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 2gmh_1_A DATA FIRST_RESID 4 DATA SEQUENCE CKVPRITTHY TIYPRDQDKR WEGVNMERFA EEADVVIVGA GPAGLSAATR DATA SEQUENCE LKQLAAQHEK DLRVCLVEKA AHIGAHTLSG ACLDPRAFEE LFPDWKEKGA DATA SEQUENCE PLNTPVTEDR FGILTEKYRI PVPILPGLPM NNHGNYVVRL GHLVSWMGEQ DATA SEQUENCE AEALGVEVYP GYAAAEILFH EDGSVKGIAT NDVGIQKDGA PKTTFERGLE DATA SEQUENCE LHAKVTIFAE GCHGHLAKQL YKKFDLRANC EPQTYGIGLK ELWVIDEKKW DATA SEQUENCE KPGRVDHTVG WPLDRHTYGG SFLYHLNEGE PLLALGFVVG LDYQNPYLSP DATA SEQUENCE FREFQRWKHH PSIKPTLEGG KRIAYGARAL NEGGFQSIPK LTFPGGLLIG DATA SEQUENCE CSPGFMNVPK IKGTHTAMKS GTLAAESIFN QLTSENLQSK TIGLHVTEYE DATA SEQUENCE DNLKNSWVWK ELYSVRNIRP SCHGILGVYG GMIYTGIFYW IFRGMEPWTL DATA SEQUENCE KHKGSDSDQL KPAKDCTPIE YPKPDGQISF DLLSSVALSG TNHEHDQPAH DATA SEQUENCE LTLKDDSVPV NRNLSIYDGP EQRFCPAGVY EFVPLEQGDG FRLQINAQNC DATA SEQUENCE VHCKTCDIKD PSQNINWVVP EGGGGPAYNG M VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 C HA 0.000 nan 4.460 nan 0.000 0.325 4 C C 0.000 174.989 174.990 -0.002 0.000 1.270 4 C CA 0.000 59.015 59.018 -0.005 0.000 1.963 4 C CB 0.000 27.736 27.740 -0.007 0.000 2.134 5 K N 0.471 120.871 120.400 -0.000 0.000 2.041 5 K HA 0.645 4.964 4.320 -0.000 0.000 0.277 5 K C 0.305 176.913 176.600 0.013 0.000 0.965 5 K CA 0.021 56.311 56.287 0.006 0.000 1.138 5 K CB -0.409 32.096 32.500 0.007 0.000 3.194 5 K HN 0.371 nan 8.250 nan 0.000 1.085 6 V N 1.221 121.147 119.914 0.020 0.000 3.541 6 V HA 0.122 4.241 4.120 -0.000 0.000 0.272 6 V C -1.846 174.271 176.094 0.040 0.000 1.215 6 V CA 0.425 62.745 62.300 0.034 0.000 1.176 6 V CB -0.557 31.288 31.823 0.037 0.000 0.854 6 V HN 0.679 nan 8.190 nan 0.000 0.496 7 P HA 0.308 nan 4.420 nan 0.000 0.402 7 P C -0.030 177.274 177.300 0.006 0.000 1.322 7 P CA -0.472 62.635 63.100 0.011 0.000 1.636 7 P CB 0.657 32.361 31.700 0.008 0.000 1.696 8 R N 0.320 120.831 120.500 0.018 0.000 3.205 8 R HA -0.166 4.174 4.340 -0.000 0.000 0.249 8 R C 0.937 177.250 176.300 0.021 0.000 0.937 8 R CA 0.110 56.223 56.100 0.021 0.000 0.641 8 R CB -3.055 27.227 30.300 -0.030 0.000 1.114 8 R HN 0.255 nan 8.270 nan 0.000 0.451 9 I N -1.559 119.032 120.570 0.034 0.000 2.290 9 I HA -0.283 3.887 4.170 -0.000 0.000 0.253 9 I C 0.806 176.945 176.117 0.036 0.000 1.112 9 I CA 1.797 63.111 61.300 0.023 0.000 1.377 9 I CB -0.336 37.683 38.000 0.032 0.000 1.060 9 I HN 0.248 nan 8.210 nan 0.000 0.428 10 T N 0.673 115.278 114.554 0.086 0.000 2.753 10 T HA 0.331 4.681 4.350 -0.000 0.000 0.297 10 T C 0.836 175.656 174.700 0.200 0.000 0.981 10 T CA -0.125 62.067 62.100 0.152 0.000 0.956 10 T CB 0.903 69.890 68.868 0.197 0.000 0.936 10 T HN 0.369 nan 8.240 nan 0.000 0.463 11 T N -1.285 113.354 114.554 0.141 0.000 3.144 11 T HA 0.137 4.487 4.350 -0.000 0.000 0.290 11 T C 0.314 175.095 174.700 0.135 0.000 0.966 11 T CA -0.396 61.753 62.100 0.083 0.000 0.907 11 T CB -0.131 68.742 68.868 0.008 0.000 1.152 11 T HN 0.613 nan 8.240 nan 0.000 0.532 12 H N 1.756 120.861 119.070 0.057 0.000 2.815 12 H HA 0.088 4.644 4.556 -0.000 0.000 0.350 12 H C 1.209 176.513 175.328 -0.040 0.000 1.080 12 H CA 0.379 56.374 56.048 -0.089 0.000 1.433 12 H CB 0.669 30.287 29.762 -0.241 0.000 1.432 12 H HN 0.531 nan 8.280 nan 0.000 0.592 13 Y N 1.603 121.731 120.300 -0.288 0.000 2.384 13 Y HA -0.189 4.361 4.550 -0.000 0.000 0.289 13 Y C 2.140 178.072 175.900 0.053 0.000 1.152 13 Y CA 0.984 59.004 58.100 -0.133 0.000 1.258 13 Y CB -0.735 37.549 38.460 -0.293 0.000 0.979 13 Y HN 0.476 nan 8.280 nan 0.000 0.549 14 T N -2.323 112.356 114.554 0.209 0.000 3.072 14 T HA 0.046 4.395 4.350 -0.000 0.000 0.266 14 T C 1.494 176.223 174.700 0.048 0.000 1.127 14 T CA 1.186 63.387 62.100 0.169 0.000 1.107 14 T CB -0.372 68.531 68.868 0.058 0.000 0.910 14 T HN 0.571 nan 8.240 nan 0.000 0.513 15 I N -1.743 118.839 120.570 0.019 0.000 3.883 15 I HA 0.238 4.408 4.170 -0.000 0.000 0.305 15 I C -0.184 175.738 176.117 -0.325 0.000 1.247 15 I CA -0.045 61.151 61.300 -0.173 0.000 1.350 15 I CB 0.717 38.586 38.000 -0.219 0.000 1.194 15 I HN 0.145 nan 8.210 nan 0.000 0.441 16 Y N 1.667 121.982 120.300 0.024 0.000 2.787 16 Y HA 0.368 4.918 4.550 -0.000 0.000 0.352 16 Y C -2.421 173.472 175.900 -0.013 0.000 1.027 16 Y CA -2.588 55.517 58.100 0.008 0.000 1.219 16 Y CB 0.268 38.736 38.460 0.013 0.000 1.110 16 Y HN -0.093 nan 8.280 nan 0.000 0.614 17 P HA -0.053 nan 4.420 nan 0.000 0.263 17 P C 0.187 177.441 177.300 -0.076 0.000 1.168 17 P CA 0.349 63.451 63.100 0.003 0.000 0.759 17 P CB 0.697 32.395 31.700 -0.004 0.000 0.782 18 R N 2.329 122.666 120.500 -0.272 0.000 2.313 18 R HA -0.001 4.338 4.340 -0.000 0.000 0.199 18 R C 1.100 177.242 176.300 -0.262 0.000 0.958 18 R CA 0.381 56.179 56.100 -0.504 0.000 1.047 18 R CB -0.340 29.082 30.300 -1.463 0.000 0.955 18 R HN 0.495 nan 8.270 nan 0.000 0.481 19 D N 1.074 121.382 120.400 -0.153 0.000 2.340 19 D HA -0.100 4.540 4.640 -0.000 0.000 0.220 19 D C 1.014 177.302 176.300 -0.019 0.000 1.039 19 D CA 0.517 54.475 54.000 -0.070 0.000 0.866 19 D CB 0.389 41.150 40.800 -0.065 0.000 0.913 19 D HN 0.278 nan 8.370 nan 0.000 0.523 20 Q N 0.282 120.074 119.800 -0.012 0.000 2.171 20 Q HA 0.089 4.429 4.340 -0.000 0.000 0.218 20 Q C -0.660 175.369 176.000 0.050 0.000 0.822 20 Q CA -0.175 55.643 55.803 0.024 0.000 0.987 20 Q CB 0.997 29.757 28.738 0.036 0.000 1.144 20 Q HN 0.286 nan 8.270 nan 0.000 0.494 21 D N -0.121 120.316 120.400 0.061 0.000 2.696 21 D HA 0.052 4.692 4.640 -0.000 0.000 0.251 21 D C 0.742 177.131 176.300 0.149 0.000 1.188 21 D CA -0.416 53.644 54.000 0.101 0.000 0.876 21 D CB 1.334 42.200 40.800 0.110 0.000 1.334 21 D HN -0.114 nan 8.370 nan 0.000 0.540 22 K N 3.311 123.767 120.400 0.093 0.000 2.189 22 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 22 K C 1.329 177.966 176.600 0.061 0.000 1.046 22 K CA 0.963 57.291 56.287 0.068 0.000 0.928 22 K CB -0.465 32.054 32.500 0.032 0.000 0.720 22 K HN 0.410 nan 8.250 nan 0.000 0.458 23 R N -0.305 120.237 120.500 0.070 0.000 2.249 23 R HA -0.120 4.219 4.340 -0.000 0.000 0.230 23 R C 0.960 177.122 176.300 -0.230 0.000 1.121 23 R CA 1.511 57.574 56.100 -0.062 0.000 0.997 23 R CB -0.242 30.025 30.300 -0.056 0.000 0.867 23 R HN 0.367 nan 8.270 nan 0.000 0.465 24 W N -0.482 120.760 121.300 -0.096 0.000 3.123 24 W HA 0.221 4.880 4.660 -0.000 0.000 0.383 24 W C 1.384 177.843 176.519 -0.099 0.000 1.102 24 W CA -0.619 56.647 57.345 -0.131 0.000 1.865 24 W CB 0.330 29.699 29.460 -0.152 0.000 1.111 24 W HN -0.022 nan 8.180 nan 0.000 0.621 25 E N 0.613 120.855 120.200 0.071 0.000 2.035 25 E HA -0.193 4.157 4.350 -0.000 0.000 0.204 25 E C 2.452 179.066 176.600 0.023 0.000 1.025 25 E CA 2.397 58.823 56.400 0.043 0.000 0.835 25 E CB -0.735 28.972 29.700 0.012 0.000 0.764 25 E HN 0.186 nan 8.360 nan 0.000 0.457 26 G N -0.205 108.585 108.800 -0.017 0.000 2.448 26 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.218 26 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.218 26 G C 0.229 175.127 174.900 -0.002 0.000 1.135 26 G CA 0.550 45.641 45.100 -0.015 0.000 0.784 26 G HN 0.192 nan 8.290 nan 0.000 0.543 27 V N 1.547 121.452 119.914 -0.016 0.000 2.557 27 V HA 0.007 4.127 4.120 -0.000 0.000 0.301 27 V C 0.338 176.485 176.094 0.088 0.000 1.026 27 V CA -0.588 61.721 62.300 0.016 0.000 1.137 27 V CB 0.237 32.042 31.823 -0.030 0.000 0.917 27 V HN 0.349 nan 8.190 nan 0.000 0.484 28 N N 4.430 123.193 118.700 0.103 0.000 2.422 28 N HA 0.265 5.005 4.740 -0.000 0.000 0.264 28 N C 0.146 175.746 175.510 0.150 0.000 1.063 28 N CA -0.345 52.768 53.050 0.106 0.000 0.959 28 N CB 1.158 39.698 38.487 0.088 0.000 1.087 28 N HN 0.631 nan 8.380 nan 0.000 0.483 29 M N 1.678 121.348 119.600 0.116 0.000 2.551 29 M HA 0.212 4.692 4.480 -0.000 0.000 0.252 29 M C -0.071 176.254 176.300 0.043 0.000 1.219 29 M CA 0.004 55.370 55.300 0.111 0.000 0.978 29 M CB -0.412 32.224 32.600 0.061 0.000 1.533 29 M HN 0.540 nan 8.290 nan 0.000 0.474 30 E N 1.077 121.295 120.200 0.031 0.000 2.324 30 E HA 0.142 4.492 4.350 -0.000 0.000 0.271 30 E C -0.372 176.166 176.600 -0.103 0.000 1.028 30 E CA 0.096 56.498 56.400 0.005 0.000 0.890 30 E CB 0.692 30.421 29.700 0.049 0.000 1.004 30 E HN 0.292 nan 8.360 nan 0.000 0.431 31 R N 3.569 124.009 120.500 -0.100 0.000 2.532 31 R HA 0.344 4.683 4.340 -0.000 0.000 0.295 31 R C -0.407 175.822 176.300 -0.119 0.000 0.968 31 R CA -0.675 55.289 56.100 -0.227 0.000 0.916 31 R CB 1.189 31.415 30.300 -0.125 0.000 1.124 31 R HN 0.417 nan 8.270 nan 0.000 0.463 32 F N 0.706 120.641 119.950 -0.026 0.000 2.406 32 F HA 0.482 5.008 4.527 -0.000 0.000 0.327 32 F C 0.924 176.669 175.800 -0.090 0.000 1.153 32 F CA -0.646 57.325 58.000 -0.049 0.000 1.218 32 F CB 0.858 39.826 39.000 -0.053 0.000 1.215 32 F HN 0.428 nan 8.300 nan 0.000 0.570 33 A N 1.476 124.336 122.820 0.066 0.000 2.454 33 A HA 0.710 5.030 4.320 -0.000 0.000 0.302 33 A C -1.426 176.058 177.584 -0.166 0.000 1.079 33 A CA -0.597 51.342 52.037 -0.162 0.000 0.731 33 A CB 1.948 20.728 19.000 -0.366 0.000 1.299 33 A HN 0.669 nan 8.150 nan 0.000 0.413 34 E N 0.179 120.241 120.200 -0.229 0.000 2.288 34 E HA 0.559 4.908 4.350 -0.000 0.000 0.268 34 E C -1.205 175.309 176.600 -0.143 0.000 0.885 34 E CA -0.304 56.011 56.400 -0.142 0.000 0.767 34 E CB 1.760 31.388 29.700 -0.120 0.000 1.220 34 E HN 0.591 nan 8.360 nan 0.000 0.427 35 E N 1.088 121.249 120.200 -0.065 0.000 2.171 35 E HA 0.754 5.104 4.350 -0.000 0.000 0.271 35 E C -1.358 175.249 176.600 0.011 0.000 0.916 35 E CA -0.761 55.634 56.400 -0.008 0.000 0.774 35 E CB 1.621 31.330 29.700 0.014 0.000 1.128 35 E HN 0.510 nan 8.360 nan 0.000 0.403 36 A N 2.898 125.736 122.820 0.030 0.000 2.552 36 A HA 0.391 4.711 4.320 -0.000 0.000 0.288 36 A C -0.321 177.280 177.584 0.028 0.000 1.193 36 A CA -0.589 51.463 52.037 0.026 0.000 0.713 36 A CB 1.188 20.201 19.000 0.023 0.000 1.305 36 A HN 0.636 nan 8.150 nan 0.000 0.424 37 D N -0.876 119.536 120.400 0.019 0.000 2.269 37 D HA 0.192 4.832 4.640 -0.000 0.000 0.220 37 D C 0.082 176.385 176.300 0.004 0.000 0.962 37 D CA 1.503 55.511 54.000 0.013 0.000 0.884 37 D CB 0.389 41.194 40.800 0.009 0.000 1.023 37 D HN 0.193 nan 8.370 nan 0.000 0.484 38 V N 1.336 121.250 119.914 -0.000 0.000 2.638 38 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 38 V C -0.360 175.714 176.094 -0.032 0.000 1.052 38 V CA -0.792 61.495 62.300 -0.023 0.000 0.885 38 V CB 2.906 34.716 31.823 -0.022 0.000 0.999 38 V HN -0.242 nan 8.190 nan 0.000 0.424 39 V N 5.930 125.804 119.914 -0.066 0.000 2.495 39 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 39 V C -0.359 175.651 176.094 -0.140 0.000 1.031 39 V CA -0.399 61.854 62.300 -0.078 0.000 0.871 39 V CB 1.871 33.646 31.823 -0.079 0.000 0.988 39 V HN 0.681 nan 8.190 nan 0.000 0.432 40 I N 4.818 125.326 120.570 -0.104 0.000 2.433 40 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 40 I C -0.674 175.386 176.117 -0.095 0.000 1.001 40 I CA -0.927 60.300 61.300 -0.120 0.000 1.119 40 I CB 2.165 40.129 38.000 -0.061 0.000 1.289 40 I HN 0.237 nan 8.210 nan 0.000 0.438 41 V N 4.884 124.717 119.914 -0.135 0.000 2.311 41 V HA 0.769 4.889 4.120 -0.000 0.000 0.275 41 V C 0.353 176.480 176.094 0.054 0.000 1.022 41 V CA -0.434 61.844 62.300 -0.037 0.000 0.830 41 V CB 0.619 32.397 31.823 -0.076 0.000 1.012 41 V HN 1.078 nan 8.190 nan 0.000 0.452 42 G N 4.037 112.888 108.800 0.085 0.000 3.438 42 G HA2 0.299 4.259 3.960 -0.000 0.000 0.684 42 G HA3 0.299 4.259 3.960 -0.000 0.000 0.684 42 G C -0.264 174.692 174.900 0.092 0.000 1.192 42 G CA -0.383 44.784 45.100 0.111 0.000 1.013 42 G HN 1.352 nan 8.290 nan 0.000 0.530 43 A N 1.759 124.634 122.820 0.093 0.000 3.215 43 A HA 0.768 5.088 4.320 -0.000 0.000 0.269 43 A C 1.258 178.903 177.584 0.102 0.000 1.517 43 A CA 0.989 53.075 52.037 0.082 0.000 1.221 43 A CB -0.245 18.793 19.000 0.063 0.000 1.160 43 A HN 2.001 nan 8.150 nan 0.000 0.620 44 G N 0.104 108.973 108.800 0.115 0.000 2.642 44 G HA2 0.539 4.499 3.960 -0.000 0.000 0.291 44 G HA3 0.539 4.499 3.960 -0.000 0.000 0.291 44 G C -1.269 173.714 174.900 0.138 0.000 1.345 44 G CA -1.195 43.982 45.100 0.128 0.000 1.043 44 G HN 0.135 nan 8.290 nan 0.000 0.528 45 P HA -0.081 nan 4.420 nan 0.000 0.220 45 P C 1.682 179.088 177.300 0.177 0.000 1.148 45 P CA 1.771 64.976 63.100 0.174 0.000 0.803 45 P CB 0.182 31.980 31.700 0.163 0.000 0.782 46 A N 0.617 123.532 122.820 0.159 0.000 1.840 46 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 46 A C 2.641 180.294 177.584 0.114 0.000 1.198 46 A CA 1.792 53.918 52.037 0.150 0.000 0.608 46 A CB -1.891 17.210 19.000 0.168 0.000 0.839 46 A HN 0.248 nan 8.150 nan 0.000 0.443 47 G N -0.088 108.775 108.800 0.104 0.000 2.440 47 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 47 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 47 G C 1.545 176.486 174.900 0.068 0.000 1.154 47 G CA 1.157 46.298 45.100 0.070 0.000 0.767 47 G HN 0.411 nan 8.290 nan 0.000 0.552 48 L N 0.562 121.846 121.223 0.102 0.000 2.141 48 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 48 L C 3.152 180.101 176.870 0.131 0.000 1.094 48 L CA 0.883 55.794 54.840 0.118 0.000 0.763 48 L CB -0.228 41.929 42.059 0.163 0.000 0.908 48 L HN 0.179 nan 8.230 nan 0.000 0.437 49 S N -0.022 115.761 115.700 0.138 0.000 2.355 49 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 49 S C 2.213 176.830 174.600 0.029 0.000 1.031 49 S CA 1.196 59.460 58.200 0.107 0.000 0.993 49 S CB -0.219 63.055 63.200 0.123 0.000 0.859 49 S HN 0.495 nan 8.310 nan 0.000 0.453 50 A N 1.737 124.571 122.820 0.022 0.000 1.877 50 A HA 0.081 4.400 4.320 -0.000 0.000 0.216 50 A C 2.372 179.940 177.584 -0.027 0.000 1.186 50 A CA 1.807 53.831 52.037 -0.021 0.000 0.620 50 A CB -1.239 17.739 19.000 -0.036 0.000 0.822 50 A HN 0.509 nan 8.150 nan 0.000 0.443 51 A N -1.041 121.774 122.820 -0.008 0.000 1.865 51 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 51 A C 2.333 179.903 177.584 -0.023 0.000 1.191 51 A CA 2.478 54.506 52.037 -0.014 0.000 0.623 51 A CB -1.479 17.518 19.000 -0.005 0.000 0.826 51 A HN 0.436 nan 8.150 nan 0.000 0.444 52 T N -0.643 113.909 114.554 -0.004 0.000 2.580 52 T HA -0.215 4.134 4.350 -0.000 0.000 0.265 52 T C 2.130 176.768 174.700 -0.103 0.000 1.063 52 T CA 2.035 64.121 62.100 -0.024 0.000 1.170 52 T CB -0.300 68.578 68.868 0.016 0.000 0.863 52 T HN 0.471 nan 8.240 nan 0.000 0.418 53 R N 0.860 121.281 120.500 -0.132 0.000 2.103 53 R HA -0.005 4.335 4.340 -0.000 0.000 0.242 53 R C 2.343 178.539 176.300 -0.173 0.000 1.142 53 R CA 1.420 57.421 56.100 -0.166 0.000 0.960 53 R CB -1.018 29.201 30.300 -0.136 0.000 0.858 53 R HN 0.427 nan 8.270 nan 0.000 0.439 54 L N -0.002 121.149 121.223 -0.120 0.000 2.042 54 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 54 L C 2.156 178.948 176.870 -0.131 0.000 1.076 54 L CA 1.326 56.102 54.840 -0.107 0.000 0.749 54 L CB -0.341 41.711 42.059 -0.012 0.000 0.893 54 L HN 0.118 nan 8.230 nan 0.000 0.432 55 K N -0.268 120.077 120.400 -0.092 0.000 2.432 55 K HA -0.077 4.243 4.320 -0.000 0.000 0.196 55 K C 1.956 178.485 176.600 -0.119 0.000 1.038 55 K CA 0.792 57.035 56.287 -0.073 0.000 0.986 55 K CB 0.128 32.601 32.500 -0.045 0.000 0.782 55 K HN 0.478 nan 8.250 nan 0.000 0.485 56 Q N -0.282 119.416 119.800 -0.171 0.000 2.089 56 Q HA -0.006 4.334 4.340 -0.000 0.000 0.195 56 Q C 1.712 177.546 176.000 -0.276 0.000 0.963 56 Q CA 0.516 56.205 55.803 -0.190 0.000 0.834 56 Q CB 0.091 28.710 28.738 -0.199 0.000 0.906 56 Q HN 0.041 nan 8.270 nan 0.000 0.452 57 L N 0.570 121.539 121.223 -0.423 0.000 2.131 57 L HA -0.123 4.216 4.340 -0.000 0.000 0.210 57 L C 2.200 178.607 176.870 -0.772 0.000 1.092 57 L CA 1.722 56.130 54.840 -0.720 0.000 0.759 57 L CB -1.256 40.087 42.059 -1.193 0.000 0.903 57 L HN 0.157 nan 8.230 nan 0.000 0.435 58 A N -0.963 121.570 122.820 -0.479 0.000 1.898 58 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 58 A C 2.477 180.084 177.584 0.038 0.000 1.181 58 A CA 1.565 53.625 52.037 0.039 0.000 0.620 58 A CB -0.638 18.442 19.000 0.133 0.000 0.819 58 A HN 0.379 nan 8.150 nan 0.000 0.442 59 A N -0.780 122.000 122.820 -0.066 0.000 1.872 59 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 59 A C 2.201 179.729 177.584 -0.092 0.000 1.187 59 A CA 1.687 53.690 52.037 -0.056 0.000 0.614 59 A CB -0.629 18.329 19.000 -0.071 0.000 0.826 59 A HN 0.636 nan 8.150 nan 0.000 0.442 60 Q N -0.682 119.000 119.800 -0.196 0.000 2.045 60 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 60 Q C 1.127 176.937 176.000 -0.316 0.000 0.991 60 Q CA 2.176 57.785 55.803 -0.322 0.000 0.851 60 Q CB -0.197 28.220 28.738 -0.535 0.000 0.911 60 Q HN 0.866 nan 8.270 nan 0.000 0.418 61 H N 0.496 119.590 119.070 0.040 0.000 2.517 61 H HA 0.145 4.700 4.556 -0.000 0.000 0.282 61 H C -0.750 174.645 175.328 0.112 0.000 1.023 61 H CA 0.284 56.398 56.048 0.111 0.000 1.169 61 H CB 0.141 30.047 29.762 0.240 0.000 1.454 61 H HN 0.315 nan 8.280 nan 0.000 0.556 62 E N 1.607 121.893 120.200 0.143 0.000 2.272 62 E HA -0.248 4.101 4.350 -0.000 0.000 0.160 62 E C -0.728 175.949 176.600 0.129 0.000 1.627 62 E CA 0.401 56.866 56.400 0.108 0.000 0.641 62 E CB -1.165 28.576 29.700 0.067 0.000 1.060 62 E HN 0.557 nan 8.360 nan 0.000 0.324 63 K N 1.132 121.634 120.400 0.169 0.000 2.444 63 K HA 0.437 4.756 4.320 -0.000 0.000 0.252 63 K C -0.697 175.968 176.600 0.109 0.000 0.993 63 K CA -1.121 55.242 56.287 0.127 0.000 0.847 63 K CB 1.404 33.984 32.500 0.134 0.000 1.340 63 K HN -0.010 nan 8.250 nan 0.000 0.446 64 D N 1.640 122.077 120.400 0.061 0.000 2.274 64 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 64 D C -1.050 175.284 176.300 0.058 0.000 1.104 64 D CA -0.326 53.706 54.000 0.052 0.000 0.840 64 D CB 1.045 41.860 40.800 0.026 0.000 1.100 64 D HN 0.113 nan 8.370 nan 0.000 0.477 65 L N 2.438 123.707 121.223 0.077 0.000 2.441 65 L HA 0.317 4.657 4.340 -0.000 0.000 0.270 65 L C -0.479 176.421 176.870 0.050 0.000 0.973 65 L CA -0.486 54.401 54.840 0.079 0.000 0.842 65 L CB 1.630 43.786 42.059 0.162 0.000 1.239 65 L HN 0.180 nan 8.230 nan 0.000 0.406 66 R N 3.971 124.491 120.500 0.034 0.000 2.202 66 R HA 0.665 5.005 4.340 -0.000 0.000 0.334 66 R C -1.566 174.747 176.300 0.022 0.000 1.036 66 R CA -0.380 55.735 56.100 0.025 0.000 0.878 66 R CB 0.881 31.194 30.300 0.022 0.000 1.067 66 R HN 0.471 nan 8.270 nan 0.000 0.457 67 V N 5.358 125.280 119.914 0.013 0.000 2.407 67 V HA 0.290 4.410 4.120 -0.000 0.000 0.291 67 V C -0.386 175.705 176.094 -0.006 0.000 1.018 67 V CA -0.801 61.500 62.300 0.002 0.000 0.842 67 V CB 1.520 33.341 31.823 -0.003 0.000 0.996 67 V HN 0.855 nan 8.190 nan 0.000 0.426 68 C N 6.568 125.875 119.300 0.012 0.000 2.303 68 C HA 0.592 5.052 4.460 -0.000 0.000 0.326 68 C C -0.195 174.809 174.990 0.023 0.000 1.285 68 C CA -0.771 58.275 59.018 0.048 0.000 1.675 68 C CB 0.927 28.746 27.740 0.132 0.000 2.289 68 C HN 0.683 nan 8.230 nan 0.000 0.512 69 L N 6.359 127.579 121.223 -0.005 0.000 2.319 69 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 69 L C -0.250 176.659 176.870 0.064 0.000 1.005 69 L CA 0.047 54.887 54.840 0.001 0.000 0.828 69 L CB 1.243 43.280 42.059 -0.036 0.000 1.227 69 L HN 0.662 nan 8.230 nan 0.000 0.415 70 V N 2.397 122.370 119.914 0.099 0.000 2.581 70 V HA 0.896 5.016 4.120 -0.000 0.000 0.303 70 V C -0.651 175.533 176.094 0.150 0.000 1.041 70 V CA -0.598 61.802 62.300 0.166 0.000 0.907 70 V CB 1.953 33.874 31.823 0.164 0.000 0.994 70 V HN 0.847 nan 8.190 nan 0.000 0.442 71 E N 2.295 122.603 120.200 0.180 0.000 2.356 71 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 71 E C 0.141 176.820 176.600 0.132 0.000 0.904 71 E CA -0.642 55.840 56.400 0.137 0.000 0.757 71 E CB 2.470 32.223 29.700 0.088 0.000 1.232 71 E HN 0.632 nan 8.360 nan 0.000 0.442 72 K N 1.535 122.004 120.400 0.115 0.000 2.025 72 K HA 0.163 4.483 4.320 -0.000 0.000 0.207 72 K C 0.464 176.998 176.600 -0.109 0.000 1.049 72 K CA 0.993 57.346 56.287 0.111 0.000 0.933 72 K CB -0.235 32.446 32.500 0.302 0.000 0.714 72 K HN 0.585 nan 8.250 nan 0.000 0.438 73 A N 1.182 123.732 122.820 -0.449 0.000 2.587 73 A HA 0.110 4.430 4.320 -0.000 0.000 0.235 73 A C 1.345 178.801 177.584 -0.214 0.000 1.044 73 A CA 0.718 52.344 52.037 -0.685 0.000 0.754 73 A CB 0.182 18.834 19.000 -0.580 0.000 0.968 73 A HN 0.401 nan 8.150 nan 0.000 0.509 74 A N 2.229 124.951 122.820 -0.163 0.000 1.873 74 A HA -0.035 4.284 4.320 -0.000 0.000 0.218 74 A C 1.018 178.629 177.584 0.045 0.000 1.193 74 A CA 1.969 53.964 52.037 -0.070 0.000 0.629 74 A CB -0.875 18.055 19.000 -0.117 0.000 0.826 74 A HN 1.312 nan 8.150 nan 0.000 0.447 75 H N -3.241 115.796 119.070 -0.054 0.000 2.895 75 H HA 0.592 5.148 4.556 -0.000 0.000 0.373 75 H C -0.787 174.535 175.328 -0.011 0.000 1.174 75 H CA -1.799 54.240 56.048 -0.015 0.000 1.144 75 H CB 0.798 30.565 29.762 0.009 0.000 1.793 75 H HN 0.025 nan 8.280 nan 0.000 0.551 76 I N 2.205 122.799 120.570 0.039 0.000 2.906 76 I HA -0.077 4.093 4.170 -0.000 0.000 0.301 76 I C 1.625 177.749 176.117 0.011 0.000 1.221 76 I CA 2.186 63.489 61.300 0.005 0.000 1.435 76 I CB -0.240 37.751 38.000 -0.015 0.000 1.345 76 I HN 1.175 nan 8.210 nan 0.000 0.558 77 G N 4.914 113.757 108.800 0.072 0.000 2.195 77 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 77 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 77 G C 1.030 176.039 174.900 0.182 0.000 0.984 77 G CA 0.534 45.705 45.100 0.118 0.000 0.633 77 G HN 0.895 nan 8.290 nan 0.000 0.525 78 A N -0.447 122.481 122.820 0.180 0.000 2.119 78 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 78 A C 1.487 179.231 177.584 0.267 0.000 1.153 78 A CA 1.772 53.938 52.037 0.215 0.000 0.692 78 A CB -0.367 18.724 19.000 0.152 0.000 0.799 78 A HN 0.752 nan 8.150 nan 0.000 0.458 79 H N -1.291 117.826 119.070 0.077 0.000 2.672 79 H HA 0.116 4.671 4.556 -0.000 0.000 0.277 79 H C -0.326 175.166 175.328 0.273 0.000 1.074 79 H CA -0.281 55.797 56.048 0.050 0.000 1.173 79 H CB 0.505 30.267 29.762 0.001 0.000 1.558 79 H HN 0.258 nan 8.280 nan 0.000 0.539 80 T N 2.464 117.255 114.554 0.395 0.000 2.752 80 T HA 0.243 4.593 4.350 -0.000 0.000 0.295 80 T C -0.306 174.502 174.700 0.180 0.000 0.923 80 T CA -0.000 62.253 62.100 0.255 0.000 1.112 80 T CB 0.655 69.621 68.868 0.164 0.000 0.884 80 T HN 0.143 nan 8.240 nan 0.000 0.525 81 L N 3.566 124.843 121.223 0.090 0.000 2.406 81 L HA 0.712 5.051 4.340 -0.000 0.000 0.272 81 L C -0.392 176.447 176.870 -0.051 0.000 0.980 81 L CA -0.010 54.778 54.840 -0.087 0.000 0.831 81 L CB 1.823 43.777 42.059 -0.174 0.000 1.253 81 L HN 0.667 nan 8.230 nan 0.000 0.406 82 S N 1.604 117.258 115.700 -0.078 0.000 2.656 82 S HA 0.673 5.142 4.470 -0.000 0.000 0.273 82 S C 0.429 174.951 174.600 -0.131 0.000 1.168 82 S CA 0.085 58.232 58.200 -0.088 0.000 0.817 82 S CB 1.328 64.500 63.200 -0.047 0.000 1.146 82 S HN 0.719 nan 8.310 nan 0.000 0.475 83 G N 0.703 109.322 108.800 -0.302 0.000 2.486 83 G HA2 0.481 4.441 3.960 -0.000 0.000 0.210 83 G HA3 0.481 4.441 3.960 -0.000 0.000 0.210 83 G C 0.544 175.430 174.900 -0.022 0.000 1.168 83 G CA 0.593 45.397 45.100 -0.494 0.000 0.820 83 G HN 2.006 nan 8.290 nan 0.000 0.544 84 A N -1.665 121.149 122.820 -0.009 0.000 1.937 84 A HA -0.049 4.270 4.320 -0.000 0.000 0.245 84 A C -0.166 177.436 177.584 0.029 0.000 1.310 84 A CA 0.143 52.203 52.037 0.038 0.000 0.668 84 A CB -1.975 17.028 19.000 0.004 0.000 1.247 84 A HN 0.914 nan 8.150 nan 0.000 0.260 85 C N 4.651 123.918 119.300 -0.055 0.000 2.293 85 C HA 0.674 5.134 4.460 -0.000 0.000 0.323 85 C C 0.378 175.297 174.990 -0.119 0.000 1.240 85 C CA -0.535 58.371 59.018 -0.186 0.000 1.497 85 C CB 0.527 28.086 27.740 -0.302 0.000 2.171 85 C HN 0.874 nan 8.230 nan 0.000 0.465 86 L N 4.877 126.038 121.223 -0.104 0.000 2.295 86 L HA 0.442 4.782 4.340 -0.000 0.000 0.285 86 L C -0.318 176.492 176.870 -0.099 0.000 1.035 86 L CA 0.154 54.936 54.840 -0.097 0.000 0.806 86 L CB 1.218 43.196 42.059 -0.134 0.000 1.214 86 L HN 0.636 nan 8.230 nan 0.000 0.426 87 D N 6.571 126.882 120.400 -0.148 0.000 2.347 87 D HA 0.235 4.875 4.640 -0.000 0.000 0.235 87 D C -1.862 174.423 176.300 -0.024 0.000 1.149 87 D CA -1.875 52.022 54.000 -0.171 0.000 0.850 87 D CB 1.926 42.465 40.800 -0.435 0.000 1.061 87 D HN 0.296 nan 8.370 nan 0.000 0.487 88 P HA -0.085 nan 4.420 nan 0.000 0.225 88 P C 1.387 178.766 177.300 0.132 0.000 1.148 88 P CA 0.419 63.580 63.100 0.101 0.000 0.779 88 P CB 0.234 32.036 31.700 0.170 0.000 0.780 89 R N 0.520 121.039 120.500 0.033 0.000 2.196 89 R HA -0.280 4.060 4.340 -0.000 0.000 0.244 89 R C 1.945 178.311 176.300 0.110 0.000 1.121 89 R CA 2.564 58.640 56.100 -0.040 0.000 0.930 89 R CB -1.006 29.083 30.300 -0.351 0.000 0.890 89 R HN 0.173 nan 8.270 nan 0.000 0.435 90 A N -0.764 122.216 122.820 0.266 0.000 2.021 90 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 90 A C 1.874 179.619 177.584 0.268 0.000 1.163 90 A CA 0.636 52.881 52.037 0.348 0.000 0.676 90 A CB -0.501 18.779 19.000 0.467 0.000 0.818 90 A HN 0.523 nan 8.150 nan 0.000 0.453 91 F N 1.349 121.375 119.950 0.126 0.000 2.075 91 F HA -0.130 4.396 4.527 -0.000 0.000 0.297 91 F C 2.059 177.937 175.800 0.130 0.000 1.113 91 F CA 2.166 60.229 58.000 0.106 0.000 1.218 91 F CB -0.311 38.669 39.000 -0.034 0.000 0.984 91 F HN 0.339 nan 8.300 nan 0.000 0.472 92 E N -0.287 119.943 120.200 0.050 0.000 2.268 92 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 92 E C 2.056 178.685 176.600 0.048 0.000 0.995 92 E CA 0.981 57.428 56.400 0.078 0.000 0.836 92 E CB -0.245 29.595 29.700 0.234 0.000 0.763 92 E HN 0.608 nan 8.360 nan 0.000 0.491 93 E N 0.582 120.806 120.200 0.040 0.000 2.072 93 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 93 E C 1.989 178.539 176.600 -0.083 0.000 0.982 93 E CA 0.498 56.912 56.400 0.023 0.000 0.803 93 E CB 0.131 29.882 29.700 0.084 0.000 0.755 93 E HN 0.125 nan 8.360 nan 0.000 0.453 94 L N -0.288 120.828 121.223 -0.179 0.000 2.179 94 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 94 L C -0.008 176.403 176.870 -0.764 0.000 1.096 94 L CA 1.299 55.862 54.840 -0.461 0.000 0.779 94 L CB 0.289 42.055 42.059 -0.488 0.000 0.922 94 L HN 0.020 nan 8.230 nan 0.000 0.443 95 F N 0.174 120.009 119.950 -0.192 0.000 2.769 95 F HA 0.381 4.907 4.527 -0.000 0.000 0.358 95 F C -1.635 174.172 175.800 0.013 0.000 1.285 95 F CA -1.868 56.068 58.000 -0.107 0.000 1.199 95 F CB 0.508 39.403 39.000 -0.175 0.000 1.558 95 F HN -0.100 nan 8.300 nan 0.000 0.583 96 P HA -0.167 nan 4.420 nan 0.000 0.222 96 P C 0.701 178.086 177.300 0.143 0.000 1.147 96 P CA 1.446 64.647 63.100 0.168 0.000 0.790 96 P CB 0.235 31.981 31.700 0.077 0.000 0.780 97 D N -0.650 119.846 120.400 0.160 0.000 2.349 97 D HA -0.116 4.523 4.640 -0.000 0.000 0.224 97 D C 1.977 178.343 176.300 0.111 0.000 1.029 97 D CA -0.093 53.966 54.000 0.098 0.000 0.879 97 D CB -1.284 39.602 40.800 0.143 0.000 0.906 97 D HN 0.406 nan 8.370 nan 0.000 0.528 98 W N 2.203 123.560 121.300 0.094 0.000 2.321 98 W HA -0.218 4.442 4.660 -0.000 0.000 0.306 98 W C 1.495 178.009 176.519 -0.008 0.000 1.217 98 W CA 0.746 58.109 57.345 0.030 0.000 1.257 98 W CB -0.886 28.525 29.460 -0.081 0.000 1.145 98 W HN -0.103 nan 8.180 nan 0.000 0.509 99 K N 0.930 120.828 120.400 -0.836 0.000 2.001 99 K HA -0.221 4.099 4.320 -0.000 0.000 0.214 99 K C 1.946 178.398 176.600 -0.247 0.000 1.050 99 K CA 2.330 58.145 56.287 -0.786 0.000 0.934 99 K CB -0.509 31.392 32.500 -0.999 0.000 0.718 99 K HN -0.105 nan 8.250 nan 0.000 0.443 100 E N 0.249 120.347 120.200 -0.170 0.000 2.358 100 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 100 E C 1.323 177.952 176.600 0.049 0.000 1.010 100 E CA 0.624 56.993 56.400 -0.050 0.000 0.856 100 E CB 0.135 29.805 29.700 -0.050 0.000 0.795 100 E HN 0.293 nan 8.360 nan 0.000 0.504 101 K N -0.478 120.000 120.400 0.130 0.000 2.459 101 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 101 K C 0.808 177.666 176.600 0.430 0.000 1.030 101 K CA 0.607 57.054 56.287 0.267 0.000 1.026 101 K CB 0.462 33.188 32.500 0.376 0.000 0.809 101 K HN 0.202 nan 8.250 nan 0.000 0.504 102 G N 1.187 110.159 108.800 0.287 0.000 2.157 102 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.239 102 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.239 102 G C 0.228 175.116 174.900 -0.021 0.000 0.982 102 G CA 0.065 45.314 45.100 0.248 0.000 0.650 102 G HN 0.441 nan 8.290 nan 0.000 0.527 103 A N 1.025 123.544 122.820 -0.501 0.000 2.565 103 A HA 0.514 4.834 4.320 -0.000 0.000 0.237 103 A C -0.624 176.658 177.584 -0.503 0.000 1.053 103 A CA 0.126 51.363 52.037 -1.333 0.000 0.755 103 A CB 0.219 18.538 19.000 -1.135 0.000 0.980 103 A HN 0.319 nan 8.150 nan 0.000 0.506 104 P HA 0.161 nan 4.420 nan 0.000 0.225 104 P C -0.905 176.233 177.300 -0.270 0.000 1.768 104 P CA 0.097 63.062 63.100 -0.225 0.000 0.943 104 P CB -0.235 31.401 31.700 -0.107 0.000 1.936 105 L N 2.324 123.341 121.223 -0.343 0.000 2.589 105 L HA 0.277 4.616 4.340 -0.000 0.000 0.244 105 L C 1.232 178.017 176.870 -0.141 0.000 1.159 105 L CA 0.256 54.772 54.840 -0.541 0.000 1.074 105 L CB -0.059 41.129 42.059 -1.452 0.000 1.391 105 L HN 0.006 nan 8.230 nan 0.000 0.423 106 N N -0.437 118.276 118.700 0.023 0.000 2.299 106 N HA 0.088 4.828 4.740 -0.000 0.000 0.187 106 N C -0.065 175.560 175.510 0.191 0.000 1.099 106 N CA 0.134 53.265 53.050 0.134 0.000 0.867 106 N CB 0.716 39.268 38.487 0.108 0.000 0.974 106 N HN 0.309 nan 8.380 nan 0.000 0.477 107 T N 3.161 117.845 114.554 0.218 0.000 3.253 107 T HA 0.259 4.608 4.350 -0.000 0.000 0.391 107 T C -2.765 172.027 174.700 0.154 0.000 1.527 107 T CA -1.374 60.833 62.100 0.179 0.000 1.268 107 T CB 1.906 70.861 68.868 0.144 0.000 1.126 107 T HN 0.021 nan 8.240 nan 0.000 0.620 108 P HA 0.181 nan 4.420 nan 0.000 0.276 108 P C 0.067 177.262 177.300 -0.174 0.000 1.235 108 P CA -0.353 62.614 63.100 -0.221 0.000 0.772 108 P CB 0.764 32.320 31.700 -0.240 0.000 0.871 109 V N 4.034 123.811 119.914 -0.227 0.000 2.493 109 V HA -0.009 4.111 4.120 -0.000 0.000 0.292 109 V C 1.877 177.892 176.094 -0.131 0.000 1.016 109 V CA 1.125 63.328 62.300 -0.161 0.000 1.097 109 V CB -0.312 31.406 31.823 -0.174 0.000 0.947 109 V HN 0.743 nan 8.190 nan 0.000 0.479 110 T N 0.647 115.145 114.554 -0.093 0.000 2.990 110 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 110 T C 0.352 175.024 174.700 -0.046 0.000 1.041 110 T CA 0.119 62.177 62.100 -0.069 0.000 1.010 110 T CB 0.363 69.183 68.868 -0.080 0.000 1.003 110 T HN 0.692 nan 8.240 nan 0.000 0.499 111 E N 0.576 120.748 120.200 -0.047 0.000 2.291 111 E HA 0.335 4.685 4.350 -0.000 0.000 0.276 111 E C -2.114 174.487 176.600 0.001 0.000 0.896 111 E CA -0.692 55.693 56.400 -0.025 0.000 0.774 111 E CB 1.496 31.168 29.700 -0.048 0.000 1.227 111 E HN -0.014 nan 8.360 nan 0.000 0.413 112 D N 3.959 124.377 120.400 0.030 0.000 2.344 112 D HA 0.381 5.021 4.640 -0.000 0.000 0.239 112 D C -0.646 175.719 176.300 0.108 0.000 1.064 112 D CA -0.365 53.679 54.000 0.073 0.000 0.829 112 D CB 1.264 42.107 40.800 0.071 0.000 1.129 112 D HN 0.330 nan 8.370 nan 0.000 0.506 113 R N 1.738 122.332 120.500 0.157 0.000 2.750 113 R HA 0.652 4.992 4.340 -0.000 0.000 0.281 113 R C -1.066 175.422 176.300 0.313 0.000 0.972 113 R CA -0.946 55.263 56.100 0.181 0.000 0.912 113 R CB 2.409 32.783 30.300 0.124 0.000 1.187 113 R HN 0.311 nan 8.270 nan 0.000 0.464 114 F N -0.007 120.005 119.950 0.104 0.000 2.596 114 F HA 0.645 5.171 4.527 -0.000 0.000 0.311 114 F C -0.948 174.909 175.800 0.094 0.000 1.116 114 F CA -0.316 57.758 58.000 0.124 0.000 0.957 114 F CB 2.466 41.528 39.000 0.103 0.000 1.250 114 F HN 0.618 nan 8.300 nan 0.000 0.444 115 G N 5.123 113.613 108.800 -0.517 0.000 2.690 115 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 115 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 115 G C -1.987 172.662 174.900 -0.418 0.000 1.399 115 G CA -0.805 44.107 45.100 -0.314 0.000 0.890 115 G HN 0.672 nan 8.290 nan 0.000 0.485 116 I N 1.298 121.770 120.570 -0.163 0.000 2.354 116 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 116 I C -0.166 175.981 176.117 0.049 0.000 0.989 116 I CA -0.538 60.740 61.300 -0.038 0.000 1.188 116 I CB 1.575 39.636 38.000 0.102 0.000 1.342 116 I HN 0.075 nan 8.210 nan 0.000 0.457 117 L N 5.753 127.036 121.223 0.100 0.000 2.343 117 L HA 0.589 4.928 4.340 -0.000 0.000 0.275 117 L C 0.462 177.525 176.870 0.321 0.000 1.056 117 L CA -0.468 54.466 54.840 0.156 0.000 0.804 117 L CB 1.778 43.876 42.059 0.065 0.000 1.203 117 L HN 0.631 nan 8.230 nan 0.000 0.440 118 T N -3.256 111.495 114.554 0.328 0.000 2.910 118 T HA 0.215 4.565 4.350 -0.000 0.000 0.287 118 T C 0.688 175.380 174.700 -0.014 0.000 1.050 118 T CA -0.713 61.540 62.100 0.254 0.000 1.011 118 T CB 1.917 70.913 68.868 0.212 0.000 1.195 118 T HN 0.705 nan 8.240 nan 0.000 0.540 119 E N 0.305 120.296 120.200 -0.349 0.000 2.085 119 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 119 E C 1.620 177.682 176.600 -0.898 0.000 0.994 119 E CA 1.386 57.133 56.400 -1.088 0.000 0.801 119 E CB 0.008 29.353 29.700 -0.591 0.000 0.743 119 E HN 0.631 nan 8.360 nan 0.000 0.453 120 K N -1.481 118.561 120.400 -0.598 0.000 2.276 120 K HA 0.086 4.405 4.320 -0.000 0.000 0.198 120 K C -0.088 175.944 176.600 -0.946 0.000 1.052 120 K CA 0.436 56.200 56.287 -0.872 0.000 0.984 120 K CB 0.428 32.318 32.500 -1.017 0.000 0.836 120 K HN 0.049 nan 8.250 nan 0.000 0.490 121 Y N -0.528 119.712 120.300 -0.101 0.000 2.753 121 Y HA 0.503 5.052 4.550 -0.000 0.000 0.324 121 Y C -0.391 175.629 175.900 0.200 0.000 1.147 121 Y CA -1.439 56.681 58.100 0.034 0.000 1.173 121 Y CB 1.001 39.460 38.460 -0.000 0.000 1.361 121 Y HN -0.352 nan 8.280 nan 0.000 0.545 122 R N 1.077 121.765 120.500 0.312 0.000 2.532 122 R HA 0.601 4.940 4.340 -0.000 0.000 0.297 122 R C -1.956 174.407 176.300 0.105 0.000 0.984 122 R CA -0.502 55.688 56.100 0.151 0.000 0.884 122 R CB 1.011 31.362 30.300 0.086 0.000 1.182 122 R HN 0.759 nan 8.270 nan 0.000 0.442 123 I N 6.915 127.524 120.570 0.066 0.000 2.312 123 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 123 I C -1.859 174.274 176.117 0.027 0.000 1.008 123 I CA -2.165 59.159 61.300 0.040 0.000 1.226 123 I CB 1.685 39.709 38.000 0.040 0.000 1.371 123 I HN 0.360 nan 8.210 nan 0.000 0.468 124 P HA 0.157 nan 4.420 nan 0.000 0.275 124 P C -0.757 176.581 177.300 0.063 0.000 1.228 124 P CA -0.189 62.935 63.100 0.041 0.000 0.786 124 P CB 1.714 33.436 31.700 0.038 0.000 0.927 125 V N 4.969 124.952 119.914 0.115 0.000 2.448 125 V HA 0.280 4.399 4.120 -0.000 0.000 0.295 125 V C -2.047 174.116 176.094 0.116 0.000 1.025 125 V CA -1.955 60.439 62.300 0.158 0.000 0.859 125 V CB 1.454 33.493 31.823 0.360 0.000 0.988 125 V HN 0.553 nan 8.190 nan 0.000 0.431 126 P HA 0.233 nan 4.420 nan 0.000 0.266 126 P C -0.576 176.689 177.300 -0.058 0.000 1.215 126 P CA 0.260 63.346 63.100 -0.024 0.000 0.763 126 P CB 0.403 32.059 31.700 -0.075 0.000 0.806 127 I N 4.522 125.075 120.570 -0.028 0.000 2.306 127 I HA 0.137 4.307 4.170 -0.000 0.000 0.288 127 I C 0.291 176.374 176.117 -0.057 0.000 1.036 127 I CA -0.806 60.464 61.300 -0.050 0.000 1.221 127 I CB 0.646 38.647 38.000 0.001 0.000 1.385 127 I HN 0.086 nan 8.210 nan 0.000 0.472 128 L N 9.604 130.768 121.223 -0.099 0.000 2.416 128 L HA 0.424 4.764 4.340 -0.000 0.000 0.262 128 L C -1.089 175.801 176.870 0.034 0.000 1.093 128 L CA -2.041 52.780 54.840 -0.032 0.000 0.801 128 L CB 0.101 42.131 42.059 -0.047 0.000 1.191 128 L HN 0.315 nan 8.230 nan 0.000 0.459 129 P HA -0.051 nan 4.420 nan 0.000 0.226 129 P C 0.994 178.367 177.300 0.122 0.000 1.153 129 P CA 0.924 64.062 63.100 0.062 0.000 0.777 129 P CB 0.359 32.072 31.700 0.022 0.000 0.794 130 G N -0.468 108.468 108.800 0.227 0.000 2.777 130 G HA2 0.117 4.077 3.960 -0.000 0.000 0.211 130 G HA3 0.117 4.077 3.960 -0.000 0.000 0.211 130 G C 0.719 175.863 174.900 0.407 0.000 1.149 130 G CA -0.070 45.219 45.100 0.314 0.000 0.785 130 G HN 0.202 nan 8.290 nan 0.000 0.536 131 L N 0.496 121.888 121.223 0.282 0.000 2.416 131 L HA 0.294 4.634 4.340 -0.000 0.000 0.262 131 L C -0.900 176.052 176.870 0.138 0.000 1.093 131 L CA -1.951 53.026 54.840 0.227 0.000 0.801 131 L CB 1.784 43.843 42.059 0.001 0.000 1.191 131 L HN -0.119 nan 8.230 nan 0.000 0.459 132 P HA -0.072 nan 4.420 nan 0.000 0.236 132 P C 0.653 177.881 177.300 -0.120 0.000 1.177 132 P CA 0.806 63.843 63.100 -0.104 0.000 0.773 132 P CB 0.290 31.797 31.700 -0.322 0.000 0.878 133 M N -1.441 118.065 119.600 -0.157 0.000 2.608 133 M HA 0.204 4.684 4.480 -0.000 0.000 0.224 133 M C -0.041 176.216 176.300 -0.073 0.000 1.204 133 M CA -0.253 54.943 55.300 -0.173 0.000 0.984 133 M CB -1.882 30.532 32.600 -0.310 0.000 1.691 133 M HN -0.198 nan 8.290 nan 0.000 0.469 134 N N 1.867 120.544 118.700 -0.039 0.000 2.419 134 N HA 0.174 4.914 4.740 -0.000 0.000 0.264 134 N C -0.267 175.240 175.510 -0.005 0.000 1.031 134 N CA -0.106 52.944 53.050 -0.000 0.000 0.951 134 N CB 0.677 39.180 38.487 0.026 0.000 1.101 134 N HN 0.101 nan 8.380 nan 0.000 0.488 135 N N 1.597 120.294 118.700 -0.004 0.000 2.321 135 N HA -0.038 4.701 4.740 -0.000 0.000 0.242 135 N C -0.778 174.699 175.510 -0.054 0.000 1.141 135 N CA -0.159 52.862 53.050 -0.049 0.000 0.864 135 N CB -0.202 38.235 38.487 -0.082 0.000 1.100 135 N HN 0.649 nan 8.380 nan 0.000 0.510 136 H N 0.154 119.174 119.070 -0.083 0.000 3.004 136 H HA 0.221 4.777 4.556 -0.000 0.000 0.316 136 H C 1.442 176.702 175.328 -0.113 0.000 1.014 136 H CA 1.816 57.810 56.048 -0.090 0.000 1.454 136 H CB 0.216 29.942 29.762 -0.060 0.000 1.472 136 H HN 0.472 nan 8.280 nan 0.000 0.571 137 G N 3.673 112.091 108.800 -0.637 0.000 2.176 137 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.253 137 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.253 137 G C 0.004 174.667 174.900 -0.395 0.000 0.979 137 G CA 0.114 44.932 45.100 -0.471 0.000 0.641 137 G HN 0.708 nan 8.290 nan 0.000 0.530 138 N N -0.525 117.949 118.700 -0.377 0.000 2.485 138 N HA 0.708 5.448 4.740 -0.000 0.000 0.280 138 N C -0.743 174.494 175.510 -0.454 0.000 1.205 138 N CA -0.222 52.630 53.050 -0.330 0.000 0.959 138 N CB 0.802 39.162 38.487 -0.211 0.000 1.206 138 N HN 0.172 nan 8.380 nan 0.000 0.545 139 Y N -0.769 119.425 120.300 -0.176 0.000 2.468 139 Y HA 0.430 4.980 4.550 -0.000 0.000 0.342 139 Y C 0.119 175.917 175.900 -0.171 0.000 1.021 139 Y CA -0.950 57.051 58.100 -0.166 0.000 1.079 139 Y CB 1.408 39.746 38.460 -0.205 0.000 1.226 139 Y HN 0.027 nan 8.280 nan 0.000 0.460 140 V N 4.262 124.202 119.914 0.043 0.000 2.407 140 V HA 0.614 4.734 4.120 -0.000 0.000 0.278 140 V C -0.316 175.802 176.094 0.041 0.000 1.037 140 V CA -0.581 61.716 62.300 -0.005 0.000 0.900 140 V CB 0.944 32.783 31.823 0.028 0.000 0.983 140 V HN 0.619 nan 8.190 nan 0.000 0.459 141 V N 2.939 122.863 119.914 0.016 0.000 3.159 141 V HA 0.663 4.783 4.120 -0.000 0.000 0.308 141 V C -0.592 175.506 176.094 0.006 0.000 1.190 141 V CA -1.345 60.946 62.300 -0.015 0.000 1.037 141 V CB 2.436 34.183 31.823 -0.128 0.000 1.060 141 V HN 0.739 nan 8.190 nan 0.000 0.437 142 R N 1.859 122.354 120.500 -0.008 0.000 2.391 142 R HA 0.363 4.703 4.340 -0.000 0.000 0.310 142 R C 0.722 176.975 176.300 -0.078 0.000 1.174 142 R CA -0.571 55.494 56.100 -0.059 0.000 1.118 142 R CB 0.983 31.203 30.300 -0.133 0.000 1.134 142 R HN 0.783 nan 8.270 nan 0.000 0.524 143 L N 2.762 123.951 121.223 -0.056 0.000 2.089 143 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 143 L C 2.119 178.985 176.870 -0.006 0.000 1.079 143 L CA 2.213 57.031 54.840 -0.036 0.000 0.758 143 L CB -0.585 41.464 42.059 -0.016 0.000 0.891 143 L HN 0.779 nan 8.230 nan 0.000 0.433 144 G N -2.083 106.695 108.800 -0.036 0.000 2.440 144 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 144 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 144 G C 1.425 176.377 174.900 0.087 0.000 1.154 144 G CA 1.192 46.298 45.100 0.011 0.000 0.767 144 G HN 0.630 nan 8.290 nan 0.000 0.552 145 H N -1.055 118.044 119.070 0.049 0.000 2.395 145 H HA 0.075 4.631 4.556 -0.000 0.000 0.299 145 H C 2.397 177.759 175.328 0.058 0.000 1.070 145 H CA 0.524 56.602 56.048 0.050 0.000 1.356 145 H CB 0.141 29.924 29.762 0.035 0.000 1.401 145 H HN 0.282 nan 8.280 nan 0.000 0.524 146 L N 0.613 121.902 121.223 0.111 0.000 2.093 146 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 146 L C 2.094 179.066 176.870 0.171 0.000 1.085 146 L CA 1.060 55.919 54.840 0.032 0.000 0.755 146 L CB -0.354 41.607 42.059 -0.163 0.000 0.904 146 L HN 0.048 nan 8.230 nan 0.000 0.435 147 V N -1.194 118.804 119.914 0.141 0.000 2.295 147 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 147 V C 2.749 178.940 176.094 0.163 0.000 1.049 147 V CA 1.850 64.245 62.300 0.159 0.000 1.024 147 V CB -0.625 31.272 31.823 0.123 0.000 0.648 147 V HN 0.635 nan 8.190 nan 0.000 0.447 148 S N -1.469 114.321 115.700 0.149 0.000 2.370 148 S HA -0.298 4.172 4.470 -0.000 0.000 0.226 148 S C 1.678 176.348 174.600 0.117 0.000 1.033 148 S CA 2.169 60.425 58.200 0.093 0.000 1.011 148 S CB -0.515 62.733 63.200 0.080 0.000 0.852 148 S HN 0.726 nan 8.310 nan 0.000 0.457 149 W N 1.461 122.756 121.300 -0.009 0.000 2.358 149 W HA -0.073 4.587 4.660 -0.000 0.000 0.303 149 W C 2.187 178.679 176.519 -0.045 0.000 1.208 149 W CA 1.669 58.993 57.345 -0.034 0.000 1.274 149 W CB -0.282 29.159 29.460 -0.033 0.000 1.138 149 W HN 0.269 nan 8.180 nan 0.000 0.515 150 M N 0.122 119.913 119.600 0.318 0.000 2.117 150 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 150 M C 2.325 178.618 176.300 -0.011 0.000 1.065 150 M CA 1.887 57.291 55.300 0.172 0.000 1.114 150 M CB -1.227 31.595 32.600 0.371 0.000 1.361 150 M HN 0.239 nan 8.290 nan 0.000 0.408 151 G N -0.372 108.432 108.800 0.007 0.000 2.448 151 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 151 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 151 G C 1.354 176.185 174.900 -0.115 0.000 1.127 151 G CA 0.753 45.831 45.100 -0.036 0.000 0.766 151 G HN 0.473 nan 8.290 nan 0.000 0.552 152 E N -0.399 119.682 120.200 -0.198 0.000 2.072 152 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 152 E C 2.742 179.151 176.600 -0.318 0.000 0.982 152 E CA 0.677 56.920 56.400 -0.260 0.000 0.803 152 E CB 0.090 29.593 29.700 -0.327 0.000 0.755 152 E HN 0.275 nan 8.360 nan 0.000 0.453 153 Q N -0.039 119.480 119.800 -0.469 0.000 2.083 153 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 153 Q C 2.207 178.125 176.000 -0.136 0.000 0.969 153 Q CA 1.269 56.839 55.803 -0.388 0.000 0.838 153 Q CB -0.519 27.871 28.738 -0.581 0.000 0.900 153 Q HN 0.244 nan 8.270 nan 0.000 0.436 154 A N 1.701 124.475 122.820 -0.076 0.000 1.873 154 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 154 A C 2.067 179.611 177.584 -0.066 0.000 1.193 154 A CA 1.849 53.869 52.037 -0.028 0.000 0.629 154 A CB -0.610 18.385 19.000 -0.009 0.000 0.826 154 A HN 0.428 nan 8.150 nan 0.000 0.447 155 E N -0.539 119.604 120.200 -0.095 0.000 2.058 155 E HA -0.151 4.198 4.350 -0.000 0.000 0.194 155 E C 2.335 178.884 176.600 -0.085 0.000 0.997 155 E CA 0.983 57.324 56.400 -0.099 0.000 0.801 155 E CB -0.332 29.305 29.700 -0.106 0.000 0.746 155 E HN 0.624 nan 8.360 nan 0.000 0.450 156 A N 0.888 123.650 122.820 -0.096 0.000 1.986 156 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 156 A C 1.947 179.496 177.584 -0.059 0.000 1.171 156 A CA 1.125 53.113 52.037 -0.082 0.000 0.640 156 A CB -0.277 18.661 19.000 -0.104 0.000 0.811 156 A HN 0.118 nan 8.150 nan 0.000 0.451 157 L N -1.558 119.633 121.223 -0.053 0.000 2.599 157 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 157 L C 1.780 178.627 176.870 -0.038 0.000 1.141 157 L CA 1.214 56.031 54.840 -0.039 0.000 0.877 157 L CB -0.642 41.398 42.059 -0.030 0.000 1.009 157 L HN 0.680 nan 8.230 nan 0.000 0.447 158 G N -1.628 107.144 108.800 -0.046 0.000 2.179 158 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 158 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 158 G C 0.318 175.187 174.900 -0.051 0.000 0.990 158 G CA 0.053 45.128 45.100 -0.041 0.000 0.646 158 G HN 0.076 nan 8.290 nan 0.000 0.517 159 V N 0.869 120.746 119.914 -0.063 0.000 2.740 159 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 159 V C 0.803 176.816 176.094 -0.135 0.000 1.054 159 V CA 0.275 62.528 62.300 -0.078 0.000 1.106 159 V CB 1.450 33.230 31.823 -0.072 0.000 0.957 159 V HN 0.384 nan 8.190 nan 0.000 0.486 160 E N 2.889 122.986 120.200 -0.172 0.000 2.001 160 E HA 0.326 4.676 4.350 -0.000 0.000 0.279 160 E C -0.932 175.289 176.600 -0.633 0.000 1.045 160 E CA -0.299 55.889 56.400 -0.354 0.000 0.833 160 E CB 1.316 30.895 29.700 -0.202 0.000 1.077 160 E HN 0.498 nan 8.360 nan 0.000 0.397 161 V N 4.385 123.936 119.914 -0.605 0.000 2.432 161 V HA 0.130 4.250 4.120 -0.000 0.000 0.275 161 V C -0.499 175.189 176.094 -0.678 0.000 1.043 161 V CA -0.319 61.689 62.300 -0.487 0.000 0.925 161 V CB 0.321 32.010 31.823 -0.223 0.000 0.985 161 V HN 0.639 nan 8.190 nan 0.000 0.466 162 Y N 6.099 126.400 120.300 0.003 0.000 2.747 162 Y HA 0.325 4.875 4.550 -0.000 0.000 0.362 162 Y C -2.097 173.916 175.900 0.189 0.000 1.026 162 Y CA -2.352 55.772 58.100 0.040 0.000 1.135 162 Y CB 1.221 39.573 38.460 -0.179 0.000 1.175 162 Y HN 0.510 nan 8.280 nan 0.000 0.643 163 P HA 0.124 nan 4.420 nan 0.000 0.274 163 P C 0.918 178.371 177.300 0.254 0.000 1.237 163 P CA 0.782 64.005 63.100 0.205 0.000 0.793 163 P CB 1.602 33.382 31.700 0.133 0.000 0.977 164 G N 0.028 108.897 108.800 0.116 0.000 2.179 164 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 164 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 164 G C -0.523 174.311 174.900 -0.110 0.000 0.977 164 G CA -0.063 45.030 45.100 -0.011 0.000 0.641 164 G HN 0.503 nan 8.290 nan 0.000 0.533 165 Y N 1.099 121.446 120.300 0.080 0.000 2.356 165 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 165 Y C 0.556 176.517 175.900 0.101 0.000 0.958 165 Y CA -0.336 57.810 58.100 0.078 0.000 1.196 165 Y CB 1.769 40.273 38.460 0.074 0.000 1.137 165 Y HN 0.465 nan 8.280 nan 0.000 0.485 166 A N 2.616 125.563 122.820 0.211 0.000 2.301 166 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 166 A C -0.053 177.673 177.584 0.237 0.000 1.185 166 A CA -0.602 51.570 52.037 0.225 0.000 0.830 166 A CB 0.156 19.277 19.000 0.201 0.000 1.112 166 A HN 0.835 nan 8.150 nan 0.000 0.508 167 A N 2.168 125.137 122.820 0.249 0.000 2.438 167 A HA 0.506 4.826 4.320 -0.000 0.000 0.280 167 A C 1.047 178.813 177.584 0.303 0.000 1.160 167 A CA 0.338 52.513 52.037 0.229 0.000 0.821 167 A CB -0.258 18.861 19.000 0.199 0.000 1.101 167 A HN 1.806 nan 8.150 nan 0.000 0.515 168 A N 2.324 125.305 122.820 0.269 0.000 2.288 168 A HA 0.423 4.742 4.320 -0.000 0.000 0.216 168 A C 0.557 178.320 177.584 0.298 0.000 1.199 168 A CA 0.543 52.781 52.037 0.334 0.000 0.891 168 A CB 0.200 19.388 19.000 0.313 0.000 0.923 168 A HN 0.802 nan 8.150 nan 0.000 0.500 169 E N 0.115 120.436 120.200 0.201 0.000 2.343 169 E HA 0.445 4.795 4.350 -0.000 0.000 0.286 169 E C -1.578 175.079 176.600 0.095 0.000 0.915 169 E CA -0.616 55.877 56.400 0.155 0.000 0.784 169 E CB 1.333 31.120 29.700 0.145 0.000 1.251 169 E HN 0.284 nan 8.360 nan 0.000 0.407 170 I N 4.631 125.236 120.570 0.059 0.000 2.529 170 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 170 I C 0.053 176.035 176.117 -0.226 0.000 1.082 170 I CA -0.366 60.882 61.300 -0.087 0.000 1.406 170 I CB 0.476 38.357 38.000 -0.198 0.000 1.405 170 I HN 0.364 nan 8.210 nan 0.000 0.548 171 L N 6.319 127.345 121.223 -0.329 0.000 2.307 171 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 171 L C -0.818 175.722 176.870 -0.551 0.000 1.051 171 L CA -0.355 54.311 54.840 -0.291 0.000 0.804 171 L CB 0.887 42.825 42.059 -0.203 0.000 1.197 171 L HN 0.406 nan 8.230 nan 0.000 0.431 172 F N 0.654 120.565 119.950 -0.065 0.000 2.532 172 F HA 0.455 4.982 4.527 -0.000 0.000 0.321 172 F C 0.580 176.334 175.800 -0.077 0.000 1.089 172 F CA -0.799 57.176 58.000 -0.042 0.000 0.926 172 F CB 1.238 40.248 39.000 0.016 0.000 1.168 172 F HN 0.370 nan 8.300 nan 0.000 0.459 173 H N 0.797 119.988 119.070 0.200 0.000 2.603 173 H HA 0.091 4.646 4.556 -0.000 0.000 0.370 173 H C 0.769 176.169 175.328 0.120 0.000 1.225 173 H CA 0.106 56.218 56.048 0.105 0.000 1.410 173 H CB 1.173 30.985 29.762 0.083 0.000 1.495 173 H HN 0.725 nan 8.280 nan 0.000 0.602 174 E N 0.334 120.669 120.200 0.226 0.000 2.268 174 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 174 E C 0.809 177.475 176.600 0.110 0.000 0.995 174 E CA 1.146 57.623 56.400 0.129 0.000 0.836 174 E CB 0.107 29.858 29.700 0.085 0.000 0.763 174 E HN 0.598 nan 8.360 nan 0.000 0.491 175 D N -1.698 118.779 120.400 0.129 0.000 2.378 175 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 175 D C 1.340 177.719 176.300 0.132 0.000 1.012 175 D CA 0.864 54.924 54.000 0.101 0.000 0.905 175 D CB 0.034 40.880 40.800 0.076 0.000 0.895 175 D HN 0.244 nan 8.370 nan 0.000 0.532 176 G N -0.262 108.646 108.800 0.180 0.000 2.213 176 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.226 176 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.226 176 G C 0.450 175.592 174.900 0.402 0.000 0.992 176 G CA 0.263 45.474 45.100 0.184 0.000 0.632 176 G HN 0.821 nan 8.290 nan 0.000 0.511 177 S N -0.196 115.754 115.700 0.417 0.000 2.632 177 S HA 0.682 5.152 4.470 -0.000 0.000 0.267 177 S C 0.485 175.367 174.600 0.471 0.000 1.276 177 S CA -0.169 58.316 58.200 0.476 0.000 0.998 177 S CB 2.173 65.556 63.200 0.306 0.000 0.953 177 S HN 1.056 nan 8.310 nan 0.000 0.547 178 V N 2.836 122.970 119.914 0.367 0.000 2.529 178 V HA 0.129 4.248 4.120 -0.000 0.000 0.292 178 V C 1.560 177.611 176.094 -0.073 0.000 1.028 178 V CA 0.100 62.434 62.300 0.057 0.000 1.074 178 V CB 0.611 32.541 31.823 0.178 0.000 0.958 178 V HN 1.059 nan 8.190 nan 0.000 0.481 179 K N 2.961 123.141 120.400 -0.366 0.000 2.202 179 K HA 0.296 4.616 4.320 -0.000 0.000 0.201 179 K C 0.838 177.264 176.600 -0.290 0.000 1.051 179 K CA 1.134 57.039 56.287 -0.638 0.000 0.977 179 K CB 0.491 32.391 32.500 -1.001 0.000 0.792 179 K HN 0.921 nan 8.250 nan 0.000 0.469 180 G N 0.463 109.136 108.800 -0.212 0.000 2.512 180 G HA2 0.247 4.207 3.960 -0.000 0.000 0.181 180 G HA3 0.247 4.207 3.960 -0.000 0.000 0.181 180 G C -1.641 173.229 174.900 -0.050 0.000 1.173 180 G CA -0.235 44.818 45.100 -0.078 0.000 0.988 180 G HN 0.238 nan 8.290 nan 0.000 0.485 181 I N -2.285 118.289 120.570 0.006 0.000 3.191 181 I HA 0.980 5.150 4.170 -0.000 0.000 0.313 181 I C -0.228 175.923 176.117 0.058 0.000 1.193 181 I CA -1.245 60.075 61.300 0.034 0.000 0.968 181 I CB 1.879 39.909 38.000 0.050 0.000 1.262 181 I HN 1.476 nan 8.210 nan 0.000 0.456 182 A N 1.309 124.172 122.820 0.072 0.000 2.365 182 A HA 0.840 5.159 4.320 -0.000 0.000 0.318 182 A C 0.012 177.653 177.584 0.095 0.000 1.091 182 A CA -0.109 51.968 52.037 0.067 0.000 0.763 182 A CB 0.887 19.921 19.000 0.056 0.000 1.248 182 A HN 1.063 nan 8.150 nan 0.000 0.442 183 T N 0.418 115.028 114.554 0.093 0.000 2.754 183 T HA 0.275 4.625 4.350 -0.000 0.000 0.286 183 T C 0.409 175.182 174.700 0.123 0.000 0.997 183 T CA -0.508 61.682 62.100 0.150 0.000 0.982 183 T CB 0.149 69.163 68.868 0.245 0.000 1.027 183 T HN 0.821 nan 8.240 nan 0.000 0.529 184 N N 1.290 120.070 118.700 0.133 0.000 2.479 184 N HA 0.042 4.782 4.740 -0.000 0.000 0.257 184 N C -0.786 174.745 175.510 0.036 0.000 1.232 184 N CA -0.418 52.704 53.050 0.121 0.000 0.920 184 N CB 0.367 38.930 38.487 0.127 0.000 1.105 184 N HN 0.581 nan 8.380 nan 0.000 0.444 185 D N 0.062 120.472 120.400 0.016 0.000 2.414 185 D HA 0.364 5.003 4.640 -0.000 0.000 0.251 185 D C -0.324 175.932 176.300 -0.074 0.000 1.252 185 D CA -0.214 53.720 54.000 -0.110 0.000 0.999 185 D CB 1.311 42.042 40.800 -0.116 0.000 1.093 185 D HN 0.266 nan 8.370 nan 0.000 0.515 186 V N -1.364 118.432 119.914 -0.196 0.000 3.087 186 V HA 0.566 4.686 4.120 -0.000 0.000 0.306 186 V C -0.412 175.643 176.094 -0.066 0.000 1.187 186 V CA 0.197 62.442 62.300 -0.093 0.000 0.999 186 V CB 1.750 33.506 31.823 -0.112 0.000 1.049 186 V HN 0.777 nan 8.190 nan 0.000 0.431 187 G N 5.364 114.199 108.800 0.058 0.000 2.470 187 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.286 187 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.286 187 G C -0.780 174.291 174.900 0.285 0.000 1.115 187 G CA 0.352 45.527 45.100 0.125 0.000 1.122 187 G HN 0.909 nan 8.290 nan 0.000 0.522 188 I N 0.738 121.463 120.570 0.260 0.000 2.533 188 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 188 I C 0.694 176.913 176.117 0.171 0.000 1.056 188 I CA -1.106 60.368 61.300 0.290 0.000 1.057 188 I CB 1.849 40.082 38.000 0.389 0.000 1.240 188 I HN 0.527 nan 8.210 nan 0.000 0.423 189 Q N 5.256 125.128 119.800 0.119 0.000 2.382 189 Q HA 0.256 4.595 4.340 -0.000 0.000 0.229 189 Q C 0.648 176.694 176.000 0.078 0.000 1.006 189 Q CA -0.716 55.135 55.803 0.080 0.000 0.916 189 Q CB 1.376 30.140 28.738 0.042 0.000 1.235 189 Q HN 0.505 nan 8.270 nan 0.000 0.512 190 K N 0.477 120.912 120.400 0.059 0.000 2.144 190 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 190 K C 1.134 177.754 176.600 0.033 0.000 1.047 190 K CA 2.150 58.463 56.287 0.043 0.000 0.927 190 K CB -0.090 32.427 32.500 0.027 0.000 0.716 190 K HN 0.830 nan 8.250 nan 0.000 0.454 191 D N -1.917 118.500 120.400 0.028 0.000 2.340 191 D HA 0.025 4.665 4.640 -0.000 0.000 0.220 191 D C 1.005 177.327 176.300 0.037 0.000 1.039 191 D CA 0.857 54.865 54.000 0.014 0.000 0.866 191 D CB 0.333 41.130 40.800 -0.005 0.000 0.913 191 D HN 0.373 nan 8.370 nan 0.000 0.523 192 G N -0.542 108.311 108.800 0.089 0.000 2.175 192 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.244 192 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.244 192 G C 0.511 175.589 174.900 0.297 0.000 0.982 192 G CA 0.150 45.358 45.100 0.180 0.000 0.641 192 G HN 0.821 nan 8.290 nan 0.000 0.527 193 A N 1.324 124.214 122.820 0.116 0.000 2.351 193 A HA 0.714 5.034 4.320 -0.000 0.000 0.257 193 A C -1.608 175.871 177.584 -0.175 0.000 1.087 193 A CA -0.712 51.290 52.037 -0.058 0.000 0.798 193 A CB 0.594 19.535 19.000 -0.099 0.000 1.033 193 A HN 0.255 nan 8.150 nan 0.000 0.488 194 P HA 0.300 nan 4.420 nan 0.000 0.284 194 P C -0.889 176.233 177.300 -0.296 0.000 1.253 194 P CA -0.280 62.412 63.100 -0.680 0.000 0.800 194 P CB 1.102 31.847 31.700 -1.592 0.000 0.961 195 K N 0.442 120.798 120.400 -0.073 0.000 2.090 195 K HA 0.236 4.556 4.320 -0.000 0.000 0.249 195 K C 1.686 178.286 176.600 0.000 0.000 0.995 195 K CA -0.324 55.953 56.287 -0.018 0.000 0.914 195 K CB 0.354 32.881 32.500 0.046 0.000 1.057 195 K HN 0.424 nan 8.250 nan 0.000 0.462 196 T N -2.886 111.663 114.554 -0.008 0.000 2.977 196 T HA -0.120 4.229 4.350 -0.000 0.000 0.271 196 T C 1.354 176.075 174.700 0.035 0.000 1.105 196 T CA 1.633 63.733 62.100 0.000 0.000 1.116 196 T CB -0.473 68.390 68.868 -0.008 0.000 0.878 196 T HN 0.714 nan 8.240 nan 0.000 0.509 197 T N -1.298 113.286 114.554 0.049 0.000 3.069 197 T HA 0.320 4.670 4.350 -0.000 0.000 0.252 197 T C 0.283 175.020 174.700 0.061 0.000 1.053 197 T CA -0.840 61.287 62.100 0.044 0.000 0.964 197 T CB -0.803 68.078 68.868 0.022 0.000 1.005 197 T HN 0.362 nan 8.240 nan 0.000 0.532 198 F N 2.929 122.866 119.950 -0.022 0.000 2.623 198 F HA 0.189 4.716 4.527 -0.000 0.000 0.381 198 F C 0.362 176.168 175.800 0.009 0.000 1.081 198 F CA 0.059 58.061 58.000 0.004 0.000 1.293 198 F CB 0.227 39.219 39.000 -0.014 0.000 1.006 198 F HN 0.159 nan 8.300 nan 0.000 0.578 199 E N 5.731 125.326 120.200 -1.009 0.000 2.278 199 E HA 0.228 4.578 4.350 -0.000 0.000 0.272 199 E C -0.791 175.256 176.600 -0.922 0.000 0.890 199 E CA -1.053 54.901 56.400 -0.743 0.000 0.770 199 E CB 1.514 31.012 29.700 -0.338 0.000 1.212 199 E HN 0.571 nan 8.360 nan 0.000 0.415 200 R N 1.069 121.167 120.500 -0.670 0.000 2.594 200 R HA 0.233 4.572 4.340 -0.000 0.000 0.272 200 R C 0.613 176.731 176.300 -0.303 0.000 1.074 200 R CA 0.051 55.899 56.100 -0.421 0.000 1.105 200 R CB 0.853 31.006 30.300 -0.244 0.000 1.008 200 R HN 0.628 nan 8.270 nan 0.000 0.472 201 G N 1.310 109.994 108.800 -0.193 0.000 2.631 201 G HA2 0.142 4.101 3.960 -0.000 0.000 0.271 201 G HA3 0.142 4.101 3.960 -0.000 0.000 0.271 201 G C -0.766 174.072 174.900 -0.103 0.000 1.302 201 G CA -0.494 44.545 45.100 -0.101 0.000 1.002 201 G HN 0.295 nan 8.290 nan 0.000 0.519 202 L N -0.210 120.996 121.223 -0.028 0.000 2.317 202 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 202 L C -0.015 176.835 176.870 -0.034 0.000 1.024 202 L CA -0.764 54.049 54.840 -0.045 0.000 0.810 202 L CB 1.311 43.341 42.059 -0.049 0.000 1.240 202 L HN 0.568 nan 8.230 nan 0.000 0.427 203 E N 5.486 125.658 120.200 -0.047 0.000 2.156 203 E HA 0.386 4.735 4.350 -0.000 0.000 0.279 203 E C -1.133 175.415 176.600 -0.087 0.000 0.965 203 E CA -0.472 55.920 56.400 -0.014 0.000 0.789 203 E CB 1.686 31.407 29.700 0.034 0.000 1.098 203 E HN 0.467 nan 8.360 nan 0.000 0.397 204 L N 4.256 125.486 121.223 0.013 0.000 2.318 204 L HA 0.332 4.672 4.340 -0.000 0.000 0.277 204 L C -0.219 176.744 176.870 0.154 0.000 1.008 204 L CA -0.428 54.411 54.840 -0.003 0.000 0.846 204 L CB 0.672 42.718 42.059 -0.021 0.000 1.220 204 L HN 0.477 nan 8.230 nan 0.000 0.423 205 H N 2.388 121.442 119.070 -0.026 0.000 2.473 205 H HA 0.776 5.332 4.556 -0.000 0.000 0.327 205 H C -0.236 175.086 175.328 -0.010 0.000 1.105 205 H CA -0.783 55.251 56.048 -0.024 0.000 1.280 205 H CB 1.960 31.723 29.762 0.002 0.000 1.450 205 H HN 0.712 nan 8.280 nan 0.000 0.492 206 A N 1.874 124.758 122.820 0.106 0.000 2.602 206 A HA 0.260 4.580 4.320 -0.000 0.000 0.290 206 A C 0.274 177.897 177.584 0.065 0.000 1.114 206 A CA -0.927 51.147 52.037 0.062 0.000 0.683 206 A CB 1.574 20.583 19.000 0.014 0.000 1.281 206 A HN 0.780 nan 8.150 nan 0.000 0.416 207 K N -0.654 119.775 120.400 0.047 0.000 2.155 207 K HA 0.172 4.492 4.320 -0.000 0.000 0.203 207 K C 0.082 176.697 176.600 0.025 0.000 1.052 207 K CA 1.622 57.938 56.287 0.047 0.000 0.948 207 K CB 0.237 32.747 32.500 0.017 0.000 0.728 207 K HN 0.490 nan 8.250 nan 0.000 0.448 208 V N 1.166 121.075 119.914 -0.008 0.000 2.752 208 V HA 0.178 4.298 4.120 -0.000 0.000 0.302 208 V C -1.613 174.435 176.094 -0.077 0.000 1.133 208 V CA -0.591 61.682 62.300 -0.044 0.000 0.919 208 V CB 2.177 33.960 31.823 -0.067 0.000 1.026 208 V HN -0.001 nan 8.190 nan 0.000 0.429 209 T N 8.092 122.588 114.554 -0.097 0.000 2.767 209 T HA 0.597 4.947 4.350 -0.000 0.000 0.284 209 T C -0.144 174.366 174.700 -0.318 0.000 0.973 209 T CA -0.090 61.876 62.100 -0.224 0.000 0.996 209 T CB 0.914 69.623 68.868 -0.265 0.000 0.927 209 T HN 0.534 nan 8.240 nan 0.000 0.456 210 I N 3.577 123.939 120.570 -0.347 0.000 2.331 210 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 210 I C -0.692 175.197 176.117 -0.380 0.000 0.998 210 I CA -0.589 60.559 61.300 -0.252 0.000 1.267 210 I CB 0.777 38.682 38.000 -0.158 0.000 1.386 210 I HN 0.532 nan 8.210 nan 0.000 0.476 211 F N 5.207 125.188 119.950 0.051 0.000 2.361 211 F HA 0.478 5.004 4.527 -0.000 0.000 0.364 211 F C 0.620 176.468 175.800 0.080 0.000 1.120 211 F CA -0.384 57.661 58.000 0.074 0.000 1.102 211 F CB 1.406 40.465 39.000 0.098 0.000 1.183 211 F HN 0.480 nan 8.300 nan 0.000 0.476 212 A N 2.975 125.897 122.820 0.169 0.000 3.129 212 A HA 0.341 4.661 4.320 -0.000 0.000 0.282 212 A C 0.756 178.433 177.584 0.156 0.000 0.948 212 A CA -0.394 51.735 52.037 0.155 0.000 1.027 212 A CB -0.366 18.700 19.000 0.111 0.000 1.123 212 A HN 0.799 nan 8.150 nan 0.000 0.485 213 E N 0.427 120.733 120.200 0.178 0.000 2.482 213 E HA 0.313 4.663 4.350 -0.000 0.000 0.196 213 E C 1.190 177.876 176.600 0.144 0.000 1.047 213 E CA 0.490 56.993 56.400 0.171 0.000 0.869 213 E CB 0.112 29.921 29.700 0.183 0.000 0.836 213 E HN 0.988 nan 8.360 nan 0.000 0.520 214 G N 0.988 109.870 108.800 0.135 0.000 2.725 214 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 214 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 214 G C -0.051 174.921 174.900 0.120 0.000 1.357 214 G CA -0.648 44.525 45.100 0.122 0.000 0.866 214 G HN 0.321 nan 8.290 nan 0.000 0.548 215 C N 0.742 120.116 119.300 0.123 0.000 2.419 215 C HA 0.355 4.815 4.460 -0.000 0.000 0.398 215 C C 1.505 176.645 174.990 0.250 0.000 1.498 215 C CA 1.991 61.117 59.018 0.180 0.000 1.494 215 C CB -2.151 25.691 27.740 0.170 0.000 2.485 215 C HN 2.088 nan 8.230 nan 0.000 0.608 216 H N 2.273 121.462 119.070 0.199 0.000 2.748 216 H HA -0.148 4.407 4.556 -0.000 0.000 0.322 216 H C 0.773 176.136 175.328 0.058 0.000 1.208 216 H CA 1.043 57.177 56.048 0.144 0.000 1.151 216 H CB -1.099 28.661 29.762 -0.003 0.000 1.505 216 H HN 1.096 nan 8.280 nan 0.000 0.429 217 G N 0.574 109.389 108.800 0.024 0.000 2.432 217 G HA2 0.071 4.031 3.960 -0.000 0.000 0.239 217 G HA3 0.071 4.031 3.960 -0.000 0.000 0.239 217 G C 1.121 176.010 174.900 -0.019 0.000 1.291 217 G CA 0.079 45.198 45.100 0.031 0.000 0.863 217 G HN 0.795 nan 8.290 nan 0.000 0.560 218 H N 2.019 121.118 119.070 0.048 0.000 2.462 218 H HA -0.014 4.542 4.556 -0.000 0.000 0.292 218 H C 1.685 177.017 175.328 0.006 0.000 1.049 218 H CA 0.686 56.779 56.048 0.075 0.000 1.334 218 H CB 0.079 30.032 29.762 0.318 0.000 1.404 218 H HN 0.335 nan 8.280 nan 0.000 0.544 219 L N 1.566 122.436 121.223 -0.588 0.000 2.095 219 L HA 0.108 4.448 4.340 -0.000 0.000 0.204 219 L C 3.040 179.656 176.870 -0.423 0.000 1.080 219 L CA 1.612 56.165 54.840 -0.478 0.000 0.759 219 L CB -1.325 40.597 42.059 -0.228 0.000 0.914 219 L HN 0.422 nan 8.230 nan 0.000 0.439 220 A N -0.630 121.944 122.820 -0.410 0.000 1.933 220 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 220 A C 2.406 179.500 177.584 -0.816 0.000 1.175 220 A CA 1.826 53.473 52.037 -0.649 0.000 0.628 220 A CB -0.511 18.155 19.000 -0.556 0.000 0.814 220 A HN 0.396 nan 8.150 nan 0.000 0.444 221 K N 0.201 120.294 120.400 -0.512 0.000 2.074 221 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 221 K C 2.194 178.674 176.600 -0.200 0.000 1.048 221 K CA 1.972 58.080 56.287 -0.299 0.000 0.926 221 K CB -0.225 32.146 32.500 -0.215 0.000 0.713 221 K HN 0.805 nan 8.250 nan 0.000 0.444 222 Q N -0.342 119.325 119.800 -0.223 0.000 2.331 222 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 222 Q C 1.939 177.832 176.000 -0.179 0.000 0.944 222 Q CA 0.331 56.044 55.803 -0.150 0.000 0.892 222 Q CB -0.032 28.643 28.738 -0.105 0.000 0.983 222 Q HN 0.164 nan 8.270 nan 0.000 0.482 223 L N 0.445 121.482 121.223 -0.310 0.000 2.093 223 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 223 L C 1.940 178.724 176.870 -0.144 0.000 1.085 223 L CA 1.577 56.219 54.840 -0.330 0.000 0.755 223 L CB -1.033 40.634 42.059 -0.654 0.000 0.904 223 L HN 0.161 nan 8.230 nan 0.000 0.435 224 Y N -0.095 120.130 120.300 -0.126 0.000 2.165 224 Y HA -0.273 4.276 4.550 -0.000 0.000 0.286 224 Y C 2.575 178.438 175.900 -0.061 0.000 1.155 224 Y CA 1.170 59.231 58.100 -0.066 0.000 1.164 224 Y CB -0.822 37.606 38.460 -0.053 0.000 0.978 224 Y HN 0.118 nan 8.280 nan 0.000 0.513 225 K N 0.147 120.586 120.400 0.065 0.000 1.985 225 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 225 K C 2.200 178.730 176.600 -0.117 0.000 1.047 225 K CA 1.113 57.385 56.287 -0.025 0.000 0.932 225 K CB -0.214 32.250 32.500 -0.059 0.000 0.716 225 K HN -0.163 nan 8.250 nan 0.000 0.439 226 K N -0.147 120.119 120.400 -0.224 0.000 2.089 226 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 226 K C 1.010 177.206 176.600 -0.673 0.000 1.048 226 K CA 1.592 57.565 56.287 -0.524 0.000 0.926 226 K CB -0.133 31.937 32.500 -0.716 0.000 0.714 226 K HN 0.168 nan 8.250 nan 0.000 0.448 227 F N 0.248 120.126 119.950 -0.120 0.000 2.735 227 F HA 0.140 4.667 4.527 -0.000 0.000 0.304 227 F C 0.061 175.857 175.800 -0.008 0.000 1.119 227 F CA -0.907 57.055 58.000 -0.064 0.000 1.280 227 F CB 0.084 39.035 39.000 -0.081 0.000 0.994 227 F HN -0.043 nan 8.300 nan 0.000 0.520 228 D N 1.670 122.124 120.400 0.090 0.000 2.755 228 D HA -0.219 4.421 4.640 -0.000 0.000 0.227 228 D C 0.860 177.221 176.300 0.102 0.000 1.211 228 D CA 0.534 54.577 54.000 0.072 0.000 0.663 228 D CB -0.661 40.165 40.800 0.042 0.000 0.983 228 D HN 0.413 nan 8.370 nan 0.000 0.407 229 L N -0.054 121.251 121.223 0.136 0.000 2.395 229 L HA -0.003 4.337 4.340 -0.000 0.000 0.218 229 L C 2.188 179.058 176.870 -0.000 0.000 1.130 229 L CA 0.385 55.302 54.840 0.130 0.000 0.826 229 L CB -0.220 41.991 42.059 0.253 0.000 0.941 229 L HN 0.077 nan 8.230 nan 0.000 0.451 230 R N 0.448 120.906 120.500 -0.070 0.000 2.388 230 R HA 0.249 4.589 4.340 -0.000 0.000 0.247 230 R C 1.934 178.197 176.300 -0.062 0.000 0.931 230 R CA 0.605 56.622 56.100 -0.138 0.000 1.082 230 R CB -0.217 29.964 30.300 -0.199 0.000 1.135 230 R HN 0.183 nan 8.270 nan 0.000 0.525 231 A N 1.846 124.655 122.820 -0.017 0.000 1.948 231 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 231 A C 1.069 178.650 177.584 -0.005 0.000 1.177 231 A CA 1.592 53.628 52.037 -0.002 0.000 0.636 231 A CB -0.320 18.692 19.000 0.021 0.000 0.815 231 A HN 0.378 nan 8.150 nan 0.000 0.449 232 N N -1.357 117.341 118.700 -0.005 0.000 2.458 232 N HA 0.343 5.083 4.740 -0.000 0.000 0.274 232 N C -0.683 174.815 175.510 -0.021 0.000 1.242 232 N CA 0.287 53.336 53.050 -0.002 0.000 0.904 232 N CB 0.772 39.269 38.487 0.016 0.000 1.206 232 N HN 0.643 nan 8.380 nan 0.000 0.510 233 C N -2.128 117.146 119.300 -0.043 0.000 3.173 233 C HA 0.503 4.963 4.460 -0.000 0.000 0.310 233 C C -0.242 174.714 174.990 -0.057 0.000 1.306 233 C CA -1.366 57.614 59.018 -0.063 0.000 1.426 233 C CB 1.296 28.975 27.740 -0.103 0.000 1.800 233 C HN 0.235 nan 8.230 nan 0.000 0.470 234 E N 2.559 122.736 120.200 -0.037 0.000 2.366 234 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 234 E C -2.052 174.525 176.600 -0.038 0.000 1.051 234 E CA -1.006 55.392 56.400 -0.003 0.000 0.884 234 E CB 0.770 30.515 29.700 0.076 0.000 1.006 234 E HN 0.567 nan 8.360 nan 0.000 0.417 235 P HA -0.068 nan 4.420 nan 0.000 0.270 235 P C -0.607 176.616 177.300 -0.128 0.000 1.223 235 P CA -0.127 62.926 63.100 -0.079 0.000 0.785 235 P CB 0.578 32.255 31.700 -0.039 0.000 0.923 236 Q N 1.165 120.862 119.800 -0.173 0.000 2.392 236 Q HA 0.276 4.615 4.340 -0.000 0.000 0.262 236 Q C -0.244 175.485 176.000 -0.452 0.000 1.003 236 Q CA 0.402 55.987 55.803 -0.363 0.000 0.888 236 Q CB 0.031 28.500 28.738 -0.448 0.000 1.260 236 Q HN 0.600 nan 8.270 nan 0.000 0.435 237 T N 0.695 114.868 114.554 -0.634 0.000 2.908 237 T HA 0.741 5.091 4.350 -0.000 0.000 0.290 237 T C -1.035 173.339 174.700 -0.544 0.000 1.034 237 T CA -0.555 61.270 62.100 -0.458 0.000 1.010 237 T CB 0.713 69.266 68.868 -0.525 0.000 1.068 237 T HN 0.454 nan 8.240 nan 0.000 0.481 238 Y N -0.282 119.909 120.300 -0.183 0.000 2.705 238 Y HA 0.848 5.398 4.550 -0.000 0.000 0.332 238 Y C 0.595 176.438 175.900 -0.096 0.000 1.157 238 Y CA -1.086 56.932 58.100 -0.137 0.000 1.091 238 Y CB 1.799 40.171 38.460 -0.147 0.000 1.301 238 Y HN 1.180 nan 8.280 nan 0.000 0.488 239 G N 0.030 108.919 108.800 0.149 0.000 2.672 239 G HA2 0.615 4.575 3.960 -0.000 0.000 0.292 239 G HA3 0.615 4.575 3.960 -0.000 0.000 0.292 239 G C -2.171 172.784 174.900 0.090 0.000 1.375 239 G CA -0.806 44.363 45.100 0.115 0.000 0.890 239 G HN 0.686 nan 8.290 nan 0.000 0.476 240 I N 0.782 121.404 120.570 0.086 0.000 2.404 240 I HA 0.710 4.880 4.170 -0.000 0.000 0.293 240 I C 0.211 176.357 176.117 0.048 0.000 0.992 240 I CA -0.920 60.421 61.300 0.069 0.000 1.149 240 I CB 1.625 39.685 38.000 0.101 0.000 1.315 240 I HN 0.586 nan 8.210 nan 0.000 0.446 241 G N 7.835 116.651 108.800 0.026 0.000 2.422 241 G HA2 0.602 4.562 3.960 -0.000 0.000 0.317 241 G HA3 0.602 4.562 3.960 -0.000 0.000 0.317 241 G C -1.275 173.602 174.900 -0.039 0.000 1.210 241 G CA -0.436 44.660 45.100 -0.007 0.000 0.930 241 G HN 0.449 nan 8.290 nan 0.000 0.468 242 L N 1.813 122.963 121.223 -0.121 0.000 2.331 242 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 242 L C 0.270 176.895 176.870 -0.408 0.000 1.022 242 L CA -0.606 54.114 54.840 -0.199 0.000 0.812 242 L CB 2.119 44.169 42.059 -0.016 0.000 1.257 242 L HN 0.512 nan 8.230 nan 0.000 0.435 243 K N 2.266 122.499 120.400 -0.279 0.000 2.542 243 K HA 0.564 4.884 4.320 -0.000 0.000 0.259 243 K C -1.776 174.862 176.600 0.063 0.000 0.932 243 K CA -0.551 55.647 56.287 -0.148 0.000 0.820 243 K CB 2.218 34.701 32.500 -0.029 0.000 1.345 243 K HN 0.772 nan 8.250 nan 0.000 0.432 244 E N 4.284 124.661 120.200 0.294 0.000 2.367 244 E HA 0.412 4.761 4.350 -0.000 0.000 0.273 244 E C -0.916 175.888 176.600 0.340 0.000 0.903 244 E CA -1.091 55.525 56.400 0.359 0.000 0.764 244 E CB 2.236 32.273 29.700 0.563 0.000 1.252 244 E HN 0.318 nan 8.360 nan 0.000 0.446 245 L N 1.719 123.050 121.223 0.179 0.000 2.309 245 L HA 0.506 4.846 4.340 -0.000 0.000 0.282 245 L C -1.236 175.710 176.870 0.128 0.000 1.036 245 L CA -0.602 54.347 54.840 0.182 0.000 0.806 245 L CB 0.703 42.806 42.059 0.072 0.000 1.220 245 L HN 0.560 nan 8.230 nan 0.000 0.429 246 W N 2.222 123.546 121.300 0.040 0.000 2.936 246 W HA 0.546 5.206 4.660 -0.000 0.000 0.338 246 W C -0.954 175.563 176.519 -0.002 0.000 1.121 246 W CA -0.499 56.863 57.345 0.027 0.000 1.209 246 W CB 1.780 31.263 29.460 0.038 0.000 1.420 246 W HN -0.060 nan 8.180 nan 0.000 0.516 247 V N 5.399 125.432 119.914 0.199 0.000 2.370 247 V HA 0.467 4.587 4.120 -0.000 0.000 0.283 247 V C 0.245 176.423 176.094 0.140 0.000 1.023 247 V CA -0.791 61.562 62.300 0.087 0.000 0.857 247 V CB 0.264 32.096 31.823 0.015 0.000 0.985 247 V HN 0.467 nan 8.190 nan 0.000 0.443 248 I N 0.205 120.826 120.570 0.084 0.000 3.133 248 I HA 0.675 4.845 4.170 -0.000 0.000 0.311 248 I C -0.094 176.059 176.117 0.060 0.000 1.072 248 I CA -0.963 60.399 61.300 0.103 0.000 1.015 248 I CB 1.559 39.626 38.000 0.110 0.000 1.233 248 I HN 0.351 nan 8.210 nan 0.000 0.473 249 D N 2.557 123.006 120.400 0.082 0.000 2.450 249 D HA -0.074 4.566 4.640 -0.000 0.000 0.247 249 D C 1.053 177.423 176.300 0.118 0.000 1.162 249 D CA 0.517 54.564 54.000 0.078 0.000 0.879 249 D CB 0.959 41.804 40.800 0.074 0.000 1.163 249 D HN 0.677 nan 8.370 nan 0.000 0.472 250 E N 3.849 124.111 120.200 0.104 0.000 2.147 250 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 250 E C 1.187 177.934 176.600 0.246 0.000 1.005 250 E CA 1.320 57.835 56.400 0.190 0.000 0.810 250 E CB 0.173 29.962 29.700 0.147 0.000 0.736 250 E HN 0.536 nan 8.360 nan 0.000 0.460 251 K N -0.102 120.392 120.400 0.158 0.000 2.360 251 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 251 K C 1.672 178.356 176.600 0.140 0.000 1.046 251 K CA 0.961 57.325 56.287 0.129 0.000 0.940 251 K CB 0.071 32.621 32.500 0.084 0.000 0.748 251 K HN 0.040 nan 8.250 nan 0.000 0.465 252 K N -0.788 119.722 120.400 0.184 0.000 2.387 252 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 252 K C -0.463 176.342 176.600 0.342 0.000 1.030 252 K CA -0.314 56.089 56.287 0.194 0.000 1.099 252 K CB 0.399 32.983 32.500 0.140 0.000 0.863 252 K HN 0.061 nan 8.250 nan 0.000 0.529 253 W N 3.661 125.054 121.300 0.154 0.000 2.358 253 W HA 0.139 4.799 4.660 -0.000 0.000 0.307 253 W C -0.395 176.210 176.519 0.144 0.000 1.203 253 W CA -0.635 56.858 57.345 0.246 0.000 1.279 253 W CB 0.660 30.223 29.460 0.172 0.000 1.264 253 W HN -0.252 nan 8.180 nan 0.000 0.474 254 K N 8.931 129.194 120.400 -0.229 0.000 2.606 254 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 254 K C -2.538 173.614 176.600 -0.746 0.000 1.048 254 K CA -1.754 54.153 56.287 -0.634 0.000 1.017 254 K CB 0.667 32.770 32.500 -0.662 0.000 1.413 254 K HN 0.312 nan 8.250 nan 0.000 0.568 255 P HA -0.114 nan 4.420 nan 0.000 0.261 255 P C 0.859 177.988 177.300 -0.284 0.000 1.173 255 P CA 1.200 63.932 63.100 -0.613 0.000 0.760 255 P CB 0.513 31.671 31.700 -0.903 0.000 0.783 256 G N 2.217 110.959 108.800 -0.097 0.000 2.195 256 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.246 256 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.246 256 G C 0.299 175.159 174.900 -0.068 0.000 0.984 256 G CA -0.014 45.041 45.100 -0.074 0.000 0.633 256 G HN 0.790 nan 8.290 nan 0.000 0.525 257 R N 0.344 120.796 120.500 -0.079 0.000 2.340 257 R HA 0.556 4.896 4.340 -0.000 0.000 0.300 257 R C -0.745 175.636 176.300 0.136 0.000 1.069 257 R CA -0.268 55.803 56.100 -0.048 0.000 0.984 257 R CB 0.959 31.101 30.300 -0.263 0.000 1.003 257 R HN 0.100 nan 8.270 nan 0.000 0.459 258 V N 5.058 125.024 119.914 0.086 0.000 2.376 258 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 258 V C -0.882 175.295 176.094 0.138 0.000 1.015 258 V CA -0.743 61.620 62.300 0.104 0.000 0.834 258 V CB 1.565 33.319 31.823 -0.114 0.000 1.001 258 V HN 0.814 nan 8.190 nan 0.000 0.428 259 D N 2.472 122.982 120.400 0.184 0.000 2.185 259 D HA 0.652 5.292 4.640 -0.000 0.000 0.247 259 D C -0.663 175.578 176.300 -0.098 0.000 1.027 259 D CA -0.174 53.891 54.000 0.108 0.000 0.861 259 D CB 1.642 42.544 40.800 0.170 0.000 1.202 259 D HN 0.646 nan 8.370 nan 0.000 0.453 260 H N -1.111 118.144 119.070 0.309 0.000 2.961 260 H HA 0.659 5.215 4.556 -0.000 0.000 0.371 260 H C -0.484 174.870 175.328 0.044 0.000 1.190 260 H CA -0.759 55.462 56.048 0.287 0.000 1.138 260 H CB 2.206 32.267 29.762 0.499 0.000 1.816 260 H HN 0.321 nan 8.280 nan 0.000 0.551 261 T N -0.413 114.177 114.554 0.060 0.000 2.868 261 T HA 0.670 5.020 4.350 -0.000 0.000 0.306 261 T C -0.993 173.611 174.700 -0.160 0.000 1.224 261 T CA -0.648 61.340 62.100 -0.187 0.000 1.012 261 T CB 0.953 69.851 68.868 0.049 0.000 1.221 261 T HN 0.569 nan 8.240 nan 0.000 0.499 262 V N -1.361 118.431 119.914 -0.203 0.000 3.158 262 V HA 1.046 5.166 4.120 -0.000 0.000 0.311 262 V C 0.824 176.935 176.094 0.028 0.000 1.181 262 V CA -0.040 62.199 62.300 -0.102 0.000 1.054 262 V CB 0.721 32.488 31.823 -0.094 0.000 1.085 262 V HN 2.312 nan 8.190 nan 0.000 0.446 263 G N -0.677 108.161 108.800 0.063 0.000 2.482 263 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.214 263 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.214 263 G C -0.625 174.456 174.900 0.302 0.000 1.271 263 G CA 0.012 45.254 45.100 0.235 0.000 0.944 263 G HN 2.146 nan 8.290 nan 0.000 0.568 264 W N 3.359 124.787 121.300 0.215 0.000 2.477 264 W HA 0.331 4.991 4.660 -0.000 0.000 0.339 264 W C -0.557 176.153 176.519 0.318 0.000 1.195 264 W CA 0.470 57.957 57.345 0.237 0.000 1.324 264 W CB 0.575 30.181 29.460 0.242 0.000 1.170 264 W HN 0.450 nan 8.180 nan 0.000 0.570 265 P HA 0.021 nan 4.420 nan 0.000 0.255 265 P C -0.397 176.675 177.300 -0.381 0.000 1.301 265 P CA 0.301 62.652 63.100 -1.247 0.000 0.817 265 P CB 0.192 30.932 31.700 -1.599 0.000 1.259 266 L N 2.146 123.335 121.223 -0.057 0.000 2.334 266 L HA 0.255 4.594 4.340 -0.000 0.000 0.277 266 L C 0.973 177.888 176.870 0.075 0.000 1.075 266 L CA -0.568 54.292 54.840 0.032 0.000 0.804 266 L CB 0.351 42.455 42.059 0.074 0.000 1.174 266 L HN 0.013 nan 8.230 nan 0.000 0.438 267 D N 2.753 123.202 120.400 0.083 0.000 2.360 267 D HA -0.008 4.632 4.640 -0.000 0.000 0.242 267 D C 1.031 177.386 176.300 0.091 0.000 1.184 267 D CA -0.405 53.662 54.000 0.112 0.000 0.930 267 D CB 0.656 41.526 40.800 0.118 0.000 1.161 267 D HN 0.610 nan 8.370 nan 0.000 0.447 268 R N 0.273 120.817 120.500 0.074 0.000 2.200 268 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 268 R C 0.884 177.109 176.300 -0.125 0.000 1.127 268 R CA 1.134 57.221 56.100 -0.022 0.000 0.989 268 R CB -0.459 29.873 30.300 0.054 0.000 0.869 268 R HN 0.460 nan 8.270 nan 0.000 0.459 269 H N 0.053 119.205 119.070 0.137 0.000 2.539 269 H HA 0.200 4.756 4.556 -0.000 0.000 0.269 269 H C -0.205 175.216 175.328 0.155 0.000 0.980 269 H CA 0.300 56.433 56.048 0.142 0.000 1.152 269 H CB 0.710 30.554 29.762 0.137 0.000 1.407 269 H HN 0.081 nan 8.280 nan 0.000 0.564 270 T N 1.521 116.204 114.554 0.215 0.000 2.788 270 T HA 0.095 4.445 4.350 -0.000 0.000 0.296 270 T C -0.593 174.200 174.700 0.155 0.000 1.009 270 T CA -0.496 61.730 62.100 0.209 0.000 0.949 270 T CB 0.820 69.790 68.868 0.170 0.000 0.946 270 T HN 0.149 nan 8.240 nan 0.000 0.453 271 Y N 3.013 123.361 120.300 0.081 0.000 2.442 271 Y HA 0.508 5.058 4.550 -0.000 0.000 0.330 271 Y C 0.640 176.518 175.900 -0.035 0.000 1.129 271 Y CA 0.856 58.965 58.100 0.015 0.000 1.365 271 Y CB 0.205 38.686 38.460 0.035 0.000 1.233 271 Y HN 0.877 nan 8.280 nan 0.000 0.529 272 G N 2.055 110.447 108.800 -0.681 0.000 2.316 272 G HA2 0.501 4.461 3.960 -0.000 0.000 0.296 272 G HA3 0.501 4.461 3.960 -0.000 0.000 0.296 272 G C -1.093 173.367 174.900 -0.734 0.000 1.399 272 G CA -0.197 44.531 45.100 -0.621 0.000 0.833 272 G HN 1.233 nan 8.290 nan 0.000 0.565 273 G N -1.279 106.931 108.800 -0.984 0.000 2.430 273 G HA2 0.842 4.802 3.960 -0.000 0.000 0.300 273 G HA3 0.842 4.802 3.960 -0.000 0.000 0.300 273 G C -0.395 173.883 174.900 -1.036 0.000 1.330 273 G CA 0.943 45.536 45.100 -0.845 0.000 0.813 273 G HN 2.056 nan 8.290 nan 0.000 0.487 274 S N -1.286 114.066 115.700 -0.581 0.000 2.704 274 S HA 0.923 5.392 4.470 -0.000 0.000 0.305 274 S C -0.804 173.701 174.600 -0.159 0.000 1.107 274 S CA -0.614 57.218 58.200 -0.614 0.000 0.993 274 S CB 1.819 64.369 63.200 -1.083 0.000 1.110 274 S HN 1.931 nan 8.310 nan 0.000 0.534 275 F N -0.701 119.036 119.950 -0.355 0.000 2.608 275 F HA 0.821 5.348 4.527 -0.000 0.000 0.309 275 F C -1.679 173.865 175.800 -0.427 0.000 1.103 275 F CA -1.286 56.490 58.000 -0.372 0.000 0.954 275 F CB 1.307 40.052 39.000 -0.424 0.000 1.267 275 F HN 0.727 nan 8.300 nan 0.000 0.444 276 L N 5.012 126.109 121.223 -0.209 0.000 2.541 276 L HA 0.534 4.874 4.340 -0.000 0.000 0.266 276 L C -2.095 174.925 176.870 0.250 0.000 0.966 276 L CA -0.279 54.514 54.840 -0.077 0.000 0.871 276 L CB 1.549 43.654 42.059 0.077 0.000 1.232 276 L HN 0.862 nan 8.230 nan 0.000 0.408 277 Y N 3.026 123.432 120.300 0.177 0.000 2.364 277 Y HA 0.434 4.984 4.550 -0.000 0.000 0.340 277 Y C -0.064 175.949 175.900 0.188 0.000 0.975 277 Y CA -1.244 56.972 58.100 0.193 0.000 1.089 277 Y CB 1.735 40.308 38.460 0.188 0.000 1.192 277 Y HN 0.418 nan 8.280 nan 0.000 0.454 278 H N 4.388 123.637 119.070 0.299 0.000 2.782 278 H HA 0.126 4.682 4.556 -0.000 0.000 0.285 278 H C -0.398 175.122 175.328 0.321 0.000 1.093 278 H CA -0.694 55.539 56.048 0.309 0.000 1.410 278 H CB 1.203 31.060 29.762 0.158 0.000 1.439 278 H HN 0.303 nan 8.280 nan 0.000 0.469 279 L N 2.948 124.470 121.223 0.498 0.000 2.436 279 L HA -0.013 4.327 4.340 -0.000 0.000 0.265 279 L C 1.045 178.252 176.870 0.561 0.000 1.168 279 L CA 0.288 55.374 54.840 0.410 0.000 0.815 279 L CB 0.488 42.733 42.059 0.310 0.000 1.109 279 L HN 0.671 nan 8.230 nan 0.000 0.462 280 N N 0.825 119.761 118.700 0.394 0.000 2.660 280 N HA 0.141 4.881 4.740 -0.000 0.000 0.316 280 N C -0.280 175.429 175.510 0.332 0.000 1.774 280 N CA -0.013 53.297 53.050 0.434 0.000 0.946 280 N CB 0.319 38.924 38.487 0.198 0.000 1.322 280 N HN 0.564 nan 8.380 nan 0.000 0.492 281 E N -0.648 119.733 120.200 0.300 0.000 2.609 281 E HA 0.296 4.645 4.350 -0.000 0.000 0.208 281 E C 0.736 177.425 176.600 0.148 0.000 1.013 281 E CA -0.034 56.481 56.400 0.192 0.000 1.093 281 E CB 0.432 30.226 29.700 0.158 0.000 1.129 281 E HN 0.510 nan 8.360 nan 0.000 0.450 282 G N 1.387 110.295 108.800 0.180 0.000 2.308 282 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 282 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 282 G C 0.165 175.019 174.900 -0.077 0.000 1.032 282 G CA -0.315 44.836 45.100 0.085 0.000 0.623 282 G HN 0.333 nan 8.290 nan 0.000 0.506 283 E N 1.911 122.011 120.200 -0.167 0.000 2.222 283 E HA 0.505 4.854 4.350 -0.000 0.000 0.267 283 E C -2.627 173.491 176.600 -0.804 0.000 0.963 283 E CA -2.037 54.163 56.400 -0.333 0.000 0.837 283 E CB 2.170 31.768 29.700 -0.169 0.000 1.183 283 E HN 0.133 nan 8.360 nan 0.000 0.403 284 P HA 0.149 nan 4.420 nan 0.000 0.232 284 P C -1.166 175.753 177.300 -0.635 0.000 1.814 284 P CA -0.209 61.973 63.100 -1.531 0.000 1.085 284 P CB -0.022 31.211 31.700 -0.778 0.000 1.901 285 L N 4.114 125.091 121.223 -0.410 0.000 2.334 285 L HA 0.578 4.918 4.340 -0.000 0.000 0.276 285 L C -1.051 175.909 176.870 0.150 0.000 1.014 285 L CA -0.920 53.904 54.840 -0.026 0.000 0.815 285 L CB 1.579 43.653 42.059 0.024 0.000 1.268 285 L HN 0.028 nan 8.230 nan 0.000 0.428 286 L N 4.050 125.364 121.223 0.152 0.000 2.385 286 L HA 0.789 5.128 4.340 -0.000 0.000 0.273 286 L C -0.520 176.460 176.870 0.184 0.000 0.990 286 L CA -0.358 54.563 54.840 0.136 0.000 0.821 286 L CB 1.766 43.847 42.059 0.037 0.000 1.279 286 L HN 0.748 nan 8.230 nan 0.000 0.412 287 A N 4.790 127.723 122.820 0.188 0.000 2.249 287 A HA 0.803 5.123 4.320 -0.000 0.000 0.314 287 A C -0.954 176.685 177.584 0.092 0.000 1.290 287 A CA -0.339 51.821 52.037 0.204 0.000 0.893 287 A CB 0.220 19.381 19.000 0.268 0.000 1.165 287 A HN 0.614 nan 8.150 nan 0.000 0.530 288 L N 0.507 121.704 121.223 -0.042 0.000 2.359 288 L HA 1.105 5.445 4.340 -0.000 0.000 0.256 288 L C 0.053 176.366 176.870 -0.929 0.000 1.026 288 L CA -0.224 54.300 54.840 -0.526 0.000 0.828 288 L CB 1.539 43.514 42.059 -0.140 0.000 1.406 288 L HN 1.102 nan 8.230 nan 0.000 0.413 289 G N -0.662 107.138 108.800 -1.667 0.000 2.430 289 G HA2 0.569 4.528 3.960 -0.000 0.000 0.300 289 G HA3 0.569 4.528 3.960 -0.000 0.000 0.300 289 G C -2.457 171.744 174.900 -1.165 0.000 1.330 289 G CA -0.516 43.715 45.100 -1.448 0.000 0.813 289 G HN 0.687 nan 8.290 nan 0.000 0.487 290 F N -0.402 118.888 119.950 -1.099 0.000 2.601 290 F HA 0.745 5.272 4.527 -0.000 0.000 0.309 290 F C -0.619 174.979 175.800 -0.336 0.000 1.089 290 F CA -0.691 56.885 58.000 -0.707 0.000 0.940 290 F CB 2.528 41.139 39.000 -0.648 0.000 1.273 290 F HN 0.412 nan 8.300 nan 0.000 0.450 291 V N 4.621 124.149 119.914 -0.643 0.000 2.735 291 V HA 0.750 4.870 4.120 -0.000 0.000 0.310 291 V C -1.194 174.691 176.094 -0.349 0.000 1.061 291 V CA -0.840 61.263 62.300 -0.329 0.000 0.913 291 V CB 2.015 33.715 31.823 -0.206 0.000 1.005 291 V HN 0.562 nan 8.190 nan 0.000 0.428 292 V N 2.392 122.274 119.914 -0.054 0.000 2.623 292 V HA 0.622 4.742 4.120 -0.000 0.000 0.304 292 V C 0.513 176.720 176.094 0.188 0.000 1.054 292 V CA -0.551 61.786 62.300 0.062 0.000 0.882 292 V CB 2.013 33.913 31.823 0.129 0.000 1.002 292 V HN 0.997 nan 8.190 nan 0.000 0.424 293 G N 3.233 112.204 108.800 0.285 0.000 2.365 293 G HA2 0.385 4.345 3.960 -0.000 0.000 0.249 293 G HA3 0.385 4.345 3.960 -0.000 0.000 0.249 293 G C 0.552 175.609 174.900 0.261 0.000 1.288 293 G CA -0.372 44.883 45.100 0.259 0.000 0.887 293 G HN 0.791 nan 8.290 nan 0.000 0.524 294 L N 1.792 123.095 121.223 0.133 0.000 2.675 294 L HA 0.051 4.391 4.340 -0.000 0.000 0.239 294 L C 1.425 178.191 176.870 -0.174 0.000 1.151 294 L CA 0.210 55.052 54.840 0.003 0.000 0.905 294 L CB -0.034 41.968 42.059 -0.095 0.000 1.057 294 L HN 0.671 nan 8.230 nan 0.000 0.435 295 D N -1.309 119.061 120.400 -0.050 0.000 2.358 295 D HA -0.089 4.551 4.640 -0.000 0.000 0.224 295 D C 0.535 176.807 176.300 -0.047 0.000 1.123 295 D CA -0.464 53.478 54.000 -0.098 0.000 0.833 295 D CB -0.427 40.342 40.800 -0.052 0.000 0.946 295 D HN 0.322 nan 8.370 nan 0.000 0.505 296 Y N -0.218 120.107 120.300 0.041 0.000 2.457 296 Y HA 0.266 4.816 4.550 -0.000 0.000 0.341 296 Y C 1.285 177.214 175.900 0.049 0.000 1.240 296 Y CA -0.579 57.564 58.100 0.073 0.000 1.437 296 Y CB 0.593 39.117 38.460 0.105 0.000 1.328 296 Y HN -0.231 nan 8.280 nan 0.000 0.588 297 Q N 0.576 120.531 119.800 0.260 0.000 2.339 297 Q HA 0.006 4.346 4.340 -0.000 0.000 0.205 297 Q C 0.003 176.135 176.000 0.221 0.000 0.925 297 Q CA 0.169 56.063 55.803 0.152 0.000 0.898 297 Q CB 0.184 28.988 28.738 0.110 0.000 1.013 297 Q HN 0.659 nan 8.270 nan 0.000 0.504 298 N N 1.897 120.803 118.700 0.342 0.000 2.411 298 N HA 0.052 4.792 4.740 -0.000 0.000 0.259 298 N C -2.088 173.617 175.510 0.325 0.000 1.103 298 N CA -1.701 51.522 53.050 0.289 0.000 0.954 298 N CB 1.375 40.019 38.487 0.261 0.000 1.085 298 N HN -0.115 nan 8.380 nan 0.000 0.485 299 P HA -0.046 nan 4.420 nan 0.000 0.225 299 P C 0.301 177.582 177.300 -0.031 0.000 1.148 299 P CA 1.097 64.229 63.100 0.053 0.000 0.779 299 P CB 0.044 31.675 31.700 -0.116 0.000 0.780 300 Y N -1.200 119.218 120.300 0.196 0.000 2.523 300 Y HA 0.165 4.715 4.550 -0.000 0.000 0.279 300 Y C 1.362 177.377 175.900 0.192 0.000 1.139 300 Y CA -0.478 57.718 58.100 0.160 0.000 1.296 300 Y CB -0.696 37.824 38.460 0.101 0.000 1.045 300 Y HN -0.072 nan 8.280 nan 0.000 0.538 301 L N 0.374 121.755 121.223 0.264 0.000 2.416 301 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 301 L C 0.342 177.272 176.870 0.100 0.000 1.161 301 L CA 0.160 55.094 54.840 0.157 0.000 0.845 301 L CB 0.664 42.634 42.059 -0.148 0.000 1.119 301 L HN -0.066 nan 8.230 nan 0.000 0.464 302 S N 5.451 121.242 115.700 0.150 0.000 2.669 302 S HA 0.495 4.964 4.470 -0.000 0.000 0.315 302 S C -1.856 172.731 174.600 -0.021 0.000 1.106 302 S CA -1.464 56.750 58.200 0.024 0.000 1.107 302 S CB 1.398 64.547 63.200 -0.085 0.000 0.990 302 S HN 0.523 nan 8.310 nan 0.000 0.471 303 P HA -0.084 nan 4.420 nan 0.000 0.218 303 P C 1.094 178.514 177.300 0.200 0.000 1.148 303 P CA 0.731 63.915 63.100 0.141 0.000 0.822 303 P CB 0.001 31.820 31.700 0.199 0.000 0.784 304 F N 0.892 120.905 119.950 0.105 0.000 2.113 304 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 304 F C 2.054 177.860 175.800 0.009 0.000 1.103 304 F CA 1.440 59.540 58.000 0.168 0.000 1.248 304 F CB -0.268 38.821 39.000 0.148 0.000 0.999 304 F HN -0.297 nan 8.300 nan 0.000 0.475 305 R N 0.765 121.084 120.500 -0.302 0.000 2.115 305 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 305 R C 2.033 178.025 176.300 -0.514 0.000 1.111 305 R CA 1.044 56.770 56.100 -0.622 0.000 0.976 305 R CB -1.005 28.547 30.300 -1.246 0.000 0.870 305 R HN 0.395 nan 8.270 nan 0.000 0.445 306 E N 0.225 120.217 120.200 -0.348 0.000 2.047 306 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 306 E C 1.748 178.074 176.600 -0.457 0.000 0.987 306 E CA 0.749 57.000 56.400 -0.249 0.000 0.799 306 E CB -0.417 29.233 29.700 -0.083 0.000 0.752 306 E HN 0.183 nan 8.360 nan 0.000 0.449 307 F N 2.610 122.215 119.950 -0.576 0.000 2.102 307 F HA -0.166 4.360 4.527 -0.000 0.000 0.298 307 F C 2.100 177.761 175.800 -0.232 0.000 1.105 307 F CA 1.402 59.086 58.000 -0.527 0.000 1.239 307 F CB -0.359 38.527 39.000 -0.189 0.000 0.991 307 F HN -0.087 nan 8.300 nan 0.000 0.474 308 Q N 0.507 119.959 119.800 -0.580 0.000 2.124 308 Q HA -0.193 4.146 4.340 -0.000 0.000 0.202 308 Q C 2.470 178.330 176.000 -0.233 0.000 0.977 308 Q CA 1.638 57.095 55.803 -0.577 0.000 0.850 308 Q CB -0.677 27.674 28.738 -0.646 0.000 0.901 308 Q HN 0.524 nan 8.270 nan 0.000 0.429 309 R N -0.436 119.957 120.500 -0.179 0.000 2.119 309 R HA -0.134 4.205 4.340 -0.000 0.000 0.222 309 R C 1.931 178.285 176.300 0.089 0.000 1.088 309 R CA 0.893 56.974 56.100 -0.032 0.000 0.984 309 R CB -0.372 29.893 30.300 -0.058 0.000 0.884 309 R HN 0.291 nan 8.270 nan 0.000 0.447 310 W N 2.263 123.430 121.300 -0.222 0.000 2.374 310 W HA -0.120 4.540 4.660 -0.000 0.000 0.288 310 W C 1.282 177.871 176.519 0.117 0.000 1.218 310 W CA 1.444 58.738 57.345 -0.085 0.000 1.245 310 W CB 0.081 29.292 29.460 -0.415 0.000 1.126 310 W HN -0.037 nan 8.180 nan 0.000 0.545 311 K N -0.901 119.333 120.400 -0.278 0.000 2.283 311 K HA -0.167 4.152 4.320 -0.000 0.000 0.202 311 K C 1.667 177.970 176.600 -0.495 0.000 1.048 311 K CA 1.111 57.031 56.287 -0.611 0.000 0.948 311 K CB -0.453 31.794 32.500 -0.420 0.000 0.742 311 K HN 0.362 nan 8.250 nan 0.000 0.458 312 H N -0.719 118.204 119.070 -0.244 0.000 2.548 312 H HA -0.034 4.522 4.556 -0.000 0.000 0.268 312 H C 0.586 175.786 175.328 -0.213 0.000 0.975 312 H CA 0.219 56.155 56.048 -0.187 0.000 1.195 312 H CB 0.084 29.789 29.762 -0.096 0.000 1.397 312 H HN 0.207 nan 8.280 nan 0.000 0.572 313 H N 2.988 121.939 119.070 -0.198 0.000 3.064 313 H HA -0.042 4.514 4.556 -0.000 0.000 0.329 313 H C -1.553 173.587 175.328 -0.313 0.000 1.020 313 H CA -1.206 54.649 56.048 -0.322 0.000 1.402 313 H CB 1.358 30.974 29.762 -0.244 0.000 1.379 313 H HN 0.103 nan 8.280 nan 0.000 0.594 314 P HA -0.142 nan 4.420 nan 0.000 0.223 314 P C 1.150 178.403 177.300 -0.078 0.000 1.144 314 P CA 1.508 64.425 63.100 -0.305 0.000 0.783 314 P CB 0.073 31.527 31.700 -0.410 0.000 0.771 315 S N -2.444 113.380 115.700 0.207 0.000 2.548 315 S HA 0.126 4.596 4.470 -0.000 0.000 0.215 315 S C 1.582 176.160 174.600 -0.036 0.000 0.976 315 S CA 0.065 58.318 58.200 0.088 0.000 0.908 315 S CB -0.799 62.463 63.200 0.104 0.000 0.781 315 S HN 0.057 nan 8.310 nan 0.000 0.519 316 I N 0.581 121.074 120.570 -0.129 0.000 3.565 316 I HA 0.269 4.438 4.170 -0.000 0.000 0.287 316 I C 2.260 178.181 176.117 -0.325 0.000 1.193 316 I CA 0.079 61.204 61.300 -0.291 0.000 1.402 316 I CB -0.051 37.580 38.000 -0.614 0.000 1.284 316 I HN 0.089 nan 8.210 nan 0.000 0.454 317 K N 1.779 121.978 120.400 -0.334 0.000 2.059 317 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 317 K C -0.758 175.692 176.600 -0.251 0.000 1.050 317 K CA 2.108 58.186 56.287 -0.348 0.000 0.927 317 K CB -0.923 31.379 32.500 -0.331 0.000 0.714 317 K HN 0.147 nan 8.250 nan 0.000 0.447 318 P HA -0.107 nan 4.420 nan 0.000 0.218 318 P C 0.780 178.021 177.300 -0.100 0.000 1.148 318 P CA 1.448 64.478 63.100 -0.117 0.000 0.822 318 P CB -0.028 31.622 31.700 -0.083 0.000 0.784 319 T N -0.191 114.291 114.554 -0.121 0.000 2.821 319 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 319 T C 1.241 175.864 174.700 -0.128 0.000 1.046 319 T CA 1.223 63.271 62.100 -0.087 0.000 1.139 319 T CB -0.647 68.170 68.868 -0.085 0.000 0.871 319 T HN 0.108 nan 8.240 nan 0.000 0.454 320 L N 0.039 121.112 121.223 -0.249 0.000 2.628 320 L HA 0.450 4.790 4.340 -0.000 0.000 0.229 320 L C 0.596 177.400 176.870 -0.109 0.000 1.137 320 L CA -0.073 54.593 54.840 -0.289 0.000 0.909 320 L CB -0.648 40.930 42.059 -0.802 0.000 1.137 320 L HN -0.014 nan 8.230 nan 0.000 0.470 321 E N 1.392 121.534 120.200 -0.096 0.000 2.366 321 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 321 E C 1.250 177.863 176.600 0.022 0.000 1.015 321 E CA 0.820 57.194 56.400 -0.043 0.000 0.906 321 E CB 0.317 29.978 29.700 -0.065 0.000 0.979 321 E HN 0.384 nan 8.360 nan 0.000 0.443 322 G N 2.768 111.602 108.800 0.056 0.000 2.159 322 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.256 322 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.256 322 G C 0.453 175.421 174.900 0.114 0.000 0.977 322 G CA -0.079 45.063 45.100 0.070 0.000 0.652 322 G HN 0.803 nan 8.290 nan 0.000 0.531 323 G N -0.760 108.155 108.800 0.192 0.000 2.535 323 G HA2 0.623 4.583 3.960 -0.000 0.000 0.303 323 G HA3 0.623 4.583 3.960 -0.000 0.000 0.303 323 G C -0.329 174.757 174.900 0.310 0.000 1.237 323 G CA 0.014 45.291 45.100 0.295 0.000 0.986 323 G HN 0.580 nan 8.290 nan 0.000 0.494 324 K N -0.215 120.321 120.400 0.227 0.000 2.426 324 K HA 0.397 4.717 4.320 -0.000 0.000 0.254 324 K C -0.595 175.768 176.600 -0.395 0.000 0.936 324 K CA -0.773 55.488 56.287 -0.044 0.000 0.801 324 K CB 1.732 34.211 32.500 -0.036 0.000 1.139 324 K HN 0.477 nan 8.250 nan 0.000 0.424 325 R N 5.960 125.931 120.500 -0.881 0.000 2.202 325 R HA 0.230 4.570 4.340 -0.000 0.000 0.334 325 R C 0.782 176.688 176.300 -0.656 0.000 1.036 325 R CA -0.199 55.094 56.100 -1.345 0.000 0.878 325 R CB 0.363 29.629 30.300 -1.723 0.000 1.067 325 R HN 0.847 nan 8.270 nan 0.000 0.457 326 I N 0.631 120.943 120.570 -0.430 0.000 4.018 326 I HA 0.475 4.645 4.170 -0.000 0.000 0.337 326 I C -0.101 175.939 176.117 -0.128 0.000 1.327 326 I CA -0.261 60.906 61.300 -0.222 0.000 1.100 326 I CB 0.836 38.763 38.000 -0.121 0.000 1.025 326 I HN 0.454 nan 8.210 nan 0.000 0.396 327 A N 0.493 123.245 122.820 -0.113 0.000 2.608 327 A HA 0.712 5.032 4.320 -0.000 0.000 0.292 327 A C -2.132 175.515 177.584 0.105 0.000 1.066 327 A CA -0.422 51.623 52.037 0.013 0.000 0.676 327 A CB 1.238 20.256 19.000 0.030 0.000 1.277 327 A HN 0.319 nan 8.150 nan 0.000 0.413 328 Y N 0.032 120.356 120.300 0.041 0.000 2.513 328 Y HA 0.664 5.213 4.550 -0.000 0.000 0.340 328 Y C -0.098 175.889 175.900 0.146 0.000 1.055 328 Y CA 0.286 58.454 58.100 0.113 0.000 1.020 328 Y CB 1.850 40.392 38.460 0.136 0.000 1.301 328 Y HN 1.592 nan 8.280 nan 0.000 0.453 329 G N 1.847 110.237 108.800 -0.683 0.000 2.623 329 G HA2 0.802 4.762 3.960 -0.000 0.000 0.290 329 G HA3 0.802 4.762 3.960 -0.000 0.000 0.290 329 G C -2.248 172.348 174.900 -0.506 0.000 1.437 329 G CA -0.426 44.396 45.100 -0.464 0.000 0.798 329 G HN 1.249 nan 8.290 nan 0.000 0.488 330 A N 0.145 122.880 122.820 -0.142 0.000 2.547 330 A HA 0.941 5.260 4.320 -0.000 0.000 0.297 330 A C -1.071 176.538 177.584 0.041 0.000 1.056 330 A CA -0.652 51.348 52.037 -0.062 0.000 0.688 330 A CB 2.347 21.363 19.000 0.026 0.000 1.282 330 A HN 0.696 nan 8.150 nan 0.000 0.400 331 R N 0.202 120.715 120.500 0.022 0.000 2.643 331 R HA 0.742 5.081 4.340 -0.000 0.000 0.269 331 R C -0.500 175.815 176.300 0.026 0.000 1.037 331 R CA -0.055 56.067 56.100 0.037 0.000 0.894 331 R CB 1.936 32.262 30.300 0.044 0.000 1.238 331 R HN 1.313 nan 8.270 nan 0.000 0.459 332 A N 3.605 126.434 122.820 0.015 0.000 2.322 332 A HA 0.691 5.010 4.320 -0.000 0.000 0.269 332 A C -0.061 177.569 177.584 0.077 0.000 1.094 332 A CA -0.445 51.608 52.037 0.027 0.000 0.807 332 A CB 0.345 19.317 19.000 -0.047 0.000 1.047 332 A HN 0.586 nan 8.150 nan 0.000 0.487 333 L N -0.695 120.592 121.223 0.105 0.000 2.327 333 L HA 0.648 4.988 4.340 -0.000 0.000 0.258 333 L C -0.794 176.127 176.870 0.084 0.000 1.024 333 L CA -1.306 53.587 54.840 0.088 0.000 0.825 333 L CB 1.744 43.827 42.059 0.039 0.000 1.386 333 L HN 0.521 nan 8.230 nan 0.000 0.417 334 N N 1.118 119.812 118.700 -0.010 0.000 2.518 334 N HA 0.232 4.971 4.740 -0.000 0.000 0.283 334 N C -0.321 175.098 175.510 -0.153 0.000 1.119 334 N CA -0.275 52.672 53.050 -0.172 0.000 0.983 334 N CB 1.616 39.982 38.487 -0.202 0.000 1.139 334 N HN 0.858 nan 8.380 nan 0.000 0.465 335 E N -0.862 119.192 120.200 -0.243 0.000 2.743 335 E HA 0.163 4.513 4.350 -0.000 0.000 0.222 335 E C 0.947 177.381 176.600 -0.278 0.000 0.959 335 E CA -0.306 55.965 56.400 -0.216 0.000 1.198 335 E CB -0.064 29.506 29.700 -0.215 0.000 1.100 335 E HN 0.571 nan 8.360 nan 0.000 0.518 336 G N 1.705 110.289 108.800 -0.360 0.000 2.572 336 G HA2 0.217 4.177 3.960 -0.000 0.000 0.216 336 G HA3 0.217 4.177 3.960 -0.000 0.000 0.216 336 G C 1.038 175.910 174.900 -0.047 0.000 1.133 336 G CA 0.392 45.246 45.100 -0.411 0.000 0.791 336 G HN 0.502 nan 8.290 nan 0.000 0.538 337 G N 0.153 108.905 108.800 -0.081 0.000 2.581 337 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.291 337 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.291 337 G C 0.847 175.756 174.900 0.016 0.000 1.277 337 G CA 0.447 45.545 45.100 -0.003 0.000 0.959 337 G HN 0.590 nan 8.290 nan 0.000 0.554 338 F N 1.270 121.151 119.950 -0.116 0.000 2.115 338 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 338 F C 3.019 178.740 175.800 -0.132 0.000 1.092 338 F CA 3.073 60.963 58.000 -0.183 0.000 1.245 338 F CB -0.286 38.587 39.000 -0.212 0.000 0.995 338 F HN 0.473 nan 8.300 nan 0.000 0.481 339 Q N -0.614 119.227 119.800 0.067 0.000 2.291 339 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 339 Q C 1.984 177.947 176.000 -0.062 0.000 0.970 339 Q CA 1.542 57.342 55.803 -0.005 0.000 0.876 339 Q CB -0.275 28.447 28.738 -0.027 0.000 0.935 339 Q HN 0.245 nan 8.270 nan 0.000 0.455 340 S N -0.210 115.453 115.700 -0.061 0.000 2.556 340 S HA 0.222 4.692 4.470 -0.000 0.000 0.216 340 S C 0.325 174.808 174.600 -0.195 0.000 0.970 340 S CA -0.240 57.887 58.200 -0.122 0.000 0.912 340 S CB 0.223 63.330 63.200 -0.155 0.000 0.790 340 S HN 0.258 nan 8.310 nan 0.000 0.504 341 I N 4.705 125.137 120.570 -0.230 0.000 2.505 341 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 341 I C -1.765 174.289 176.117 -0.105 0.000 1.104 341 I CA -1.689 59.502 61.300 -0.183 0.000 1.387 341 I CB 0.362 38.260 38.000 -0.171 0.000 1.404 341 I HN 0.048 nan 8.210 nan 0.000 0.528 342 P HA 0.128 nan 4.420 nan 0.000 0.289 342 P C -0.815 176.530 177.300 0.074 0.000 1.299 342 P CA -0.801 62.258 63.100 -0.067 0.000 0.766 342 P CB 0.827 32.390 31.700 -0.229 0.000 1.226 343 K N 0.321 120.784 120.400 0.104 0.000 2.368 343 K HA 0.153 4.472 4.320 -0.000 0.000 0.282 343 K C 0.603 177.348 176.600 0.241 0.000 1.035 343 K CA -0.078 56.303 56.287 0.156 0.000 0.973 343 K CB -0.298 32.299 32.500 0.162 0.000 0.957 343 K HN 0.320 nan 8.250 nan 0.000 0.474 344 L N 3.070 124.435 121.223 0.237 0.000 2.628 344 L HA 0.183 4.523 4.340 -0.000 0.000 0.229 344 L C -0.043 177.021 176.870 0.323 0.000 1.137 344 L CA -0.247 54.790 54.840 0.328 0.000 0.909 344 L CB 0.422 42.675 42.059 0.323 0.000 1.137 344 L HN 0.587 nan 8.230 nan 0.000 0.470 345 T N 0.412 115.131 114.554 0.274 0.000 2.903 345 T HA 0.731 5.080 4.350 -0.000 0.000 0.299 345 T C -0.878 173.913 174.700 0.151 0.000 1.093 345 T CA -0.314 61.861 62.100 0.125 0.000 1.002 345 T CB 2.369 71.352 68.868 0.192 0.000 1.127 345 T HN 0.084 nan 8.240 nan 0.000 0.488 346 F N -0.902 118.960 119.950 -0.145 0.000 2.741 346 F HA 0.638 5.165 4.527 -0.000 0.000 0.311 346 F C -3.351 172.013 175.800 -0.727 0.000 1.149 346 F CA -2.866 54.716 58.000 -0.697 0.000 0.930 346 F CB 0.044 38.373 39.000 -1.119 0.000 1.312 346 F HN 0.209 nan 8.300 nan 0.000 0.450 347 P HA 0.276 nan 4.420 nan 0.000 0.261 347 P C 0.695 177.971 177.300 -0.041 0.000 1.203 347 P CA 1.830 64.780 63.100 -0.249 0.000 0.767 347 P CB 0.499 32.172 31.700 -0.045 0.000 0.785 348 G N 2.224 110.991 108.800 -0.056 0.000 2.176 348 G HA2 0.001 3.960 3.960 -0.000 0.000 0.232 348 G HA3 0.001 3.960 3.960 -0.000 0.000 0.232 348 G C 0.298 175.162 174.900 -0.060 0.000 0.986 348 G CA -0.343 44.770 45.100 0.020 0.000 0.643 348 G HN 0.939 nan 8.290 nan 0.000 0.522 349 G N -1.192 107.343 108.800 -0.441 0.000 2.576 349 G HA2 0.692 4.651 3.960 -0.000 0.000 0.290 349 G HA3 0.692 4.651 3.960 -0.000 0.000 0.290 349 G C -1.369 172.922 174.900 -1.015 0.000 1.442 349 G CA -0.596 44.186 45.100 -0.530 0.000 0.792 349 G HN 0.821 nan 8.290 nan 0.000 0.491 350 L N -0.540 120.479 121.223 -0.341 0.000 2.376 350 L HA 0.662 5.002 4.340 -0.000 0.000 0.258 350 L C -0.833 176.175 176.870 0.230 0.000 1.013 350 L CA -0.948 53.812 54.840 -0.134 0.000 0.822 350 L CB 2.532 44.476 42.059 -0.192 0.000 1.388 350 L HN 0.329 nan 8.230 nan 0.000 0.413 351 L N 3.392 124.820 121.223 0.342 0.000 2.333 351 L HA 0.666 5.006 4.340 -0.000 0.000 0.280 351 L C -0.537 176.595 176.870 0.437 0.000 1.004 351 L CA -0.442 54.637 54.840 0.400 0.000 0.820 351 L CB 1.852 44.154 42.059 0.405 0.000 1.247 351 L HN 0.502 nan 8.230 nan 0.000 0.416 352 I N -0.604 120.176 120.570 0.350 0.000 3.174 352 I HA 1.003 5.173 4.170 -0.000 0.000 0.313 352 I C 0.550 176.886 176.117 0.365 0.000 1.155 352 I CA -0.604 60.956 61.300 0.435 0.000 0.977 352 I CB 1.976 40.122 38.000 0.244 0.000 1.248 352 I HN 0.668 nan 8.210 nan 0.000 0.453 353 G N 1.283 110.368 108.800 0.475 0.000 2.601 353 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 353 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 353 G C 0.343 175.315 174.900 0.120 0.000 1.294 353 G CA -0.004 45.288 45.100 0.320 0.000 0.912 353 G HN 0.983 nan 8.290 nan 0.000 0.574 354 C N 0.520 119.872 119.300 0.088 0.000 2.539 354 C HA 0.320 4.779 4.460 -0.000 0.000 0.271 354 C C 3.041 178.031 174.990 -0.000 0.000 1.412 354 C CA 1.354 60.372 59.018 0.000 0.000 1.729 354 C CB -1.499 26.271 27.740 0.050 0.000 1.739 354 C HN 0.869 nan 8.230 nan 0.000 0.570 355 S N 2.061 117.789 115.700 0.047 0.000 2.348 355 S HA -0.081 4.389 4.470 -0.000 0.000 0.221 355 S C -0.463 174.179 174.600 0.070 0.000 1.033 355 S CA 1.737 59.986 58.200 0.082 0.000 1.010 355 S CB -0.722 62.544 63.200 0.111 0.000 0.891 355 S HN 0.473 nan 8.310 nan 0.000 0.442 356 P HA 0.266 nan 4.420 nan 0.000 0.221 356 P C 0.431 177.520 177.300 -0.351 0.000 1.155 356 P CA 0.974 64.031 63.100 -0.072 0.000 0.812 356 P CB -0.199 31.443 31.700 -0.096 0.000 0.801 357 G N -0.352 108.096 108.800 -0.586 0.000 3.251 357 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.680 357 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.680 357 G C -0.380 174.066 174.900 -0.757 0.000 1.129 357 G CA -0.798 43.981 45.100 -0.534 0.000 0.994 357 G HN 0.161 nan 8.290 nan 0.000 0.450 358 F N 1.534 121.492 119.950 0.013 0.000 2.850 358 F HA 0.430 4.957 4.527 -0.000 0.000 0.329 358 F C 1.049 176.846 175.800 -0.005 0.000 1.182 358 F CA -0.729 57.265 58.000 -0.009 0.000 1.270 358 F CB 0.790 39.786 39.000 -0.007 0.000 0.979 358 F HN 0.458 nan 8.300 nan 0.000 0.506 359 M N 1.820 121.466 119.600 0.077 0.000 2.200 359 M HA 0.199 4.678 4.480 -0.000 0.000 0.355 359 M C 0.028 176.377 176.300 0.081 0.000 1.283 359 M CA 0.238 55.587 55.300 0.081 0.000 1.124 359 M CB 0.448 33.063 32.600 0.025 0.000 1.625 359 M HN 0.036 nan 8.290 nan 0.000 0.463 360 N N 5.003 123.779 118.700 0.127 0.000 2.439 360 N HA 0.071 4.811 4.740 -0.000 0.000 0.243 360 N C 0.810 176.344 175.510 0.040 0.000 1.088 360 N CA -0.093 53.016 53.050 0.099 0.000 0.940 360 N CB 0.879 39.468 38.487 0.169 0.000 1.180 360 N HN 0.787 nan 8.380 nan 0.000 0.505 361 V N 3.751 123.665 119.914 -0.001 0.000 2.427 361 V HA 0.059 4.179 4.120 -0.000 0.000 0.248 361 V C -0.959 175.122 176.094 -0.021 0.000 1.051 361 V CA 0.865 63.158 62.300 -0.011 0.000 1.048 361 V CB -1.238 30.564 31.823 -0.035 0.000 0.666 361 V HN 0.489 nan 8.190 nan 0.000 0.456 362 P HA -0.035 nan 4.420 nan 0.000 0.229 362 P C 1.370 178.577 177.300 -0.155 0.000 1.160 362 P CA 1.341 64.372 63.100 -0.114 0.000 0.777 362 P CB 0.040 31.633 31.700 -0.179 0.000 0.814 363 K N -0.459 119.875 120.400 -0.111 0.000 2.352 363 K HA 0.221 4.541 4.320 -0.000 0.000 0.194 363 K C 0.702 177.244 176.600 -0.096 0.000 1.038 363 K CA -0.043 56.178 56.287 -0.110 0.000 1.023 363 K CB -0.083 32.386 32.500 -0.053 0.000 0.840 363 K HN -0.090 nan 8.250 nan 0.000 0.519 364 I N 1.540 122.074 120.570 -0.060 0.000 6.521 364 I HA -0.360 3.810 4.170 -0.000 0.000 0.126 364 I C -1.221 174.898 176.117 0.004 0.000 1.822 364 I CA 0.826 62.106 61.300 -0.034 0.000 2.063 364 I CB -1.463 36.502 38.000 -0.059 0.000 3.493 364 I HN 0.120 nan 8.210 nan 0.000 0.177 365 K N 1.035 121.473 120.400 0.062 0.000 2.507 365 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 365 K C 0.682 177.457 176.600 0.293 0.000 0.943 365 K CA 0.010 56.383 56.287 0.144 0.000 0.794 365 K CB 2.208 34.739 32.500 0.051 0.000 1.188 365 K HN 0.240 nan 8.250 nan 0.000 0.428 366 G N 0.767 109.719 108.800 0.254 0.000 3.581 366 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.248 366 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.248 366 G C 0.727 175.758 174.900 0.220 0.000 1.037 366 G CA -0.039 45.188 45.100 0.212 0.000 0.902 366 G HN 0.517 nan 8.290 nan 0.000 0.512 367 T N 1.025 115.750 114.554 0.285 0.000 2.851 367 T HA -0.041 4.309 4.350 -0.000 0.000 0.262 367 T C 2.282 177.157 174.700 0.292 0.000 1.043 367 T CA 1.422 63.664 62.100 0.236 0.000 1.140 367 T CB -0.278 68.687 68.868 0.162 0.000 0.872 367 T HN 0.550 nan 8.240 nan 0.000 0.446 368 H N 1.945 121.126 119.070 0.185 0.000 2.353 368 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 368 H C 2.260 177.817 175.328 0.382 0.000 1.090 368 H CA 1.935 58.145 56.048 0.270 0.000 1.327 368 H CB -1.451 28.454 29.762 0.238 0.000 1.383 368 H HN 0.476 nan 8.280 nan 0.000 0.508 369 T N -1.305 113.047 114.554 -0.337 0.000 2.904 369 T HA 0.173 4.522 4.350 -0.000 0.000 0.267 369 T C 2.323 177.020 174.700 -0.005 0.000 1.059 369 T CA 1.142 63.113 62.100 -0.215 0.000 1.137 369 T CB -0.605 68.128 68.868 -0.225 0.000 0.879 369 T HN 0.494 nan 8.240 nan 0.000 0.467 370 A N 1.506 124.411 122.820 0.142 0.000 1.930 370 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 370 A C 2.480 180.171 177.584 0.179 0.000 1.175 370 A CA 1.304 53.481 52.037 0.233 0.000 0.627 370 A CB -0.721 18.414 19.000 0.225 0.000 0.815 370 A HN 0.512 nan 8.150 nan 0.000 0.443 371 M N -1.028 118.682 119.600 0.182 0.000 2.099 371 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 371 M C 2.274 178.658 176.300 0.140 0.000 1.067 371 M CA 2.003 57.419 55.300 0.193 0.000 1.124 371 M CB -0.234 32.526 32.600 0.267 0.000 1.353 371 M HN 0.318 nan 8.290 nan 0.000 0.410 372 K N 0.844 121.316 120.400 0.120 0.000 2.097 372 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 372 K C 1.960 178.529 176.600 -0.053 0.000 1.049 372 K CA 2.115 58.418 56.287 0.027 0.000 0.933 372 K CB -0.432 31.990 32.500 -0.130 0.000 0.717 372 K HN 0.387 nan 8.250 nan 0.000 0.442 373 S N -1.179 114.482 115.700 -0.065 0.000 2.402 373 S HA -0.039 4.430 4.470 -0.000 0.000 0.229 373 S C 2.209 176.869 174.600 0.101 0.000 1.021 373 S CA 0.956 59.168 58.200 0.021 0.000 0.974 373 S CB -0.852 62.356 63.200 0.012 0.000 0.800 373 S HN 0.390 nan 8.310 nan 0.000 0.484 374 G N 1.027 109.869 108.800 0.069 0.000 2.403 374 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 374 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 374 G C 1.458 176.351 174.900 -0.012 0.000 1.154 374 G CA 1.195 46.309 45.100 0.024 0.000 0.784 374 G HN 0.537 nan 8.290 nan 0.000 0.538 375 T N 1.367 115.927 114.554 0.010 0.000 2.777 375 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 375 T C 2.410 177.102 174.700 -0.013 0.000 1.040 375 T CA 0.784 62.878 62.100 -0.011 0.000 1.141 375 T CB -0.167 68.706 68.868 0.010 0.000 0.868 375 T HN 0.133 nan 8.240 nan 0.000 0.444 376 L N 0.617 121.850 121.223 0.017 0.000 2.072 376 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 376 L C 3.058 179.961 176.870 0.055 0.000 1.079 376 L CA 1.048 55.922 54.840 0.057 0.000 0.752 376 L CB -0.691 41.426 42.059 0.097 0.000 0.906 376 L HN 0.225 nan 8.230 nan 0.000 0.436 377 A N 0.234 122.991 122.820 -0.104 0.000 1.933 377 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 377 A C 2.533 179.997 177.584 -0.200 0.000 1.175 377 A CA 1.666 53.428 52.037 -0.458 0.000 0.628 377 A CB -0.537 17.925 19.000 -0.897 0.000 0.814 377 A HN 0.397 nan 8.150 nan 0.000 0.444 378 A N 0.023 122.774 122.820 -0.115 0.000 1.855 378 A HA -0.164 4.155 4.320 -0.000 0.000 0.215 378 A C 1.902 179.487 177.584 0.003 0.000 1.191 378 A CA 1.595 53.599 52.037 -0.055 0.000 0.613 378 A CB -0.636 18.326 19.000 -0.063 0.000 0.829 378 A HN 0.606 nan 8.150 nan 0.000 0.442 379 E N -0.157 120.041 120.200 -0.003 0.000 2.070 379 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 379 E C 2.322 178.964 176.600 0.071 0.000 1.004 379 E CA 1.489 57.908 56.400 0.033 0.000 0.805 379 E CB -0.229 29.480 29.700 0.016 0.000 0.744 379 E HN 0.536 nan 8.360 nan 0.000 0.451 380 S N 0.484 116.211 115.700 0.044 0.000 2.382 380 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 380 S C 2.000 176.619 174.600 0.031 0.000 1.027 380 S CA 0.741 58.966 58.200 0.042 0.000 0.991 380 S CB -0.115 63.123 63.200 0.062 0.000 0.823 380 S HN 0.182 nan 8.310 nan 0.000 0.469 381 I N 0.054 120.636 120.570 0.020 0.000 2.163 381 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 381 I C 2.038 178.189 176.117 0.056 0.000 1.081 381 I CA 1.227 62.534 61.300 0.011 0.000 1.353 381 I CB -0.341 37.650 38.000 -0.015 0.000 1.054 381 I HN 0.232 nan 8.210 nan 0.000 0.407 382 F N 1.762 121.684 119.950 -0.046 0.000 2.154 382 F HA -0.311 4.216 4.527 -0.000 0.000 0.301 382 F C 2.204 177.975 175.800 -0.048 0.000 1.087 382 F CA 2.099 60.077 58.000 -0.037 0.000 1.274 382 F CB -0.406 38.583 39.000 -0.018 0.000 1.009 382 F HN 0.084 nan 8.300 nan 0.000 0.485 383 N N -0.411 118.362 118.700 0.121 0.000 2.149 383 N HA -0.285 4.454 4.740 -0.000 0.000 0.188 383 N C 1.838 177.309 175.510 -0.066 0.000 1.019 383 N CA 1.331 54.391 53.050 0.017 0.000 0.857 383 N CB -0.197 38.310 38.487 0.033 0.000 0.997 383 N HN 0.447 nan 8.380 nan 0.000 0.426 384 Q N 0.003 119.768 119.800 -0.058 0.000 2.331 384 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 384 Q C 1.608 177.543 176.000 -0.108 0.000 0.944 384 Q CA 0.525 56.286 55.803 -0.071 0.000 0.892 384 Q CB 0.249 28.960 28.738 -0.045 0.000 0.983 384 Q HN 0.412 nan 8.270 nan 0.000 0.482 385 L N 0.004 121.131 121.223 -0.160 0.000 2.313 385 L HA -0.003 4.336 4.340 -0.000 0.000 0.214 385 L C 1.791 178.499 176.870 -0.270 0.000 1.119 385 L CA 1.252 55.971 54.840 -0.202 0.000 0.809 385 L CB -0.047 41.869 42.059 -0.238 0.000 0.933 385 L HN 0.288 nan 8.230 nan 0.000 0.449 386 T N -4.290 110.063 114.554 -0.335 0.000 3.278 386 T HA 0.253 4.603 4.350 -0.000 0.000 0.251 386 T C 0.587 175.175 174.700 -0.187 0.000 1.039 386 T CA -0.300 61.606 62.100 -0.323 0.000 0.935 386 T CB 0.159 68.769 68.868 -0.431 0.000 1.034 386 T HN 0.051 nan 8.240 nan 0.000 0.575 387 S N -0.229 115.388 115.700 -0.139 0.000 2.921 387 S HA 0.564 5.034 4.470 -0.000 0.000 0.315 387 S C 0.329 174.883 174.600 -0.078 0.000 1.087 387 S CA -0.960 57.183 58.200 -0.095 0.000 0.877 387 S CB 2.484 65.638 63.200 -0.077 0.000 1.340 387 S HN 0.340 nan 8.310 nan 0.000 0.622 388 E N 0.374 120.539 120.200 -0.059 0.000 3.076 388 E HA 0.255 4.604 4.350 -0.000 0.000 0.279 388 E C -0.782 175.792 176.600 -0.043 0.000 0.945 388 E CA -0.276 56.096 56.400 -0.047 0.000 1.046 388 E CB 0.050 29.727 29.700 -0.038 0.000 2.828 388 E HN 0.605 nan 8.360 nan 0.000 0.582 389 N N 1.711 120.389 118.700 -0.036 0.000 2.722 389 N HA -0.227 4.513 4.740 -0.000 0.000 0.274 389 N C -0.814 174.678 175.510 -0.030 0.000 0.987 389 N CA 0.153 53.184 53.050 -0.032 0.000 0.817 389 N CB -0.815 37.651 38.487 -0.035 0.000 0.921 389 N HN 0.098 nan 8.380 nan 0.000 0.565 390 L N 1.021 122.229 121.223 -0.026 0.000 2.500 390 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 390 L C 0.877 177.739 176.870 -0.013 0.000 1.149 390 L CA 1.087 55.914 54.840 -0.021 0.000 0.897 390 L CB 0.579 42.626 42.059 -0.020 0.000 1.178 390 L HN 0.232 nan 8.230 nan 0.000 0.473 391 Q N 2.493 122.289 119.800 -0.007 0.000 2.282 391 Q HA 0.620 4.960 4.340 -0.000 0.000 0.260 391 Q C -0.675 175.333 176.000 0.013 0.000 0.964 391 Q CA -0.342 55.464 55.803 0.005 0.000 0.880 391 Q CB 1.748 30.493 28.738 0.012 0.000 1.286 391 Q HN 0.822 nan 8.270 nan 0.000 0.445 392 S N 1.605 117.316 115.700 0.019 0.000 2.840 392 S HA 0.538 5.007 4.470 -0.000 0.000 0.307 392 S C -0.975 173.643 174.600 0.030 0.000 1.180 392 S CA -0.808 57.403 58.200 0.018 0.000 0.846 392 S CB 1.102 64.304 63.200 0.004 0.000 1.233 392 S HN 0.511 nan 8.310 nan 0.000 0.548 393 K N 0.753 121.163 120.400 0.017 0.000 4.007 393 K HA -0.100 4.220 4.320 -0.000 0.000 0.279 393 K C -0.643 175.980 176.600 0.039 0.000 0.919 393 K CA 1.484 57.782 56.287 0.018 0.000 0.800 393 K CB -2.309 30.201 32.500 0.016 0.000 1.572 393 K HN 1.431 nan 8.250 nan 0.000 0.443 394 T N -2.074 112.497 114.554 0.030 0.000 4.349 394 T HA 0.275 4.625 4.350 -0.000 0.000 0.404 394 T C 0.944 175.643 174.700 -0.002 0.000 0.993 394 T CA -0.522 61.608 62.100 0.050 0.000 1.025 394 T CB -0.151 68.768 68.868 0.085 0.000 1.219 394 T HN 0.041 nan 8.240 nan 0.000 0.451 395 I N 1.463 121.976 120.570 -0.095 0.000 2.493 395 I HA 0.149 4.319 4.170 -0.000 0.000 0.254 395 I C 1.806 177.898 176.117 -0.042 0.000 1.160 395 I CA 0.891 62.076 61.300 -0.192 0.000 1.445 395 I CB -0.243 37.375 38.000 -0.638 0.000 1.086 395 I HN 0.848 nan 8.210 nan 0.000 0.433 396 G N 1.329 110.179 108.800 0.082 0.000 2.372 396 G HA2 0.479 4.439 3.960 -0.000 0.000 0.283 396 G HA3 0.479 4.439 3.960 -0.000 0.000 0.283 396 G C -0.567 174.373 174.900 0.067 0.000 1.177 396 G CA -0.487 44.691 45.100 0.129 0.000 0.842 396 G HN -0.114 nan 8.290 nan 0.000 0.503 397 L N 1.262 122.509 121.223 0.039 0.000 2.461 397 L HA 0.195 4.534 4.340 -0.000 0.000 0.272 397 L C 0.760 177.661 176.870 0.052 0.000 1.197 397 L CA 0.244 55.105 54.840 0.034 0.000 0.836 397 L CB 0.647 42.709 42.059 0.005 0.000 1.105 397 L HN 0.654 nan 8.230 nan 0.000 0.477 398 H N 2.173 121.214 119.070 -0.048 0.000 2.697 398 H HA 0.359 4.915 4.556 -0.000 0.000 0.270 398 H C -0.802 174.491 175.328 -0.059 0.000 1.188 398 H CA -0.693 55.313 56.048 -0.069 0.000 1.322 398 H CB 0.807 30.553 29.762 -0.027 0.000 1.405 398 H HN 0.361 nan 8.280 nan 0.000 0.502 399 V N 5.639 125.589 119.914 0.060 0.000 1.973 399 V HA -0.081 4.039 4.120 -0.000 0.000 0.255 399 V C 1.787 177.880 176.094 -0.002 0.000 1.605 399 V CA 0.735 63.035 62.300 0.001 0.000 1.542 399 V CB -0.645 31.172 31.823 -0.009 0.000 1.504 399 V HN 0.861 nan 8.190 nan 0.000 0.505 400 T N -0.487 113.987 114.554 -0.133 0.000 2.929 400 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 400 T C 1.572 176.215 174.700 -0.094 0.000 1.085 400 T CA 1.183 63.179 62.100 -0.173 0.000 1.125 400 T CB -0.135 68.534 68.868 -0.332 0.000 0.874 400 T HN 0.669 nan 8.240 nan 0.000 0.494 401 E N 0.848 121.010 120.200 -0.063 0.000 2.267 401 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 401 E C 1.827 178.420 176.600 -0.013 0.000 0.998 401 E CA 1.030 57.400 56.400 -0.051 0.000 0.830 401 E CB -1.016 28.663 29.700 -0.036 0.000 0.751 401 E HN 0.818 nan 8.360 nan 0.000 0.491 402 Y N 1.875 122.118 120.300 -0.095 0.000 2.097 402 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 402 Y C 2.495 178.325 175.900 -0.117 0.000 1.152 402 Y CA 2.210 60.257 58.100 -0.088 0.000 1.136 402 Y CB 0.003 38.428 38.460 -0.060 0.000 0.975 402 Y HN 0.081 nan 8.280 nan 0.000 0.498 403 E N 0.013 119.980 120.200 -0.388 0.000 2.106 403 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 403 E C 1.641 177.973 176.600 -0.447 0.000 0.984 403 E CA 1.369 57.458 56.400 -0.518 0.000 0.806 403 E CB -0.065 29.456 29.700 -0.298 0.000 0.750 403 E HN 0.570 nan 8.360 nan 0.000 0.458 404 D N 0.479 120.700 120.400 -0.299 0.000 2.104 404 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 404 D C 1.619 177.743 176.300 -0.294 0.000 0.994 404 D CA 0.898 54.734 54.000 -0.273 0.000 0.830 404 D CB -0.383 40.311 40.800 -0.177 0.000 0.959 404 D HN 0.188 nan 8.370 nan 0.000 0.452 405 N N 0.427 118.986 118.700 -0.234 0.000 2.270 405 N HA -0.088 4.651 4.740 -0.000 0.000 0.181 405 N C 1.911 177.256 175.510 -0.275 0.000 1.016 405 N CA 0.151 53.081 53.050 -0.200 0.000 0.870 405 N CB -0.221 38.205 38.487 -0.100 0.000 0.979 405 N HN 0.135 nan 8.380 nan 0.000 0.431 406 L N 2.025 123.013 121.223 -0.392 0.000 2.056 406 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 406 L C 1.840 178.415 176.870 -0.491 0.000 1.078 406 L CA 1.681 56.254 54.840 -0.445 0.000 0.749 406 L CB -0.374 41.321 42.059 -0.608 0.000 0.901 406 L HN -0.034 nan 8.230 nan 0.000 0.433 407 K N -0.602 119.325 120.400 -0.789 0.000 2.281 407 K HA -0.108 4.211 4.320 -0.000 0.000 0.203 407 K C 1.148 177.398 176.600 -0.584 0.000 1.046 407 K CA 1.133 56.685 56.287 -1.225 0.000 0.938 407 K CB -0.184 31.604 32.500 -1.187 0.000 0.737 407 K HN 0.405 nan 8.250 nan 0.000 0.458 408 N N 0.708 119.200 118.700 -0.347 0.000 2.280 408 N HA -0.017 4.723 4.740 -0.000 0.000 0.192 408 N C 0.101 175.553 175.510 -0.097 0.000 1.109 408 N CA 0.132 53.076 53.050 -0.176 0.000 0.855 408 N CB 0.577 38.975 38.487 -0.147 0.000 0.974 408 N HN 0.131 nan 8.380 nan 0.000 0.482 409 S N -0.161 115.453 115.700 -0.142 0.000 2.693 409 S HA 0.196 4.666 4.470 -0.000 0.000 0.276 409 S C 1.509 176.051 174.600 -0.095 0.000 1.192 409 S CA -0.977 57.119 58.200 -0.173 0.000 0.994 409 S CB 0.639 63.612 63.200 -0.379 0.000 1.012 409 S HN 0.404 nan 8.310 nan 0.000 0.550 410 W N -0.057 121.288 121.300 0.075 0.000 2.421 410 W HA -0.037 4.622 4.660 -0.000 0.000 0.270 410 W C 1.096 177.691 176.519 0.127 0.000 1.233 410 W CA 0.583 57.987 57.345 0.100 0.000 1.226 410 W CB -1.665 27.848 29.460 0.088 0.000 1.121 410 W HN 0.384 nan 8.180 nan 0.000 0.579 411 V N 1.332 120.924 119.914 -0.537 0.000 2.287 411 V HA -0.339 3.780 4.120 -0.000 0.000 0.248 411 V C 2.481 178.618 176.094 0.071 0.000 1.053 411 V CA 2.491 64.556 62.300 -0.390 0.000 1.027 411 V CB -1.136 30.281 31.823 -0.677 0.000 0.646 411 V HN 0.358 nan 8.190 nan 0.000 0.447 412 W N 0.534 121.776 121.300 -0.097 0.000 2.355 412 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 412 W C 2.498 179.127 176.519 0.184 0.000 1.206 412 W CA 1.504 58.901 57.345 0.087 0.000 1.284 412 W CB -0.054 29.430 29.460 0.040 0.000 1.145 412 W HN 0.175 nan 8.180 nan 0.000 0.502 413 K N 0.490 121.086 120.400 0.327 0.000 2.217 413 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 413 K C 1.695 178.426 176.600 0.220 0.000 1.051 413 K CA 1.253 57.682 56.287 0.236 0.000 0.952 413 K CB -0.492 32.134 32.500 0.210 0.000 0.736 413 K HN 0.379 nan 8.250 nan 0.000 0.453 414 E N 0.864 121.218 120.200 0.258 0.000 2.047 414 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 414 E C 2.001 178.701 176.600 0.167 0.000 0.987 414 E CA 0.662 57.217 56.400 0.257 0.000 0.799 414 E CB 0.075 30.000 29.700 0.375 0.000 0.752 414 E HN 0.150 nan 8.360 nan 0.000 0.449 415 L N 0.010 121.315 121.223 0.137 0.000 2.093 415 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 415 L C 2.534 179.356 176.870 -0.079 0.000 1.085 415 L CA 1.040 55.932 54.840 0.088 0.000 0.755 415 L CB -0.561 41.586 42.059 0.147 0.000 0.904 415 L HN 0.271 nan 8.230 nan 0.000 0.435 416 Y N 1.284 121.362 120.300 -0.370 0.000 2.181 416 Y HA -0.296 4.254 4.550 -0.000 0.000 0.288 416 Y C 2.960 178.630 175.900 -0.384 0.000 1.146 416 Y CA 1.608 59.201 58.100 -0.845 0.000 1.164 416 Y CB -0.197 37.772 38.460 -0.817 0.000 0.982 416 Y HN 0.249 nan 8.280 nan 0.000 0.515 417 S N -0.537 115.110 115.700 -0.088 0.000 2.419 417 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 417 S C 1.474 176.104 174.600 0.051 0.000 1.016 417 S CA 1.185 59.392 58.200 0.012 0.000 0.974 417 S CB -1.107 62.215 63.200 0.203 0.000 0.786 417 S HN 0.443 nan 8.310 nan 0.000 0.492 418 V N -0.090 119.803 119.914 -0.035 0.000 3.214 418 V HA 0.412 4.532 4.120 -0.000 0.000 0.330 418 V C 1.996 178.020 176.094 -0.117 0.000 1.403 418 V CA 0.014 62.267 62.300 -0.078 0.000 1.143 418 V CB -0.606 31.132 31.823 -0.142 0.000 1.098 418 V HN 0.544 nan 8.190 nan 0.000 0.463 419 R N 1.042 121.415 120.500 -0.212 0.000 2.127 419 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 419 R C 1.120 177.326 176.300 -0.157 0.000 1.134 419 R CA 2.163 58.142 56.100 -0.201 0.000 0.975 419 R CB -0.489 29.577 30.300 -0.391 0.000 0.865 419 R HN 0.559 nan 8.270 nan 0.000 0.447 420 N N 0.630 119.246 118.700 -0.141 0.000 2.336 420 N HA 0.088 4.828 4.740 -0.000 0.000 0.189 420 N C 1.707 177.100 175.510 -0.196 0.000 1.113 420 N CA 0.358 53.319 53.050 -0.149 0.000 0.858 420 N CB 0.175 38.629 38.487 -0.055 0.000 0.970 420 N HN 0.315 nan 8.380 nan 0.000 0.471 421 I N 0.656 121.174 120.570 -0.086 0.000 2.142 421 I HA -0.200 3.969 4.170 -0.000 0.000 0.240 421 I C 2.610 178.642 176.117 -0.141 0.000 1.078 421 I CA 0.941 62.201 61.300 -0.067 0.000 1.343 421 I CB -0.113 37.865 38.000 -0.038 0.000 1.046 421 I HN 0.047 nan 8.210 nan 0.000 0.405 422 R N 0.616 121.026 120.500 -0.151 0.000 2.081 422 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 422 R C -0.281 175.808 176.300 -0.353 0.000 1.131 422 R CA 1.735 57.694 56.100 -0.235 0.000 0.960 422 R CB -1.472 28.680 30.300 -0.247 0.000 0.856 422 R HN 0.293 nan 8.270 nan 0.000 0.436 423 P HA -0.056 nan 4.420 nan 0.000 0.221 423 P C 1.102 178.081 177.300 -0.535 0.000 1.150 423 P CA 1.319 64.179 63.100 -0.401 0.000 0.800 423 P CB -0.072 31.496 31.700 -0.219 0.000 0.787 424 S N -1.974 113.447 115.700 -0.465 0.000 2.547 424 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 424 S C 1.553 175.993 174.600 -0.268 0.000 0.980 424 S CA 0.771 58.697 58.200 -0.456 0.000 0.941 424 S CB -1.800 60.913 63.200 -0.811 0.000 0.763 424 S HN 0.146 nan 8.310 nan 0.000 0.532 425 C N 1.874 120.963 119.300 -0.352 0.000 2.576 425 C HA 0.236 4.696 4.460 -0.000 0.000 0.267 425 C C 1.418 176.380 174.990 -0.046 0.000 1.364 425 C CA -0.363 58.561 59.018 -0.158 0.000 1.723 425 C CB -1.706 25.993 27.740 -0.069 0.000 1.778 425 C HN 0.637 nan 8.230 nan 0.000 0.572 426 H N 0.251 119.348 119.070 0.045 0.000 2.524 426 H HA 0.226 4.782 4.556 -0.000 0.000 0.280 426 H C 1.394 176.767 175.328 0.075 0.000 1.018 426 H CA 0.305 56.388 56.048 0.058 0.000 1.165 426 H CB -0.483 29.285 29.762 0.010 0.000 1.411 426 H HN 0.483 nan 8.280 nan 0.000 0.569 427 G N 0.252 109.158 108.800 0.177 0.000 2.563 427 G HA2 0.188 4.147 3.960 -0.000 0.000 0.283 427 G HA3 0.188 4.147 3.960 -0.000 0.000 0.283 427 G C 1.203 176.246 174.900 0.238 0.000 1.309 427 G CA -0.567 44.632 45.100 0.166 0.000 1.022 427 G HN 0.369 nan 8.290 nan 0.000 0.501 428 I N -0.953 119.743 120.570 0.211 0.000 2.567 428 I HA -0.010 4.160 4.170 -0.000 0.000 0.257 428 I C 1.631 177.933 176.117 0.307 0.000 1.184 428 I CA 0.879 62.342 61.300 0.272 0.000 1.451 428 I CB 0.058 38.163 38.000 0.175 0.000 1.089 428 I HN 0.250 nan 8.210 nan 0.000 0.441 429 L N 0.530 121.893 121.223 0.233 0.000 2.607 429 L HA 0.285 4.625 4.340 -0.000 0.000 0.228 429 L C 1.526 178.504 176.870 0.179 0.000 1.123 429 L CA 0.280 55.242 54.840 0.203 0.000 0.890 429 L CB -0.826 41.361 42.059 0.213 0.000 1.103 429 L HN 0.485 nan 8.230 nan 0.000 0.468 430 G N 1.387 110.306 108.800 0.199 0.000 2.634 430 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.309 430 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.309 430 G C 0.985 175.926 174.900 0.067 0.000 1.265 430 G CA 1.169 46.369 45.100 0.167 0.000 0.998 430 G HN 0.211 nan 8.290 nan 0.000 0.551 431 V N -2.462 117.404 119.914 -0.079 0.000 2.720 431 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 431 V C 2.322 178.281 176.094 -0.224 0.000 1.082 431 V CA 2.729 64.927 62.300 -0.171 0.000 1.101 431 V CB -1.062 30.572 31.823 -0.314 0.000 0.693 431 V HN 0.712 nan 8.190 nan 0.000 0.479 432 Y N 2.169 122.521 120.300 0.086 0.000 2.457 432 Y HA 0.270 4.820 4.550 -0.000 0.000 0.292 432 Y C 2.702 178.672 175.900 0.116 0.000 1.125 432 Y CA 0.973 59.129 58.100 0.094 0.000 1.254 432 Y CB -0.662 37.840 38.460 0.071 0.000 1.012 432 Y HN 0.334 nan 8.280 nan 0.000 0.555 433 G N -0.267 108.663 108.800 0.217 0.000 2.421 433 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 433 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 433 G C 1.945 176.972 174.900 0.211 0.000 1.143 433 G CA 0.750 45.976 45.100 0.211 0.000 0.784 433 G HN 0.481 nan 8.290 nan 0.000 0.541 434 G N 0.817 109.703 108.800 0.144 0.000 2.408 434 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 434 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 434 G C 1.859 176.875 174.900 0.194 0.000 1.150 434 G CA 0.809 45.988 45.100 0.131 0.000 0.776 434 G HN 0.404 nan 8.290 nan 0.000 0.542 435 M N -0.063 119.638 119.600 0.167 0.000 2.132 435 M HA 0.085 4.565 4.480 -0.000 0.000 0.263 435 M C 2.549 178.967 176.300 0.197 0.000 1.065 435 M CA 1.106 56.506 55.300 0.166 0.000 1.122 435 M CB -0.344 32.364 32.600 0.179 0.000 1.365 435 M HN 0.179 nan 8.290 nan 0.000 0.411 436 I N -1.018 119.686 120.570 0.223 0.000 2.226 436 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 436 I C 2.481 178.756 176.117 0.263 0.000 1.100 436 I CA 1.501 62.928 61.300 0.212 0.000 1.374 436 I CB -0.497 37.627 38.000 0.206 0.000 1.057 436 I HN 0.223 nan 8.210 nan 0.000 0.413 437 Y N 1.609 122.039 120.300 0.217 0.000 2.274 437 Y HA -0.274 4.276 4.550 -0.000 0.000 0.290 437 Y C 2.640 178.739 175.900 0.332 0.000 1.145 437 Y CA 1.994 60.289 58.100 0.326 0.000 1.203 437 Y CB -0.218 38.422 38.460 0.301 0.000 0.984 437 Y HN 0.068 nan 8.280 nan 0.000 0.533 438 T N -0.700 114.117 114.554 0.438 0.000 2.821 438 T HA -0.107 4.242 4.350 -0.000 0.000 0.267 438 T C 1.960 176.839 174.700 0.298 0.000 1.046 438 T CA 1.237 63.548 62.100 0.352 0.000 1.139 438 T CB -0.784 68.203 68.868 0.198 0.000 0.871 438 T HN 0.577 nan 8.240 nan 0.000 0.454 439 G N 0.793 109.722 108.800 0.216 0.000 2.443 439 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.219 439 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.219 439 G C 1.431 176.481 174.900 0.250 0.000 1.131 439 G CA 0.327 45.564 45.100 0.229 0.000 0.775 439 G HN 0.468 nan 8.290 nan 0.000 0.547 440 I N -0.943 119.665 120.570 0.063 0.000 2.368 440 I HA 0.129 4.299 4.170 -0.000 0.000 0.238 440 I C 2.040 178.043 176.117 -0.190 0.000 1.076 440 I CA 0.635 61.830 61.300 -0.176 0.000 1.397 440 I CB -0.151 37.548 38.000 -0.503 0.000 1.141 440 I HN 0.046 nan 8.210 nan 0.000 0.430 441 F N -1.205 118.750 119.950 0.009 0.000 2.710 441 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 441 F C 1.938 177.803 175.800 0.108 0.000 1.137 441 F CA 0.640 58.651 58.000 0.017 0.000 1.444 441 F CB -0.032 38.712 39.000 -0.428 0.000 1.111 441 F HN 0.065 nan 8.300 nan 0.000 0.580 442 Y N -1.577 118.842 120.300 0.198 0.000 2.583 442 Y HA -0.013 4.537 4.550 -0.000 0.000 0.270 442 Y C 2.104 178.086 175.900 0.137 0.000 1.113 442 Y CA 0.121 58.319 58.100 0.164 0.000 1.307 442 Y CB -0.881 37.681 38.460 0.170 0.000 1.369 442 Y HN 0.007 nan 8.280 nan 0.000 0.506 443 W N 1.577 122.924 121.300 0.079 0.000 2.321 443 W HA -0.250 4.409 4.660 -0.000 0.000 0.306 443 W C 1.587 177.989 176.519 -0.196 0.000 1.217 443 W CA 2.774 60.094 57.345 -0.043 0.000 1.257 443 W CB -0.433 29.029 29.460 0.002 0.000 1.145 443 W HN 0.211 nan 8.180 nan 0.000 0.509 444 I N -1.877 118.471 120.570 -0.371 0.000 2.628 444 I HA -0.110 4.060 4.170 -0.000 0.000 0.255 444 I C 1.368 177.019 176.117 -0.776 0.000 1.119 444 I CA 0.690 61.515 61.300 -0.790 0.000 1.448 444 I CB -0.369 37.105 38.000 -0.876 0.000 1.133 444 I HN -0.244 nan 8.210 nan 0.000 0.438 445 F N 0.781 120.579 119.950 -0.253 0.000 2.664 445 F HA 0.256 4.783 4.527 -0.000 0.000 0.303 445 F C 0.456 176.120 175.800 -0.226 0.000 1.092 445 F CA -0.461 57.419 58.000 -0.200 0.000 1.305 445 F CB 0.262 39.201 39.000 -0.102 0.000 1.054 445 F HN -0.152 nan 8.300 nan 0.000 0.565 446 R N 0.535 120.882 120.500 -0.255 0.000 3.484 446 R HA -0.236 4.104 4.340 -0.000 0.000 0.260 446 R C 1.194 177.362 176.300 -0.220 0.000 1.053 446 R CA 0.581 56.390 56.100 -0.485 0.000 0.703 446 R CB -2.788 27.309 30.300 -0.340 0.000 1.089 446 R HN 0.635 nan 8.270 nan 0.000 0.459 447 G N -0.457 108.324 108.800 -0.031 0.000 2.221 447 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.265 447 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.265 447 G C 0.894 175.754 174.900 -0.067 0.000 1.041 447 G CA 0.610 45.723 45.100 0.021 0.000 0.807 447 G HN 0.456 nan 8.290 nan 0.000 0.502 448 M N 0.112 119.683 119.600 -0.048 0.000 2.506 448 M HA 0.093 4.573 4.480 -0.000 0.000 0.260 448 M C 1.254 177.418 176.300 -0.227 0.000 1.104 448 M CA 0.752 56.007 55.300 -0.074 0.000 1.112 448 M CB -0.273 32.319 32.600 -0.015 0.000 1.401 448 M HN 0.594 nan 8.290 nan 0.000 0.473 449 E N 3.097 123.043 120.200 -0.422 0.000 2.892 449 E HA -0.131 4.218 4.350 -0.000 0.000 0.273 449 E C -1.962 174.173 176.600 -0.775 0.000 0.921 449 E CA -0.568 55.292 56.400 -0.901 0.000 0.968 449 E CB -0.649 28.131 29.700 -1.533 0.000 0.941 449 E HN 0.193 nan 8.360 nan 0.000 0.492 450 P HA 0.062 nan 4.420 nan 0.000 0.226 450 P C -1.360 175.971 177.300 0.053 0.000 1.758 450 P CA 0.071 63.072 63.100 -0.164 0.000 0.896 450 P CB -0.834 30.861 31.700 -0.009 0.000 1.784 451 W N -2.041 119.229 121.300 -0.049 0.000 3.057 451 W HA 0.559 5.219 4.660 -0.000 0.000 0.328 451 W C -1.954 174.514 176.519 -0.084 0.000 1.232 451 W CA -0.850 56.462 57.345 -0.055 0.000 1.187 451 W CB -0.156 29.255 29.460 -0.081 0.000 1.417 451 W HN -0.342 nan 8.180 nan 0.000 0.569 452 T N 3.115 117.831 114.554 0.269 0.000 2.840 452 T HA 0.543 4.892 4.350 -0.000 0.000 0.287 452 T C -0.197 174.574 174.700 0.118 0.000 0.991 452 T CA -0.600 61.567 62.100 0.111 0.000 0.964 452 T CB 0.749 69.654 68.868 0.062 0.000 0.954 452 T HN 0.464 nan 8.240 nan 0.000 0.438 453 L N 2.838 124.098 121.223 0.062 0.000 2.453 453 L HA 0.460 4.800 4.340 -0.000 0.000 0.261 453 L C 0.681 177.461 176.870 -0.151 0.000 1.179 453 L CA -0.548 54.264 54.840 -0.048 0.000 0.813 453 L CB 0.485 42.478 42.059 -0.110 0.000 1.110 453 L HN 0.428 nan 8.230 nan 0.000 0.466 454 K N 0.257 120.569 120.400 -0.147 0.000 2.185 454 K HA 0.462 4.782 4.320 -0.000 0.000 0.240 454 K C -0.756 175.736 176.600 -0.179 0.000 0.983 454 K CA -0.991 55.175 56.287 -0.202 0.000 0.873 454 K CB 1.250 33.695 32.500 -0.091 0.000 1.118 454 K HN 0.396 nan 8.250 nan 0.000 0.441 455 H N 0.963 120.040 119.070 0.011 0.000 2.509 455 H HA 0.120 4.675 4.556 -0.000 0.000 0.359 455 H C 0.199 175.500 175.328 -0.044 0.000 1.253 455 H CA -0.177 55.887 56.048 0.027 0.000 1.373 455 H CB 0.983 30.733 29.762 -0.021 0.000 1.555 455 H HN 0.414 nan 8.280 nan 0.000 0.586 456 K N 0.355 120.743 120.400 -0.019 0.000 2.505 456 K HA 0.261 4.581 4.320 -0.000 0.000 0.192 456 K C 0.901 177.455 176.600 -0.076 0.000 1.025 456 K CA 0.320 56.532 56.287 -0.126 0.000 1.086 456 K CB 0.475 32.800 32.500 -0.291 0.000 0.840 456 K HN 0.846 nan 8.250 nan 0.000 0.514 457 G N -0.275 108.509 108.800 -0.027 0.000 2.337 457 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.197 457 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.197 457 G C -1.030 173.840 174.900 -0.052 0.000 1.238 457 G CA -0.811 44.268 45.100 -0.035 0.000 1.119 457 G HN 0.020 nan 8.290 nan 0.000 0.514 458 S N 0.965 116.632 115.700 -0.055 0.000 2.545 458 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 458 S C 0.917 175.462 174.600 -0.092 0.000 1.299 458 S CA -0.021 58.145 58.200 -0.056 0.000 1.048 458 S CB 1.467 64.641 63.200 -0.045 0.000 0.938 458 S HN 0.504 nan 8.310 nan 0.000 0.496 459 D N 2.361 122.706 120.400 -0.093 0.000 2.158 459 D HA -0.134 4.505 4.640 -0.000 0.000 0.197 459 D C 2.126 178.299 176.300 -0.212 0.000 0.995 459 D CA 1.692 55.602 54.000 -0.150 0.000 0.846 459 D CB -0.461 40.261 40.800 -0.131 0.000 0.941 459 D HN 0.639 nan 8.370 nan 0.000 0.456 460 S N 0.847 116.432 115.700 -0.192 0.000 2.400 460 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 460 S C 0.979 175.461 174.600 -0.197 0.000 1.025 460 S CA 1.095 59.167 58.200 -0.214 0.000 0.993 460 S CB -0.248 62.855 63.200 -0.162 0.000 0.808 460 S HN 0.301 nan 8.310 nan 0.000 0.478 461 D N 0.248 120.561 120.400 -0.145 0.000 2.587 461 D HA 0.205 4.845 4.640 -0.000 0.000 0.233 461 D C 0.593 176.823 176.300 -0.118 0.000 1.213 461 D CA -0.093 53.835 54.000 -0.120 0.000 0.827 461 D CB 0.264 41.022 40.800 -0.070 0.000 1.006 461 D HN 0.267 nan 8.370 nan 0.000 0.490 462 Q N 0.218 119.922 119.800 -0.161 0.000 2.319 462 Q HA 0.259 4.599 4.340 -0.000 0.000 0.209 462 Q C 0.443 176.366 176.000 -0.128 0.000 0.884 462 Q CA 0.020 55.739 55.803 -0.141 0.000 0.938 462 Q CB 0.538 29.175 28.738 -0.168 0.000 1.098 462 Q HN 0.366 nan 8.270 nan 0.000 0.517 463 L N 1.347 122.464 121.223 -0.177 0.000 2.416 463 L HA 0.156 4.495 4.340 -0.000 0.000 0.272 463 L C 0.287 177.187 176.870 0.051 0.000 1.161 463 L CA 0.159 54.922 54.840 -0.128 0.000 0.845 463 L CB 0.724 42.584 42.059 -0.332 0.000 1.119 463 L HN -0.019 nan 8.230 nan 0.000 0.464 464 K N 3.684 124.155 120.400 0.117 0.000 2.106 464 K HA 0.429 4.749 4.320 -0.000 0.000 0.246 464 K C -2.385 174.356 176.600 0.236 0.000 0.987 464 K CA -1.737 54.642 56.287 0.154 0.000 0.904 464 K CB 0.910 33.473 32.500 0.105 0.000 1.071 464 K HN 0.260 nan 8.250 nan 0.000 0.453 465 P HA 0.011 nan 4.420 nan 0.000 0.275 465 P C -0.223 177.078 177.300 0.002 0.000 1.228 465 P CA 0.115 63.193 63.100 -0.037 0.000 0.786 465 P CB 0.882 32.516 31.700 -0.110 0.000 0.927 466 A N 4.524 127.305 122.820 -0.064 0.000 1.940 466 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 466 A C 1.762 179.412 177.584 0.110 0.000 1.176 466 A CA 1.673 53.680 52.037 -0.050 0.000 0.631 466 A CB -1.077 17.822 19.000 -0.167 0.000 0.814 466 A HN 0.665 nan 8.150 nan 0.000 0.446 467 K N -0.743 119.681 120.400 0.040 0.000 2.209 467 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 467 K C 0.310 176.949 176.600 0.065 0.000 1.048 467 K CA 1.526 57.846 56.287 0.055 0.000 0.940 467 K CB -0.337 32.167 32.500 0.007 0.000 0.729 467 K HN 0.315 nan 8.250 nan 0.000 0.451 468 D N 0.620 121.057 120.400 0.062 0.000 2.348 468 D HA 0.053 4.693 4.640 -0.000 0.000 0.211 468 D C 0.520 176.878 176.300 0.097 0.000 0.998 468 D CA 0.182 54.221 54.000 0.065 0.000 0.873 468 D CB 0.007 40.836 40.800 0.048 0.000 0.925 468 D HN 0.196 nan 8.370 nan 0.000 0.524 469 C N -0.064 119.326 119.300 0.151 0.000 2.407 469 C HA 0.610 5.070 4.460 -0.000 0.000 0.366 469 C C 0.498 175.622 174.990 0.222 0.000 1.213 469 C CA -0.672 58.467 59.018 0.201 0.000 2.011 469 C CB 1.817 29.712 27.740 0.258 0.000 2.306 469 C HN 0.036 nan 8.230 nan 0.000 0.527 470 T N 2.796 117.446 114.554 0.160 0.000 2.771 470 T HA 0.392 4.742 4.350 -0.000 0.000 0.281 470 T C -2.538 172.104 174.700 -0.096 0.000 0.982 470 T CA -0.447 61.663 62.100 0.017 0.000 0.978 470 T CB 1.050 69.918 68.868 -0.000 0.000 0.930 470 T HN 0.467 nan 8.240 nan 0.000 0.447 471 P HA 0.195 nan 4.420 nan 0.000 0.268 471 P C -0.541 176.574 177.300 -0.308 0.000 1.208 471 P CA -0.238 62.388 63.100 -0.791 0.000 0.777 471 P CB 0.455 31.596 31.700 -0.932 0.000 0.875 472 I N 2.010 122.439 120.570 -0.235 0.000 2.336 472 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 472 I C 0.763 176.609 176.117 -0.452 0.000 0.991 472 I CA -0.577 60.509 61.300 -0.358 0.000 1.227 472 I CB 0.963 38.653 38.000 -0.517 0.000 1.366 472 I HN 0.140 nan 8.210 nan 0.000 0.466 473 E N 6.705 126.691 120.200 -0.357 0.000 1.941 473 E HA 0.187 4.537 4.350 -0.000 0.000 0.275 473 E C -1.109 175.349 176.600 -0.236 0.000 1.113 473 E CA -0.190 56.073 56.400 -0.229 0.000 0.878 473 E CB 0.315 29.939 29.700 -0.127 0.000 1.070 473 E HN 0.306 nan 8.360 nan 0.000 0.399 474 Y N 2.829 123.118 120.300 -0.018 0.000 2.299 474 Y HA 0.215 4.765 4.550 -0.000 0.000 0.326 474 Y C -1.296 174.581 175.900 -0.039 0.000 1.164 474 Y CA -1.953 56.129 58.100 -0.029 0.000 1.234 474 Y CB 0.284 38.734 38.460 -0.016 0.000 1.219 474 Y HN 0.346 nan 8.280 nan 0.000 0.497 475 P HA 0.146 nan 4.420 nan 0.000 0.274 475 P C -1.295 176.000 177.300 -0.008 0.000 1.237 475 P CA -0.761 62.338 63.100 -0.002 0.000 0.793 475 P CB 0.699 32.343 31.700 -0.093 0.000 0.977 476 K N 2.309 122.692 120.400 -0.028 0.000 2.298 476 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 476 K C -1.869 174.697 176.600 -0.057 0.000 1.032 476 K CA -1.436 54.840 56.287 -0.018 0.000 0.958 476 K CB -0.394 32.099 32.500 -0.011 0.000 0.978 476 K HN 0.460 nan 8.250 nan 0.000 0.472 477 P HA -0.035 nan 4.420 nan 0.000 0.269 477 P C -0.467 176.791 177.300 -0.070 0.000 1.215 477 P CA -0.015 63.044 63.100 -0.068 0.000 0.780 477 P CB 0.604 32.291 31.700 -0.021 0.000 0.898 478 D N -0.115 120.229 120.400 -0.094 0.000 2.369 478 D HA 0.096 4.736 4.640 -0.000 0.000 0.211 478 D C 1.342 177.588 176.300 -0.090 0.000 1.077 478 D CA 0.247 54.209 54.000 -0.064 0.000 0.842 478 D CB -0.506 40.291 40.800 -0.006 0.000 0.947 478 D HN 0.627 nan 8.370 nan 0.000 0.509 479 G N 0.449 109.147 108.800 -0.170 0.000 2.189 479 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 479 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 479 G C 0.995 175.837 174.900 -0.097 0.000 0.975 479 G CA 0.879 45.932 45.100 -0.078 0.000 0.644 479 G HN 0.484 nan 8.290 nan 0.000 0.537 480 Q N -1.510 118.140 119.800 -0.249 0.000 2.586 480 Q HA 0.392 4.731 4.340 -0.000 0.000 0.243 480 Q C 2.191 178.106 176.000 -0.142 0.000 0.846 480 Q CA 0.714 56.471 55.803 -0.078 0.000 0.959 480 Q CB 0.252 28.984 28.738 -0.010 0.000 1.227 480 Q HN 0.469 nan 8.270 nan 0.000 0.611 481 I N 0.807 121.182 120.570 -0.326 0.000 3.172 481 I HA 0.001 4.171 4.170 -0.000 0.000 0.278 481 I C 0.510 176.346 176.117 -0.468 0.000 1.174 481 I CA 0.498 61.621 61.300 -0.294 0.000 1.445 481 I CB 0.762 38.413 38.000 -0.581 0.000 1.175 481 I HN -0.044 nan 8.210 nan 0.000 0.447 482 S N 0.106 115.459 115.700 -0.577 0.000 2.482 482 S HA 0.760 5.230 4.470 -0.000 0.000 0.303 482 S C -0.676 173.466 174.600 -0.763 0.000 1.091 482 S CA -0.575 57.334 58.200 -0.486 0.000 1.057 482 S CB 1.410 64.562 63.200 -0.080 0.000 1.031 482 S HN -0.024 nan 8.310 nan 0.000 0.485 483 F N 0.667 120.621 119.950 0.008 0.000 2.631 483 F HA 0.507 5.033 4.527 -0.000 0.000 0.328 483 F C 0.518 176.404 175.800 0.145 0.000 1.067 483 F CA -1.153 56.879 58.000 0.053 0.000 0.969 483 F CB 0.936 39.955 39.000 0.033 0.000 1.332 483 F HN 0.665 nan 8.300 nan 0.000 0.490 484 D N 0.220 120.816 120.400 0.327 0.000 2.433 484 D HA 0.106 4.746 4.640 -0.000 0.000 0.255 484 D C 0.915 177.294 176.300 0.131 0.000 1.226 484 D CA -0.357 53.792 54.000 0.248 0.000 1.015 484 D CB 1.183 42.049 40.800 0.110 0.000 1.091 484 D HN 0.406 nan 8.370 nan 0.000 0.527 485 L N -0.083 121.034 121.223 -0.177 0.000 2.056 485 L HA -0.075 4.264 4.340 -0.000 0.000 0.207 485 L C 2.393 179.062 176.870 -0.336 0.000 1.078 485 L CA 1.262 55.744 54.840 -0.597 0.000 0.749 485 L CB -0.822 40.886 42.059 -0.585 0.000 0.901 485 L HN 0.493 nan 8.230 nan 0.000 0.433 486 L N -1.013 120.107 121.223 -0.171 0.000 2.012 486 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 486 L C 2.676 179.485 176.870 -0.103 0.000 1.073 486 L CA 1.683 56.456 54.840 -0.110 0.000 0.748 486 L CB -0.962 41.063 42.059 -0.057 0.000 0.891 486 L HN 0.467 nan 8.230 nan 0.000 0.431 487 S N -1.253 114.397 115.700 -0.083 0.000 2.382 487 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 487 S C 2.094 176.592 174.600 -0.169 0.000 1.027 487 S CA 1.360 59.504 58.200 -0.093 0.000 0.991 487 S CB -0.456 62.711 63.200 -0.054 0.000 0.823 487 S HN 0.327 nan 8.310 nan 0.000 0.469 488 S N 1.599 117.142 115.700 -0.262 0.000 2.356 488 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 488 S C 1.970 176.386 174.600 -0.307 0.000 1.032 488 S CA 1.337 59.226 58.200 -0.519 0.000 1.005 488 S CB -0.717 61.839 63.200 -1.073 0.000 0.867 488 S HN 0.441 nan 8.310 nan 0.000 0.449 489 V N 2.074 121.863 119.914 -0.208 0.000 2.392 489 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 489 V C 2.609 178.731 176.094 0.048 0.000 1.059 489 V CA 1.634 63.940 62.300 0.009 0.000 1.051 489 V CB -1.241 30.572 31.823 -0.017 0.000 0.658 489 V HN 0.547 nan 8.190 nan 0.000 0.455 490 A N -0.114 122.700 122.820 -0.010 0.000 1.933 490 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 490 A C 2.014 179.611 177.584 0.022 0.000 1.175 490 A CA 1.439 53.477 52.037 0.001 0.000 0.628 490 A CB -0.493 18.490 19.000 -0.028 0.000 0.814 490 A HN 0.534 nan 8.150 nan 0.000 0.444 491 L N 0.847 122.082 121.223 0.020 0.000 2.650 491 L HA -0.030 4.310 4.340 -0.000 0.000 0.235 491 L C 2.090 179.062 176.870 0.169 0.000 1.149 491 L CA 0.890 55.760 54.840 0.050 0.000 0.887 491 L CB -0.366 41.683 42.059 -0.017 0.000 1.021 491 L HN 0.589 nan 8.230 nan 0.000 0.441 492 S N -1.652 114.177 115.700 0.216 0.000 2.502 492 S HA 0.132 4.602 4.470 -0.000 0.000 0.215 492 S C 1.627 176.306 174.600 0.132 0.000 1.009 492 S CA 0.380 58.755 58.200 0.292 0.000 0.908 492 S CB 0.519 63.931 63.200 0.354 0.000 0.801 492 S HN 0.437 nan 8.310 nan 0.000 0.505 493 G N 1.426 110.271 108.800 0.076 0.000 2.203 493 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 493 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 493 G C 0.154 175.033 174.900 -0.035 0.000 1.012 493 G CA 0.685 45.795 45.100 0.018 0.000 0.749 493 G HN 0.810 nan 8.290 nan 0.000 0.512 494 T N 0.960 115.495 114.554 -0.032 0.000 2.907 494 T HA 0.515 4.865 4.350 -0.000 0.000 0.298 494 T C 0.282 174.963 174.700 -0.031 0.000 1.017 494 T CA 0.421 62.470 62.100 -0.086 0.000 1.118 494 T CB 0.138 68.991 68.868 -0.026 0.000 0.948 494 T HN 0.978 nan 8.240 nan 0.000 0.531 495 N N 2.655 121.271 118.700 -0.141 0.000 2.935 495 N HA 0.268 5.008 4.740 -0.000 0.000 0.248 495 N C -1.964 173.399 175.510 -0.246 0.000 1.276 495 N CA -0.854 52.176 53.050 -0.032 0.000 0.906 495 N CB 1.369 39.855 38.487 -0.002 0.000 1.564 495 N HN 0.579 nan 8.380 nan 0.000 0.500 496 H N -0.851 118.277 119.070 0.097 0.000 2.980 496 H HA 0.297 4.853 4.556 -0.000 0.000 0.367 496 H C -1.144 174.240 175.328 0.094 0.000 1.206 496 H CA -0.650 55.457 56.048 0.100 0.000 1.126 496 H CB 1.421 31.268 29.762 0.143 0.000 1.838 496 H HN 0.694 nan 8.280 nan 0.000 0.552 497 E N 0.748 121.058 120.200 0.184 0.000 2.415 497 E HA -0.022 4.328 4.350 -0.000 0.000 0.260 497 E C 0.127 176.848 176.600 0.202 0.000 1.016 497 E CA 0.619 57.079 56.400 0.101 0.000 0.924 497 E CB 0.063 29.811 29.700 0.079 0.000 0.961 497 E HN 0.700 nan 8.360 nan 0.000 0.459 498 H N 2.613 121.722 119.070 0.066 0.000 2.387 498 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 498 H C 0.235 175.585 175.328 0.038 0.000 1.090 498 H CA 0.870 56.947 56.048 0.048 0.000 1.332 498 H CB 0.382 30.162 29.762 0.031 0.000 1.386 498 H HN 0.475 nan 8.280 nan 0.000 0.516 499 D N 1.290 121.789 120.400 0.165 0.000 2.713 499 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 499 D C -0.439 175.919 176.300 0.096 0.000 1.136 499 D CA -0.131 53.932 54.000 0.105 0.000 1.010 499 D CB -0.184 40.663 40.800 0.078 0.000 1.084 499 D HN 0.487 nan 8.370 nan 0.000 0.495 500 Q N 0.324 120.182 119.800 0.098 0.000 2.435 500 Q HA 0.528 4.868 4.340 -0.000 0.000 0.282 500 Q C -3.079 172.969 176.000 0.079 0.000 1.020 500 Q CA -1.969 53.895 55.803 0.101 0.000 0.820 500 Q CB 2.248 31.055 28.738 0.116 0.000 1.436 500 Q HN -0.084 nan 8.270 nan 0.000 0.395 501 P HA 0.074 nan 4.420 nan 0.000 0.269 501 P C -0.491 176.845 177.300 0.059 0.000 1.209 501 P CA 0.143 63.276 63.100 0.056 0.000 0.776 501 P CB 0.670 32.394 31.700 0.041 0.000 0.876 502 A N 3.006 125.821 122.820 -0.008 0.000 2.546 502 A HA -0.000 4.319 4.320 -0.000 0.000 0.243 502 A C 1.475 178.957 177.584 -0.171 0.000 1.063 502 A CA -0.091 51.871 52.037 -0.124 0.000 0.757 502 A CB -0.584 18.311 19.000 -0.174 0.000 0.991 502 A HN 0.781 nan 8.150 nan 0.000 0.503 503 H N 2.171 121.052 119.070 -0.314 0.000 2.548 503 H HA 0.127 4.682 4.556 -0.000 0.000 0.265 503 H C -0.358 174.596 175.328 -0.623 0.000 0.969 503 H CA -0.139 55.563 56.048 -0.577 0.000 1.155 503 H CB -0.118 29.170 29.762 -0.789 0.000 1.394 503 H HN 0.356 nan 8.280 nan 0.000 0.570 504 L N 4.157 124.950 121.223 -0.716 0.000 2.328 504 L HA 0.166 4.506 4.340 -0.000 0.000 0.280 504 L C 0.566 177.324 176.870 -0.185 0.000 1.111 504 L CA 0.038 54.655 54.840 -0.371 0.000 0.909 504 L CB 0.080 41.984 42.059 -0.258 0.000 1.277 504 L HN 0.242 nan 8.230 nan 0.000 0.433 505 T N 1.276 115.724 114.554 -0.176 0.000 2.909 505 T HA 0.693 5.043 4.350 -0.000 0.000 0.286 505 T C 0.073 174.753 174.700 -0.033 0.000 1.002 505 T CA -0.681 61.358 62.100 -0.103 0.000 1.074 505 T CB 1.605 70.378 68.868 -0.157 0.000 0.984 505 T HN 0.281 nan 8.240 nan 0.000 0.495 506 L N 2.630 123.850 121.223 -0.006 0.000 2.334 506 L HA 0.485 4.825 4.340 -0.000 0.000 0.276 506 L C 1.330 178.191 176.870 -0.015 0.000 1.014 506 L CA -1.076 53.767 54.840 0.005 0.000 0.815 506 L CB 1.872 43.948 42.059 0.029 0.000 1.268 506 L HN 0.773 nan 8.230 nan 0.000 0.428 507 K N 0.129 120.515 120.400 -0.023 0.000 2.262 507 K HA 0.044 4.363 4.320 -0.000 0.000 0.200 507 K C -0.159 176.419 176.600 -0.036 0.000 1.049 507 K CA 0.610 56.868 56.287 -0.048 0.000 0.979 507 K CB 0.280 32.757 32.500 -0.039 0.000 0.773 507 K HN 0.457 nan 8.250 nan 0.000 0.474 508 D N 0.406 120.804 120.400 -0.002 0.000 2.602 508 D HA 0.060 4.700 4.640 -0.000 0.000 0.245 508 D C -0.595 175.728 176.300 0.039 0.000 1.325 508 D CA -0.242 53.769 54.000 0.017 0.000 0.952 508 D CB 1.390 42.200 40.800 0.016 0.000 1.317 508 D HN -0.157 nan 8.370 nan 0.000 0.577 509 D N 1.229 121.664 120.400 0.059 0.000 2.392 509 D HA -0.088 4.552 4.640 -0.000 0.000 0.228 509 D C 1.571 177.915 176.300 0.072 0.000 1.003 509 D CA 0.665 54.708 54.000 0.070 0.000 0.917 509 D CB 0.385 41.236 40.800 0.084 0.000 0.890 509 D HN 0.404 nan 8.370 nan 0.000 0.532 510 S N -0.765 114.973 115.700 0.064 0.000 2.511 510 S HA -0.018 4.452 4.470 -0.000 0.000 0.214 510 S C 1.922 176.563 174.600 0.068 0.000 0.997 510 S CA 0.129 58.370 58.200 0.067 0.000 0.908 510 S CB 0.055 63.287 63.200 0.053 0.000 0.803 510 S HN 0.138 nan 8.310 nan 0.000 0.504 511 V N 1.797 121.747 119.914 0.060 0.000 2.548 511 V HA 0.108 4.228 4.120 -0.000 0.000 0.249 511 V C -0.694 175.450 176.094 0.084 0.000 1.055 511 V CA 1.076 63.412 62.300 0.060 0.000 1.065 511 V CB -1.283 30.568 31.823 0.047 0.000 0.681 511 V HN 0.318 nan 8.190 nan 0.000 0.462 512 P HA -0.064 nan 4.420 nan 0.000 0.217 512 P C 1.939 179.379 177.300 0.235 0.000 1.150 512 P CA 1.661 64.875 63.100 0.190 0.000 0.832 512 P CB -0.017 31.791 31.700 0.180 0.000 0.787 513 V N 0.314 120.348 119.914 0.200 0.000 2.500 513 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 513 V C 2.286 178.387 176.094 0.012 0.000 1.039 513 V CA 1.647 64.006 62.300 0.098 0.000 1.053 513 V CB -1.259 30.657 31.823 0.154 0.000 0.695 513 V HN 0.037 nan 8.190 nan 0.000 0.463 514 N N -0.055 118.668 118.700 0.039 0.000 2.216 514 N HA -0.065 4.674 4.740 -0.000 0.000 0.183 514 N C 1.923 177.429 175.510 -0.006 0.000 1.017 514 N CA 1.175 54.233 53.050 0.013 0.000 0.861 514 N CB -0.136 38.365 38.487 0.024 0.000 0.986 514 N HN 0.335 nan 8.380 nan 0.000 0.428 515 R N 0.277 120.786 120.500 0.016 0.000 2.040 515 R HA 0.185 4.525 4.340 -0.000 0.000 0.209 515 R C 1.477 177.796 176.300 0.031 0.000 1.281 515 R CA 0.252 56.363 56.100 0.018 0.000 1.064 515 R CB -0.325 30.014 30.300 0.066 0.000 0.950 515 R HN 0.135 nan 8.270 nan 0.000 0.462 516 N N 1.846 120.614 118.700 0.112 0.000 2.011 516 N HA -0.232 4.507 4.740 -0.000 0.000 0.199 516 N C 1.749 177.274 175.510 0.025 0.000 1.047 516 N CA 1.343 54.503 53.050 0.182 0.000 0.863 516 N CB -0.732 37.851 38.487 0.160 0.000 1.056 516 N HN 0.088 nan 8.380 nan 0.000 0.427 517 L N 0.735 121.865 121.223 -0.156 0.000 2.046 517 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 517 L C 2.427 179.144 176.870 -0.255 0.000 1.077 517 L CA 1.557 56.163 54.840 -0.389 0.000 0.747 517 L CB -1.115 40.456 42.059 -0.812 0.000 0.896 517 L HN 0.159 nan 8.230 nan 0.000 0.432 518 S N -0.819 114.771 115.700 -0.184 0.000 2.353 518 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 518 S C 1.917 176.406 174.600 -0.186 0.000 1.035 518 S CA 2.088 60.198 58.200 -0.150 0.000 1.025 518 S CB -0.305 62.831 63.200 -0.106 0.000 0.902 518 S HN 0.397 nan 8.310 nan 0.000 0.440 519 I N -0.691 119.720 120.570 -0.265 0.000 2.494 519 I HA 0.108 4.277 4.170 -0.000 0.000 0.250 519 I C 1.258 177.022 176.117 -0.588 0.000 1.112 519 I CA 0.942 61.952 61.300 -0.485 0.000 1.438 519 I CB -0.214 37.324 38.000 -0.770 0.000 1.111 519 I HN 0.336 nan 8.210 nan 0.000 0.431 520 Y N -0.717 119.521 120.300 -0.104 0.000 2.467 520 Y HA 0.248 4.797 4.550 -0.000 0.000 0.250 520 Y C 0.289 176.062 175.900 -0.211 0.000 1.155 520 Y CA -0.421 57.596 58.100 -0.138 0.000 1.249 520 Y CB 0.129 38.536 38.460 -0.088 0.000 1.146 520 Y HN 0.014 nan 8.280 nan 0.000 0.524 521 D N 0.903 121.238 120.400 -0.109 0.000 2.739 521 D HA -0.132 4.508 4.640 -0.000 0.000 0.240 521 D C 0.724 176.941 176.300 -0.139 0.000 1.114 521 D CA 1.047 54.950 54.000 -0.161 0.000 0.695 521 D CB -1.257 39.452 40.800 -0.151 0.000 1.078 521 D HN 0.647 nan 8.370 nan 0.000 0.434 522 G N -0.170 108.556 108.800 -0.123 0.000 2.354 522 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.278 522 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.278 522 G C -1.201 173.712 174.900 0.022 0.000 0.953 522 G CA -0.173 44.950 45.100 0.038 0.000 1.346 522 G HN 0.442 nan 8.290 nan 0.000 0.467 523 P HA -0.046 nan 4.420 nan 0.000 0.223 523 P C 1.872 178.755 177.300 -0.696 0.000 1.151 523 P CA 1.239 64.270 63.100 -0.115 0.000 0.787 523 P CB 0.244 32.012 31.700 0.113 0.000 0.788 524 E N 1.177 120.887 120.200 -0.817 0.000 2.265 524 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 524 E C 1.480 177.739 176.600 -0.568 0.000 0.996 524 E CA 1.042 56.670 56.400 -1.285 0.000 0.832 524 E CB -0.947 28.227 29.700 -0.877 0.000 0.756 524 E HN 0.517 nan 8.360 nan 0.000 0.491 525 Q N 1.070 120.726 119.800 -0.239 0.000 2.432 525 Q HA 0.024 4.364 4.340 -0.000 0.000 0.205 525 Q C 1.661 177.627 176.000 -0.057 0.000 0.945 525 Q CA 0.664 56.424 55.803 -0.072 0.000 0.924 525 Q CB -0.135 28.637 28.738 0.057 0.000 1.016 525 Q HN 0.364 nan 8.270 nan 0.000 0.503 526 R N -0.194 120.240 120.500 -0.109 0.000 2.342 526 R HA 0.149 4.489 4.340 -0.000 0.000 0.204 526 R C 1.384 177.762 176.300 0.130 0.000 0.882 526 R CA 0.249 56.371 56.100 0.036 0.000 1.041 526 R CB -0.271 30.098 30.300 0.116 0.000 1.188 526 R HN 0.221 nan 8.270 nan 0.000 0.598 527 F N 0.785 120.839 119.950 0.173 0.000 2.743 527 F HA 0.302 4.829 4.527 -0.000 0.000 0.297 527 F C 0.788 176.693 175.800 0.175 0.000 1.131 527 F CA -1.938 56.178 58.000 0.192 0.000 1.426 527 F CB -0.750 38.387 39.000 0.229 0.000 1.116 527 F HN -0.066 nan 8.300 nan 0.000 0.583 528 C N 6.155 125.697 119.300 0.402 0.000 2.555 528 C HA 0.334 4.794 4.460 -0.000 0.000 0.385 528 C C -0.549 174.578 174.990 0.229 0.000 1.296 528 C CA -1.665 57.574 59.018 0.369 0.000 1.757 528 C CB -0.003 27.911 27.740 0.291 0.000 2.445 528 C HN 0.367 nan 8.230 nan 0.000 0.571 529 P HA 0.103 nan 4.420 nan 0.000 0.253 529 P C 0.358 177.750 177.300 0.153 0.000 1.281 529 P CA 0.852 64.102 63.100 0.250 0.000 0.792 529 P CB 0.142 32.039 31.700 0.328 0.000 1.193 530 A N -1.011 121.859 122.820 0.084 0.000 2.600 530 A HA 0.551 4.870 4.320 -0.000 0.000 0.252 530 A C 1.314 178.864 177.584 -0.056 0.000 1.200 530 A CA 0.401 52.456 52.037 0.031 0.000 0.981 530 A CB -0.377 18.684 19.000 0.102 0.000 1.207 530 A HN 0.164 nan 8.150 nan 0.000 0.577 531 G N -0.337 108.419 108.800 -0.073 0.000 2.246 531 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.273 531 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.273 531 G C 0.819 175.646 174.900 -0.122 0.000 1.055 531 G CA 0.495 45.539 45.100 -0.092 0.000 0.851 531 G HN 0.717 nan 8.290 nan 0.000 0.500 532 V N -1.116 118.692 119.914 -0.177 0.000 2.407 532 V HA 0.071 4.191 4.120 -0.000 0.000 0.245 532 V C 1.362 177.180 176.094 -0.460 0.000 1.041 532 V CA 1.494 63.573 62.300 -0.368 0.000 1.040 532 V CB -0.361 31.121 31.823 -0.569 0.000 0.671 532 V HN 0.469 nan 8.190 nan 0.000 0.455 533 Y N 1.255 121.459 120.300 -0.159 0.000 2.327 533 Y HA 0.517 5.067 4.550 -0.000 0.000 0.336 533 Y C 0.374 176.094 175.900 -0.299 0.000 1.035 533 Y CA -0.697 57.245 58.100 -0.264 0.000 1.165 533 Y CB 0.566 38.841 38.460 -0.307 0.000 1.181 533 Y HN 0.343 nan 8.280 nan 0.000 0.494 534 E N 2.340 122.410 120.200 -0.216 0.000 2.331 534 E HA 0.480 4.830 4.350 -0.000 0.000 0.275 534 E C -2.030 174.408 176.600 -0.270 0.000 0.895 534 E CA -0.885 55.407 56.400 -0.180 0.000 0.753 534 E CB 1.363 31.025 29.700 -0.064 0.000 1.216 534 E HN 0.427 nan 8.360 nan 0.000 0.434 535 F N 2.074 122.053 119.950 0.048 0.000 2.391 535 F HA 0.298 4.825 4.527 -0.000 0.000 0.359 535 F C -0.131 175.820 175.800 0.252 0.000 1.122 535 F CA -0.755 57.306 58.000 0.103 0.000 1.120 535 F CB 1.583 40.547 39.000 -0.061 0.000 1.142 535 F HN 0.245 nan 8.300 nan 0.000 0.483 536 V N 5.717 125.855 119.914 0.373 0.000 2.509 536 V HA 0.269 4.388 4.120 -0.000 0.000 0.284 536 V C -2.079 174.170 176.094 0.259 0.000 1.047 536 V CA -2.207 60.258 62.300 0.276 0.000 0.952 536 V CB 1.226 33.125 31.823 0.126 0.000 0.988 536 V HN 0.486 nan 8.190 nan 0.000 0.469 537 P HA 0.059 nan 4.420 nan 0.000 0.264 537 P C -0.436 176.753 177.300 -0.184 0.000 1.193 537 P CA -0.233 62.688 63.100 -0.298 0.000 0.763 537 P CB 0.362 31.952 31.700 -0.184 0.000 0.810 538 L N 3.927 124.994 121.223 -0.260 0.000 2.426 538 L HA 0.024 4.364 4.340 -0.000 0.000 0.271 538 L C 1.385 178.194 176.870 -0.101 0.000 1.169 538 L CA 0.595 55.362 54.840 -0.121 0.000 0.836 538 L CB 0.140 42.136 42.059 -0.105 0.000 1.112 538 L HN 0.379 nan 8.230 nan 0.000 0.465 539 E N 1.142 121.309 120.200 -0.055 0.000 2.006 539 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 539 E C 0.304 176.879 176.600 -0.043 0.000 0.993 539 E CA 0.954 57.329 56.400 -0.042 0.000 0.808 539 E CB -0.291 29.395 29.700 -0.024 0.000 0.764 539 E HN 0.594 nan 8.360 nan 0.000 0.449 540 Q N 0.813 120.593 119.800 -0.034 0.000 2.286 540 Q HA 0.182 4.522 4.340 -0.000 0.000 0.265 540 Q C 0.828 176.804 176.000 -0.041 0.000 1.080 540 Q CA 0.397 56.182 55.803 -0.030 0.000 0.906 540 Q CB 0.214 28.941 28.738 -0.019 0.000 1.227 540 Q HN 0.379 nan 8.270 nan 0.000 0.409 541 G N 5.001 113.776 108.800 -0.042 0.000 2.952 541 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.346 541 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.346 541 G C 0.566 175.424 174.900 -0.071 0.000 1.191 541 G CA 0.730 45.802 45.100 -0.047 0.000 0.961 541 G HN 0.746 nan 8.290 nan 0.000 0.588 542 D N 1.549 121.909 120.400 -0.068 0.000 2.417 542 D HA 0.393 5.033 4.640 -0.000 0.000 0.207 542 D C 1.347 177.566 176.300 -0.135 0.000 1.075 542 D CA 1.358 55.306 54.000 -0.087 0.000 0.851 542 D CB 0.467 41.242 40.800 -0.040 0.000 0.976 542 D HN 0.626 nan 8.370 nan 0.000 0.505 543 G N -0.957 107.755 108.800 -0.147 0.000 3.264 543 G HA2 0.525 4.485 3.960 -0.000 0.000 0.168 543 G HA3 0.525 4.485 3.960 -0.000 0.000 0.168 543 G C -0.923 173.740 174.900 -0.395 0.000 1.145 543 G CA -0.436 44.571 45.100 -0.155 0.000 0.855 543 G HN -0.036 nan 8.290 nan 0.000 0.629 544 F N -0.463 119.508 119.950 0.036 0.000 2.618 544 F HA 0.733 5.260 4.527 -0.000 0.000 0.332 544 F C 0.464 176.346 175.800 0.137 0.000 1.061 544 F CA -0.891 57.167 58.000 0.096 0.000 0.974 544 F CB 2.109 41.184 39.000 0.125 0.000 1.310 544 F HN 0.479 nan 8.300 nan 0.000 0.491 545 R N 0.675 121.406 120.500 0.386 0.000 2.795 545 R HA 0.812 5.151 4.340 -0.000 0.000 0.275 545 R C -1.958 174.525 176.300 0.305 0.000 0.981 545 R CA -1.087 55.175 56.100 0.271 0.000 0.917 545 R CB 2.035 32.420 30.300 0.141 0.000 1.202 545 R HN 0.604 nan 8.270 nan 0.000 0.469 546 L N 1.155 122.489 121.223 0.185 0.000 2.307 546 L HA 0.361 4.701 4.340 -0.000 0.000 0.282 546 L C -0.652 176.185 176.870 -0.055 0.000 1.051 546 L CA -0.078 54.721 54.840 -0.067 0.000 0.804 546 L CB 1.629 43.586 42.059 -0.171 0.000 1.197 546 L HN 0.776 nan 8.230 nan 0.000 0.431 547 Q N 4.576 124.310 119.800 -0.111 0.000 2.316 547 Q HA 0.544 4.884 4.340 -0.000 0.000 0.264 547 Q C -1.509 174.420 176.000 -0.118 0.000 0.987 547 Q CA -0.580 55.176 55.803 -0.079 0.000 0.852 547 Q CB 1.587 30.290 28.738 -0.058 0.000 1.287 547 Q HN 0.760 nan 8.270 nan 0.000 0.448 548 I N 4.109 124.608 120.570 -0.118 0.000 2.328 548 I HA 0.259 4.428 4.170 -0.000 0.000 0.287 548 I C -0.505 175.475 176.117 -0.227 0.000 1.012 548 I CA -0.733 60.447 61.300 -0.200 0.000 1.195 548 I CB 1.223 39.128 38.000 -0.158 0.000 1.350 548 I HN 0.571 nan 8.210 nan 0.000 0.464 549 N N 6.489 125.027 118.700 -0.270 0.000 3.229 549 N HA 0.188 4.928 4.740 -0.000 0.000 0.275 549 N C 1.043 176.403 175.510 -0.251 0.000 1.225 549 N CA -0.097 52.818 53.050 -0.224 0.000 1.119 549 N CB 1.531 39.909 38.487 -0.182 0.000 1.392 549 N HN 0.702 nan 8.380 nan 0.000 0.520 550 A N 1.420 124.075 122.820 -0.275 0.000 2.084 550 A HA -0.225 4.094 4.320 -0.000 0.000 0.221 550 A C 2.179 179.616 177.584 -0.245 0.000 1.161 550 A CA 1.142 52.984 52.037 -0.324 0.000 0.653 550 A CB -0.142 18.653 19.000 -0.341 0.000 0.802 550 A HN 0.535 nan 8.150 nan 0.000 0.457 551 Q N 0.189 119.902 119.800 -0.145 0.000 2.369 551 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 551 Q C 0.761 176.861 176.000 0.167 0.000 0.963 551 Q CA 1.801 57.618 55.803 0.023 0.000 0.894 551 Q CB -0.900 27.908 28.738 0.116 0.000 0.965 551 Q HN 0.810 nan 8.270 nan 0.000 0.475 552 N N -0.091 118.635 118.700 0.044 0.000 2.398 552 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 552 N C -0.067 175.535 175.510 0.154 0.000 1.122 552 N CA -0.233 52.873 53.050 0.093 0.000 0.866 552 N CB 0.318 38.806 38.487 0.002 0.000 0.970 552 N HN 0.194 nan 8.380 nan 0.000 0.462 553 C N 1.540 120.952 119.300 0.186 0.000 2.634 553 C HA 0.063 4.523 4.460 -0.000 0.000 0.418 553 C C 1.918 177.193 174.990 0.475 0.000 1.373 553 C CA -0.402 58.815 59.018 0.331 0.000 1.756 553 C CB -0.434 27.582 27.740 0.460 0.000 2.589 553 C HN 0.378 nan 8.230 nan 0.000 0.602 554 V N 3.658 123.775 119.914 0.338 0.000 3.542 554 V HA 0.322 4.442 4.120 -0.000 0.000 0.296 554 V C 0.869 177.068 176.094 0.175 0.000 1.364 554 V CA 0.843 63.242 62.300 0.164 0.000 1.118 554 V CB -1.653 30.264 31.823 0.158 0.000 0.972 554 V HN 1.105 nan 8.190 nan 0.000 0.430 555 H N -0.971 118.165 119.070 0.110 0.000 2.820 555 H HA -0.232 4.324 4.556 -0.000 0.000 0.295 555 H C 1.670 176.854 175.328 -0.240 0.000 1.187 555 H CA 0.419 56.423 56.048 -0.073 0.000 1.144 555 H CB -1.752 27.941 29.762 -0.115 0.000 1.354 555 H HN 0.887 nan 8.280 nan 0.000 0.395 556 C N -0.512 118.788 119.300 -0.001 0.000 2.448 556 C HA 0.035 4.495 4.460 -0.000 0.000 0.280 556 C C 1.591 176.497 174.990 -0.139 0.000 1.398 556 C CA 0.431 59.433 59.018 -0.027 0.000 1.774 556 C CB 0.216 27.984 27.740 0.047 0.000 1.888 556 C HN 0.657 nan 8.230 nan 0.000 0.519 557 K N -0.370 119.876 120.400 -0.257 0.000 3.470 557 K HA -0.148 4.172 4.320 -0.000 0.000 0.305 557 K C 0.739 177.175 176.600 -0.273 0.000 1.363 557 K CA 1.349 57.447 56.287 -0.314 0.000 0.927 557 K CB -2.862 29.483 32.500 -0.259 0.000 1.355 557 K HN 0.654 nan 8.250 nan 0.000 0.466 558 T N 0.258 114.705 114.554 -0.178 0.000 2.737 558 T HA -0.179 4.170 4.350 -0.000 0.000 0.265 558 T C 2.054 176.543 174.700 -0.352 0.000 1.038 558 T CA 1.872 63.822 62.100 -0.249 0.000 1.144 558 T CB -0.552 68.266 68.868 -0.084 0.000 0.866 558 T HN 0.634 nan 8.240 nan 0.000 0.434 559 C N 1.819 121.073 119.300 -0.076 0.000 2.422 559 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 559 C C 2.401 177.327 174.990 -0.106 0.000 1.305 559 C CA 0.574 59.596 59.018 0.007 0.000 1.757 559 C CB -1.209 26.831 27.740 0.500 0.000 1.962 559 C HN 0.472 nan 8.230 nan 0.000 0.499 560 D N 0.870 121.237 120.400 -0.056 0.000 2.269 560 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 560 D C 1.960 178.137 176.300 -0.204 0.000 0.963 560 D CA 0.974 54.967 54.000 -0.011 0.000 0.864 560 D CB -0.133 40.778 40.800 0.186 0.000 0.936 560 D HN 0.645 nan 8.370 nan 0.000 0.505 561 I N -0.235 120.033 120.570 -0.504 0.000 2.429 561 I HA -0.102 4.068 4.170 -0.000 0.000 0.247 561 I C 2.222 178.032 176.117 -0.511 0.000 1.099 561 I CA 0.461 61.345 61.300 -0.693 0.000 1.422 561 I CB 0.086 37.437 38.000 -1.083 0.000 1.112 561 I HN -0.179 nan 8.210 nan 0.000 0.430 562 K N 0.963 120.992 120.400 -0.618 0.000 2.361 562 K HA -0.032 4.288 4.320 -0.000 0.000 0.196 562 K C 0.375 176.665 176.600 -0.516 0.000 1.039 562 K CA 0.237 56.122 56.287 -0.670 0.000 1.001 562 K CB -0.270 31.628 32.500 -1.003 0.000 0.795 562 K HN 0.016 nan 8.250 nan 0.000 0.495 563 D N 1.675 121.856 120.400 -0.366 0.000 2.502 563 D HA -0.065 4.575 4.640 -0.000 0.000 0.249 563 D C -1.562 174.645 176.300 -0.154 0.000 1.188 563 D CA -1.308 52.630 54.000 -0.103 0.000 0.890 563 D CB 1.098 41.877 40.800 -0.035 0.000 1.140 563 D HN 0.108 nan 8.370 nan 0.000 0.505 564 P HA -0.107 nan 4.420 nan 0.000 0.222 564 P C 0.560 177.786 177.300 -0.123 0.000 1.147 564 P CA 0.679 63.612 63.100 -0.278 0.000 0.790 564 P CB 0.305 31.594 31.700 -0.685 0.000 0.780 565 S N -0.746 114.922 115.700 -0.053 0.000 2.575 565 S HA 0.037 4.507 4.470 -0.000 0.000 0.215 565 S C 0.618 175.209 174.600 -0.015 0.000 0.966 565 S CA -0.124 58.075 58.200 -0.001 0.000 0.911 565 S CB -0.554 62.667 63.200 0.036 0.000 0.780 565 S HN 0.106 nan 8.310 nan 0.000 0.514 566 Q N 1.414 121.192 119.800 -0.038 0.000 2.416 566 Q HA -0.225 4.114 4.340 -0.000 0.000 0.319 566 Q C 0.440 176.433 176.000 -0.011 0.000 1.318 566 Q CA 0.555 56.340 55.803 -0.030 0.000 0.915 566 Q CB -1.917 26.805 28.738 -0.026 0.000 1.184 566 Q HN 0.651 nan 8.270 nan 0.000 0.444 567 N N -0.359 118.336 118.700 -0.008 0.000 2.282 567 N HA 0.135 4.875 4.740 -0.000 0.000 0.185 567 N C 0.248 175.758 175.510 -0.001 0.000 1.099 567 N CA 0.159 53.207 53.050 -0.003 0.000 0.878 567 N CB 0.571 39.060 38.487 0.004 0.000 0.993 567 N HN 0.357 nan 8.380 nan 0.000 0.481 568 I N 0.526 121.099 120.570 0.005 0.000 2.488 568 I HA 0.251 4.421 4.170 -0.000 0.000 0.299 568 I C -0.468 175.680 176.117 0.051 0.000 0.984 568 I CA -0.853 60.465 61.300 0.028 0.000 1.250 568 I CB 1.326 39.357 38.000 0.051 0.000 1.389 568 I HN 0.043 nan 8.210 nan 0.000 0.488 569 N N 4.913 123.641 118.700 0.047 0.000 2.519 569 N HA 0.221 4.961 4.740 -0.000 0.000 0.286 569 N C -1.532 174.019 175.510 0.069 0.000 1.079 569 N CA -0.539 52.552 53.050 0.068 0.000 0.878 569 N CB 0.998 39.492 38.487 0.012 0.000 1.375 569 N HN 0.518 nan 8.380 nan 0.000 0.514 570 W N 5.408 126.704 121.300 -0.007 0.000 2.266 570 W HA 0.481 5.141 4.660 -0.000 0.000 0.317 570 W C -0.154 176.287 176.519 -0.130 0.000 1.310 570 W CA -0.105 57.216 57.345 -0.040 0.000 1.207 570 W CB 0.507 29.983 29.460 0.027 0.000 1.199 570 W HN 0.308 nan 8.180 nan 0.000 0.544 571 V N 4.418 123.859 119.914 -0.789 0.000 3.160 571 V HA 0.728 4.848 4.120 -0.000 0.000 0.310 571 V C -0.258 174.868 176.094 -1.612 0.000 1.181 571 V CA -1.223 60.477 62.300 -0.999 0.000 1.047 571 V CB 0.806 32.177 31.823 -0.754 0.000 1.068 571 V HN 0.581 nan 8.190 nan 0.000 0.441 572 V N -0.158 119.063 119.914 -1.155 0.000 2.686 572 V HA 0.605 4.724 4.120 -0.000 0.000 0.295 572 V C -1.791 174.008 176.094 -0.491 0.000 1.055 572 V CA -0.925 60.937 62.300 -0.730 0.000 1.050 572 V CB 0.241 31.993 31.823 -0.119 0.000 0.984 572 V HN 0.983 nan 8.190 nan 0.000 0.482 573 P HA 0.326 nan 4.420 nan 0.000 0.297 573 P C -0.338 176.955 177.300 -0.011 0.000 1.307 573 P CA -0.720 62.235 63.100 -0.242 0.000 0.773 573 P CB 0.678 32.140 31.700 -0.397 0.000 1.265 574 E N -0.577 119.660 120.200 0.062 0.000 2.442 574 E HA 0.163 4.512 4.350 -0.000 0.000 0.262 574 E C 0.796 177.427 176.600 0.052 0.000 1.004 574 E CA 0.094 56.530 56.400 0.061 0.000 0.928 574 E CB -0.030 29.702 29.700 0.053 0.000 0.937 574 E HN 0.473 nan 8.360 nan 0.000 0.446 575 G N 0.877 109.687 108.800 0.017 0.000 2.353 575 G HA2 0.288 4.247 3.960 -0.000 0.000 0.239 575 G HA3 0.288 4.247 3.960 -0.000 0.000 0.239 575 G C 0.944 175.825 174.900 -0.032 0.000 1.295 575 G CA 0.127 45.230 45.100 0.004 0.000 0.884 575 G HN 0.720 nan 8.290 nan 0.000 0.537 576 G N 0.813 109.608 108.800 -0.008 0.000 2.213 576 G HA2 0.040 4.000 3.960 -0.000 0.000 0.226 576 G HA3 0.040 4.000 3.960 -0.000 0.000 0.226 576 G C 0.856 175.729 174.900 -0.045 0.000 0.992 576 G CA 0.392 45.463 45.100 -0.047 0.000 0.632 576 G HN 1.618 nan 8.290 nan 0.000 0.511 577 G N -0.280 108.520 108.800 -0.001 0.000 2.572 577 G HA2 0.756 4.716 3.960 -0.000 0.000 0.261 577 G HA3 0.756 4.716 3.960 -0.000 0.000 0.261 577 G C 0.851 175.595 174.900 -0.259 0.000 1.197 577 G CA 1.237 46.231 45.100 -0.177 0.000 0.870 577 G HN 1.967 nan 8.290 nan 0.000 0.548 578 G N 0.182 108.472 108.800 -0.851 0.000 2.466 578 G HA2 0.022 3.982 3.960 -0.000 0.000 0.316 578 G HA3 0.022 3.982 3.960 -0.000 0.000 0.316 578 G C -3.048 171.549 174.900 -0.505 0.000 1.270 578 G CA -0.469 44.181 45.100 -0.750 0.000 0.982 578 G HN 0.750 nan 8.290 nan 0.000 0.506 579 P HA 0.387 nan 4.420 nan 0.000 0.269 579 P C 0.179 177.267 177.300 -0.352 0.000 1.211 579 P CA 1.257 63.962 63.100 -0.658 0.000 0.781 579 P CB 0.666 31.485 31.700 -1.468 0.000 0.877 580 A N 1.957 124.629 122.820 -0.246 0.000 2.956 580 A HA 0.270 4.590 4.320 -0.000 0.000 0.294 580 A C -0.479 177.156 177.584 0.085 0.000 0.993 580 A CA -0.438 51.564 52.037 -0.059 0.000 1.032 580 A CB -0.844 18.129 19.000 -0.046 0.000 1.129 580 A HN 0.478 nan 8.150 nan 0.000 0.505 581 Y N 0.598 120.949 120.300 0.085 0.000 2.712 581 Y HA 0.060 4.610 4.550 -0.000 0.000 0.333 581 Y C 0.923 176.877 175.900 0.090 0.000 1.225 581 Y CA 0.104 58.247 58.100 0.071 0.000 1.499 581 Y CB 0.511 39.007 38.460 0.059 0.000 1.288 581 Y HN 0.569 nan 8.280 nan 0.000 0.575 582 N N 1.991 120.830 118.700 0.232 0.000 2.626 582 N HA 0.288 5.028 4.740 -0.000 0.000 0.249 582 N C -0.009 175.497 175.510 -0.007 0.000 1.021 582 N CA 0.247 53.406 53.050 0.182 0.000 0.886 582 N CB 0.819 39.431 38.487 0.208 0.000 1.149 582 N HN 0.831 nan 8.380 nan 0.000 0.517 583 G N 2.841 111.483 108.800 -0.262 0.000 2.225 583 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 583 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 583 G C 0.018 174.730 174.900 -0.314 0.000 1.060 583 G CA 0.205 44.823 45.100 -0.802 0.000 0.833 583 G HN 0.458 nan 8.290 nan 0.000 0.498 584 M N 0.000 119.504 119.600 -0.160 0.000 2.572 584 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 584 M CA 0.000 55.207 55.300 -0.155 0.000 0.988 584 M CB 0.000 32.408 32.600 -0.321 0.000 1.302 584 M HN 0.000 nan 8.290 nan 0.000 0.411