.399 0.000 1.201 386 P CA 0.095 62.755 63.100 -0.733 0.000 0.775 386 P CB 0.391 31.883 31.700 -0.347 0.000 0.854 387 N N -2.092 116.416 118.700 -0.319 0.000 2.753 387 N HA -0.151 4.516 4.740 -0.123 0.000 0.251 387 N C -0.597 174.719 175.510 -0.325 0.000 1.097 387 N CA 0.884 53.760 53.050 -0.289 0.000 0.786 387 N CB -1.389 36.952 38.487 -0.245 0.000 1.137 387 N HN 0.338 nan 8.380 nan 0.000 0.566 388 R N 0.385 120.738 120.500 -0.244 0.000 2.393 388 R HA 0.435 4.701 4.340 -0.123 0.000 0.315 388 R C 0.441 176.692 176.300 -0.082 0.000 0.952 388 R CA -0.682 55.315 56.100 -0.172 0.000 0.842 388 R CB 1.444 31.670 30.300 -0.123 0.000 1.163 388 R HN 0.186 nan 8.270 nan 0.000 0.450 389 R N 0.738 121.188 120.500 -0.082 0.000 2.490 389 R HA 0.652 4.919 4.340 -0.123 0.000 0.280 389 R C 0.736 177.063 176.300 0.044 0.000 1.077 389 R CA 0.376 56.492 56.100 0.027 0.000 1.065 389 R CB 1.236 31.538 30.300 0.003 0.000 1.003 389 R HN 0.872 nan 8.270 nan 0.000 0.470 390 G N 0.678 109.532 108.800 0.089 0.000 2.489 390 G HA2 0.066 3.953 3.960 -0.123 0.000 0.305 390 G HA3 0.066 3.953 3.960 -0.123 0.000 0.305 390 G C -1.658 173.297 174.900 0.091 0.000 1.311 390 G CA -0.753 44.391 45.100 0.073 0.000 0.813 390 G HN 0.518 nan 8.290 nan 0.000 0.480 391 E N -0.056 120.188 120.200 0.074 0.000 2.259 391 E HA 0.446 4.723 4.350 -0.123 0.000 0.281 391 E C -0.160 176.479 176.600 0.064 0.000 1.037 391 E CA -0.456 55.990 56.400 0.077 0.000 0.854 391 E CB 1.228 30.977 29.700 0.082 0.000 1.051 391 E HN 0.232 nan 8.360 nan 0.000 0.409 392 V N 4.972 124.942 119.914 0.093 0.000 2.508 392 V HA 0.066 4.112 4.120 -0.123 0.000 0.281 392 V C 0.015 176.145 176.094 0.060 0.000 1.041 392 V CA -0.404 61.959 62.300 0.104 0.000 1.016 392 V CB 0.487 32.382 31.823 0.120 0.000 0.984 392 V HN 0.777 nan 8.190 nan 0.000 0.478 393 C N 4.922 124.238 119.300 0.026 0.000 2.634 393 C HA 0.883 5.269 4.460 -0.123 0.000 0.313 393 C C 0.009 175.183 174.990 0.307 0.000 1.198 393 C CA -0.743 58.309 59.018 0.057 0.000 1.605 393 C CB 1.268 28.890 27.740 -0.196 0.000 2.196 393 C HN 0.865 nan 8.230 nan 0.000 0.486 394 V N 0.215 120.378 119.914 0.415 0.000 3.078 394 V HA 0.879 4.925 4.120 -0.123 0.000 0.311 394 V C -1.104 175.110 176.094 0.200 0.000 1.138 394 V CA -0.670 61.865 62.300 0.393 0.000 1.007 394 V CB 1.983 33.966 31.823 0.268 0.000 1.045 394 V HN 1.013 nan 8.190 nan 0.000 0.432 395 K N 0.950 121.284 120.400 -0.110 0.000 2.543 395 K HA 0.814 5.060 4.320 -0.123 0.000 0.255 395 K C -0.558 175.512 176.600 -0.882 0.000 0.934 395 K CA 0.328 56.272 56.287 -0.572 0.000 0.810 395 K CB 2.040 33.809 32.500 -1.218 0.000 1.315 395 K HN 1.984 nan 8.250 nan 0.000 0.433 396 G N 2.382 110.554 108.800 -1.047 0.000 2.321 396 G HA2 0.160 4.047 3.960 -0.123 0.000 0.298 396 G HA3 0.160 4.047 3.960 -0.123 0.000 0.298 396 G C -2.784 171.586 174.900 -0.884 0.000 1.385 396 G CA -0.880 43.321 45.100 -1.499 0.000 0.856 396 G HN 0.344 nan 8.290 nan 0.000 0.584 397 P HA 0.088 nan 4.420 nan 0.000 0.242 397 P C 1.197 178.419 177.300 -0.130 0.000 1.197 397 P CA 0.567 63.506 63.100 -0.269 0.000 0.765 397 P CB 0.120 31.701 31.700 -0.198 0.000 0.936 398 M N -1.361 118.260 119.600 0.035 0.000 2.428 398 M HA 0.099 4.506 4.480 -0.123 0.000 0.239 398 M C 0.070 176.389 176.300 0.032 0.000 1.121 398 M CA -0.417 54.929 55.300 0.077 0.000 1.019 398 M CB -0.034 32.645 32.600 0.132 0.000 1.485 398 M HN -0.117 nan 8.290 nan 0.000 0.484 399 L N 2.139 123.371 121.223 0.014 0.000 2.540 399 L HA 0.048 4.315 4.340 -0.123 0.000 0.276 399 L C 0.587 177.404 176.870 -0.088 0.000 1.212 399 L CA 0.646 55.461 54.840 -0.041 0.000 0.893 399 L CB 0.148 42.157 42.059 -0.083 0.000 1.138 399 L HN 0.316 nan 8.230 nan 0.000 0.491 400 M N 1.905 121.442 119.600 -0.105 0.000 2.245 400 M HA 0.071 4.478 4.480 -0.123 0.000 0.312 400 M C 1.146 177.377 176.300 -0.114 0.000 1.070 400 M CA 0.355 55.583 55.300 -0.121 0.000 1.162 400 M CB 0.182 32.684 32.600 -0.163 0.000 1.448 400 M HN 0.499 nan 8.290 nan 0.000 0.446 401 K N 0.941 121.287 120.400 -0.090 0.000 2.097 401 K HA 0.111 4.358 4.320 -0.123 0.000 0.206 401 K C 0.553 177.102 176.600 -0.084 0.000 1.049 401 K CA 1.387 57.632 56.287 -0.070 0.000 0.933 401 K CB -0.021 32.457 32.500 -0.037 0.000 0.717 401 K HN 1.011 nan 8.250 nan 0.000 0.442 402 G N -1.485 107.241 108.800 -0.124 0.000 2.352 402 G HA2 0.079 3.966 3.960 -0.123 0.000 0.302 402 G HA3 0.079 3.966 3.960 -0.123 0.000 0.302 402 G C -1.889 172.922 174.900 -0.149 0.000 1.370 402 G CA -0.976 44.026 45.100 -0.164 0.000 0.918 402 G HN 0.033 nan 8.290 nan 0.000 0.610 403 Y N -0.064 120.252 120.300 0.028 0.000 2.319 403 Y HA 0.422 4.899 4.550 -0.122 0.000 0.328 403 Y C 1.356 177.274 175.900 0.031 0.000 1.133 403 Y CA -0.459 57.661 58.100 0.034 0.000 1.265 403 Y CB 1.258 39.742 38.460 0.040 0.000 1.218 403 Y HN 0.334 nan 8.280 nan 0.000 0.508 404 V N 2.592 122.627 119.914 0.202 0.000 2.557 404 V HA 0.049 4.095 4.120 -0.123 0.000 0.301 404 V C 0.983 177.138 176.094 0.101 0.000 1.026 404 V CA 0.752 63.121 62.300 0.116 0.000 1.137 404 V CB -0.770 31.105 31.823 0.087 0.000 0.917 404 V HN 1.077 nan 8.190 nan 0.000 0.484 405 N N 2.979 121.723 118.700 0.074 0.000 2.701 405 N HA -0.242 4.425 4.740 -0.123 0.000 0.250 405 N C 0.357 175.908 175.510 0.067 0.000 1.046 405 N CA 1.134 54.219 53.050 0.058 0.000 0.733 405 N CB -1.437 37.072 38.487 0.035 0.000 0.973 405 N HN 0.764 nan 8.380 nan 0.000 0.541 406 N N -1.176 117.587 118.700 0.104 0.000 2.711 406 N HA 0.299 4.966 4.740 -0.123 0.000 0.263 406 N C -2.403 173.191 175.510 0.139 0.000 1.667 406 N CA -1.279 51.834 53.050 0.105 0.000 0.785 406 N CB 1.402 39.937 38.487 0.079 0.000 1.231 406 N HN 0.229 nan 8.380 nan 0.000 0.503 407 P HA -0.039 nan 4.420 nan 0.000 0.220 407 P C 1.267 178.618 177.300 0.086 0.000 1.148 407 P CA 1.373 64.523 63.100 0.083 0.000 0.803 407 P CB 0.492 32.223 31.700 0.053 0.000 0.782 408 E N 0.337 120.581 120.200 0.073 0.000 2.031 408 E HA -0.151 4.126 4.350 -0.123 0.000 0.193 408 E C 2.182 178.832 176.600 0.082 0.000 0.994 408 E CA 1.633 58.069 56.400 0.060 0.000 0.800 408 E CB -1.711 28.012 29.700 0.038 0.000 0.752 408 E HN 0.249 nan 8.360 nan 0.000 0.447 409 A N 0.497 123.376 122.820 0.099 0.000 1.972 409 A HA -0.080 4.167 4.320 -0.123 0.000 0.219 409 A C 2.637 180.411 177.584 0.317 0.000 1.169 409 A CA 2.335 54.452 52.037 0.133 0.000 0.635 409 A CB -0.869 18.102 19.000 -0.048 0.000 0.810 409 A HN 0.455 nan 8.150 nan 0.000 0.446 410 T N 0.075 114.834 114.554 0.342 0.000 2.708 410 T HA -0.137 4.139 4.350 -0.123 0.000 0.266 410 T C 1.907 176.672 174.700 0.108 0.000 1.037 410 T CA 1.759 63.982 62.100 0.205 0.000 1.146 410 T CB -0.186 68.746 68.868 0.105 0.000 0.865 410 T HN 0.554 nan 8.240 nan 0.000 0.435 411 K N 0.890 121.343 120.400 0.089 0.000 2.148 411 K HA -0.087 4.160 4.320 -0.123 0.000 0.204 411 K C 2.688 179.312 176.600 0.039 0.000 1.050 411 K CA 1.217 57.535 56.287 0.051 0.000 0.942 411 K CB -0.051 32.473 32.500 0.040 0.000 0.724 411 K HN 0.386 nan 8.250 nan 0.000 0.446 412 E N 1.008 121.241 120.200 0.055 0.000 2.208 412 E HA -0.123 4.153 4.350 -0.123 0.000 0.193 412 E C 1.760 178.369 176.600 0.016 0.000 0.988 412 E CA 0.682 57.097 56.400 0.025 0.000 0.828 412 E CB -0.302 29.420 29.700 0.038 0.000 0.763 412 E HN 0.366 nan 8.360 nan 0.000 0.478 413 L N -0.482 120.789 121.223 0.080 0.000 2.221 413 L HA 0.444 4.710 4.340 -0.123 0.000 0.202 413 L C 0.980 177.924 176.870 0.124 0.000 1.074 413 L CA 0.905 55.811 54.840 0.111 0.000 0.795 413 L CB 0.304 42.461 42.059 0.163 0.000 0.960 413 L HN 0.256 nan 8.230 nan 0.000 0.458 414 I N 0.822 121.447 120.570 0.091 0.000 2.330 414 I HA 0.189 4.286 4.170 -0.123 0.000 0.289 414 I C -0.571 175.606 176.117 0.101 0.000 1.001 414 I CA -1.008 60.362 61.300 0.117 0.000 1.193 414 I CB 1.025 39.052 38.000 0.046 0.000 1.345 414 I HN 0.168 nan 8.210 nan 0.000 0.461 415 D N 4.175 124.680 120.400 0.176 0.000 2.414 415 D HA 0.044 4.610 4.640 -0.123 0.000 0.251 415 D C 0.708 177.082 176.300 0.123 0.000 1.252 415 D CA -0.351 53.729 54.000 0.133 0.000 0.999 415 D CB 0.680 41.605 40.800 0.209 0.000 1.093 415 D HN 0.388 nan 8.370 nan 0.000 0.515 416 E N -1.005 119.256 120.200 0.102 0.000 2.401 416 E HA -0.120 4.157 4.350 -0.123 0.000 0.199 416 E C 0.748 177.406 176.600 0.096 0.000 1.023 416 E CA 0.999 57.446 56.400 0.079 0.000 0.859 416 E CB -0.097 29.641 29.700 0.064 0.000 0.780 416 E HN 0.534 nan 8.360 nan 0.000 0.523 417 E N -1.135 119.163 120.200 0.164 0.000 2.548 417 E HA 0.183 4.459 4.350 -0.123 0.000 0.206 417 E C 0.657 177.312 176.600 0.092 0.000 1.005 417 E CA 0.238 56.746 56.400 0.180 0.000 0.951 417 E CB 0.837 30.729 29.700 0.319 0.000 1.035 417 E HN 0.286 nan 8.360 nan 0.000 0.470 418 G N 1.322 110.155 108.800 0.056 0.000 2.159 418 G HA2 -0.251 3.636 3.960 -0.123 0.000 0.256 418 G HA3 -0.251 3.636 3.960 -0.123 0.000 0.256 418 G C -0.350 174.463 174.900 -0.146 0.000 0.977 418 G CA -0.130 44.921 45.100 -0.082 0.000 0.652 418 G HN 0.205 nan 8.290 nan 0.000 0.531 419 W N 0.253 121.580 121.300 0.045 0.000 2.311 419 W HA 0.661 5.248 4.660 -0.121 0.000 0.310 419 W C 0.755 177.354 176.519 0.133 0.000 1.274 419 W CA -0.786 56.588 57.345 0.049 0.000 1.215 419 W CB 0.722 30.192 29.460 0.017 0.000 1.227 419 W HN 0.244 nan 8.180 nan 0.000 0.523 420 L N 5.065 126.466 121.223 0.297 0.000 2.305 420 L HA 0.287 4.553 4.340 -0.123 0.000 0.281 420 L C 0.128 177.169 176.870 0.285 0.000 1.085 420 L CA -0.307 54.697 54.840 0.274 0.000 0.813 420 L CB 0.260 42.409 42.059 0.150 0.000 1.157 420 L HN 0.376 nan 8.230 nan 0.000 0.436 421 H N 4.070 123.233 119.070 0.155 0.000 2.705 421 H HA 0.083 4.566 4.556 -0.123 0.000 0.291 421 H C 0.807 176.212 175.328 0.128 0.000 1.085 421 H CA 0.255 56.386 56.048 0.138 0.000 1.357 421 H CB 1.227 31.056 29.762 0.113 0.000 1.419 421 H HN 0.807 nan 8.280 nan 0.000 0.462 422 T N 0.022 114.693 114.554 0.194 0.000 2.915 422 T HA -0.042 4.235 4.350 -0.123 0.000 0.269 422 T C 1.806 176.611 174.700 0.174 0.000 1.071 422 T CA 0.681 62.890 62.100 0.182 0.000 1.132 422 T CB 0.030 69.033 68.868 0.224 0.000 0.878 422 T HN 0.838 nan 8.240 nan 0.000 0.479 423 G N 1.348 110.251 108.800 0.172 0.000 2.148 423 G HA2 -0.191 3.696 3.960 -0.123 0.000 0.254 423 G HA3 -0.191 3.696 3.960 -0.123 0.000 0.254 423 G C -0.427 174.551 174.900 0.131 0.000 0.981 423 G CA 0.203 45.389 45.100 0.143 0.000 0.670 423 G HN 0.626 nan 8.290 nan 0.000 0.528 424 D N -0.144 120.344 120.400 0.146 0.000 2.185 424 D HA 0.565 5.132 4.640 -0.123 0.000 0.247 424 D C 0.482 176.840 176.300 0.096 0.000 1.027 424 D CA -0.384 53.693 54.000 0.128 0.000 0.861 424 D CB 1.551 42.457 40.800 0.176 0.000 1.202 424 D HN 0.168 nan 8.370 nan 0.000 0.453 425 I N 1.387 122.003 120.570 0.078 0.000 2.353 425 I HA 0.521 4.617 4.170 -0.123 0.000 0.293 425 I C 0.852 177.019 176.117 0.083 0.000 0.992 425 I CA -0.056 61.294 61.300 0.084 0.000 1.268 425 I CB 1.518 39.568 38.000 0.082 0.000 1.387 425 I HN 0.384 nan 8.210 nan 0.000 0.478 426 G N 5.422 114.298 108.800 0.127 0.000 2.634 426 G HA2 0.636 4.523 3.960 -0.123 0.000 0.309 426 G HA3 0.636 4.523 3.960 -0.123 0.000 0.309 426 G C -1.954 173.121 174.900 0.292 0.000 1.299 426 G CA -0.392 44.806 45.100 0.163 0.000 0.798 426 G HN 0.553 nan 8.290 nan 0.000 0.490 427 Y N -1.853 118.529 120.300 0.137 0.000 2.689 427 Y HA 0.767 5.244 4.550 -0.122 0.000 0.333 427 Y C -1.398 174.515 175.900 0.022 0.000 1.208 427 Y CA -2.188 55.942 58.100 0.050 0.000 1.055 427 Y CB 0.930 39.347 38.460 -0.072 0.000 1.304 427 Y HN 1.059 nan 8.280 nan 0.000 0.455 428 Y N -0.074 120.110 120.300 -0.193 0.000 2.524 428 Y HA 0.792 5.269 4.550 -0.122 0.000 0.344 428 Y C -0.761 175.133 175.900 -0.010 0.000 1.012 428 Y CA -1.182 56.649 58.100 -0.448 0.000 1.068 428 Y CB 1.499 39.219 38.460 -1.234 0.000 1.249 428 Y HN 0.756 nan 8.280 nan 0.000 0.468 429 D N 0.645 121.137 120.400 0.153 0.000 2.539 429 D HA 0.295 4.862 4.640 -0.123 0.000 0.276 429 D C 1.175 177.541 176.300 0.110 0.000 1.206 429 D CA 0.034 54.110 54.000 0.127 0.000 1.081 429 D CB 0.130 41.077 40.800 0.246 0.000 1.142 429 D HN 0.833 nan 8.370 nan 0.000 0.595 430 E N -0.612 119.638 120.200 0.083 0.000 2.209 430 E HA -0.188 4.089 4.350 -0.123 0.000 0.196 430 E C 1.528 178.207 176.600 0.131 0.000 0.993 430 E CA 1.589 58.040 56.400 0.086 0.000 0.819 430 E CB -0.946 28.787 29.700 0.054 0.000 0.745 430 E HN 0.700 nan 8.360 nan 0.000 0.477 431 E N -1.106 119.196 120.200 0.170 0.000 2.479 431 E HA 0.219 4.496 4.350 -0.123 0.000 0.193 431 E C 0.053 176.721 176.600 0.114 0.000 1.049 431 E CA 0.202 56.703 56.400 0.168 0.000 0.870 431 E CB 0.320 30.174 29.700 0.257 0.000 0.944 431 E HN 0.326 nan 8.360 nan 0.000 0.492 432 K N 0.141 120.632 120.400 0.152 0.000 3.423 432 K HA -0.139 4.107 4.320 -0.123 0.000 0.306 432 K C -0.644 175.967 176.600 0.019 0.000 1.331 432 K CA 0.407 56.748 56.287 0.090 0.000 0.905 432 K CB -1.694 30.843 32.500 0.062 0.000 1.332 432 K HN 0.315 nan 8.250 nan 0.000 0.473 433 H N -0.184 118.924 119.070 0.064 0.000 2.722 433 H HA 0.136 4.618 4.556 -0.122 0.000 0.328 433 H C 0.070 175.290 175.328 -0.181 0.000 1.067 433 H CA 0.345 56.374 56.048 -0.031 0.000 1.447 433 H CB 0.243 29.948 29.762 -0.095 0.000 1.469 433 H HN -0.049 nan 8.280 nan 0.000 0.544 434 F N 3.074 122.935 119.950 -0.149 0.000 2.408 434 F HA 0.216 4.670 4.527 -0.122 0.000 0.344 434 F C -0.151 175.331 175.800 -0.530 0.000 1.112 434 F CA -0.471 57.417 58.000 -0.188 0.000 1.096 434 F CB 0.689 39.610 39.000 -0.132 0.000 1.129 434 F HN 0.339 nan 8.300 nan 0.000 0.486 435 F N 4.602 124.363 119.950 -0.316 0.000 2.449 435 F HA 0.455 4.909 4.527 -0.122 0.000 0.342 435 F C -0.353 175.245 175.800 -0.337 0.000 1.127 435 F CA -0.976 56.762 58.000 -0.436 0.000 0.975 435 F CB 1.010 39.468 39.000 -0.902 0.000 1.146 435 F HN 0.068 nan 8.300 nan 0.000 0.444 436 I N 4.503 125.003 120.570 -0.118 0.000 2.336 436 I HA 0.226 4.323 4.170 -0.123 0.000 0.292 436 I C 0.647 176.743 176.117 -0.035 0.000 0.991 436 I CA -0.290 60.913 61.300 -0.161 0.000 1.227 436 I CB 1.333 39.083 38.000 -0.417 0.000 1.366 436 I HN 0.458 nan 8.210 nan 0.000 0.466 437 V N 4.536 124.462 119.914 0.020 0.000 2.490 437 V HA 0.178 4.224 4.120 -0.123 0.000 0.238 437 V C 0.553 176.670 176.094 0.039 0.000 1.056 437 V CA 1.128 63.467 62.300 0.065 0.000 1.075 437 V CB 0.068 31.961 31.823 0.117 0.000 0.746 437 V HN 0.829 nan 8.190 nan 0.000 0.479 438 D N -2.134 118.290 120.400 0.040 0.000 2.804 438 D HA 0.237 4.804 4.640 -0.123 0.000 0.309 438 D C -1.132 175.202 176.300 0.056 0.000 1.311 438 D CA -0.665 53.361 54.000 0.042 0.000 0.765 438 D CB 1.359 42.182 40.800 0.039 0.000 1.293 438 D HN -0.023 nan 8.370 nan 0.000 0.434 439 R N 1.210 121.745 120.500 0.059 0.000 2.340 439 R HA 0.300 4.566 4.340 -0.123 0.000 0.300 439 R C 1.493 177.831 176.300 0.063 0.000 1.069 439 R CA -0.318 55.824 56.100 0.070 0.000 0.984 439 R CB 1.138 31.478 30.300 0.066 0.000 1.003 439 R HN 0.336 nan 8.270 nan 0.000 0.459 440 L N 4.046 125.312 121.223 0.072 0.000 1.997 440 L HA -0.328 3.938 4.340 -0.123 0.000 0.216 440 L C 2.626 179.529 176.870 0.056 0.000 1.074 440 L CA 2.539 57.418 54.840 0.066 0.000 0.763 440 L CB -0.348 41.756 42.059 0.075 0.000 0.890 440 L HN 0.809 nan 8.230 nan 0.000 0.434 441 K N -1.414 119.018 120.400 0.055 0.000 2.442 441 K HA -0.104 4.143 4.320 -0.123 0.000 0.199 441 K C 1.791 178.414 176.600 0.038 0.000 1.044 441 K CA 1.798 58.111 56.287 0.044 0.000 0.941 441 K CB -0.847 31.678 32.500 0.042 0.000 0.759 441 K HN 0.542 nan 8.250 nan 0.000 0.472 442 S N -0.187 115.537 115.700 0.040 0.000 2.517 442 S HA 0.270 4.666 4.470 -0.123 0.000 0.214 442 S C 0.531 175.152 174.600 0.034 0.000 0.991 442 S CA -0.505 57.715 58.200 0.033 0.000 0.906 442 S CB -0.193 63.025 63.200 0.030 0.000 0.789 442 S HN 0.500 nan 8.310 nan 0.000 0.513 443 L N 2.311 123.559 121.223 0.041 0.000 2.525 443 L HA 0.130 4.396 4.340 -0.123 0.000 0.278 443 L C -0.185 176.714 176.870 0.049 0.000 1.218 443 L CA 0.327 55.194 54.840 0.045 0.000 0.878 443 L CB 0.005 42.096 42.059 0.052 0.000 1.127 443 L HN 0.174 nan 8.230 nan 0.000 0.492 444 I N 3.583 124.185 120.570 0.053 0.000 2.325 444 I HA 0.109 4.206 4.170 -0.123 0.000 0.291 444 I C 0.170 176.351 176.117 0.107 0.000 1.019 444 I CA -0.300 61.039 61.300 0.065 0.000 1.302 444 I CB 0.851 38.878 38.000 0.045 0.000 1.401 444 I HN 0.454 nan 8.210 nan 0.000 0.485 445 K N 6.413 126.875 120.400 0.103 0.000 2.180 445 K HA 0.146 4.392 4.320 -0.123 0.000 0.250 445 K C -0.899 175.794 176.600 0.154 0.000 1.135 445 K CA -0.279 56.074 56.287 0.111 0.000 1.037 445 K CB -0.131 32.407 32.500 0.062 0.000 1.624 445 K HN 0.329 nan 8.250 nan 0.000 0.382 446 Y N 3.406 123.757 120.300 0.085 0.000 2.477 446 Y HA 0.091 4.567 4.550 -0.123 0.000 0.349 446 Y C 0.375 176.380 175.900 0.177 0.000 0.977 446 Y CA -0.225 57.937 58.100 0.103 0.000 1.214 446 Y CB -0.083 38.421 38.460 0.073 0.000 1.124 446 Y HN 0.538 nan 8.280 nan 0.000 0.521 447 K N 2.535 122.733 120.400 -0.336 0.000 1.721 447 K HA -0.301 3.945 4.320 -0.123 0.000 0.121 447 K C 1.122 177.647 176.600 -0.126 0.000 1.152 447 K CA 1.645 57.770 56.287 -0.270 0.000 0.360 447 K CB -1.519 30.754 32.500 -0.377 0.000 0.626 447 K HN 0.802 nan 8.250 nan 0.000 0.878 448 G N -0.118 108.569 108.800 -0.188 0.000 3.042 448 G HA2 0.176 4.062 3.960 -0.123 0.000 0.212 448 G HA3 0.176 4.062 3.960 -0.123 0.000 0.212 448 G C -0.308 174.478 174.900 -0.191 0.000 1.166 448 G CA 0.002 44.982 45.100 -0.200 0.000 0.767 448 G HN 0.263 nan 8.290 nan 0.000 0.546 449 Y N 0.829 121.136 120.300 0.012 0.000 2.304 449 Y HA 0.362 4.838 4.550 -0.123 0.000 0.327 449 Y C 0.745 176.679 175.900 0.056 0.000 1.209 449 Y CA -0.411 57.723 58.100 0.056 0.000 1.299 449 Y CB 0.984 39.525 38.460 0.136 0.000 1.249 449 Y HN 0.029 nan 8.280 nan 0.000 0.519 450 Q N 2.604 122.530 119.800 0.210 0.000 2.425 450 Q HA 0.387 4.653 4.340 -0.123 0.000 0.254 450 Q C -1.304 174.765 176.000 0.114 0.000 1.032 450 Q CA -0.613 55.269 55.803 0.132 0.000 0.798 450 Q CB 1.789 30.575 28.738 0.081 0.000 1.210 450 Q HN 0.399 nan 8.270 nan 0.000 0.491 451 V N 4.535 124.507 119.914 0.097 0.000 2.364 451 V HA 0.264 4.311 4.120 -0.123 0.000 0.272 451 V C -2.184 173.925 176.094 0.025 0.000 1.036 451 V CA -2.005 60.320 62.300 0.041 0.000 0.880 451 V CB 1.116 32.939 31.823 -0.001 0.000 0.991 451 V HN 0.541 nan 8.190 nan 0.000 0.460 452 P HA 0.252 nan 4.420 nan 0.000 0.276 452 P C -2.226 175.075 177.300 0.001 0.000 1.253 452 P CA -1.698 61.413 63.100 0.018 0.000 0.766 452 P CB 0.611 32.325 31.700 0.024 0.000 0.845 453 P HA -0.203 nan 4.420 nan 0.000 0.218 453 P C 1.281 178.575 177.300 -0.010 0.000 1.148 453 P CA 1.554 64.649 63.100 -0.010 0.000 0.822 453 P CB -0.208 31.490 31.700 -0.004 0.000 0.784 454 A N -0.093 122.726 122.820 -0.001 0.000 1.933 454 A HA -0.230 4.016 4.320 -0.123 0.000 0.218 454 A C 2.198 179.779 177.584 -0.005 0.000 1.175 454 A CA 1.564 53.599 52.037 -0.002 0.000 0.628 454 A CB -1.159 17.844 19.000 0.006 0.000 0.814 454 A HN 0.160 nan 8.150 nan 0.000 0.444 455 E N -0.407 119.791 120.200 -0.005 0.000 2.085 455 E HA -0.162 4.114 4.350 -0.123 0.000 0.194 455 E C 1.904 178.490 176.600 -0.024 0.000 0.994 455 E CA 1.226 57.619 56.400 -0.012 0.000 0.801 455 E CB -0.215 29.475 29.700 -0.017 0.000 0.743 455 E HN 0.638 nan 8.360 nan 0.000 0.453 456 L N 0.452 121.656 121.223 -0.032 0.000 2.131 456 L HA -0.130 4.136 4.340 -0.123 0.000 0.206 456 L C 2.203 179.063 176.870 -0.016 0.000 1.087 456 L CA 0.829 55.646 54.840 -0.039 0.000 0.767 456 L CB -0.173 41.853 42.059 -0.056 0.000 0.917 456 L HN 0.093 nan 8.230 nan 0.000 0.441 457 E N -0.545 119.647 120.200 -0.013 0.000 2.130 457 E HA -0.259 4.018 4.350 -0.123 0.000 0.196 457 E C 2.316 178.922 176.600 0.009 0.000 0.998 457 E CA 1.594 57.990 56.400 -0.006 0.000 0.806 457 E CB -0.075 29.616 29.700 -0.016 0.000 0.738 457 E HN 0.294 nan 8.360 nan 0.000 0.459 458 S N -0.061 115.642 115.700 0.006 0.000 2.348 458 S HA -0.148 4.249 4.470 -0.123 0.000 0.221 458 S C 2.124 176.754 174.600 0.050 0.000 1.033 458 S CA 1.261 59.470 58.200 0.016 0.000 1.010 458 S CB -0.232 62.972 63.200 0.006 0.000 0.891 458 S HN 0.116 nan 8.310 nan 0.000 0.442 459 V N 2.450 122.391 119.914 0.045 0.000 2.282 459 V HA -0.215 3.831 4.120 -0.123 0.000 0.249 459 V C 2.478 178.708 176.094 0.226 0.000 1.057 459 V CA 2.165 64.514 62.300 0.082 0.000 1.032 459 V CB -0.912 30.893 31.823 -0.031 0.000 0.645 459 V HN 0.484 nan 8.190 nan 0.000 0.447 460 L N -0.909 120.418 121.223 0.173 0.000 2.131 460 L HA -0.159 4.108 4.340 -0.123 0.000 0.210 460 L C 2.356 179.329 176.870 0.172 0.000 1.092 460 L CA 1.313 56.283 54.840 0.216 0.000 0.759 460 L CB -0.433 41.688 42.059 0.103 0.000 0.903 460 L HN 0.314 nan 8.230 nan 0.000 0.435 461 L N -0.958 120.331 121.223 0.110 0.000 2.217 461 L HA -0.161 4.106 4.340 -0.123 0.000 0.211 461 L C 2.354 179.281 176.870 0.095 0.000 1.107 461 L CA 0.798 55.681 54.840 0.072 0.000 0.783 461 L CB -0.299 41.774 42.059 0.023 0.000 0.919 461 L HN 0.330 nan 8.230 nan 0.000 0.442 462 Q N -1.290 118.590 119.800 0.133 0.000 2.436 462 Q HA -0.114 4.153 4.340 -0.123 0.000 0.209 462 Q C 0.305 176.349 176.000 0.074 0.000 0.965 462 Q CA 0.256 56.129 55.803 0.118 0.000 0.910 462 Q CB -0.104 28.724 28.738 0.149 0.000 0.980 462 Q HN 0.453 nan 8.270 nan 0.000 0.491 463 H N 0.803 119.859 119.070 -0.024 0.000 2.767 463 H HA 0.033 4.515 4.556 -0.123 0.000 0.316 463 H C -1.692 173.580 175.328 -0.094 0.000 1.059 463 H CA -1.700 54.227 56.048 -0.202 0.000 1.461 463 H CB 1.225 30.735 29.762 -0.420 0.000 1.475 463 H HN -0.115 nan 8.280 nan 0.000 0.531 464 P HA -0.119 nan 4.420 nan 0.000 0.219 464 P C 0.710 178.042 177.300 0.052 0.000 1.146 464 P CA 1.195 64.217 63.100 -0.131 0.000 0.808 464 P CB 0.433 31.996 31.700 -0.227 0.000 0.779 465 S N -1.283 114.578 115.700 0.268 0.000 2.548 465 S HA 0.161 4.558 4.470 -0.123 0.000 0.215 465 S C 0.832 175.550 174.600 0.196 0.000 0.976 465 S CA 0.093 58.431 58.200 0.229 0.000 0.908 465 S CB -0.280 63.053 63.200 0.221 0.000 0.781 465 S HN 0.092 nan 8.310 nan 0.000 0.519 466 I N 1.556 122.258 120.570 0.221 0.000 2.339 466 I HA 0.244 4.341 4.170 -0.123 0.000 0.290 466 I C 0.531 176.769 176.117 0.200 0.000 0.994 466 I CA -0.432 60.975 61.300 0.178 0.000 1.191 466 I CB 1.369 39.441 38.000 0.121 0.000 1.343 466 I HN 0.109 nan 8.210 nan 0.000 0.458 467 F N 5.219 125.210 119.950 0.068 0.000 2.220 467 F HA 0.205 4.658 4.527 -0.123 0.000 0.290 467 F C 0.467 176.296 175.800 0.049 0.000 1.080 467 F CA 0.855 58.888 58.000 0.055 0.000 1.318 467 F CB 0.346 39.376 39.000 0.049 0.000 1.063 467 F HN 0.377 nan 8.300 nan 0.000 0.498 468 D N -0.095 120.205 120.400 -0.166 0.000 2.661 468 D HA 0.620 5.186 4.640 -0.123 0.000 0.228 468 D C -1.602 174.665 176.300 -0.054 0.000 1.210 468 D CA -0.175 53.668 54.000 -0.263 0.000 0.826 468 D CB 2.197 42.770 40.800 -0.379 0.000 1.542 468 D HN 0.339 nan 8.370 nan 0.000 0.447 469 A N 0.648 123.431 122.820 -0.061 0.000 2.587 469 A HA 0.882 5.128 4.320 -0.123 0.000 0.293 469 A C -0.679 176.885 177.584 -0.033 0.000 1.087 469 A CA -0.216 51.806 52.037 -0.025 0.000 0.692 469 A CB 1.934 20.930 19.000 -0.007 0.000 1.291 469 A HN 0.592 nan 8.150 nan 0.000 0.407 470 G N -0.551 108.231 108.800 -0.029 0.000 2.682 470 G HA2 0.628 4.514 3.960 -0.123 0.000 0.300 470 G HA3 0.628 4.514 3.960 -0.123 0.000 0.300 470 G C -1.729 173.152 174.900 -0.031 0.000 1.391 470 G CA -0.465 44.619 45.100 -0.027 0.000 0.990 470 G HN 1.157 nan 8.290 nan 0.000 0.501 471 V N 0.370 120.268 119.914 -0.027 0.000 2.656 471 V HA 0.913 4.959 4.120 -0.123 0.000 0.307 471 V C 0.191 176.272 176.094 -0.022 0.000 1.051 471 V CA -0.253 62.028 62.300 -0.032 0.000 0.893 471 V CB 1.303 33.105 31.823 -0.035 0.000 0.999 471 V HN 1.413 nan 8.190 nan 0.000 0.426 472 A N 2.731 125.536 122.820 -0.024 0.000 2.593 472 A HA 0.926 5.173 4.320 -0.123 0.000 0.290 472 A C -0.099 177.477 177.584 -0.012 0.000 1.126 472 A CA -0.194 51.836 52.037 -0.013 0.000 0.695 472 A CB 1.622 20.616 19.000 -0.009 0.000 1.290 472 A HN 1.196 nan 8.150 nan 0.000 0.414 473 G N -0.514 108.287 108.800 0.002 0.000 2.415 473 G HA2 0.527 4.413 3.960 -0.123 0.000 0.269 473 G HA3 0.527 4.413 3.960 -0.123 0.000 0.269 473 G C -0.779 174.127 174.900 0.010 0.000 1.209 473 G CA -0.159 44.948 45.100 0.012 0.000 0.835 473 G HN 0.918 nan 8.290 nan 0.000 0.534 474 V N 4.645 124.566 119.914 0.012 0.000 2.417 474 V HA 0.299 4.346 4.120 -0.123 0.000 0.291 474 V C -1.974 174.135 176.094 0.024 0.000 1.024 474 V CA -1.514 60.792 62.300 0.011 0.000 0.861 474 V CB 2.196 34.019 31.823 -0.000 0.000 0.985 474 V HN 0.595 nan 8.190 nan 0.000 0.436 475 P HA 0.220 nan 4.420 nan 0.000 0.266 475 P C -1.092 176.225 177.300 0.028 0.000 1.195 475 P CA 0.134 63.249 63.100 0.024 0.000 0.768 475 P CB 0.462 32.172 31.700 0.016 0.000 0.838 476 D N 2.072 122.492 120.400 0.033 0.000 2.970 476 D HA 0.231 4.797 4.640 -0.123 0.000 0.230 476 D C -1.820 174.494 176.300 0.023 0.000 1.276 476 D CA -1.757 52.264 54.000 0.034 0.000 0.910 476 D CB 1.266 42.102 40.800 0.059 0.000 1.590 476 D HN 0.075 nan 8.370 nan 0.000 0.551 477 P HA -0.098 nan 4.420 nan 0.000 0.220 477 P C 1.105 178.406 177.300 0.001 0.000 1.148 477 P CA 0.590 63.694 63.100 0.007 0.000 0.803 477 P CB 0.358 32.062 31.700 0.007 0.000 0.782 478 V N 0.447 120.364 119.914 0.005 0.000 2.341 478 V HA 0.050 4.097 4.120 -0.123 0.000 0.240 478 V C 2.580 178.655 176.094 -0.032 0.000 1.035 478 V CA 1.976 64.271 62.300 -0.008 0.000 1.033 478 V CB -1.684 30.142 31.823 0.004 0.000 0.678 478 V HN 0.061 nan 8.190 nan 0.000 0.464 479 A N -1.203 121.605 122.820 -0.021 0.000 2.220 479 A HA 0.498 4.745 4.320 -0.123 0.000 0.211 479 A C 1.948 179.502 177.584 -0.050 0.000 1.176 479 A CA 1.386 53.369 52.037 -0.090 0.000 0.834 479 A CB -0.013 18.947 19.000 -0.066 0.000 0.868 479 A HN 1.038 nan 8.150 nan 0.000 0.488 480 G N -0.824 107.977 108.800 0.001 0.000 3.757 480 G HA2 -0.230 3.657 3.960 -0.123 0.000 0.215 480 G HA3 -0.230 3.657 3.960 -0.123 0.000 0.215 480 G C 0.082 175.011 174.900 0.049 0.000 1.411 480 G CA 0.300 45.410 45.100 0.015 0.000 0.896 480 G HN 0.592 nan 8.290 nan 0.000 0.581 481 E N -0.171 120.086 120.200 0.095 0.000 2.331 481 E HA 0.661 4.937 4.350 -0.123 0.000 0.275 481 E C -0.934 175.784 176.600 0.196 0.000 0.895 481 E CA -0.647 55.822 56.400 0.115 0.000 0.753 481 E CB 2.173 31.928 29.700 0.091 0.000 1.216 481 E HN 0.381 nan 8.360 nan 0.000 0.434 482 L N 3.238 124.531 121.223 0.116 0.000 2.346 482 L HA 0.536 4.803 4.340 -0.123 0.000 0.276 482 L C -2.449 174.411 176.870 -0.018 0.000 1.006 482 L CA -2.392 52.483 54.840 0.060 0.000 0.817 482 L CB 1.636 43.719 42.059 0.040 0.000 1.272 482 L HN 0.269 nan 8.230 nan 0.000 0.421 483 P HA 0.217 nan 4.420 nan 0.000 0.276 483 P C -0.325 176.925 177.300 -0.084 0.000 1.253 483 P CA -0.064 62.983 63.100 -0.088 0.000 0.766 483 P CB 1.151 32.767 31.700 -0.140 0.000 0.845 484 G N 1.821 110.583 108.800 -0.064 0.000 2.630 484 G HA2 0.762 4.649 3.960 -0.123 0.000 0.296 484 G HA3 0.762 4.649 3.960 -0.123 0.000 0.296 484 G C -1.676 173.180 174.900 -0.073 0.000 1.285 484 G CA -0.877 44.181 45.100 -0.071 0.000 0.958 484 G HN 0.557 nan 8.290 nan 0.000 0.479 485 A N -0.766 121.998 122.820 -0.092 0.000 2.498 485 A HA 0.789 5.035 4.320 -0.123 0.000 0.298 485 A C -0.552 176.959 177.584 -0.122 0.000 1.075 485 A CA -0.457 51.524 52.037 -0.094 0.000 0.714 485 A CB 1.778 20.724 19.000 -0.090 0.000 1.299 485 A HN 2.008 nan 8.150 nan 0.000 0.407 486 V N -0.302 119.556 119.914 -0.092 0.000 2.435 486 V HA 0.857 4.904 4.120 -0.123 0.000 0.290 486 V C -0.584 175.469 176.094 -0.068 0.000 1.030 486 V CA -0.650 61.594 62.300 -0.094 0.000 0.881 486 V CB 0.948 32.743 31.823 -0.046 0.000 0.983 486 V HN 0.709 nan 8.190 nan 0.000 0.445 487 V N 4.836 124.704 119.914 -0.077 0.000 2.588 487 V HA 0.503 4.550 4.120 -0.123 0.000 0.304 487 V C -0.257 175.942 176.094 0.175 0.000 1.042 487 V CA -0.525 61.791 62.300 0.026 0.000 0.877 487 V CB 2.137 33.953 31.823 -0.011 0.000 0.996 487 V HN 0.820 nan 8.190 nan 0.000 0.425 488 V N 6.305 126.333 119.914 0.189 0.000 2.347 488 V HA 0.459 4.505 4.120 -0.123 0.000 0.280 488 V C 0.015 176.276 176.094 0.278 0.000 1.021 488 V CA -0.470 61.983 62.300 0.255 0.000 0.847 488 V CB 1.264 33.287 31.823 0.334 0.000 0.990 488 V HN 0.653 nan 8.190 nan 0.000 0.444 489 L N 2.982 124.336 121.223 0.219 0.000 2.439 489 L HA 0.596 4.863 4.340 -0.123 0.000 0.261 489 L C 0.995 177.939 176.870 0.123 0.000 1.153 489 L CA -0.167 54.764 54.840 0.152 0.000 0.808 489 L CB 0.177 42.264 42.059 0.047 0.000 1.126 489 L HN 0.777 nan 8.230 nan 0.000 0.460 490 E N 0.811 121.075 120.200 0.107 0.000 2.398 490 E HA 0.475 4.751 4.350 -0.123 0.000 0.263 490 E C 0.385 176.971 176.600 -0.024 0.000 1.046 490 E CA 0.033 56.455 56.400 0.037 0.000 0.908 490 E CB 0.053 29.790 29.700 0.062 0.000 0.963 490 E HN 0.856 nan 8.360 nan 0.000 0.431 491 S N -0.079 115.575 115.700 -0.076 0.000 2.552 491 S HA 0.459 4.855 4.470 -0.123 0.000 0.289 491 S C 1.789 176.363 174.600 -0.042 0.000 1.304 491 S CA 0.915 59.074 58.200 -0.067 0.000 1.063 491 S CB -0.183 62.967 63.200 -0.083 0.000 0.848 491 S HN 2.225 nan 8.310 nan 0.000 0.499 492 G N 1.594 110.370 108.800 -0.040 0.000 2.640 492 G HA2 -0.255 3.631 3.960 -0.123 0.000 0.226 492 G HA3 -0.255 3.631 3.960 -0.123 0.000 0.226 492 G C 0.657 175.536 174.900 -0.035 0.000 1.222 492 G CA 0.517 45.596 45.100 -0.034 0.000 0.729 492 G HN 1.149 nan 8.290 nan 0.000 0.516 493 K N 0.780 121.164 120.400 -0.027 0.000 2.397 493 K HA 0.510 4.756 4.320 -0.123 0.000 0.265 493 K C 0.452 177.018 176.600 -0.058 0.000 0.982 493 K CA 0.664 56.937 56.287 -0.024 0.000 0.931 493 K CB 0.459 32.962 32.500 0.006 0.000 0.943 493 K HN 1.772 nan 8.250 nan 0.000 0.501 494 N N 0.472 119.131 118.700 -0.068 0.000 2.287 494 N HA 0.720 5.386 4.740 -0.123 0.000 0.289 494 N C -0.655 174.775 175.510 -0.135 0.000 1.066 494 N CA -0.684 52.289 53.050 -0.128 0.000 0.841 494 N CB 1.626 40.048 38.487 -0.108 0.000 1.599 494 N HN 0.516 nan 8.380 nan 0.000 0.476 495 M N 0.760 120.211 119.600 -0.249 0.000 2.578 495 M HA 0.566 4.973 4.480 -0.123 0.000 0.276 495 M C -0.464 175.693 176.300 -0.239 0.000 1.245 495 M CA -0.633 54.559 55.300 -0.179 0.000 0.871 495 M CB 2.835 35.383 32.600 -0.086 0.000 1.722 495 M HN 0.826 nan 8.290 nan 0.000 0.473 496 T N -2.950 111.607 114.554 0.004 0.000 2.945 496 T HA 0.361 4.638 4.350 -0.123 0.000 0.286 496 T C 0.680 175.583 174.700 0.338 0.000 1.025 496 T CA -0.769 61.408 62.100 0.128 0.000 1.039 496 T CB 1.932 70.840 68.868 0.067 0.000 1.068 496 T HN 0.837 nan 8.240 nan 0.000 0.497 497 E N 0.957 121.377 120.200 0.367 0.000 2.086 497 E HA -0.276 4.000 4.350 -0.123 0.000 0.200 497 E C 2.423 179.077 176.600 0.090 0.000 1.012 497 E CA 2.084 58.587 56.400 0.172 0.000 0.812 497 E CB -0.425 29.324 29.700 0.081 0.000 0.743 497 E HN 0.805 nan 8.360 nan 0.000 0.453 498 K N 0.898 121.347 120.400 0.083 0.000 2.148 498 K HA -0.151 4.095 4.320 -0.123 0.000 0.204 498 K C 1.746 178.381 176.600 0.059 0.000 1.050 498 K CA 1.531 57.849 56.287 0.052 0.000 0.942 498 K CB -0.625 31.900 32.500 0.042 0.000 0.724 498 K HN 0.318 nan 8.250 nan 0.000 0.446 499 E N 0.168 120.414 120.200 0.075 0.000 2.077 499 E HA -0.109 4.167 4.350 -0.123 0.000 0.193 499 E C 2.116 178.763 176.600 0.078 0.000 0.989 499 E CA 1.246 57.688 56.400 0.070 0.000 0.800 499 E CB -0.208 29.522 29.700 0.051 0.000 0.746 499 E HN 0.305 nan 8.360 nan 0.000 0.452 500 V N 1.162 121.122 119.914 0.077 0.000 2.287 500 V HA -0.317 3.729 4.120 -0.123 0.000 0.248 500 V C 2.310 178.455 176.094 0.085 0.000 1.053 500 V CA 1.833 64.175 62.300 0.071 0.000 1.027 500 V CB -0.466 31.382 31.823 0.042 0.000 0.646 500 V HN 0.315 nan 8.190 nan 0.000 0.447 501 M N -0.212 119.410 119.600 0.037 0.000 2.117 501 M HA -0.187 4.219 4.480 -0.123 0.000 0.262 501 M C 2.021 178.324 176.300 0.006 0.000 1.065 501 M CA 1.911 57.212 55.300 0.001 0.000 1.114 501 M CB -0.636 31.955 32.600 -0.014 0.000 1.361 501 M HN 0.325 nan 8.290 nan 0.000 0.408 502 D N -0.468 119.956 120.400 0.039 0.000 2.117 502 D HA -0.181 4.385 4.640 -0.123 0.000 0.197 502 D C 1.722 178.060 176.300 0.064 0.000 0.987 502 D CA 1.285 55.309 54.000 0.042 0.000 0.829 502 D CB -0.503 40.332 40.800 0.059 0.000 0.961 502 D HN 0.443 nan 8.370 nan 0.000 0.460 503 Y N 1.456 121.759 120.300 0.005 0.000 2.224 503 Y HA -0.189 4.288 4.550 -0.123 0.000 0.289 503 Y C 2.033 177.941 175.900 0.014 0.000 1.146 503 Y CA 1.078 59.196 58.100 0.029 0.000 1.182 503 Y CB -0.334 38.164 38.460 0.064 0.000 0.983 503 Y HN -0.200 nan 8.280 nan 0.000 0.524 504 V N 0.882 120.633 119.914 -0.273 0.000 2.358 504 V HA -0.274 3.773 4.120 -0.123 0.000 0.246 504 V C 2.773 178.708 176.094 -0.265 0.000 1.047 504 V CA 1.738 63.824 62.300 -0.358 0.000 1.035 504 V CB -1.568 30.158 31.823 -0.163 0.000 0.658 504 V HN 0.587 nan 8.190 nan 0.000 0.452 505 A N 0.791 123.514 122.820 -0.163 0.000 1.978 505 A HA -0.218 4.029 4.320 -0.123 0.000 0.220 505 A C 2.475 179.987 177.584 -0.120 0.000 1.170 505 A CA 2.243 54.206 52.037 -0.123 0.000 0.636 505 A CB -0.687 18.266 19.000 -0.078 0.000 0.810 505 A HN 0.702 nan 8.150 nan 0.000 0.448 506 S N -1.554 114.069 115.700 -0.127 0.000 2.522 506 S HA -0.041 4.356 4.470 -0.123 0.000 0.227 506 S C 1.578 176.104 174.600 -0.125 0.000 0.986 506 S CA 0.974 59.117 58.200 -0.096 0.000 0.929 506 S CB -0.065 63.106 63.200 -0.048 0.000 0.769 506 S HN 0.621 nan 8.310 nan 0.000 0.529 507 Q N 0.475 120.155 119.800 -0.199 0.000 2.353 507 Q HA 0.309 4.575 4.340 -0.123 0.000 0.240 507 Q C 0.778 176.690 176.000 -0.147 0.000 0.868 507 Q CA 0.482 56.171 55.803 -0.190 0.000 0.944 507 Q CB 1.237 29.789 28.738 -0.309 0.000 1.104 507 Q HN 0.661 nan 8.270 nan 0.000 0.531 508 V N -1.367 118.455 119.914 -0.153 0.000 3.113 508 V HA 0.689 4.735 4.120 -0.123 0.000 0.316 508 V C 0.298 176.320 176.094 -0.120 0.000 1.125 508 V CA -1.007 61.214 62.300 -0.132 0.000 1.026 508 V CB 1.504 33.238 31.823 -0.148 0.000 1.080 508 V HN 0.175 nan 8.190 nan 0.000 0.444 509 S N 0.657 116.286 115.700 -0.118 0.000 2.608 509 S HA 0.142 4.538 4.470 -0.123 0.000 0.261 509 S C 1.051 175.563 174.600 -0.147 0.000 1.314 509 S CA 0.392 58.525 58.200 -0.112 0.000 0.992 509 S CB 0.302 63.443 63.200 -0.099 0.000 0.935 509 S HN 0.989 nan 8.310 nan 0.000 0.564 510 N N 1.069 119.693 118.700 -0.126 0.000 2.061 510 N HA -0.221 4.445 4.740 -0.123 0.000 0.193 510 N C 1.879 177.248 175.510 -0.235 0.000 1.030 510 N CA 1.721 54.691 53.050 -0.133 0.000 0.856 510 N CB -0.718 37.734 38.487 -0.059 0.000 1.023 510 N HN 0.821 nan 8.380 nan 0.000 0.424 511 A N 0.936 123.544 122.820 -0.353 0.000 2.019 511 A HA -0.110 4.136 4.320 -0.123 0.000 0.219 511 A C 1.946 179.200 177.584 -0.549 0.000 1.164 511 A CA 1.235 52.914 52.037 -0.597 0.000 0.644 511 A CB -0.226 17.997 19.000 -1.295 0.000 0.805 511 A HN 0.390 nan 8.150 nan 0.000 0.449 512 K N -0.446 119.732 120.400 -0.371 0.000 2.444 512 K HA 0.092 4.339 4.320 -0.123 0.000 0.193 512 K C 0.395 176.839 176.600 -0.260 0.000 1.024 512 K CA -0.227 55.891 56.287 -0.282 0.000 1.077 512 K CB 0.174 32.556 32.500 -0.196 0.000 0.833 512 K HN 0.343 nan 8.250 nan 0.000 0.517 513 R N 1.215 121.543 120.500 -0.286 0.000 2.623 513 R HA 0.080 4.347 4.340 -0.123 0.000 0.271 513 R C 0.178 176.343 176.300 -0.224 0.000 1.043 513 R CA -0.031 55.934 56.100 -0.225 0.000 1.083 513 R CB 0.388 30.568 30.300 -0.200 0.000 0.974 513 R HN 0.106 nan 8.270 nan 0.000 0.436 514 L N 5.054 126.181 121.223 -0.159 0.000 2.511 514 L HA 0.080 4.346 4.340 -0.123 0.000 0.239 514 L C 1.572 178.371 176.870 -0.119 0.000 1.400 514 L CA 0.234 54.993 54.840 -0.134 0.000 1.226 514 L CB -0.336 41.662 42.059 -0.103 0.000 1.475 514 L HN 0.501 nan 8.230 nan 0.000 0.428 515 R N 0.789 121.201 120.500 -0.147 0.000 2.193 515 R HA -0.103 4.164 4.340 -0.123 0.000 0.229 515 R C 2.026 178.289 176.300 -0.061 0.000 1.110 515 R CA 1.145 57.184 56.100 -0.101 0.000 0.988 515 R CB -0.077 30.153 30.300 -0.117 0.000 0.871 515 R HN 0.636 nan 8.270 nan 0.000 0.458 516 G N -0.176 108.584 108.800 -0.067 0.000 2.985 516 G HA2 0.317 4.204 3.960 -0.123 0.000 0.209 516 G HA3 0.317 4.204 3.960 -0.123 0.000 0.209 516 G C 0.319 175.188 174.900 -0.051 0.000 1.165 516 G CA 0.349 45.423 45.100 -0.043 0.000 0.776 516 G HN 0.534 nan 8.290 nan 0.000 0.541 517 G N -1.725 107.036 108.800 -0.064 0.000 2.663 517 G HA2 0.109 3.995 3.960 -0.123 0.000 0.686 517 G HA3 0.109 3.995 3.960 -0.123 0.000 0.686 517 G C -1.012 173.820 174.900 -0.113 0.000 1.288 517 G CA -0.468 44.587 45.100 -0.074 0.000 0.836 517 G HN 0.808 nan 8.290 nan 0.000 0.584 518 V N 1.677 121.496 119.914 -0.158 0.000 2.656 518 V HA 0.822 4.868 4.120 -0.123 0.000 0.307 518 V C 0.149 176.020 176.094 -0.371 0.000 1.051 518 V CA -0.944 61.187 62.300 -0.281 0.000 0.893 518 V CB 1.918 33.530 31.823 -0.352 0.000 0.999 518 V HN 0.868 nan 8.190 nan 0.000 0.426 519 R N 2.904 123.170 120.500 -0.390 0.000 2.670 519 R HA 0.583 4.849 4.340 -0.123 0.000 0.289 519 R C -1.611 174.432 176.300 -0.427 0.000 0.965 519 R CA -0.534 55.363 56.100 -0.339 0.000 0.899 519 R CB 2.367 32.590 30.300 -0.129 0.000 1.173 519 R HN 0.521 nan 8.270 nan 0.000 0.456 520 F N 1.912 121.866 119.950 0.008 0.000 2.408 520 F HA 0.381 4.834 4.527 -0.123 0.000 0.344 520 F C 0.781 176.593 175.800 0.019 0.000 1.112 520 F CA -0.641 57.367 58.000 0.014 0.000 1.096 520 F CB 1.364 40.370 39.000 0.010 0.000 1.129 520 F HN 0.153 nan 8.300 nan 0.000 0.486 521 V N -0.934 119.090 119.914 0.183 0.000 3.141 521 V HA 0.542 4.589 4.120 -0.123 0.000 0.312 521 V C -0.074 176.093 176.094 0.122 0.000 1.157 521 V CA -0.830 61.541 62.300 0.118 0.000 1.041 521 V CB 1.970 33.836 31.823 0.071 0.000 1.071 521 V HN 0.532 nan 8.190 nan 0.000 0.441 522 D N 0.892 121.347 120.400 0.092 0.000 2.162 522 D HA 0.209 4.776 4.640 -0.123 0.000 0.203 522 D C 0.847 177.213 176.300 0.110 0.000 0.967 522 D CA 2.023 56.075 54.000 0.086 0.000 0.840 522 D CB 0.338 41.173 40.800 0.059 0.000 0.972 522 D HN 1.000 nan 8.370 nan 0.000 0.482 523 E N 0.158 120.416 120.200 0.097 0.000 2.287 523 E HA 0.486 4.762 4.350 -0.123 0.000 0.274 523 E C -0.854 175.788 176.600 0.070 0.000 0.896 523 E CA -0.619 55.841 56.400 0.100 0.000 0.788 523 E CB 1.353 31.102 29.700 0.081 0.000 1.244 523 E HN -0.089 nan 8.360 nan 0.000 0.408 524 V N 3.963 123.914 119.914 0.063 0.000 2.485 524 V HA 0.251 4.298 4.120 -0.123 0.000 0.287 524 V C -2.069 174.036 176.094 0.019 0.000 1.022 524 V CA -1.080 61.236 62.300 0.027 0.000 1.067 524 V CB 0.855 32.678 31.823 0.001 0.000 0.967 524 V HN 0.698 nan 8.190 nan 0.000 0.479 525 P HA 0.299 nan 4.420 nan 0.000 0.271 525 P C -0.599 176.702 177.300 0.002 0.000 1.233 525 P CA 0.079 63.185 63.100 0.009 0.000 0.764 525 P CB 0.331 32.034 31.700 0.005 0.000 0.825 526 K N 1.690 122.092 120.400 0.003 0.000 2.512 526 K HA 0.643 4.889 4.320 -0.123 0.000 0.263 526 K C 0.311 176.911 176.600 0.001 0.000 0.966 526 K CA -0.987 55.299 56.287 -0.001 0.000 0.851 526 K CB 2.318 34.814 32.500 -0.007 0.000 1.395 526 K HN 0.390 nan 8.250 nan 0.000 0.440 527 G N 0.518 109.318 108.800 -0.001 0.000 2.621 527 G HA2 0.133 4.019 3.960 -0.123 0.000 0.271 527 G HA3 0.133 4.019 3.960 -0.123 0.000 0.271 527 G C 0.690 175.590 174.900 -0.000 0.000 1.236 527 G CA -0.585 44.515 45.100 0.001 0.000 0.958 527 G HN 0.394 nan 8.290 nan 0.000 0.512 528 L N 0.248 121.477 121.223 0.009 0.000 2.376 528 L HA -0.017 4.249 4.340 -0.123 0.000 0.219 528 L C 2.651 179.503 176.870 -0.030 0.000 1.133 528 L CA 2.002 56.851 54.840 0.016 0.000 0.816 528 L CB -0.902 41.216 42.059 0.098 0.000 0.933 528 L HN 0.756 nan 8.230 nan 0.000 0.449 529 T N -4.894 109.616 114.554 -0.074 0.000 3.105 529 T HA 0.386 4.663 4.350 -0.123 0.000 0.253 529 T C 1.277 175.988 174.700 0.019 0.000 1.047 529 T CA 0.470 62.545 62.100 -0.042 0.000 0.944 529 T CB 0.788 69.548 68.868 -0.180 0.000 1.016 529 T HN 0.362 nan 8.240 nan 0.000 0.544 530 G N 1.423 110.223 108.800 -0.000 0.000 2.201 530 G HA2 -0.192 3.695 3.960 -0.123 0.000 0.212 530 G HA3 -0.192 3.695 3.960 -0.123 0.000 0.212 530 G C -0.072 174.827 174.900 -0.002 0.000 0.994 530 G CA -0.531 44.570 45.100 0.003 0.000 0.644 530 G HN 0.587 nan 8.290 nan 0.000 0.508 531 K N 1.130 121.530 120.400 -0.000 0.000 2.322 531 K HA 0.421 4.668 4.320 -0.123 0.000 0.283 531 K C 0.737 177.338 176.600 0.002 0.000 1.042 531 K CA -0.688 55.603 56.287 0.006 0.000 0.958 531 K CB 0.996 33.507 32.500 0.018 0.000 0.984 531 K HN 0.088 nan 8.250 nan 0.000 0.473 532 I N 2.743 123.314 120.570 0.001 0.000 2.683 532 I HA -0.106 3.990 4.170 -0.123 0.000 0.286 532 I C 0.698 176.816 176.117 0.002 0.000 1.175 532 I CA 0.222 61.521 61.300 -0.002 0.000 1.429 532 I CB 0.106 38.102 38.000 -0.005 0.000 1.371 532 I HN 0.610 nan 8.210 nan 0.000 0.569 533 D N 6.036 126.436 120.400 -0.001 0.000 2.508 533 D HA 0.129 4.696 4.640 -0.123 0.000 0.224 533 D C 1.395 177.694 176.300 -0.002 0.000 1.171 533 D CA -0.035 53.965 54.000 -0.001 0.000 1.006 533 D CB 0.657 41.455 40.800 -0.003 0.000 1.073 533 D HN 0.750 nan 8.370 nan 0.000 0.513 534 G N 2.756 111.556 108.800 0.001 0.000 2.475 534 G HA2 -0.386 3.500 3.960 -0.123 0.000 0.220 534 G HA3 -0.386 3.500 3.960 -0.123 0.000 0.220 534 G C 1.747 176.646 174.900 -0.001 0.000 1.125 534 G CA 1.321 46.421 45.100 0.000 0.000 0.755 534 G HN 0.574 nan 8.290 nan 0.000 0.565 535 R N 0.452 120.952 120.500 -0.001 0.000 2.075 535 R HA 0.405 4.672 4.340 -0.123 0.000 0.232 535 R C 2.883 179.180 176.300 -0.004 0.000 1.126 535 R CA 1.908 58.006 56.100 -0.003 0.000 0.963 535 R CB -1.257 29.040 30.300 -0.005 0.000 0.858 535 R HN 0.592 nan 8.270 nan 0.000 0.435 536 A N 0.903 123.720 122.820 -0.005 0.000 1.902 536 A HA 0.009 4.255 4.320 -0.123 0.000 0.217 536 A C 2.429 180.010 177.584 -0.005 0.000 1.181 536 A CA 1.535 53.569 52.037 -0.004 0.000 0.623 536 A CB -0.329 18.669 19.000 -0.003 0.000 0.818 536 A HN 0.513 nan 8.150 nan 0.000 0.443 537 I N -1.437 119.129 120.570 -0.007 0.000 2.353 537 I HA -0.193 3.904 4.170 -0.123 0.000 0.248 537 I C 2.663 178.772 176.117 -0.014 0.000 1.119 537 I CA 1.251 62.544 61.300 -0.012 0.000 1.417 537 I CB -0.281 37.710 38.000 -0.015 0.000 1.078 537 I HN 0.320 nan 8.210 nan 0.000 0.421 538 R N 1.049 121.543 120.500 -0.009 0.000 2.096 538 R HA -0.246 4.021 4.340 -0.123 0.000 0.240 538 R C 2.514 178.810 176.300 -0.007 0.000 1.139 538 R CA 2.325 58.421 56.100 -0.007 0.000 0.952 538 R CB -0.310 29.988 30.300 -0.003 0.000 0.854 538 R HN 0.457 nan 8.270 nan 0.000 0.436 539 E N 0.664 120.861 120.200 -0.005 0.000 2.072 539 E HA -0.128 4.149 4.350 -0.123 0.000 0.191 539 E C 1.889 178.486 176.600 -0.004 0.000 0.985 539 E CA 1.396 57.794 56.400 -0.004 0.000 0.801 539 E CB -0.678 29.021 29.700 -0.002 0.000 0.750 539 E HN 0.486 nan 8.360 nan 0.000 0.452 540 I N 0.107 120.674 120.570 -0.006 0.000 2.208 540 I HA -0.247 3.850 4.170 -0.123 0.000 0.245 540 I C 2.730 178.839 176.117 -0.013 0.000 1.097 540 I CA 1.306 62.602 61.300 -0.007 0.000 1.363 540 I CB -0.089 37.906 38.000 -0.008 0.000 1.051 540 I HN 0.229 nan 8.210 nan 0.000 0.413 541 L N 0.476 121.687 121.223 -0.019 0.000 2.156 541 L HA -0.121 4.146 4.340 -0.123 0.000 0.208 541 L C 1.639 178.499 176.870 -0.016 0.000 1.095 541 L CA 0.866 55.690 54.840 -0.026 0.000 0.770 541 L CB -0.605 41.435 42.059 -0.032 0.000 0.914 541 L HN 0.197 nan 8.230 nan 0.000 0.439 542 K N 0.000 120.394 120.400 -0.010 0.000 2.780 542 K HA 0.000 4.246 4.320 -0.123 0.000 0.191 542 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 542 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 542 K HN 0.000 nan 8.250 nan 0.000 0.543