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 1mty_1_E DATA FIRST_RESID 15 DATA SEQUENCE AANRAPTSVN AQEVHRWLQS FNWDFKNNRT KYATKYKMAN ETKEQFKLIA DATA SEQUENCE KEYARMEAVK DERQFGSLQV ALTRLNAGVR VHPKWNETMK VVSNFLEVGE DATA SEQUENCE YNAIAATGML WDSAQAAEQK NGYLAQVLDE IRHTHQCAYV NYYFAKNGQD DATA SEQUENCE PAGHNDARRT RTIGPLWKGM KRVFSDGFIS GDAVECSLNL QLVGEACFTN DATA SEQUENCE PLIVAVTEWA AANGDEITPT VFLSIETDEL RHMANGYQTV VSIANDPASA DATA SEQUENCE KYLNTDLNNA FWTQQKYFTP VLGMLFEYGS KFKVEPWVKT WDRWVYEDWG DATA SEQUENCE GIWIGRLGKY GVESPRSLKD AKQDAYWAHH DLYLLAYALW PTGFFRLALP DATA SEQUENCE DQEEMEWFEA NYPGWYDHYG KIYEEWRARG CEDPSSGFIP LMWFIENNHP DATA SEQUENCE IYIDRVSQVP FCPSLAKGAS TLRVHEYNGE MHTFSDQWGE RMWLAEPERY DATA SEQUENCE ECQNIFEQYE GRELSEVIAE LHGLRSDGKT LIAQPHVRGD KLWTLDDIKR DATA SEQUENCE LNCVFKNPVK AF 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.586 177.584 0.003 0.000 1.274 15 A CA 0.000 52.039 52.037 0.003 0.000 0.836 15 A CB 0.000 19.002 19.000 0.003 0.000 0.831 16 A N -0.821 122.001 122.820 0.003 0.000 2.442 16 A HA -0.071 nan 4.320 nan 0.000 0.685 16 A C -1.943 175.644 177.584 0.004 0.000 0.153 16 A CA -0.660 51.379 52.037 0.003 0.000 0.041 16 A CB -0.264 18.738 19.000 0.004 0.000 3.967 16 A HN 0.522 8.674 8.150 0.003 0.000 0.548 17 N N -0.535 118.167 118.700 0.004 0.000 2.336 17 N HA 0.209 nan 4.740 nan 0.000 0.290 17 N C -1.382 174.130 175.510 0.005 0.000 1.058 17 N CA -0.516 52.537 53.050 0.004 0.000 0.865 17 N CB 1.188 39.677 38.487 0.004 0.000 1.581 17 N HN 0.207 8.589 8.380 0.004 0.000 0.480 18 R N -0.369 120.135 120.500 0.005 0.000 8.589 18 R HA -0.153 nan 4.340 nan 0.000 0.243 18 R C -1.556 174.748 176.300 0.007 0.000 0.824 18 R CA -0.078 56.026 56.100 0.006 0.000 2.080 18 R CB 0.169 30.473 30.300 0.007 0.000 1.131 18 R HN 0.306 8.579 8.270 0.005 0.000 1.018 19 A N 5.640 128.465 122.820 0.008 0.000 2.498 19 A HA 0.084 nan 4.320 nan 0.000 0.239 19 A C -1.918 175.672 177.584 0.010 0.000 1.068 19 A CA -0.627 51.416 52.037 0.008 0.000 0.766 19 A CB -0.175 18.831 19.000 0.009 0.000 1.003 19 A HN 0.143 8.298 8.150 0.008 0.000 0.497 20 P HA 0.000 nan 4.420 nan 0.000 0.267 20 P C -1.353 175.955 177.300 0.013 0.000 1.205 20 P CA 0.182 63.289 63.100 0.010 0.000 0.765 20 P CB 0.409 32.114 31.700 0.010 0.000 0.828 21 T N 2.802 117.364 114.554 0.014 0.000 2.896 21 T HA 0.333 nan 4.350 nan 0.000 0.297 21 T C -0.973 173.739 174.700 0.020 0.000 1.108 21 T CA -0.342 61.769 62.100 0.018 0.000 1.004 21 T CB 2.292 71.171 68.868 0.019 0.000 1.159 21 T HN 0.150 8.399 8.240 0.014 0.000 0.499 22 S N 0.034 115.748 115.700 0.024 0.000 2.790 22 S HA 0.751 nan 4.470 nan 0.000 0.292 22 S C -2.161 172.461 174.600 0.036 0.000 1.197 22 S CA -0.828 57.389 58.200 0.028 0.000 0.851 22 S CB 1.347 64.563 63.200 0.026 0.000 1.217 22 S HN 0.190 8.515 8.310 0.025 0.000 0.526 23 V N 2.603 122.543 119.914 0.043 0.000 2.638 23 V HA 0.468 nan 4.120 nan 0.000 0.306 23 V C -1.474 174.654 176.094 0.055 0.000 1.052 23 V CA -0.622 61.711 62.300 0.055 0.000 0.885 23 V CB 2.094 33.957 31.823 0.067 0.000 0.999 23 V HN 0.393 8.608 8.190 0.040 0.000 0.424 24 N N 6.576 125.310 118.700 0.056 0.000 2.530 24 N HA 0.288 nan 4.740 nan 0.000 0.283 24 N C 0.643 176.192 175.510 0.066 0.000 1.238 24 N CA -1.355 51.726 53.050 0.052 0.000 0.971 24 N CB 1.488 39.998 38.487 0.037 0.000 1.195 24 N HN 0.236 9.003 8.380 0.059 -0.352 0.583 25 A N -1.475 121.380 122.820 0.059 0.000 1.892 25 A HA -0.262 nan 4.320 nan 0.000 0.218 25 A C 1.941 179.575 177.584 0.084 0.000 1.188 25 A CA 3.240 55.321 52.037 0.072 0.000 0.631 25 A CB -0.941 18.091 19.000 0.054 0.000 0.822 25 A HN 0.451 8.629 8.150 0.046 0.000 0.447 26 Q N -0.850 118.979 119.800 0.048 0.000 2.096 26 Q HA -0.277 nan 4.340 nan 0.000 0.204 26 Q C 2.551 178.594 176.000 0.071 0.000 0.982 26 Q CA 3.061 58.888 55.803 0.040 0.000 0.850 26 Q CB -0.665 28.073 28.738 -0.000 0.000 0.901 26 Q HN 0.286 8.629 8.270 0.033 -0.053 0.422 27 E N -2.048 118.198 120.200 0.077 0.000 2.204 27 E HA -0.317 nan 4.350 nan 0.000 0.195 27 E C 2.308 179.011 176.600 0.171 0.000 0.990 27 E CA 2.558 59.022 56.400 0.107 0.000 0.821 27 E CB -0.137 29.625 29.700 0.104 0.000 0.750 27 E HN 0.049 8.791 8.360 0.068 -0.341 0.477 28 V N -1.278 118.734 119.914 0.164 0.000 2.500 28 V HA -0.224 nan 4.120 nan 0.000 0.243 28 V C 1.854 178.026 176.094 0.130 0.000 1.039 28 V CA 3.495 65.916 62.300 0.202 0.000 1.053 28 V CB -0.516 31.414 31.823 0.178 0.000 0.695 28 V HN -0.635 7.507 8.190 0.136 0.130 0.463 29 H N 1.158 120.224 119.070 -0.006 0.000 2.457 29 H HA -0.325 nan 4.556 nan 0.000 0.297 29 H C 2.430 177.656 175.328 -0.171 0.000 1.092 29 H CA 3.799 59.789 56.048 -0.097 0.000 1.309 29 H CB 0.091 29.809 29.762 -0.074 0.000 1.382 29 H HN 0.321 8.717 8.280 0.193 0.000 0.535 30 R N 0.599 121.033 120.500 -0.109 0.000 2.170 30 R HA -0.321 nan 4.340 nan 0.000 0.242 30 R C 1.180 177.082 176.300 -0.663 0.000 1.145 30 R CA 2.854 58.740 56.100 -0.357 0.000 0.984 30 R CB -0.356 29.717 30.300 -0.378 0.000 0.869 30 R HN -0.296 7.951 8.270 0.011 0.029 0.455 31 W N -4.256 116.948 121.300 -0.161 0.000 3.127 31 W HA 0.223 nan 4.660 nan 0.000 0.344 31 W C 0.224 176.476 176.519 -0.446 0.000 1.151 31 W CA -0.707 56.550 57.345 -0.147 0.000 1.765 31 W CB 0.965 30.449 29.460 0.040 0.000 1.085 31 W HN -0.321 7.661 8.180 -0.091 0.144 0.596 32 L N 1.865 122.699 121.223 -0.650 0.000 2.093 32 L HA -0.447 nan 4.340 nan 0.000 0.208 32 L C 1.619 178.116 176.870 -0.622 0.000 1.085 32 L CA 3.687 57.840 54.840 -1.144 0.000 0.755 32 L CB -0.034 41.453 42.059 -0.952 0.000 0.904 32 L HN -0.164 7.526 8.230 -0.578 0.193 0.435 33 Q N -0.993 118.582 119.800 -0.376 0.000 2.135 33 Q HA -0.367 nan 4.340 nan 0.000 0.204 33 Q C 1.983 177.985 176.000 0.004 0.000 0.981 33 Q CA 2.970 58.676 55.803 -0.161 0.000 0.856 33 Q CB -0.698 27.959 28.738 -0.136 0.000 0.902 33 Q HN 0.453 8.458 8.270 -0.442 0.000 0.425 34 S N -0.260 115.492 115.700 0.086 0.000 2.555 34 S HA -0.165 nan 4.470 nan 0.000 0.230 34 S C 0.904 175.771 174.600 0.445 0.000 0.978 34 S CA 2.488 60.852 58.200 0.274 0.000 0.934 34 S CB -0.625 62.805 63.200 0.382 0.000 0.766 34 S HN -0.567 7.745 8.310 0.022 0.011 0.533 35 F N 1.234 121.285 119.950 0.168 0.000 2.216 35 F HA -0.142 nan 4.527 nan 0.000 0.300 35 F C 0.719 176.715 175.800 0.326 0.000 1.085 35 F CA 1.136 59.262 58.000 0.210 0.000 1.326 35 F CB -0.496 38.603 39.000 0.165 0.000 1.027 35 F HN -0.364 7.924 8.300 0.297 0.191 0.497 36 N N -1.171 117.793 118.700 0.440 0.000 2.530 36 N HA -0.078 nan 4.740 nan 0.000 0.277 36 N C -1.483 174.278 175.510 0.418 0.000 1.168 36 N CA 0.115 53.368 53.050 0.340 0.000 0.979 36 N CB 0.975 39.549 38.487 0.145 0.000 1.141 36 N HN -0.791 7.771 8.380 0.348 0.027 0.459 37 W N 2.168 123.590 121.300 0.204 0.000 2.975 37 W HA 0.319 nan 4.660 nan 0.000 0.342 37 W C -2.059 174.592 176.519 0.220 0.000 1.168 37 W CA -2.076 55.386 57.345 0.195 0.000 1.141 37 W CB 1.826 31.400 29.460 0.190 0.000 1.445 37 W HN -0.328 7.876 8.180 0.040 0.000 0.560 38 D N 1.795 122.398 120.400 0.339 0.000 2.308 38 D HA 0.153 nan 4.640 nan 0.000 0.251 38 D C -1.198 175.308 176.300 0.344 0.000 1.127 38 D CA 0.512 54.609 54.000 0.162 0.000 0.876 38 D CB 0.410 41.293 40.800 0.139 0.000 1.176 38 D HN -0.073 8.557 8.370 0.433 0.000 0.446 39 F N -1.491 118.455 119.950 -0.005 0.000 2.654 39 F HA 0.419 nan 4.527 nan 0.000 0.308 39 F C 0.193 175.988 175.800 -0.008 0.000 1.108 39 F CA -2.000 56.018 58.000 0.030 0.000 0.957 39 F CB 2.017 41.053 39.000 0.060 0.000 1.309 39 F HN -0.662 7.432 8.300 -0.344 0.000 0.446 40 K N 0.214 120.703 120.400 0.150 0.000 2.044 40 K HA -0.303 nan 4.320 nan 0.000 0.210 40 K C -0.184 176.388 176.600 -0.047 0.000 1.049 40 K CA 2.780 59.087 56.287 0.033 0.000 0.927 40 K CB -0.385 32.154 32.500 0.064 0.000 0.713 40 K HN 0.354 8.748 8.250 0.240 0.000 0.443 41 N N -1.816 116.899 118.700 0.026 0.000 2.362 41 N HA -0.013 nan 4.740 nan 0.000 0.204 41 N C -1.329 174.026 175.510 -0.259 0.000 1.166 41 N CA -0.415 52.613 53.050 -0.036 0.000 0.831 41 N CB -0.663 37.876 38.487 0.087 0.000 1.008 41 N HN -0.234 8.278 8.380 0.220 0.000 0.472 42 N N 2.467 120.720 118.700 -0.745 0.000 2.605 42 N HA -0.110 nan 4.740 nan 0.000 0.258 42 N C -1.369 173.874 175.510 -0.445 0.000 1.156 42 N CA -0.115 52.337 53.050 -0.997 0.000 1.008 42 N CB -0.678 36.804 38.487 -1.675 0.000 1.354 42 N HN -0.524 7.254 8.380 -0.714 0.173 0.509 43 R N 1.217 121.558 120.500 -0.265 0.000 2.734 43 R HA 0.332 nan 4.340 nan 0.000 0.271 43 R C -0.915 175.323 176.300 -0.104 0.000 1.021 43 R CA -1.375 54.633 56.100 -0.154 0.000 0.893 43 R CB 1.223 31.450 30.300 -0.121 0.000 1.244 43 R HN -0.580 7.534 8.270 -0.235 0.015 0.464 44 T N 1.535 116.053 114.554 -0.059 0.000 2.926 44 T HA 0.022 nan 4.350 nan 0.000 0.307 44 T C -0.075 174.586 174.700 -0.065 0.000 1.059 44 T CA 0.935 63.020 62.100 -0.025 0.000 1.122 44 T CB 0.236 69.126 68.868 0.036 0.000 0.972 44 T HN 0.131 8.341 8.240 -0.049 0.000 0.545 45 K N 2.133 122.465 120.400 -0.113 0.000 2.426 45 K HA -0.026 nan 4.320 nan 0.000 0.193 45 K C -0.166 176.128 176.600 -0.511 0.000 1.028 45 K CA 0.953 57.056 56.287 -0.307 0.000 1.047 45 K CB 0.729 32.985 32.500 -0.407 0.000 0.821 45 K HN 0.253 8.820 8.250 -0.056 -0.350 0.513 46 Y N -0.987 119.271 120.300 -0.070 0.000 2.387 46 Y HA 0.016 nan 4.550 nan 0.000 0.336 46 Y C -0.070 175.802 175.900 -0.046 0.000 1.067 46 Y CA -1.104 56.960 58.100 -0.061 0.000 1.114 46 Y CB 1.327 39.746 38.460 -0.068 0.000 1.208 46 Y HN -0.613 7.636 8.280 0.058 0.066 0.458 47 A N 4.316 127.184 122.820 0.081 0.000 2.511 47 A HA -0.025 nan 4.320 nan 0.000 0.242 47 A C -1.416 176.202 177.584 0.055 0.000 1.069 47 A CA 0.832 52.888 52.037 0.032 0.000 0.763 47 A CB 0.349 19.352 19.000 0.005 0.000 1.001 47 A HN 0.333 8.536 8.150 0.088 0.000 0.498 48 T N 0.692 115.262 114.554 0.027 0.000 2.957 48 T HA 0.129 nan 4.350 nan 0.000 0.336 48 T C -1.036 173.643 174.700 -0.034 0.000 1.462 48 T CA -0.347 61.785 62.100 0.054 0.000 1.073 48 T CB 1.251 70.197 68.868 0.130 0.000 1.319 48 T HN -0.452 7.789 8.240 0.000 0.000 0.485 49 K N 3.297 123.605 120.400 -0.153 0.000 2.393 49 K HA 0.189 nan 4.320 nan 0.000 0.193 49 K C -0.412 175.964 176.600 -0.372 0.000 1.026 49 K CA 0.400 56.441 56.287 -0.411 0.000 1.064 49 K CB 1.211 33.158 32.500 -0.922 0.000 0.833 49 K HN 0.239 8.780 8.250 -0.058 -0.326 0.521 50 Y N -0.712 119.601 120.300 0.022 0.000 2.602 50 Y HA 0.028 nan 4.550 nan 0.000 0.330 50 Y C -0.824 175.094 175.900 0.030 0.000 1.114 50 Y CA -1.723 56.406 58.100 0.048 0.000 1.182 50 Y CB 1.831 40.319 38.460 0.047 0.000 1.305 50 Y HN -0.653 7.678 8.280 0.196 0.066 0.502 51 K N 1.447 121.973 120.400 0.210 0.000 2.507 51 K HA 0.208 nan 4.320 nan 0.000 0.253 51 K C -1.233 175.423 176.600 0.093 0.000 0.969 51 K CA -0.981 55.373 56.287 0.112 0.000 0.908 51 K CB 1.134 33.677 32.500 0.072 0.000 1.127 51 K HN 0.214 8.617 8.250 0.255 0.000 0.437 52 M N 4.802 124.447 119.600 0.074 0.000 2.220 52 M HA -0.138 nan 4.480 nan 0.000 0.343 52 M C 0.086 176.405 176.300 0.032 0.000 1.470 52 M CA -0.160 55.170 55.300 0.050 0.000 1.161 52 M CB -0.088 32.552 32.600 0.066 0.000 1.737 52 M HN 0.453 8.789 8.290 0.077 0.000 0.464 53 A N 6.658 129.489 122.820 0.018 0.000 2.567 53 A HA -0.165 nan 4.320 nan 0.000 0.240 53 A C -1.168 176.419 177.584 0.005 0.000 1.053 53 A CA 0.124 52.166 52.037 0.009 0.000 0.755 53 A CB 0.193 19.193 19.000 -0.000 0.000 0.978 53 A HN 0.583 8.630 8.150 0.013 0.111 0.507 54 N N 1.428 120.130 118.700 0.003 0.000 2.317 54 N HA -0.139 nan 4.740 nan 0.000 0.245 54 N C 0.318 175.827 175.510 -0.002 0.000 1.294 54 N CA 0.109 53.160 53.050 0.002 0.000 0.924 54 N CB 0.070 38.556 38.487 -0.002 0.000 1.186 54 N HN 0.028 8.409 8.380 0.003 0.000 0.495 55 E N -6.964 113.234 120.200 -0.004 0.000 4.071 55 E HA -0.340 nan 4.350 nan 0.000 0.355 55 E C -0.734 175.852 176.600 -0.022 0.000 0.653 55 E CA 1.949 58.342 56.400 -0.012 0.000 1.298 55 E CB -1.356 28.340 29.700 -0.007 0.000 1.712 55 E HN 0.373 8.732 8.360 -0.001 0.000 0.416 56 T N 3.081 117.621 114.554 -0.024 0.000 2.902 56 T HA -0.131 nan 4.350 nan 0.000 0.301 56 T C -0.883 173.790 174.700 -0.045 0.000 1.012 56 T CA 2.044 64.122 62.100 -0.037 0.000 1.151 56 T CB 0.430 69.273 68.868 -0.041 0.000 0.946 56 T HN -0.546 7.587 8.240 -0.016 0.097 0.542 57 K N 2.506 122.878 120.400 -0.047 0.000 2.168 57 K HA 0.596 nan 4.320 nan 0.000 0.239 57 K C -0.683 175.883 176.600 -0.056 0.000 0.999 57 K CA -2.444 53.816 56.287 -0.046 0.000 0.900 57 K CB 1.729 34.204 32.500 -0.042 0.000 1.111 57 K HN -0.044 8.180 8.250 -0.044 0.000 0.452 58 E N -1.789 118.386 120.200 -0.041 0.000 2.244 58 E HA 0.293 nan 4.350 nan 0.000 0.266 58 E C -0.416 176.099 176.600 -0.142 0.000 0.914 58 E CA -1.503 54.855 56.400 -0.069 0.000 0.794 58 E CB 2.347 32.031 29.700 -0.027 0.000 1.210 58 E HN 0.021 8.701 8.360 0.000 -0.319 0.414 59 Q N 1.005 120.660 119.800 -0.242 0.000 2.083 59 Q HA -0.149 nan 4.340 nan 0.000 0.198 59 Q C -0.426 175.139 176.000 -0.725 0.000 0.969 59 Q CA 2.202 57.684 55.803 -0.536 0.000 0.838 59 Q CB 0.794 29.055 28.738 -0.795 0.000 0.900 59 Q HN 0.169 8.628 8.270 -0.164 -0.288 0.436 60 F N -1.066 118.806 119.950 -0.131 0.000 2.371 60 F HA 0.119 nan 4.527 nan 0.000 0.363 60 F C -0.522 175.090 175.800 -0.314 0.000 1.122 60 F CA -1.376 56.525 58.000 -0.164 0.000 1.129 60 F CB 0.511 39.458 39.000 -0.088 0.000 1.173 60 F HN -0.375 7.836 8.300 -0.150 0.000 0.489 61 K N 6.435 126.626 120.400 -0.349 0.000 2.449 61 K HA 0.013 nan 4.320 nan 0.000 0.237 61 K C -1.088 175.292 176.600 -0.366 0.000 1.265 61 K CA -0.847 54.941 56.287 -0.832 0.000 1.193 61 K CB -2.036 30.124 32.500 -0.568 0.000 1.515 61 K HN 0.471 8.583 8.250 -0.229 0.000 0.259 62 L N -0.408 120.720 121.223 -0.158 0.000 2.352 62 L HA 0.124 nan 4.340 nan 0.000 0.269 62 L C -0.799 176.144 176.870 0.122 0.000 1.034 62 L CA -0.762 54.102 54.840 0.040 0.000 0.806 62 L CB 1.931 44.050 42.059 0.099 0.000 1.244 62 L HN -0.219 7.854 8.230 -0.171 0.054 0.447 63 I N -0.401 120.240 120.570 0.118 0.000 2.892 63 I HA 0.120 nan 4.170 nan 0.000 0.306 63 I C 0.278 176.467 176.117 0.121 0.000 1.078 63 I CA -2.170 59.201 61.300 0.119 0.000 1.032 63 I CB 2.565 40.637 38.000 0.120 0.000 1.229 63 I HN -0.192 8.084 8.210 0.109 0.000 0.435 64 A N 5.096 127.975 122.820 0.097 0.000 1.892 64 A HA -0.371 nan 4.320 nan 0.000 0.218 64 A C 2.093 179.770 177.584 0.155 0.000 1.188 64 A CA 3.884 55.984 52.037 0.104 0.000 0.631 64 A CB -0.602 18.433 19.000 0.058 0.000 0.822 64 A HN 0.582 8.783 8.150 0.085 0.000 0.447 65 K N -2.487 117.981 120.400 0.114 0.000 2.057 65 K HA -0.290 nan 4.320 nan 0.000 0.207 65 K C 2.353 179.002 176.600 0.082 0.000 1.049 65 K CA 3.359 59.703 56.287 0.094 0.000 0.931 65 K CB -0.428 32.116 32.500 0.073 0.000 0.714 65 K HN 0.120 8.432 8.250 0.102 0.000 0.440 66 E N -0.558 119.693 120.200 0.085 0.000 2.152 66 E HA -0.220 nan 4.350 nan 0.000 0.192 66 E C 1.858 178.478 176.600 0.033 0.000 0.983 66 E CA 2.245 58.675 56.400 0.051 0.000 0.818 66 E CB -0.771 28.960 29.700 0.052 0.000 0.758 66 E HN -0.453 7.965 8.360 0.097 0.000 0.467 67 Y N 1.081 121.381 120.300 0.001 0.000 2.145 67 Y HA -0.483 nan 4.550 nan 0.000 0.286 67 Y C 1.260 177.156 175.900 -0.007 0.000 1.145 67 Y CA 3.711 61.804 58.100 -0.012 0.000 1.148 67 Y CB -0.146 38.304 38.460 -0.017 0.000 0.981 67 Y HN -0.183 8.138 8.280 0.214 0.088 0.507 68 A N -1.672 121.156 122.820 0.013 0.000 1.883 68 A HA -0.430 nan 4.320 nan 0.000 0.217 68 A C 1.805 179.318 177.584 -0.118 0.000 1.186 68 A CA 3.138 55.152 52.037 -0.039 0.000 0.624 68 A CB -1.032 18.026 19.000 0.095 0.000 0.822 68 A HN 0.152 8.433 8.150 0.218 0.000 0.444 69 R N -0.932 119.527 120.500 -0.069 0.000 2.083 69 R HA -0.355 nan 4.340 nan 0.000 0.237 69 R C 2.299 178.535 176.300 -0.106 0.000 1.137 69 R CA 3.427 59.490 56.100 -0.062 0.000 0.951 69 R CB 0.052 30.335 30.300 -0.029 0.000 0.851 69 R HN -0.262 7.992 8.270 -0.026 0.000 0.434 70 M N -2.688 116.819 119.600 -0.153 0.000 2.213 70 M HA -0.268 nan 4.480 nan 0.000 0.263 70 M C 2.406 178.584 176.300 -0.203 0.000 1.062 70 M CA 3.457 58.657 55.300 -0.168 0.000 1.105 70 M CB -0.379 32.118 32.600 -0.171 0.000 1.385 70 M HN 0.026 8.223 8.290 -0.155 0.000 0.417 71 E N -0.906 119.112 120.200 -0.304 0.000 2.112 71 E HA -0.191 nan 4.350 nan 0.000 0.190 71 E C 2.359 178.888 176.600 -0.117 0.000 0.979 71 E CA 1.916 58.167 56.400 -0.247 0.000 0.814 71 E CB -0.548 28.929 29.700 -0.372 0.000 0.762 71 E HN -0.411 7.691 8.360 -0.409 0.012 0.460 72 A N 0.465 123.230 122.820 -0.092 0.000 1.908 72 A HA -0.250 nan 4.320 nan 0.000 0.218 72 A C 2.395 179.967 177.584 -0.020 0.000 1.181 72 A CA 3.331 55.352 52.037 -0.027 0.000 0.627 72 A CB -0.718 18.271 19.000 -0.017 0.000 0.818 72 A HN 0.379 8.454 8.150 -0.126 0.000 0.445 73 V N -1.587 118.302 119.914 -0.042 0.000 2.332 73 V HA -0.532 nan 4.120 nan 0.000 0.248 73 V C 2.167 178.235 176.094 -0.042 0.000 1.055 73 V CA 4.637 66.916 62.300 -0.036 0.000 1.038 73 V CB -1.063 30.733 31.823 -0.044 0.000 0.651 73 V HN -0.298 7.856 8.190 -0.060 0.000 0.450 74 K N -1.045 119.318 120.400 -0.062 0.000 2.025 74 K HA -0.391 nan 4.320 nan 0.000 0.207 74 K C 2.103 178.649 176.600 -0.091 0.000 1.049 74 K CA 3.670 59.910 56.287 -0.078 0.000 0.933 74 K CB -0.533 31.913 32.500 -0.089 0.000 0.714 74 K HN -0.755 7.362 8.250 -0.073 0.089 0.438 75 D N -0.098 120.270 120.400 -0.053 0.000 2.104 75 D HA -0.272 nan 4.640 nan 0.000 0.194 75 D C 2.350 178.682 176.300 0.053 0.000 0.994 75 D CA 3.313 57.305 54.000 -0.014 0.000 0.830 75 D CB -0.638 40.270 40.800 0.181 0.000 0.959 75 D HN -0.155 8.195 8.370 -0.034 0.000 0.452 76 E N -0.215 120.021 120.200 0.060 0.000 2.065 76 E HA -0.469 nan 4.350 nan 0.000 0.201 76 E C 2.728 179.342 176.600 0.024 0.000 1.016 76 E CA 3.250 59.686 56.400 0.060 0.000 0.818 76 E CB -0.070 29.644 29.700 0.023 0.000 0.749 76 E HN -0.033 8.350 8.360 0.038 0.000 0.453 77 R N -2.053 118.432 120.500 -0.026 0.000 2.080 77 R HA -0.359 nan 4.340 nan 0.000 0.236 77 R C 2.371 178.621 176.300 -0.084 0.000 1.137 77 R CA 3.206 59.278 56.100 -0.046 0.000 0.943 77 R CB -0.255 30.009 30.300 -0.061 0.000 0.846 77 R HN -0.570 7.680 8.270 -0.032 0.000 0.431 78 Q N -0.205 119.490 119.800 -0.175 0.000 1.993 78 Q HA -0.288 nan 4.340 nan 0.000 0.202 78 Q C 2.536 178.352 176.000 -0.306 0.000 0.984 78 Q CA 3.269 58.883 55.803 -0.314 0.000 0.837 78 Q CB -0.017 28.397 28.738 -0.541 0.000 0.902 78 Q HN -0.231 7.933 8.270 -0.177 0.000 0.423 79 F N -2.375 117.505 119.950 -0.116 0.000 2.293 79 F HA -0.189 nan 4.527 nan 0.000 0.300 79 F C 2.315 178.091 175.800 -0.041 0.000 1.086 79 F CA 2.823 60.751 58.000 -0.121 0.000 1.375 79 F CB -0.601 38.308 39.000 -0.151 0.000 1.045 79 F HN 0.431 8.556 8.300 -0.292 0.000 0.516 80 G N -0.765 108.102 108.800 0.112 0.000 2.433 80 G HA2 -0.426 nan 3.960 nan 0.000 0.216 80 G HA3 -0.426 nan 3.960 nan 0.000 0.216 80 G C 1.086 176.019 174.900 0.055 0.000 1.186 80 G CA 2.333 47.479 45.100 0.076 0.000 0.779 80 G HN -0.119 8.204 8.290 0.081 0.015 0.543 81 S N 3.285 118.992 115.700 0.012 0.000 2.359 81 S HA -0.338 nan 4.470 nan 0.000 0.224 81 S C 1.989 176.598 174.600 0.014 0.000 1.035 81 S CA 4.474 62.672 58.200 -0.004 0.000 1.018 81 S CB -0.233 62.940 63.200 -0.046 0.000 0.876 81 S HN -0.407 7.895 8.310 -0.013 0.000 0.448 82 L N 0.323 121.554 121.223 0.014 0.000 2.017 82 L HA -0.445 nan 4.340 nan 0.000 0.208 82 L C 2.142 179.150 176.870 0.231 0.000 1.073 82 L CA 3.413 58.283 54.840 0.050 0.000 0.745 82 L CB -0.332 41.774 42.059 0.079 0.000 0.894 82 L HN -0.082 8.142 8.230 -0.010 0.000 0.432 83 Q N -2.279 117.659 119.800 0.230 0.000 2.187 83 Q HA -0.235 nan 4.340 nan 0.000 0.199 83 Q C 1.684 177.775 176.000 0.151 0.000 0.957 83 Q CA 2.849 58.786 55.803 0.224 0.000 0.857 83 Q CB 0.370 29.224 28.738 0.193 0.000 0.929 83 Q HN -0.130 8.257 8.270 0.196 0.000 0.453 84 V N -1.826 118.155 119.914 0.112 0.000 3.114 84 V HA -0.044 nan 4.120 nan 0.000 0.202 84 V C 0.913 177.051 176.094 0.073 0.000 1.211 84 V CA 1.254 63.602 62.300 0.080 0.000 1.339 84 V CB -0.333 31.524 31.823 0.058 0.000 1.128 84 V HN -0.010 8.243 8.190 0.106 0.000 0.502 85 A N 0.122 122.973 122.820 0.053 0.000 1.892 85 A HA -0.345 nan 4.320 nan 0.000 0.218 85 A C 2.215 179.831 177.584 0.052 0.000 1.188 85 A CA 3.235 55.298 52.037 0.043 0.000 0.631 85 A CB -0.811 18.204 19.000 0.025 0.000 0.822 85 A HN -0.022 8.155 8.150 0.045 0.000 0.447 86 L N -4.934 116.320 121.223 0.052 0.000 2.083 86 L HA -0.435 nan 4.340 nan 0.000 0.209 86 L C 2.124 179.071 176.870 0.129 0.000 1.083 86 L CA 3.163 58.036 54.840 0.056 0.000 0.752 86 L CB -0.627 41.422 42.059 -0.017 0.000 0.899 86 L HN 0.137 8.394 8.230 0.044 0.000 0.433 87 T N 0.856 115.515 114.554 0.175 0.000 2.812 87 T HA -0.239 nan 4.350 nan 0.000 0.264 87 T C 2.691 177.456 174.700 0.109 0.000 1.042 87 T CA 4.177 66.391 62.100 0.191 0.000 1.140 87 T CB -0.680 68.298 68.868 0.183 0.000 0.870 87 T HN -0.489 7.838 8.240 0.160 0.009 0.445 88 R N 2.207 122.758 120.500 0.085 0.000 2.152 88 R HA -0.205 nan 4.340 nan 0.000 0.232 88 R C 1.633 177.967 176.300 0.056 0.000 1.117 88 R CA 2.634 58.770 56.100 0.060 0.000 0.981 88 R CB -0.112 30.216 30.300 0.048 0.000 0.870 88 R HN -0.081 8.171 8.270 0.088 0.071 0.451 89 L N -4.244 117.017 121.223 0.063 0.000 2.591 89 L HA 0.048 nan 4.340 nan 0.000 0.228 89 L C -0.789 176.124 176.870 0.072 0.000 1.133 89 L CA -0.420 54.455 54.840 0.057 0.000 0.880 89 L CB -0.414 41.675 42.059 0.049 0.000 1.033 89 L HN -0.399 7.756 8.230 0.070 0.118 0.450 90 N N -2.223 116.530 118.700 0.088 0.000 2.735 90 N HA -0.365 nan 4.740 nan 0.000 0.248 90 N C 0.730 176.319 175.510 0.130 0.000 1.083 90 N CA 0.575 53.685 53.050 0.100 0.000 0.703 90 N CB 0.086 38.618 38.487 0.075 0.000 1.005 90 N HN -0.284 7.938 8.380 0.090 0.212 0.550 91 A N -2.203 120.703 122.820 0.145 0.000 2.070 91 A HA -0.132 nan 4.320 nan 0.000 0.220 91 A C 0.646 178.366 177.584 0.227 0.000 1.159 91 A CA 2.729 54.854 52.037 0.148 0.000 0.656 91 A CB -0.446 18.604 19.000 0.084 0.000 0.800 91 A HN 0.198 8.422 8.150 0.141 0.010 0.453 92 G N -3.597 105.379 108.800 0.294 0.000 2.534 92 G HA2 -0.088 nan 3.960 nan 0.000 0.217 92 G HA3 -0.088 nan 3.960 nan 0.000 0.217 92 G C 0.546 175.669 174.900 0.371 0.000 1.128 92 G CA 0.936 46.257 45.100 0.370 0.000 0.784 92 G HN 0.117 8.542 8.290 0.290 0.039 0.542 93 V N 1.162 121.220 119.914 0.240 0.000 2.581 93 V HA -0.040 nan 4.120 nan 0.000 0.240 93 V C 1.698 177.893 176.094 0.168 0.000 1.054 93 V CA 1.875 64.285 62.300 0.182 0.000 1.076 93 V CB 0.263 32.156 31.823 0.116 0.000 0.748 93 V HN -0.399 7.759 8.190 0.204 0.155 0.474 94 R N -0.805 119.789 120.500 0.157 0.000 4.980 94 R HA -0.051 nan 4.340 nan 0.000 0.190 94 R C -0.892 175.504 176.300 0.160 0.000 2.095 94 R CA 0.318 56.497 56.100 0.132 0.000 1.717 94 R CB -2.157 28.204 30.300 0.102 0.000 1.337 94 R HN -0.524 7.841 8.270 0.159 0.000 0.820 95 V N -1.683 118.345 119.914 0.189 0.000 2.823 95 V HA 0.252 nan 4.120 nan 0.000 0.312 95 V C -0.529 175.693 176.094 0.214 0.000 1.072 95 V CA -1.913 60.527 62.300 0.233 0.000 0.937 95 V CB 2.983 34.991 31.823 0.308 0.000 1.013 95 V HN 0.029 8.248 8.190 0.172 0.075 0.430 96 H N 6.628 125.808 119.070 0.183 0.000 2.964 96 H HA 0.075 nan 4.556 nan 0.000 0.328 96 H C -0.786 174.628 175.328 0.145 0.000 1.030 96 H CA -0.059 56.080 56.048 0.152 0.000 1.445 96 H CB 1.505 31.351 29.762 0.140 0.000 1.449 96 H HN 0.220 8.718 8.280 0.362 0.000 0.581 97 P HA -0.369 nan 4.420 nan 0.000 0.218 97 P C 0.960 178.319 177.300 0.098 0.000 1.154 97 P CA 3.193 66.257 63.100 -0.061 0.000 0.872 97 P CB 0.243 31.844 31.700 -0.164 0.000 0.790 98 K N -2.947 117.636 120.400 0.306 0.000 2.063 98 K HA -0.312 nan 4.320 nan 0.000 0.208 98 K C 2.160 178.882 176.600 0.203 0.000 1.048 98 K CA 3.331 59.781 56.287 0.271 0.000 0.928 98 K CB -0.361 32.327 32.500 0.313 0.000 0.713 98 K HN -0.534 8.001 8.250 0.479 0.003 0.442 99 W N 0.449 121.808 121.300 0.097 0.000 2.388 99 W HA -0.330 nan 4.660 nan 0.000 0.294 99 W C 1.215 177.679 176.519 -0.092 0.000 1.212 99 W CA 2.243 59.596 57.345 0.014 0.000 1.271 99 W CB 0.342 29.843 29.460 0.067 0.000 1.126 99 W HN -0.455 7.963 8.180 0.538 0.085 0.535 100 N N -0.337 118.337 118.700 -0.044 0.000 2.137 100 N HA -0.406 nan 4.740 nan 0.000 0.190 100 N C 2.048 177.415 175.510 -0.238 0.000 1.017 100 N CA 3.946 56.869 53.050 -0.212 0.000 0.859 100 N CB -0.123 38.332 38.487 -0.055 0.000 1.002 100 N HN -0.245 8.211 8.380 0.127 0.000 0.428 101 E N -1.289 118.790 120.200 -0.201 0.000 2.046 101 E HA -0.141 nan 4.350 nan 0.000 0.190 101 E C 2.338 178.683 176.600 -0.425 0.000 0.982 101 E CA 2.336 58.584 56.400 -0.252 0.000 0.800 101 E CB -0.436 29.200 29.700 -0.107 0.000 0.756 101 E HN -0.546 7.653 8.360 -0.106 0.097 0.449 102 T N 3.617 117.885 114.554 -0.475 0.000 2.720 102 T HA -0.258 nan 4.350 nan 0.000 0.268 102 T C 2.188 176.449 174.700 -0.732 0.000 1.037 102 T CA 4.696 66.403 62.100 -0.655 0.000 1.144 102 T CB -0.420 67.993 68.868 -0.758 0.000 0.864 102 T HN -0.017 8.006 8.240 -0.361 0.000 0.444 103 M N -0.999 118.135 119.600 -0.777 0.000 2.358 103 M HA -0.226 nan 4.480 nan 0.000 0.264 103 M C 1.868 178.038 176.300 -0.217 0.000 1.064 103 M CA 0.896 55.892 55.300 -0.508 0.000 1.093 103 M CB -1.623 30.680 32.600 -0.494 0.000 1.401 103 M HN 0.169 7.932 8.290 -0.868 0.006 0.440 104 K N -0.054 120.096 120.400 -0.416 0.000 2.026 104 K HA -0.287 nan 4.320 nan 0.000 0.208 104 K C 2.257 178.761 176.600 -0.160 0.000 1.048 104 K CA 3.410 59.469 56.287 -0.380 0.000 0.929 104 K CB -0.372 31.786 32.500 -0.569 0.000 0.713 104 K HN -0.360 7.414 8.250 -0.540 0.152 0.439 105 V N 0.524 120.137 119.914 -0.501 0.000 2.323 105 V HA -0.229 nan 4.120 nan 0.000 0.244 105 V C 1.944 177.795 176.094 -0.405 0.000 1.041 105 V CA 4.020 65.906 62.300 -0.690 0.000 1.025 105 V CB -0.557 30.577 31.823 -1.148 0.000 0.656 105 V HN -0.603 7.200 8.190 -0.645 0.000 0.451 106 V N -0.715 119.014 119.914 -0.308 0.000 2.287 106 V HA -0.558 nan 4.120 nan 0.000 0.248 106 V C 1.886 178.098 176.094 0.196 0.000 1.053 106 V CA 5.123 67.382 62.300 -0.069 0.000 1.027 106 V CB -0.830 30.905 31.823 -0.146 0.000 0.646 106 V HN 0.463 8.390 8.190 -0.438 0.000 0.447 107 S N -1.811 114.015 115.700 0.210 0.000 2.371 107 S HA -0.310 nan 4.470 nan 0.000 0.224 107 S C 2.074 176.895 174.600 0.369 0.000 1.029 107 S CA 3.000 61.429 58.200 0.382 0.000 0.978 107 S CB -0.308 63.126 63.200 0.390 0.000 0.833 107 S HN -0.137 8.113 8.310 0.081 0.109 0.466 108 N N 1.800 120.697 118.700 0.329 0.000 2.250 108 N HA -0.201 nan 4.740 nan 0.000 0.181 108 N C 2.211 178.038 175.510 0.529 0.000 1.017 108 N CA 3.075 56.340 53.050 0.358 0.000 0.866 108 N CB -0.032 38.619 38.487 0.272 0.000 0.985 108 N HN -0.591 7.944 8.380 0.258 0.000 0.429 109 F N -0.843 119.278 119.950 0.286 0.000 2.163 109 F HA -0.172 nan 4.527 nan 0.000 0.297 109 F C 2.010 178.035 175.800 0.375 0.000 1.094 109 F CA 1.533 59.755 58.000 0.369 0.000 1.290 109 F CB -0.397 38.800 39.000 0.329 0.000 1.017 109 F HN 0.187 8.810 8.300 0.538 0.000 0.483 110 L N -0.960 120.582 121.223 0.532 0.000 2.131 110 L HA -0.366 nan 4.340 nan 0.000 0.210 110 L C 1.321 178.438 176.870 0.412 0.000 1.092 110 L CA 3.104 58.225 54.840 0.469 0.000 0.759 110 L CB -0.163 42.105 42.059 0.348 0.000 0.903 110 L HN -0.218 8.308 8.230 0.493 0.000 0.435 111 E N -0.239 120.191 120.200 0.384 0.000 2.085 111 E HA -0.450 nan 4.350 nan 0.000 0.194 111 E C 2.203 179.011 176.600 0.347 0.000 0.994 111 E CA 3.635 60.233 56.400 0.331 0.000 0.801 111 E CB -0.048 29.831 29.700 0.298 0.000 0.743 111 E HN -0.319 8.186 8.360 0.405 0.098 0.453 112 V N -0.803 119.343 119.914 0.387 0.000 2.515 112 V HA -0.229 nan 4.120 nan 0.000 0.250 112 V C 1.548 177.847 176.094 0.341 0.000 1.058 112 V CA 3.779 66.308 62.300 0.380 0.000 1.064 112 V CB -0.672 31.416 31.823 0.441 0.000 0.675 112 V HN -0.480 7.882 8.190 0.426 0.084 0.461 113 G N -1.371 107.656 108.800 0.378 0.000 2.402 113 G HA2 -0.276 nan 3.960 nan 0.000 0.216 113 G HA3 -0.276 nan 3.960 nan 0.000 0.216 113 G C 1.361 176.417 174.900 0.259 0.000 1.162 113 G CA 2.161 47.428 45.100 0.279 0.000 0.777 113 G HN -0.579 7.888 8.290 0.467 0.103 0.539 114 E N 2.243 122.600 120.200 0.262 0.000 2.077 114 E HA -0.350 nan 4.350 nan 0.000 0.193 114 E C 2.054 178.744 176.600 0.150 0.000 0.989 114 E CA 2.673 59.195 56.400 0.202 0.000 0.800 114 E CB -0.552 29.294 29.700 0.244 0.000 0.746 114 E HN -0.108 8.439 8.360 0.312 0.000 0.452 115 Y N 0.749 121.118 120.300 0.115 0.000 2.114 115 Y HA -0.416 nan 4.550 nan 0.000 0.284 115 Y C 2.512 178.458 175.900 0.077 0.000 1.143 115 Y CA 3.616 61.762 58.100 0.077 0.000 1.135 115 Y CB 0.165 38.680 38.460 0.092 0.000 0.980 115 Y HN 0.160 8.595 8.280 0.366 0.065 0.499 116 N N -0.585 118.188 118.700 0.120 0.000 2.289 116 N HA -0.366 nan 4.740 nan 0.000 0.184 116 N C 1.750 177.280 175.510 0.033 0.000 1.016 116 N CA 3.311 56.402 53.050 0.068 0.000 0.872 116 N CB -0.410 38.182 38.487 0.175 0.000 0.973 116 N HN 0.293 8.738 8.380 0.288 0.108 0.433 117 A N -0.223 122.626 122.820 0.047 0.000 2.067 117 A HA -0.168 nan 4.320 nan 0.000 0.219 117 A C 1.571 179.032 177.584 -0.205 0.000 1.158 117 A CA 2.701 54.646 52.037 -0.152 0.000 0.661 117 A CB -0.871 18.000 19.000 -0.214 0.000 0.801 117 A HN 0.001 8.116 8.150 0.123 0.109 0.452 118 I N -0.948 119.491 120.570 -0.218 0.000 2.163 118 I HA -0.561 nan 4.170 nan 0.000 0.240 118 I C 1.592 177.593 176.117 -0.192 0.000 1.081 118 I CA 3.922 65.087 61.300 -0.224 0.000 1.353 118 I CB -0.241 37.576 38.000 -0.306 0.000 1.054 118 I HN -0.413 7.518 8.210 -0.229 0.141 0.407 119 A N -1.526 121.157 122.820 -0.228 0.000 1.902 119 A HA -0.328 nan 4.320 nan 0.000 0.217 119 A C 1.878 179.357 177.584 -0.176 0.000 1.181 119 A CA 3.008 54.942 52.037 -0.172 0.000 0.623 119 A CB -1.035 17.875 19.000 -0.151 0.000 0.818 119 A HN -0.612 7.359 8.150 -0.298 0.000 0.443 120 A N -2.719 119.995 122.820 -0.175 0.000 1.883 120 A HA -0.358 nan 4.320 nan 0.000 0.217 120 A C 1.983 179.405 177.584 -0.269 0.000 1.186 120 A CA 3.332 55.238 52.037 -0.218 0.000 0.624 120 A CB -0.522 18.338 19.000 -0.233 0.000 0.822 120 A HN 0.295 8.354 8.150 -0.152 0.000 0.444 121 T N -4.274 110.140 114.554 -0.233 0.000 2.995 121 T HA -0.137 nan 4.350 nan 0.000 0.269 121 T C 2.310 176.973 174.700 -0.062 0.000 1.091 121 T CA 3.404 65.382 62.100 -0.203 0.000 1.128 121 T CB -0.528 68.249 68.868 -0.151 0.000 0.891 121 T HN -0.159 7.950 8.240 -0.218 0.000 0.492 122 G N 2.136 110.917 108.800 -0.033 0.000 2.402 122 G HA2 -0.279 nan 3.960 nan 0.000 0.216 122 G HA3 -0.279 nan 3.960 nan 0.000 0.216 122 G C 0.464 175.267 174.900 -0.161 0.000 1.162 122 G CA 1.772 46.908 45.100 0.060 0.000 0.777 122 G HN -0.177 7.936 8.290 -0.093 0.121 0.539 123 M N 2.550 121.970 119.600 -0.300 0.000 2.159 123 M HA -0.314 nan 4.480 nan 0.000 0.263 123 M C 1.653 177.717 176.300 -0.393 0.000 1.063 123 M CA 3.643 58.639 55.300 -0.507 0.000 1.110 123 M CB 0.082 32.297 32.600 -0.641 0.000 1.374 123 M HN -0.188 7.860 8.290 -0.274 0.078 0.411 124 L N -1.831 119.138 121.223 -0.423 0.000 2.109 124 L HA -0.328 nan 4.340 nan 0.000 0.207 124 L C 1.639 178.284 176.870 -0.374 0.000 1.086 124 L CA 2.703 57.144 54.840 -0.665 0.000 0.760 124 L CB -0.516 40.749 42.059 -1.323 0.000 0.910 124 L HN -0.073 7.831 8.230 -0.402 0.086 0.437 125 W N 0.220 121.354 121.300 -0.275 0.000 2.358 125 W HA -0.415 nan 4.660 nan 0.000 0.303 125 W C 1.085 177.616 176.519 0.019 0.000 1.208 125 W CA 1.628 58.990 57.345 0.029 0.000 1.274 125 W CB -0.674 28.795 29.460 0.016 0.000 1.138 125 W HN 0.331 8.328 8.180 0.006 0.187 0.515 126 D N -1.731 118.613 120.400 -0.094 0.000 2.144 126 D HA -0.339 nan 4.640 nan 0.000 0.200 126 D C 2.211 178.518 176.300 0.011 0.000 0.978 126 D CA 3.321 57.241 54.000 -0.133 0.000 0.833 126 D CB -0.052 40.699 40.800 -0.082 0.000 0.961 126 D HN -0.208 8.000 8.370 -0.145 0.074 0.470 127 S N 0.332 116.036 115.700 0.007 0.000 2.368 127 S HA -0.266 nan 4.470 nan 0.000 0.224 127 S C -0.014 174.634 174.600 0.080 0.000 1.029 127 S CA 2.216 60.436 58.200 0.033 0.000 0.988 127 S CB 0.182 63.367 63.200 -0.026 0.000 0.838 127 S HN -0.447 7.729 8.310 -0.063 0.096 0.462 128 A N -0.469 122.447 122.820 0.160 0.000 2.462 128 A HA -0.060 nan 4.320 nan 0.000 0.243 128 A C -0.297 177.363 177.584 0.126 0.000 1.076 128 A CA 0.684 52.840 52.037 0.199 0.000 0.773 128 A CB 0.623 19.829 19.000 0.343 0.000 1.010 128 A HN -0.368 7.889 8.150 0.178 0.000 0.493 129 Q N 0.273 120.117 119.800 0.073 0.000 2.402 129 Q HA -0.011 nan 4.340 nan 0.000 0.231 129 Q C -0.140 175.878 176.000 0.030 0.000 0.888 129 Q CA 0.320 56.139 55.803 0.026 0.000 0.938 129 Q CB 0.693 29.425 28.738 -0.011 0.000 1.086 129 Q HN 0.688 9.000 8.270 0.070 0.000 0.543 130 A N -0.677 122.163 122.820 0.034 0.000 2.450 130 A HA 0.058 nan 4.320 nan 0.000 0.255 130 A C 0.276 177.877 177.584 0.029 0.000 1.096 130 A CA -0.103 51.945 52.037 0.019 0.000 0.778 130 A CB 0.917 19.915 19.000 -0.003 0.000 1.031 130 A HN -0.197 7.977 8.150 0.040 0.000 0.494 131 A N 4.561 127.395 122.820 0.023 0.000 1.908 131 A HA -0.344 nan 4.320 nan 0.000 0.218 131 A C 2.255 179.816 177.584 -0.038 0.000 1.181 131 A CA 3.243 55.292 52.037 0.020 0.000 0.627 131 A CB -0.606 18.404 19.000 0.017 0.000 0.818 131 A HN 0.764 8.928 8.150 0.022 0.000 0.445 132 E N -2.286 117.870 120.200 -0.073 0.000 2.110 132 E HA -0.454 nan 4.350 nan 0.000 0.193 132 E C 2.426 178.987 176.600 -0.066 0.000 0.988 132 E CA 3.420 59.780 56.400 -0.067 0.000 0.804 132 E CB -0.487 29.179 29.700 -0.056 0.000 0.745 132 E HN 0.349 8.665 8.360 -0.073 0.000 0.458 133 Q N -0.113 119.640 119.800 -0.077 0.000 2.079 133 Q HA -0.258 nan 4.340 nan 0.000 0.200 133 Q C 2.186 178.097 176.000 -0.148 0.000 0.974 133 Q CA 3.094 58.795 55.803 -0.170 0.000 0.840 133 Q CB -0.333 28.341 28.738 -0.108 0.000 0.898 133 Q HN -0.504 7.737 8.270 -0.048 0.000 0.430 134 K N -0.849 119.576 120.400 0.042 0.000 2.063 134 K HA -0.438 nan 4.320 nan 0.000 0.208 134 K C 2.545 179.106 176.600 -0.065 0.000 1.048 134 K CA 3.601 59.980 56.287 0.153 0.000 0.928 134 K CB -0.348 32.280 32.500 0.213 0.000 0.713 134 K HN -0.014 8.267 8.250 0.051 0.000 0.442 135 N N -0.899 117.739 118.700 -0.103 0.000 2.166 135 N HA -0.242 nan 4.740 nan 0.000 0.186 135 N C 2.289 177.721 175.510 -0.130 0.000 1.019 135 N CA 2.990 55.956 53.050 -0.140 0.000 0.856 135 N CB -0.267 38.184 38.487 -0.060 0.000 0.993 135 N HN 0.058 8.216 8.380 -0.063 0.185 0.426 136 G N -0.706 108.014 108.800 -0.133 0.000 2.402 136 G HA2 -0.258 nan 3.960 nan 0.000 0.216 136 G HA3 -0.258 nan 3.960 nan 0.000 0.216 136 G C 1.598 176.420 174.900 -0.130 0.000 1.162 136 G CA 2.145 47.164 45.100 -0.136 0.000 0.777 136 G HN -0.088 8.006 8.290 -0.148 0.108 0.539 137 Y N 1.530 121.786 120.300 -0.074 0.000 2.293 137 Y HA -0.202 nan 4.550 nan 0.000 0.291 137 Y C 2.164 177.955 175.900 -0.182 0.000 1.137 137 Y CA 1.665 59.708 58.100 -0.095 0.000 1.202 137 Y CB -0.507 37.949 38.460 -0.006 0.000 0.990 137 Y HN -0.424 7.708 8.280 -0.246 0.000 0.537 138 L N -0.816 120.312 121.223 -0.158 0.000 2.046 138 L HA -0.489 nan 4.340 nan 0.000 0.208 138 L C 1.787 178.444 176.870 -0.354 0.000 1.077 138 L CA 3.035 57.630 54.840 -0.408 0.000 0.747 138 L CB -0.606 41.088 42.059 -0.609 0.000 0.896 138 L HN 0.091 8.130 8.230 -0.156 0.098 0.432 139 A N -2.189 120.451 122.820 -0.300 0.000 1.902 139 A HA -0.437 nan 4.320 nan 0.000 0.217 139 A C 1.826 179.265 177.584 -0.241 0.000 1.181 139 A CA 3.096 54.914 52.037 -0.365 0.000 0.623 139 A CB -0.980 17.934 19.000 -0.142 0.000 0.818 139 A HN -0.350 7.665 8.150 -0.226 0.000 0.443 140 Q N -1.314 118.380 119.800 -0.176 0.000 2.167 140 Q HA -0.293 nan 4.340 nan 0.000 0.202 140 Q C 2.189 178.028 176.000 -0.267 0.000 0.970 140 Q CA 3.157 58.781 55.803 -0.298 0.000 0.855 140 Q CB 0.086 28.542 28.738 -0.471 0.000 0.911 140 Q HN -0.567 7.543 8.270 -0.139 0.076 0.438 141 V N 1.605 121.397 119.914 -0.203 0.000 2.287 141 V HA -0.403 nan 4.120 nan 0.000 0.248 141 V C 2.328 178.326 176.094 -0.160 0.000 1.053 141 V CA 4.588 66.797 62.300 -0.153 0.000 1.027 141 V CB -0.902 30.872 31.823 -0.082 0.000 0.646 141 V HN -0.055 7.925 8.190 -0.185 0.099 0.447 142 L N -2.262 118.829 121.223 -0.220 0.000 2.093 142 L HA -0.350 nan 4.340 nan 0.000 0.208 142 L C 2.283 179.130 176.870 -0.039 0.000 1.085 142 L CA 3.106 57.845 54.840 -0.168 0.000 0.755 142 L CB -1.734 40.068 42.059 -0.428 0.000 0.904 142 L HN -0.175 7.874 8.230 -0.301 0.000 0.435 143 D N 0.039 120.405 120.400 -0.057 0.000 2.117 143 D HA -0.275 nan 4.640 nan 0.000 0.197 143 D C 2.637 178.681 176.300 -0.427 0.000 0.987 143 D CA 3.739 57.666 54.000 -0.122 0.000 0.829 143 D CB -0.516 40.313 40.800 0.048 0.000 0.961 143 D HN 0.215 8.409 8.370 -0.117 0.106 0.460 144 E N -0.639 119.388 120.200 -0.287 0.000 2.204 144 E HA -0.215 nan 4.350 nan 0.000 0.194 144 E C 2.626 179.161 176.600 -0.108 0.000 0.989 144 E CA 2.388 58.660 56.400 -0.213 0.000 0.824 144 E CB -0.471 29.129 29.700 -0.167 0.000 0.756 144 E HN 0.065 8.287 8.360 -0.229 0.000 0.477 145 I N 0.363 120.877 120.570 -0.092 0.000 2.286 145 I HA -0.464 nan 4.170 nan 0.000 0.245 145 I C 1.515 177.634 176.117 0.003 0.000 1.104 145 I CA 3.933 65.199 61.300 -0.057 0.000 1.397 145 I CB -0.329 37.682 38.000 0.019 0.000 1.072 145 I HN -0.565 7.478 8.210 -0.103 0.106 0.417 146 R N -0.058 120.481 120.500 0.066 0.000 2.083 146 R HA -0.483 nan 4.340 nan 0.000 0.237 146 R C 2.265 178.724 176.300 0.264 0.000 1.137 146 R CA 4.037 60.248 56.100 0.185 0.000 0.951 146 R CB -0.210 30.183 30.300 0.154 0.000 0.851 146 R HN -0.228 7.969 8.270 0.008 0.077 0.434 147 H N -2.123 117.005 119.070 0.097 0.000 2.387 147 H HA -0.236 nan 4.556 nan 0.000 0.299 147 H C 2.463 177.855 175.328 0.106 0.000 1.090 147 H CA 2.748 58.844 56.048 0.080 0.000 1.332 147 H CB -0.058 29.736 29.762 0.053 0.000 1.386 147 H HN 0.330 8.467 8.280 -0.061 0.106 0.516 148 T N 2.687 117.353 114.554 0.188 0.000 2.674 148 T HA -0.347 nan 4.350 nan 0.000 0.265 148 T C 2.042 176.837 174.700 0.158 0.000 1.039 148 T CA 5.602 67.785 62.100 0.137 0.000 1.150 148 T CB -0.570 68.316 68.868 0.031 0.000 0.864 148 T HN 0.118 8.356 8.240 0.125 0.078 0.427 149 H N 1.085 120.308 119.070 0.254 0.000 2.457 149 H HA -0.272 nan 4.556 nan 0.000 0.294 149 H C 2.597 178.110 175.328 0.307 0.000 1.064 149 H CA 3.093 59.294 56.048 0.255 0.000 1.330 149 H CB -0.088 29.806 29.762 0.220 0.000 1.395 149 H HN -0.147 8.126 8.280 -0.011 0.000 0.541 150 Q N 0.177 120.206 119.800 0.382 0.000 2.049 150 Q HA -0.294 nan 4.340 nan 0.000 0.198 150 Q C 2.378 178.604 176.000 0.377 0.000 0.971 150 Q CA 3.558 59.557 55.803 0.327 0.000 0.833 150 Q CB 0.121 28.978 28.738 0.199 0.000 0.896 150 Q HN -0.133 8.222 8.270 0.341 0.120 0.434 151 C N -0.754 118.750 119.300 0.341 0.000 2.425 151 C HA -0.281 nan 4.460 nan 0.000 0.277 151 C C 1.966 177.190 174.990 0.389 0.000 1.280 151 C CA 3.982 63.231 59.018 0.386 0.000 1.744 151 C CB -1.744 26.194 27.740 0.329 0.000 1.989 151 C HN 0.215 8.620 8.230 0.293 0.000 0.491 152 A N -0.126 122.911 122.820 0.362 0.000 1.902 152 A HA -0.292 nan 4.320 nan 0.000 0.217 152 A C 1.353 179.158 177.584 0.369 0.000 1.181 152 A CA 3.166 55.408 52.037 0.341 0.000 0.623 152 A CB -0.996 18.203 19.000 0.332 0.000 0.818 152 A HN 0.113 8.466 8.150 0.349 0.006 0.443 153 Y N -0.931 119.538 120.300 0.283 0.000 2.242 153 Y HA -0.441 nan 4.550 nan 0.000 0.291 153 Y C 2.064 178.150 175.900 0.310 0.000 1.137 153 Y CA 4.217 62.475 58.100 0.264 0.000 1.181 153 Y CB 0.263 38.893 38.460 0.284 0.000 0.989 153 Y HN -0.374 8.121 8.280 0.519 0.096 0.527 154 V N -0.005 120.181 119.914 0.454 0.000 2.295 154 V HA -0.592 nan 4.120 nan 0.000 0.246 154 V C 1.940 178.240 176.094 0.344 0.000 1.049 154 V CA 4.905 67.417 62.300 0.352 0.000 1.024 154 V CB -1.070 30.988 31.823 0.392 0.000 0.648 154 V HN 0.090 8.484 8.190 0.483 0.086 0.447 155 N N -0.485 118.446 118.700 0.386 0.000 2.188 155 N HA -0.285 nan 4.740 nan 0.000 0.184 155 N C 2.011 177.676 175.510 0.259 0.000 1.018 155 N CA 3.328 56.613 53.050 0.391 0.000 0.858 155 N CB -0.098 38.635 38.487 0.409 0.000 0.989 155 N HN -0.487 8.130 8.380 0.394 0.000 0.426 156 Y N 2.481 122.820 120.300 0.064 0.000 2.145 156 Y HA -0.460 nan 4.550 nan 0.000 0.286 156 Y C 1.668 177.485 175.900 -0.139 0.000 1.145 156 Y CA 4.473 62.530 58.100 -0.071 0.000 1.148 156 Y CB 0.105 38.439 38.460 -0.210 0.000 0.981 156 Y HN -0.002 8.403 8.280 0.342 0.080 0.507 157 Y N -0.014 120.270 120.300 -0.027 0.000 2.114 157 Y HA -0.544 nan 4.550 nan 0.000 0.284 157 Y C 1.693 177.465 175.900 -0.214 0.000 1.143 157 Y CA 4.393 62.406 58.100 -0.146 0.000 1.135 157 Y CB 0.052 38.400 38.460 -0.186 0.000 0.980 157 Y HN 0.285 8.570 8.280 0.194 0.111 0.499 158 F N -2.240 117.743 119.950 0.054 0.000 2.216 158 F HA -0.462 nan 4.527 nan 0.000 0.300 158 F C 2.246 177.889 175.800 -0.262 0.000 1.085 158 F CA 3.662 61.532 58.000 -0.217 0.000 1.326 158 F CB -0.767 37.782 39.000 -0.753 0.000 1.027 158 F HN 0.057 8.370 8.300 0.023 0.000 0.497 159 A N -1.414 121.376 122.820 -0.050 0.000 1.897 159 A HA -0.244 nan 4.320 nan 0.000 0.215 159 A C 1.347 178.865 177.584 -0.110 0.000 1.181 159 A CA 2.515 54.538 52.037 -0.024 0.000 0.620 159 A CB -0.616 18.371 19.000 -0.022 0.000 0.821 159 A HN 0.002 8.040 8.150 -0.035 0.091 0.443 160 K N -1.542 118.724 120.400 -0.224 0.000 2.057 160 K HA -0.252 nan 4.320 nan 0.000 0.206 160 K C 1.625 178.093 176.600 -0.221 0.000 1.050 160 K CA 2.271 58.395 56.287 -0.272 0.000 0.935 160 K CB 0.576 32.855 32.500 -0.369 0.000 0.715 160 K HN 0.022 8.054 8.250 -0.242 0.073 0.439 161 N N -5.342 113.209 118.700 -0.247 0.000 2.171 161 N HA 0.132 nan 4.740 nan 0.000 0.212 161 N C -0.710 174.804 175.510 0.006 0.000 1.184 161 N CA -0.187 52.759 53.050 -0.173 0.000 0.888 161 N CB 2.116 40.385 38.487 -0.362 0.000 1.038 161 N HN 0.047 8.265 8.380 -0.271 0.000 0.517 162 G N -0.082 108.767 108.800 0.081 0.000 2.557 162 G HA2 0.251 nan 3.960 nan 0.000 0.302 162 G HA3 0.251 nan 3.960 nan 0.000 0.302 162 G C -0.716 174.257 174.900 0.122 0.000 1.311 162 G CA -0.816 44.396 45.100 0.187 0.000 1.030 162 G HN -0.456 7.857 8.290 0.039 0.000 0.509 163 Q N -3.337 116.540 119.800 0.129 0.000 2.311 163 Q HA -0.229 nan 4.340 nan 0.000 0.203 163 Q C -0.064 175.983 176.000 0.079 0.000 0.954 163 Q CA 1.366 57.221 55.803 0.087 0.000 0.885 163 Q CB 0.541 29.323 28.738 0.073 0.000 0.963 163 Q HN 0.440 8.807 8.270 0.162 0.000 0.471 164 D N -1.489 118.977 120.400 0.110 0.000 2.337 164 D HA 0.423 nan 4.640 nan 0.000 0.238 164 D C -1.628 174.780 176.300 0.179 0.000 1.331 164 D CA -2.502 51.562 54.000 0.106 0.000 0.967 164 D CB 2.120 42.963 40.800 0.072 0.000 1.382 164 D HN -0.553 7.875 8.370 0.142 0.027 0.549 165 P HA -0.042 nan 4.420 nan 0.000 0.222 165 P C -0.812 176.584 177.300 0.160 0.000 1.153 165 P CA 0.483 63.683 63.100 0.166 0.000 0.798 165 P CB 0.576 32.316 31.700 0.068 0.000 0.796 166 A N -2.522 120.359 122.820 0.101 0.000 2.546 166 A HA -0.260 nan 4.320 nan 0.000 0.243 166 A C 0.428 178.067 177.584 0.092 0.000 1.063 166 A CA 1.401 53.484 52.037 0.077 0.000 0.757 166 A CB -0.208 18.821 19.000 0.048 0.000 0.991 166 A HN -0.688 7.637 8.150 0.085 -0.125 0.503 167 G N 3.998 112.873 108.800 0.125 0.000 2.812 167 G HA2 -0.499 nan 3.960 nan 0.000 0.219 167 G HA3 -0.499 nan 3.960 nan 0.000 0.219 167 G C 0.856 175.884 174.900 0.215 0.000 1.275 167 G CA 1.428 46.667 45.100 0.232 0.000 0.769 167 G HN 0.034 8.509 8.290 0.102 -0.124 0.527 168 H N 3.705 122.877 119.070 0.170 0.000 2.423 168 H HA -0.160 nan 4.556 nan 0.000 0.297 168 H C 0.678 176.074 175.328 0.113 0.000 1.075 168 H CA 3.078 59.222 56.048 0.160 0.000 1.342 168 H CB 0.094 29.948 29.762 0.152 0.000 1.395 168 H HN -0.369 7.902 8.280 0.135 0.090 0.530 169 N N -2.602 116.215 118.700 0.194 0.000 2.422 169 N HA -0.085 nan 4.740 nan 0.000 0.181 169 N C -0.358 175.176 175.510 0.040 0.000 1.080 169 N CA 0.746 53.846 53.050 0.085 0.000 0.893 169 N CB 0.762 39.268 38.487 0.032 0.000 0.973 169 N HN -0.034 8.447 8.380 0.194 0.015 0.456 170 D N -4.634 115.786 120.400 0.033 0.000 2.672 170 D HA 0.119 nan 4.640 nan 0.000 0.287 170 D C 0.168 176.397 176.300 -0.118 0.000 1.559 170 D CA -0.470 53.510 54.000 -0.034 0.000 0.796 170 D CB -0.894 39.884 40.800 -0.037 0.000 1.181 170 D HN -0.672 7.578 8.370 0.071 0.162 0.458 171 A N 1.222 123.958 122.820 -0.139 0.000 1.986 171 A HA -0.429 nan 4.320 nan 0.000 0.220 171 A C 1.670 178.956 177.584 -0.498 0.000 1.171 171 A CA 3.265 55.029 52.037 -0.455 0.000 0.640 171 A CB -0.645 18.175 19.000 -0.300 0.000 0.811 171 A HN -0.311 7.826 8.150 -0.021 0.000 0.451 172 R N -2.912 117.421 120.500 -0.279 0.000 2.200 172 R HA -0.312 nan 4.340 nan 0.000 0.234 172 R C 1.745 177.880 176.300 -0.276 0.000 1.127 172 R CA 2.832 58.773 56.100 -0.264 0.000 0.989 172 R CB -0.244 29.976 30.300 -0.132 0.000 0.869 172 R HN 0.307 8.451 8.270 -0.167 0.026 0.459 173 R N -4.896 115.460 120.500 -0.240 0.000 2.257 173 R HA 0.148 nan 4.340 nan 0.000 0.195 173 R C 2.513 178.695 176.300 -0.198 0.000 0.921 173 R CA 1.527 57.526 56.100 -0.169 0.000 1.069 173 R CB 0.598 30.857 30.300 -0.069 0.000 1.115 173 R HN -0.246 7.750 8.270 -0.223 0.140 0.571 174 T N -1.170 113.228 114.554 -0.261 0.000 3.023 174 T HA 0.071 nan 4.350 nan 0.000 0.266 174 T C 1.786 176.266 174.700 -0.367 0.000 1.093 174 T CA 2.831 64.797 62.100 -0.224 0.000 1.129 174 T CB -0.571 68.242 68.868 -0.092 0.000 0.899 174 T HN 0.492 8.458 8.240 -0.279 0.107 0.491 175 R N 0.396 120.441 120.500 -0.757 0.000 2.159 175 R HA -0.268 nan 4.340 nan 0.000 0.237 175 R C 2.049 178.074 176.300 -0.458 0.000 1.131 175 R CA 2.914 58.515 56.100 -0.833 0.000 0.982 175 R CB -0.952 28.511 30.300 -1.395 0.000 0.868 175 R HN 0.164 7.818 8.270 -0.804 0.133 0.453 176 T N -4.422 109.919 114.554 -0.354 0.000 3.072 176 T HA -0.119 nan 4.350 nan 0.000 0.266 176 T C 0.750 175.501 174.700 0.085 0.000 1.127 176 T CA 2.030 64.103 62.100 -0.045 0.000 1.107 176 T CB -0.729 68.132 68.868 -0.011 0.000 0.910 176 T HN -0.599 7.377 8.240 -0.377 0.038 0.513 177 I N -0.980 119.620 120.570 0.051 0.000 2.406 177 I HA -0.079 nan 4.170 nan 0.000 0.249 177 I C 0.707 176.917 176.117 0.155 0.000 1.122 177 I CA 1.649 63.002 61.300 0.087 0.000 1.431 177 I CB 0.266 38.266 38.000 0.000 0.000 1.087 177 I HN -0.656 7.491 8.210 -0.012 0.056 0.424 178 G N -2.519 106.390 108.800 0.183 0.000 2.462 178 G HA2 0.382 nan 3.960 nan 0.000 0.319 178 G HA3 0.382 nan 3.960 nan 0.000 0.319 178 G C -1.960 173.062 174.900 0.202 0.000 1.171 178 G CA -2.226 42.993 45.100 0.199 0.000 0.920 178 G HN -0.790 7.623 8.290 0.205 0.000 0.499 179 P HA -0.048 nan 4.420 nan 0.000 0.220 179 P C 1.129 178.527 177.300 0.164 0.000 1.152 179 P CA 1.728 64.863 63.100 0.058 0.000 0.812 179 P CB 0.283 31.963 31.700 -0.033 0.000 0.792 180 L N -3.936 117.465 121.223 0.297 0.000 2.131 180 L HA -0.210 nan 4.340 nan 0.000 0.210 180 L C 2.315 179.440 176.870 0.424 0.000 1.092 180 L CA 2.182 57.266 54.840 0.407 0.000 0.759 180 L CB -0.598 41.752 42.059 0.486 0.000 0.903 180 L HN -0.262 8.163 8.230 0.324 0.000 0.435 181 W N -0.812 120.579 121.300 0.152 0.000 2.363 181 W HA -0.400 nan 4.660 nan 0.000 0.296 181 W C 0.729 177.073 176.519 -0.291 0.000 1.212 181 W CA 2.890 60.088 57.345 -0.244 0.000 1.260 181 W CB 0.130 29.539 29.460 -0.085 0.000 1.131 181 W HN -0.598 7.918 8.180 0.593 0.020 0.530 182 K N -2.335 117.901 120.400 -0.273 0.000 2.032 182 K HA -0.364 nan 4.320 nan 0.000 0.209 182 K C 2.527 178.846 176.600 -0.468 0.000 1.048 182 K CA 3.083 59.123 56.287 -0.412 0.000 0.927 182 K CB -0.859 31.527 32.500 -0.190 0.000 0.712 182 K HN -0.751 7.502 8.250 0.005 0.000 0.441 183 G N -2.413 106.191 108.800 -0.328 0.000 2.432 183 G HA2 -0.258 nan 3.960 nan 0.000 0.219 183 G HA3 -0.258 nan 3.960 nan 0.000 0.219 183 G C 1.105 175.265 174.900 -1.234 0.000 1.135 183 G CA 1.776 46.595 45.100 -0.468 0.000 0.767 183 G HN -0.609 7.605 8.290 -0.127 0.000 0.550 184 M N 1.641 120.478 119.600 -1.272 0.000 2.175 184 M HA -0.229 nan 4.480 nan 0.000 0.264 184 M C 1.514 177.217 176.300 -0.994 0.000 1.063 184 M CA 1.897 56.416 55.300 -1.302 0.000 1.119 184 M CB -0.282 31.733 32.600 -0.975 0.000 1.377 184 M HN -0.607 7.086 8.290 -0.818 0.106 0.415 185 K N -1.253 118.509 120.400 -1.063 0.000 2.148 185 K HA -0.385 nan 4.320 nan 0.000 0.204 185 K C 2.279 178.557 176.600 -0.538 0.000 1.050 185 K CA 3.513 59.298 56.287 -0.836 0.000 0.942 185 K CB -0.524 31.432 32.500 -0.906 0.000 0.724 185 K HN -0.053 7.399 8.250 -1.191 0.084 0.446 186 R N -0.539 119.656 120.500 -0.509 0.000 2.062 186 R HA -0.176 nan 4.340 nan 0.000 0.231 186 R C 2.434 178.550 176.300 -0.308 0.000 1.136 186 R CA 3.012 58.922 56.100 -0.316 0.000 0.948 186 R CB -0.185 29.977 30.300 -0.230 0.000 0.845 186 R HN -0.546 7.244 8.270 -0.607 0.115 0.430 187 V N -4.931 114.709 119.914 -0.455 0.000 2.407 187 V HA -0.094 nan 4.120 nan 0.000 0.245 187 V C 1.756 177.705 176.094 -0.242 0.000 1.041 187 V CA 3.496 65.614 62.300 -0.304 0.000 1.040 187 V CB -0.446 31.080 31.823 -0.495 0.000 0.671 187 V HN -0.545 7.242 8.190 -0.672 0.000 0.455 188 F N -3.526 115.950 119.950 -0.790 0.000 2.653 188 F HA 0.422 nan 4.527 nan 0.000 0.304 188 F C -0.351 174.894 175.800 -0.925 0.000 1.092 188 F CA -1.561 55.748 58.000 -1.152 0.000 1.279 188 F CB 0.208 38.934 39.000 -0.457 0.000 1.044 188 F HN 0.083 8.134 8.300 -0.414 0.000 0.564 189 S N -0.393 115.017 115.700 -0.484 0.000 3.627 189 S HA 0.144 nan 4.470 nan 0.000 0.190 189 S C 1.220 175.732 174.600 -0.147 0.000 0.880 189 S CA 1.441 59.501 58.200 -0.234 0.000 0.894 189 S CB 1.408 64.481 63.200 -0.211 0.000 1.095 189 S HN -0.563 7.469 8.310 -0.463 0.000 0.655 190 D N 2.293 122.599 120.400 -0.157 0.000 2.117 190 D HA -0.181 nan 4.640 nan 0.000 0.197 190 D C 2.325 178.611 176.300 -0.023 0.000 0.987 190 D CA 3.511 57.464 54.000 -0.080 0.000 0.829 190 D CB -0.029 40.715 40.800 -0.094 0.000 0.961 190 D HN 0.118 8.354 8.370 -0.222 0.000 0.460 191 G N -1.530 107.246 108.800 -0.040 0.000 2.448 191 G HA2 -0.211 nan 3.960 nan 0.000 0.219 191 G HA3 -0.211 nan 3.960 nan 0.000 0.219 191 G C 0.467 175.511 174.900 0.239 0.000 1.127 191 G CA 1.508 46.657 45.100 0.081 0.000 0.766 191 G HN -0.089 8.121 8.290 -0.133 0.000 0.552 192 F N -2.218 117.724 119.950 -0.013 0.000 2.416 192 F HA -0.072 nan 4.527 nan 0.000 0.296 192 F C 0.471 176.218 175.800 -0.089 0.000 1.099 192 F CA -0.112 57.854 58.000 -0.057 0.000 1.427 192 F CB 0.833 39.774 39.000 -0.098 0.000 1.079 192 F HN -0.743 7.462 8.300 0.078 0.142 0.536 193 I N -9.435 111.201 120.570 0.111 0.000 4.526 193 I HA 0.165 nan 4.170 nan 0.000 0.330 193 I C -0.241 175.860 176.117 -0.028 0.000 1.323 193 I CA -0.442 60.855 61.300 -0.006 0.000 1.218 193 I CB 2.436 40.423 38.000 -0.021 0.000 1.233 193 I HN -0.822 7.312 8.210 0.110 0.143 0.430 194 S N 3.088 118.786 115.700 -0.002 0.000 2.528 194 S HA 0.206 nan 4.470 nan 0.000 0.303 194 S C -0.920 173.677 174.600 -0.006 0.000 1.123 194 S CA -0.090 58.102 58.200 -0.014 0.000 1.138 194 S CB 0.179 63.359 63.200 -0.033 0.000 0.984 194 S HN 0.190 8.512 8.310 0.021 0.000 0.474 195 G N 3.428 112.227 108.800 -0.002 0.000 2.352 195 G HA2 -0.177 nan 3.960 nan 0.000 0.283 195 G HA3 -0.177 nan 3.960 nan 0.000 0.283 195 G C -2.460 172.452 174.900 0.021 0.000 1.308 195 G CA -0.316 44.791 45.100 0.012 0.000 0.892 195 G HN -0.377 7.910 8.290 -0.005 0.000 0.504 196 D N 1.071 121.495 120.400 0.039 0.000 2.488 196 D HA -0.102 nan 4.640 nan 0.000 0.238 196 D C 1.260 177.582 176.300 0.036 0.000 1.138 196 D CA 0.419 54.456 54.000 0.062 0.000 0.873 196 D CB 1.103 41.970 40.800 0.112 0.000 1.183 196 D HN 0.053 8.448 8.370 0.042 0.000 0.458 197 A N 6.412 129.236 122.820 0.007 0.000 1.958 197 A HA -0.348 nan 4.320 nan 0.000 0.221 197 A C 2.011 179.549 177.584 -0.075 0.000 1.178 197 A CA 3.142 55.131 52.037 -0.079 0.000 0.642 197 A CB -0.149 18.789 19.000 -0.104 0.000 0.816 197 A HN 0.455 8.628 8.150 0.038 0.000 0.453 198 V N -1.677 118.213 119.914 -0.040 0.000 2.358 198 V HA -0.445 nan 4.120 nan 0.000 0.246 198 V C 1.732 177.801 176.094 -0.043 0.000 1.047 198 V CA 4.611 66.835 62.300 -0.128 0.000 1.035 198 V CB -0.771 30.790 31.823 -0.436 0.000 0.658 198 V HN -0.055 8.415 8.190 0.031 -0.262 0.452 199 E N 0.013 120.240 120.200 0.046 0.000 2.077 199 E HA -0.375 nan 4.350 nan 0.000 0.193 199 E C 1.943 178.596 176.600 0.089 0.000 0.989 199 E CA 3.373 59.832 56.400 0.098 0.000 0.800 199 E CB -0.156 29.619 29.700 0.125 0.000 0.746 199 E HN -0.422 7.892 8.360 0.075 0.092 0.452 200 C N -0.582 118.744 119.300 0.043 0.000 2.429 200 C HA -0.244 nan 4.460 nan 0.000 0.277 200 C C 2.365 177.351 174.990 -0.007 0.000 1.262 200 C CA 4.157 63.196 59.018 0.035 0.000 1.733 200 C CB -1.969 25.751 27.740 -0.034 0.000 2.010 200 C HN 0.061 8.304 8.230 0.021 0.000 0.483 201 S N -0.024 115.645 115.700 -0.050 0.000 2.382 201 S HA -0.268 nan 4.470 nan 0.000 0.228 201 S C 1.719 176.338 174.600 0.032 0.000 1.027 201 S CA 3.634 61.801 58.200 -0.056 0.000 0.991 201 S CB -0.433 62.734 63.200 -0.055 0.000 0.823 201 S HN -0.161 8.036 8.310 -0.062 0.076 0.469 202 L N 1.145 122.417 121.223 0.082 0.000 2.027 202 L HA -0.466 nan 4.340 nan 0.000 0.206 202 L C 1.905 178.905 176.870 0.217 0.000 1.074 202 L CA 3.252 58.195 54.840 0.172 0.000 0.745 202 L CB -0.587 41.583 42.059 0.185 0.000 0.898 202 L HN 0.094 8.276 8.230 0.056 0.082 0.433 203 N N -0.931 117.897 118.700 0.213 0.000 2.120 203 N HA -0.291 nan 4.740 nan 0.000 0.188 203 N C 2.767 178.467 175.510 0.316 0.000 1.024 203 N CA 3.298 56.535 53.050 0.312 0.000 0.852 203 N CB 0.007 38.710 38.487 0.361 0.000 1.003 203 N HN -0.197 8.290 8.380 0.178 0.000 0.424 204 L N -0.019 121.212 121.223 0.012 0.000 1.982 204 L HA -0.291 nan 4.340 nan 0.000 0.206 204 L C 1.600 178.339 176.870 -0.217 0.000 1.078 204 L CA 3.856 58.398 54.840 -0.497 0.000 0.749 204 L CB -0.033 41.536 42.059 -0.815 0.000 0.894 204 L HN 0.446 8.578 8.230 0.014 0.106 0.436 205 Q N -2.113 117.635 119.800 -0.088 0.000 2.063 205 Q HA -0.180 nan 4.340 nan 0.000 0.194 205 Q C 2.831 178.915 176.000 0.141 0.000 0.974 205 Q CA 3.242 59.058 55.803 0.022 0.000 0.827 205 Q CB 0.199 28.983 28.738 0.077 0.000 0.902 205 Q HN 0.019 8.141 8.270 -0.078 0.101 0.462 206 L N -1.579 119.803 121.223 0.264 0.000 2.083 206 L HA -0.239 nan 4.340 nan 0.000 0.209 206 L C 2.118 179.328 176.870 0.565 0.000 1.083 206 L CA 3.301 58.440 54.840 0.499 0.000 0.752 206 L CB -0.944 41.396 42.059 0.468 0.000 0.899 206 L HN -0.464 7.892 8.230 0.211 0.000 0.433 207 V N -3.327 116.795 119.914 0.347 0.000 2.870 207 V HA 0.077 nan 4.120 nan 0.000 0.232 207 V C 2.202 178.311 176.094 0.027 0.000 1.161 207 V CA 3.337 65.726 62.300 0.147 0.000 1.204 207 V CB 0.054 32.011 31.823 0.224 0.000 1.003 207 V HN 0.449 8.799 8.190 0.288 0.012 0.499 208 G N 0.349 109.294 108.800 0.242 0.000 2.586 208 G HA2 -0.393 nan 3.960 nan 0.000 0.218 208 G HA3 -0.393 nan 3.960 nan 0.000 0.218 208 G C 1.016 176.037 174.900 0.202 0.000 1.216 208 G CA 2.772 48.116 45.100 0.407 0.000 0.786 208 G HN 0.012 8.368 8.290 0.280 0.102 0.583 209 E N 2.047 122.273 120.200 0.043 0.000 2.051 209 E HA -0.251 nan 4.350 nan 0.000 0.189 209 E C 2.547 179.037 176.600 -0.182 0.000 0.979 209 E CA 2.705 59.079 56.400 -0.043 0.000 0.803 209 E CB 0.068 29.742 29.700 -0.044 0.000 0.761 209 E HN 0.128 8.402 8.360 0.026 0.102 0.451 210 A N -1.055 121.597 122.820 -0.280 0.000 1.930 210 A HA -0.184 nan 4.320 nan 0.000 0.217 210 A C 1.560 178.858 177.584 -0.477 0.000 1.175 210 A CA 2.826 54.526 52.037 -0.561 0.000 0.627 210 A CB -0.384 17.949 19.000 -1.112 0.000 0.815 210 A HN -0.023 8.020 8.150 -0.179 0.000 0.443 211 C N -3.615 115.338 119.300 -0.579 0.000 2.524 211 C HA 0.123 nan 4.460 nan 0.000 0.284 211 C C 0.664 175.147 174.990 -0.846 0.000 1.346 211 C CA 1.249 59.704 59.018 -0.938 0.000 1.739 211 C CB 0.279 26.919 27.740 -1.833 0.000 2.119 211 C HN -0.033 7.802 8.230 -0.476 0.110 0.501 212 F N -3.061 116.702 119.950 -0.311 0.000 2.482 212 F HA 0.116 nan 4.527 nan 0.000 0.278 212 F C 1.768 177.364 175.800 -0.339 0.000 0.969 212 F CA 1.896 59.713 58.000 -0.304 0.000 1.223 212 F CB 0.499 39.268 39.000 -0.385 0.000 1.140 212 F HN -0.677 7.463 8.300 -0.265 0.000 0.672 213 T N 2.745 117.299 114.554 -0.001 0.000 2.635 213 T HA -0.479 nan 4.350 nan 0.000 0.267 213 T C 1.923 176.558 174.700 -0.109 0.000 1.040 213 T CA 5.571 67.671 62.100 0.000 0.000 1.156 213 T CB -0.570 68.376 68.868 0.130 0.000 0.863 213 T HN 0.340 8.648 8.240 0.114 0.000 0.430 214 N N 0.185 118.780 118.700 -0.175 0.000 2.036 214 N HA -0.167 nan 4.740 nan 0.000 0.195 214 N C -0.251 175.100 175.510 -0.266 0.000 1.037 214 N CA 4.808 57.734 53.050 -0.207 0.000 0.855 214 N CB -0.894 37.451 38.487 -0.237 0.000 1.033 214 N HN -0.127 8.149 8.380 -0.174 0.000 0.423 215 P HA -0.075 nan 4.420 nan 0.000 0.218 215 P C 1.326 178.348 177.300 -0.465 0.000 1.152 215 P CA 2.005 64.688 63.100 -0.695 0.000 0.826 215 P CB -0.115 30.630 31.700 -1.593 0.000 0.790 216 L N -0.051 120.924 121.223 -0.412 0.000 2.012 216 L HA -0.349 nan 4.340 nan 0.000 0.210 216 L C 1.960 179.023 176.870 0.322 0.000 1.073 216 L CA 3.375 58.332 54.840 0.194 0.000 0.748 216 L CB -0.214 41.945 42.059 0.168 0.000 0.891 216 L HN 0.087 7.996 8.230 -0.536 0.000 0.431 217 I N -2.412 118.256 120.570 0.163 0.000 2.208 217 I HA -0.486 nan 4.170 nan 0.000 0.245 217 I C 2.377 178.688 176.117 0.323 0.000 1.097 217 I CA 3.379 64.821 61.300 0.236 0.000 1.363 217 I CB -1.662 36.336 38.000 -0.003 0.000 1.051 217 I HN 0.249 8.476 8.210 0.029 0.000 0.413 218 V N -4.121 115.914 119.914 0.201 0.000 2.379 218 V HA -0.276 nan 4.120 nan 0.000 0.245 218 V C 1.735 178.010 176.094 0.301 0.000 1.044 218 V CA 3.326 65.748 62.300 0.204 0.000 1.036 218 V CB -1.487 30.403 31.823 0.110 0.000 0.664 218 V HN -0.770 7.484 8.190 0.106 0.000 0.453 219 A N 0.166 123.236 122.820 0.417 0.000 1.902 219 A HA -0.321 nan 4.320 nan 0.000 0.217 219 A C 1.729 179.680 177.584 0.611 0.000 1.181 219 A CA 3.350 55.713 52.037 0.543 0.000 0.623 219 A CB -0.720 18.765 19.000 0.808 0.000 0.818 219 A HN -0.083 8.300 8.150 0.389 0.000 0.443 220 V N -2.702 117.623 119.914 0.685 0.000 2.392 220 V HA -0.484 nan 4.120 nan 0.000 0.249 220 V C 1.776 178.163 176.094 0.489 0.000 1.059 220 V CA 4.921 67.645 62.300 0.706 0.000 1.051 220 V CB -1.181 31.029 31.823 0.645 0.000 0.658 220 V HN 0.689 9.167 8.190 0.659 0.107 0.455 221 T N -3.481 111.288 114.554 0.357 0.000 2.867 221 T HA -0.295 nan 4.350 nan 0.000 0.268 221 T C 1.891 176.663 174.700 0.121 0.000 1.057 221 T CA 4.182 66.406 62.100 0.206 0.000 1.136 221 T CB -0.653 68.319 68.868 0.173 0.000 0.874 221 T HN -0.337 8.032 8.240 0.389 0.104 0.466 222 E N 2.962 123.249 120.200 0.145 0.000 2.015 222 E HA -0.322 nan 4.350 nan 0.000 0.191 222 E C 2.060 178.590 176.600 -0.117 0.000 0.991 222 E CA 2.937 59.335 56.400 -0.003 0.000 0.802 222 E CB -0.394 29.297 29.700 -0.016 0.000 0.759 222 E HN -0.851 7.528 8.360 0.243 0.126 0.447 223 W N -1.167 120.004 121.300 -0.215 0.000 2.363 223 W HA -0.310 nan 4.660 nan 0.000 0.296 223 W C 2.224 178.214 176.519 -0.882 0.000 1.212 223 W CA 3.691 60.760 57.345 -0.460 0.000 1.260 223 W CB -0.470 28.787 29.460 -0.338 0.000 1.131 223 W HN 0.013 8.446 8.180 0.421 0.000 0.530 224 A N -1.580 120.953 122.820 -0.479 0.000 1.865 224 A HA -0.407 nan 4.320 nan 0.000 0.217 224 A C 1.999 179.350 177.584 -0.388 0.000 1.191 224 A CA 2.978 54.660 52.037 -0.592 0.000 0.623 224 A CB -1.299 17.797 19.000 0.161 0.000 0.826 224 A HN 0.210 8.343 8.150 -0.028 0.000 0.444 225 A N -1.887 120.815 122.820 -0.197 0.000 1.908 225 A HA -0.313 nan 4.320 nan 0.000 0.218 225 A C 2.332 179.782 177.584 -0.222 0.000 1.181 225 A CA 2.758 54.703 52.037 -0.154 0.000 0.627 225 A CB -0.741 18.190 19.000 -0.115 0.000 0.818 225 A HN -0.228 7.845 8.150 -0.129 0.000 0.445 226 A N -1.470 121.174 122.820 -0.293 0.000 1.978 226 A HA -0.228 nan 4.320 nan 0.000 0.220 226 A C 1.306 178.746 177.584 -0.239 0.000 1.170 226 A CA 2.621 54.466 52.037 -0.320 0.000 0.636 226 A CB -0.226 18.561 19.000 -0.356 0.000 0.810 226 A HN 0.092 7.985 8.150 -0.307 0.073 0.448 227 N N -3.259 115.282 118.700 -0.266 0.000 2.276 227 N HA 0.146 nan 4.740 nan 0.000 0.212 227 N C -0.763 174.750 175.510 0.004 0.000 1.127 227 N CA -0.191 52.802 53.050 -0.095 0.000 0.834 227 N CB 0.204 38.515 38.487 -0.292 0.000 1.014 227 N HN -0.444 7.535 8.380 -0.450 0.131 0.491 228 G N -2.011 106.763 108.800 -0.043 0.000 2.176 228 G HA2 -0.527 nan 3.960 nan 0.000 0.253 228 G HA3 -0.527 nan 3.960 nan 0.000 0.253 228 G C -1.331 173.622 174.900 0.089 0.000 0.979 228 G CA 0.285 45.405 45.100 0.033 0.000 0.641 228 G HN -0.164 7.862 8.290 -0.125 0.190 0.530 229 D N 1.676 122.130 120.400 0.090 0.000 2.339 229 D HA 0.067 nan 4.640 nan 0.000 0.241 229 D C -0.302 176.081 176.300 0.139 0.000 1.183 229 D CA -0.574 53.570 54.000 0.240 0.000 0.859 229 D CB 0.425 41.506 40.800 0.468 0.000 1.067 229 D HN -0.273 8.010 8.370 -0.038 0.064 0.484 230 E N 3.662 123.927 120.200 0.109 0.000 2.489 230 E HA 0.170 nan 4.350 nan 0.000 0.204 230 E C 0.751 177.339 176.600 -0.020 0.000 1.006 230 E CA -0.083 56.335 56.400 0.030 0.000 0.936 230 E CB 0.636 30.340 29.700 0.007 0.000 1.002 230 E HN 0.260 8.701 8.360 0.135 0.000 0.488 231 I N 0.825 121.375 120.570 -0.033 0.000 2.193 231 I HA -0.264 nan 4.170 nan 0.000 0.240 231 I C 1.856 177.920 176.117 -0.089 0.000 1.084 231 I CA 2.760 63.928 61.300 -0.220 0.000 1.365 231 I CB -1.420 36.253 38.000 -0.545 0.000 1.064 231 I HN 0.108 8.466 8.210 0.076 -0.103 0.410 232 T N 1.962 116.544 114.554 0.046 0.000 2.746 232 T HA -0.027 nan 4.350 nan 0.000 0.267 232 T C -0.807 173.862 174.700 -0.052 0.000 1.039 232 T CA 6.518 68.576 62.100 -0.069 0.000 1.142 232 T CB -2.314 66.522 68.868 -0.054 0.000 0.866 232 T HN -0.035 8.821 8.240 0.194 -0.499 0.444 233 P HA -0.121 nan 4.420 nan 0.000 0.217 233 P C 1.627 178.953 177.300 0.044 0.000 1.150 233 P CA 3.391 66.524 63.100 0.055 0.000 0.832 233 P CB -0.395 31.325 31.700 0.033 0.000 0.787 234 T N 0.966 115.516 114.554 -0.007 0.000 2.684 234 T HA -0.296 nan 4.350 nan 0.000 0.267 234 T C 2.493 177.172 174.700 -0.035 0.000 1.036 234 T CA 4.723 66.796 62.100 -0.045 0.000 1.148 234 T CB -0.260 68.547 68.868 -0.102 0.000 0.863 234 T HN -0.619 7.606 8.240 -0.024 0.000 0.436 235 V N 1.830 121.754 119.914 0.017 0.000 2.283 235 V HA -0.264 nan 4.120 nan 0.000 0.243 235 V C 1.701 177.933 176.094 0.230 0.000 1.039 235 V CA 4.311 66.663 62.300 0.085 0.000 1.016 235 V CB -0.660 31.275 31.823 0.186 0.000 0.650 235 V HN -0.442 7.754 8.190 0.010 0.000 0.449 236 F N -1.383 118.566 119.950 -0.000 0.000 2.216 236 F HA -0.266 nan 4.527 nan 0.000 0.300 236 F C 2.165 177.946 175.800 -0.032 0.000 1.085 236 F CA 1.802 59.804 58.000 0.002 0.000 1.326 236 F CB -1.026 38.022 39.000 0.080 0.000 1.027 236 F HN 0.155 8.761 8.300 0.511 0.000 0.497 237 L N -2.903 118.413 121.223 0.155 0.000 2.217 237 L HA -0.370 nan 4.340 nan 0.000 0.211 237 L C 1.936 178.797 176.870 -0.016 0.000 1.107 237 L CA 2.521 57.393 54.840 0.053 0.000 0.783 237 L CB -0.632 41.449 42.059 0.036 0.000 0.919 237 L HN 0.015 8.330 8.230 0.172 0.017 0.442 238 S N -0.307 115.374 115.700 -0.033 0.000 2.371 238 S HA -0.219 nan 4.470 nan 0.000 0.224 238 S C 1.923 176.461 174.600 -0.103 0.000 1.029 238 S CA 3.162 61.316 58.200 -0.077 0.000 0.978 238 S CB -0.222 62.913 63.200 -0.109 0.000 0.833 238 S HN -0.565 7.615 8.310 -0.002 0.128 0.466 239 I N 2.010 122.482 120.570 -0.162 0.000 2.163 239 I HA -0.552 nan 4.170 nan 0.000 0.243 239 I C 1.568 177.506 176.117 -0.299 0.000 1.085 239 I CA 4.027 65.098 61.300 -0.381 0.000 1.347 239 I CB -0.019 37.613 38.000 -0.614 0.000 1.044 239 I HN -0.076 7.997 8.210 -0.114 0.069 0.408 240 E N -1.130 118.951 120.200 -0.198 0.000 2.267 240 E HA -0.289 nan 4.350 nan 0.000 0.197 240 E C 2.111 178.628 176.600 -0.138 0.000 0.998 240 E CA 2.988 59.296 56.400 -0.154 0.000 0.830 240 E CB -0.891 28.758 29.700 -0.086 0.000 0.751 240 E HN 0.029 8.299 8.360 -0.151 0.000 0.491 241 T N -5.224 109.259 114.554 -0.118 0.000 3.007 241 T HA -0.135 nan 4.350 nan 0.000 0.270 241 T C 1.493 176.100 174.700 -0.155 0.000 1.107 241 T CA 2.504 64.534 62.100 -0.116 0.000 1.118 241 T CB -0.555 68.255 68.868 -0.096 0.000 0.889 241 T HN -0.470 7.561 8.240 -0.109 0.143 0.506 242 D N 0.702 121.007 120.400 -0.159 0.000 2.327 242 D HA 0.106 nan 4.640 nan 0.000 0.205 242 D C 1.549 177.559 176.300 -0.482 0.000 0.989 242 D CA 2.161 56.023 54.000 -0.230 0.000 0.873 242 D CB -0.318 40.451 40.800 -0.051 0.000 0.955 242 D HN -0.021 8.123 8.370 -0.128 0.149 0.515 243 E N 0.287 120.243 120.200 -0.406 0.000 2.209 243 E HA -0.278 nan 4.350 nan 0.000 0.196 243 E C 1.607 178.052 176.600 -0.260 0.000 0.993 243 E CA 2.620 58.770 56.400 -0.417 0.000 0.819 243 E CB -0.444 29.118 29.700 -0.230 0.000 0.745 243 E HN -0.659 7.388 8.360 -0.275 0.148 0.477 244 L N -2.245 118.856 121.223 -0.203 0.000 2.042 244 L HA -0.281 nan 4.340 nan 0.000 0.210 244 L C 1.557 178.413 176.870 -0.024 0.000 1.076 244 L CA 3.153 57.943 54.840 -0.083 0.000 0.749 244 L CB -0.251 41.761 42.059 -0.078 0.000 0.893 244 L HN -0.404 7.666 8.230 -0.223 0.026 0.432 245 R N -3.260 117.109 120.500 -0.218 0.000 2.148 245 R HA -0.331 nan 4.340 nan 0.000 0.227 245 R C 2.409 178.855 176.300 0.243 0.000 1.103 245 R CA 3.312 59.353 56.100 -0.099 0.000 0.983 245 R CB -0.520 29.611 30.300 -0.281 0.000 0.874 245 R HN -0.435 7.615 8.270 -0.350 0.010 0.451 246 H N 0.338 119.409 119.070 0.003 0.000 2.436 246 H HA -0.142 nan 4.556 nan 0.000 0.294 246 H C 2.267 177.641 175.328 0.076 0.000 1.048 246 H CA 1.831 57.894 56.048 0.026 0.000 1.353 246 H CB 0.077 29.830 29.762 -0.015 0.000 1.414 246 H HN -0.723 7.436 8.280 0.043 0.146 0.536 247 M N -0.250 119.473 119.600 0.205 0.000 2.117 247 M HA -0.385 nan 4.480 nan 0.000 0.262 247 M C 1.533 178.043 176.300 0.350 0.000 1.065 247 M CA 2.281 57.714 55.300 0.221 0.000 1.114 247 M CB -0.579 32.109 32.600 0.147 0.000 1.361 247 M HN -0.156 8.138 8.290 0.149 0.085 0.408 248 A N -1.238 121.761 122.820 0.299 0.000 1.883 248 A HA -0.434 nan 4.320 nan 0.000 0.217 248 A C 1.809 179.523 177.584 0.218 0.000 1.186 248 A CA 3.482 55.676 52.037 0.261 0.000 0.624 248 A CB -1.125 18.072 19.000 0.328 0.000 0.822 248 A HN -0.006 8.317 8.150 0.290 0.000 0.444 249 N N -1.428 117.380 118.700 0.179 0.000 2.104 249 N HA -0.418 nan 4.740 nan 0.000 0.190 249 N C 2.481 178.096 175.510 0.175 0.000 1.024 249 N CA 3.077 56.175 53.050 0.079 0.000 0.853 249 N CB -0.037 38.518 38.487 0.114 0.000 1.008 249 N HN -0.270 8.167 8.380 0.213 0.071 0.424 250 G N -0.874 108.074 108.800 0.247 0.000 2.421 250 G HA2 -0.313 nan 3.960 nan 0.000 0.216 250 G HA3 -0.313 nan 3.960 nan 0.000 0.216 250 G C 0.666 175.715 174.900 0.247 0.000 1.171 250 G CA 1.795 47.055 45.100 0.267 0.000 0.775 250 G HN -0.210 8.157 8.290 0.255 0.076 0.543 251 Y N 2.927 123.328 120.300 0.168 0.000 2.128 251 Y HA -0.454 nan 4.550 nan 0.000 0.284 251 Y C 1.845 177.683 175.900 -0.104 0.000 1.154 251 Y CA 3.758 61.864 58.100 0.011 0.000 1.149 251 Y CB 0.242 38.714 38.460 0.019 0.000 0.976 251 Y HN -0.013 8.559 8.280 0.487 0.000 0.505 252 Q N -2.374 117.497 119.800 0.118 0.000 2.170 252 Q HA -0.438 nan 4.340 nan 0.000 0.203 252 Q C 2.696 178.636 176.000 -0.099 0.000 0.976 252 Q CA 3.584 59.367 55.803 -0.032 0.000 0.858 252 Q CB -0.237 28.466 28.738 -0.059 0.000 0.907 252 Q HN 0.482 8.775 8.270 0.218 0.108 0.433 253 T N 3.310 117.855 114.554 -0.016 0.000 2.684 253 T HA -0.310 nan 4.350 nan 0.000 0.267 253 T C 1.994 176.614 174.700 -0.133 0.000 1.036 253 T CA 4.920 67.026 62.100 0.011 0.000 1.148 253 T CB -0.500 68.412 68.868 0.073 0.000 0.863 253 T HN -0.182 7.979 8.240 0.051 0.110 0.436 254 V N 1.333 121.114 119.914 -0.222 0.000 2.343 254 V HA -0.319 nan 4.120 nan 0.000 0.247 254 V C 1.588 177.397 176.094 -0.475 0.000 1.051 254 V CA 4.475 66.578 62.300 -0.329 0.000 1.036 254 V CB -0.799 30.798 31.823 -0.377 0.000 0.654 254 V HN -0.507 7.570 8.190 -0.188 0.000 0.451 255 V N -1.028 118.481 119.914 -0.675 0.000 2.392 255 V HA -0.485 nan 4.120 nan 0.000 0.249 255 V C 1.562 177.469 176.094 -0.312 0.000 1.059 255 V CA 4.221 66.092 62.300 -0.715 0.000 1.051 255 V CB -0.973 30.490 31.823 -0.601 0.000 0.658 255 V HN 0.051 7.849 8.190 -0.654 0.000 0.455 256 S N -0.941 114.637 115.700 -0.203 0.000 2.402 256 S HA -0.237 nan 4.470 nan 0.000 0.229 256 S C 2.000 176.567 174.600 -0.055 0.000 1.021 256 S CA 3.178 61.321 58.200 -0.095 0.000 0.974 256 S CB 0.331 63.504 63.200 -0.045 0.000 0.800 256 S HN -0.085 7.993 8.310 -0.215 0.103 0.484 257 I N -4.888 115.639 120.570 -0.072 0.000 3.941 257 I HA 0.327 nan 4.170 nan 0.000 0.321 257 I C 1.030 177.166 176.117 0.032 0.000 1.284 257 I CA 0.411 61.713 61.300 0.003 0.000 1.226 257 I CB -0.334 37.651 38.000 -0.024 0.000 1.045 257 I HN -0.624 7.387 8.210 -0.131 0.121 0.420 258 A N 1.880 124.684 122.820 -0.025 0.000 2.024 258 A HA -0.312 nan 4.320 nan 0.000 0.220 258 A C 0.604 178.222 177.584 0.057 0.000 1.164 258 A CA 2.674 54.727 52.037 0.027 0.000 0.643 258 A CB -0.803 18.221 19.000 0.041 0.000 0.806 258 A HN -0.218 7.872 8.150 -0.101 0.000 0.451 259 N N -2.911 115.815 118.700 0.043 0.000 2.327 259 N HA 0.104 nan 4.740 nan 0.000 0.231 259 N C -1.237 174.297 175.510 0.040 0.000 1.130 259 N CA -0.323 52.751 53.050 0.041 0.000 0.845 259 N CB 0.224 38.730 38.487 0.032 0.000 1.073 259 N HN 0.084 8.453 8.380 0.025 0.026 0.496 260 D N 0.147 120.581 120.400 0.057 0.000 2.342 260 D HA 0.452 nan 4.640 nan 0.000 0.243 260 D C -1.177 175.156 176.300 0.055 0.000 1.019 260 D CA -3.440 50.596 54.000 0.060 0.000 0.864 260 D CB 2.333 43.186 40.800 0.088 0.000 1.315 260 D HN -0.676 7.649 8.370 0.071 0.088 0.468 261 P HA -0.143 nan 4.420 nan 0.000 0.219 261 P C 0.043 177.332 177.300 -0.018 0.000 1.146 261 P CA 1.729 64.829 63.100 0.000 0.000 0.808 261 P CB 0.172 31.866 31.700 -0.011 0.000 0.779 262 A N -1.959 120.875 122.820 0.024 0.000 1.969 262 A HA -0.187 nan 4.320 nan 0.000 0.218 262 A C 1.540 179.168 177.584 0.073 0.000 1.169 262 A CA 2.789 54.837 52.037 0.020 0.000 0.635 262 A CB -0.859 18.173 19.000 0.053 0.000 0.810 262 A HN 0.007 8.472 8.150 0.052 -0.284 0.445 263 S N -0.717 115.093 115.700 0.184 0.000 2.359 263 S HA -0.401 nan 4.470 nan 0.000 0.224 263 S C 2.037 176.709 174.600 0.120 0.000 1.035 263 S CA 3.510 61.863 58.200 0.256 0.000 1.018 263 S CB -0.415 62.893 63.200 0.180 0.000 0.876 263 S HN -0.486 7.896 8.310 0.159 0.024 0.448 264 A N -0.735 122.100 122.820 0.025 0.000 1.978 264 A HA -0.186 nan 4.320 nan 0.000 0.220 264 A C 0.955 178.485 177.584 -0.090 0.000 1.170 264 A CA 2.681 54.704 52.037 -0.023 0.000 0.636 264 A CB -0.514 18.462 19.000 -0.040 0.000 0.810 264 A HN 0.059 8.223 8.150 0.022 0.000 0.448 265 K N -3.214 117.044 120.400 -0.237 0.000 2.137 265 K HA -0.082 nan 4.320 nan 0.000 0.202 265 K C 1.278 177.629 176.600 -0.416 0.000 1.052 265 K CA 2.556 58.549 56.287 -0.489 0.000 0.961 265 K CB 0.347 32.221 32.500 -1.043 0.000 0.741 265 K HN -0.553 7.449 8.250 -0.231 0.109 0.452 266 Y N -5.761 114.571 120.300 0.054 0.000 2.526 266 Y HA 0.162 nan 4.550 nan 0.000 0.265 266 Y C 0.787 176.831 175.900 0.241 0.000 1.092 266 Y CA -0.003 58.158 58.100 0.102 0.000 1.277 266 Y CB 1.044 39.476 38.460 -0.045 0.000 1.228 266 Y HN -0.222 8.032 8.280 -0.044 0.000 0.507 267 L N 1.342 122.830 121.223 0.441 0.000 1.990 267 L HA -0.521 nan 4.340 nan 0.000 0.213 267 L C 1.126 178.126 176.870 0.215 0.000 1.072 267 L CA 3.920 58.953 54.840 0.322 0.000 0.755 267 L CB -0.280 41.902 42.059 0.205 0.000 0.889 267 L HN -0.096 8.369 8.230 0.393 0.000 0.432 268 N N -2.637 116.162 118.700 0.165 0.000 2.223 268 N HA -0.356 nan 4.740 nan 0.000 0.185 268 N C 2.000 177.612 175.510 0.170 0.000 1.016 268 N CA 3.647 56.778 53.050 0.136 0.000 0.863 268 N CB -0.332 38.208 38.487 0.089 0.000 0.983 268 N HN 0.446 8.915 8.380 0.149 0.000 0.429 269 T N -1.586 113.087 114.554 0.199 0.000 2.942 269 T HA -0.102 nan 4.350 nan 0.000 0.265 269 T C 1.887 176.726 174.700 0.232 0.000 1.062 269 T CA 3.192 65.419 62.100 0.213 0.000 1.139 269 T CB -0.562 68.432 68.868 0.209 0.000 0.883 269 T HN -0.571 7.794 8.240 0.209 0.000 0.468 270 D N 3.335 123.885 120.400 0.251 0.000 2.144 270 D HA -0.147 nan 4.640 nan 0.000 0.200 270 D C 1.872 178.317 176.300 0.241 0.000 0.978 270 D CA 3.507 57.652 54.000 0.242 0.000 0.833 270 D CB -0.509 40.446 40.800 0.258 0.000 0.961 270 D HN -0.251 8.284 8.370 0.276 0.000 0.470 271 L N -0.217 121.146 121.223 0.234 0.000 2.017 271 L HA -0.405 nan 4.340 nan 0.000 0.208 271 L C 1.490 178.556 176.870 0.327 0.000 1.073 271 L CA 3.319 58.319 54.840 0.268 0.000 0.745 271 L CB -0.104 42.086 42.059 0.218 0.000 0.894 271 L HN 0.364 8.724 8.230 0.217 0.000 0.432 272 N N -1.042 117.820 118.700 0.269 0.000 2.120 272 N HA -0.389 nan 4.740 nan 0.000 0.188 272 N C 1.943 177.652 175.510 0.332 0.000 1.024 272 N CA 3.526 56.741 53.050 0.275 0.000 0.852 272 N CB -0.164 38.417 38.487 0.157 0.000 1.003 272 N HN 0.163 8.568 8.380 0.225 0.110 0.424 273 N N 0.582 119.461 118.700 0.299 0.000 2.120 273 N HA -0.348 nan 4.740 nan 0.000 0.188 273 N C 1.999 177.710 175.510 0.335 0.000 1.024 273 N CA 3.121 56.361 53.050 0.317 0.000 0.852 273 N CB 0.098 38.750 38.487 0.275 0.000 1.003 273 N HN 0.027 8.570 8.380 0.271 0.000 0.424 274 A N 0.533 123.546 122.820 0.322 0.000 1.898 274 A HA -0.229 nan 4.320 nan 0.000 0.216 274 A C 1.482 179.259 177.584 0.322 0.000 1.181 274 A CA 2.996 55.218 52.037 0.309 0.000 0.620 274 A CB -0.715 18.467 19.000 0.304 0.000 0.819 274 A HN 0.145 8.482 8.150 0.311 0.000 0.442 275 F N 0.113 120.218 119.950 0.258 0.000 2.069 275 F HA -0.395 nan 4.527 nan 0.000 0.298 275 F C 0.687 176.614 175.800 0.211 0.000 1.113 275 F CA 3.386 61.511 58.000 0.209 0.000 1.214 275 F CB 0.220 39.381 39.000 0.269 0.000 0.978 275 F HN 0.050 8.667 8.300 0.528 0.000 0.474 276 W N -1.359 119.893 121.300 -0.080 0.000 2.335 276 W HA -0.513 nan 4.660 nan 0.000 0.311 276 W C 1.722 178.178 176.519 -0.104 0.000 1.213 276 W CA 3.845 61.074 57.345 -0.194 0.000 1.274 276 W CB 0.283 29.707 29.460 -0.061 0.000 1.148 276 W HN 0.367 8.853 8.180 0.511 0.000 0.498 277 T N 1.794 116.405 114.554 0.095 0.000 2.635 277 T HA -0.535 nan 4.350 nan 0.000 0.267 277 T C 2.522 177.171 174.700 -0.086 0.000 1.040 277 T CA 5.313 67.441 62.100 0.045 0.000 1.156 277 T CB -0.593 68.372 68.868 0.161 0.000 0.863 277 T HN -0.251 8.146 8.240 0.262 0.000 0.430 278 Q N 0.087 119.887 119.800 -0.000 0.000 2.020 278 Q HA -0.299 nan 4.340 nan 0.000 0.202 278 Q C 2.311 178.258 176.000 -0.088 0.000 0.982 278 Q CA 2.865 58.724 55.803 0.093 0.000 0.838 278 Q CB -0.535 28.460 28.738 0.429 0.000 0.899 278 Q HN -0.030 8.281 8.270 0.068 0.000 0.423 279 Q N -0.287 119.420 119.800 -0.155 0.000 2.170 279 Q HA -0.273 nan 4.340 nan 0.000 0.203 279 Q C 2.721 178.529 176.000 -0.321 0.000 0.976 279 Q CA 2.601 58.313 55.803 -0.152 0.000 0.858 279 Q CB -0.929 27.652 28.738 -0.261 0.000 0.907 279 Q HN 0.030 8.119 8.270 -0.303 0.000 0.433 280 K N 0.096 120.167 120.400 -0.549 0.000 2.113 280 K HA -0.307 nan 4.320 nan 0.000 0.208 280 K C 1.136 177.582 176.600 -0.256 0.000 1.047 280 K CA 2.426 58.423 56.287 -0.484 0.000 0.928 280 K CB -0.412 31.799 32.500 -0.481 0.000 0.716 280 K HN -0.082 7.762 8.250 -0.651 0.015 0.446 281 Y N -2.492 117.540 120.300 -0.446 0.000 2.266 281 Y HA -0.111 nan 4.550 nan 0.000 0.294 281 Y C 1.251 176.837 175.900 -0.524 0.000 1.127 281 Y CA 2.877 60.666 58.100 -0.518 0.000 1.140 281 Y CB 1.419 39.416 38.460 -0.772 0.000 1.071 281 Y HN -0.830 7.260 8.280 -0.294 0.014 0.525 282 F N -2.347 117.389 119.950 -0.357 0.000 2.216 282 F HA -0.333 nan 4.527 nan 0.000 0.300 282 F C 2.507 178.191 175.800 -0.193 0.000 1.085 282 F CA 3.684 61.387 58.000 -0.495 0.000 1.326 282 F CB -0.975 37.379 39.000 -1.078 0.000 1.027 282 F HN -0.039 7.852 8.300 -0.680 0.000 0.497 283 T N 0.991 115.636 114.554 0.151 0.000 2.652 283 T HA -0.143 nan 4.350 nan 0.000 0.267 283 T C -0.567 174.279 174.700 0.244 0.000 1.039 283 T CA 6.508 68.875 62.100 0.445 0.000 1.153 283 T CB -2.335 66.705 68.868 0.287 0.000 0.863 283 T HN 0.194 8.326 8.240 -0.005 0.105 0.428 284 P HA 0.064 nan 4.420 nan 0.000 0.220 284 P C 1.319 178.493 177.300 -0.209 0.000 1.154 284 P CA 2.450 65.527 63.100 -0.038 0.000 0.830 284 P CB -0.267 31.407 31.700 -0.042 0.000 0.803 285 V N 0.230 119.911 119.914 -0.388 0.000 2.295 285 V HA -0.314 nan 4.120 nan 0.000 0.246 285 V C 2.471 178.282 176.094 -0.472 0.000 1.049 285 V CA 5.004 67.016 62.300 -0.481 0.000 1.024 285 V CB -0.748 30.562 31.823 -0.855 0.000 0.648 285 V HN -0.201 7.718 8.190 -0.452 0.000 0.447 286 L N -1.781 119.131 121.223 -0.518 0.000 2.156 286 L HA -0.134 nan 4.340 nan 0.000 0.208 286 L C 2.331 178.418 176.870 -1.304 0.000 1.095 286 L CA 2.528 56.871 54.840 -0.828 0.000 0.770 286 L CB -1.441 40.243 42.059 -0.624 0.000 0.914 286 L HN 0.164 8.069 8.230 -0.363 0.108 0.439 287 G N -1.708 106.131 108.800 -1.602 0.000 2.408 287 G HA2 -0.392 nan 3.960 nan 0.000 0.217 287 G HA3 -0.392 nan 3.960 nan 0.000 0.217 287 G C 0.780 175.364 174.900 -0.527 0.000 1.150 287 G CA 1.966 46.017 45.100 -1.748 0.000 0.776 287 G HN -0.593 6.947 8.290 -1.250 0.000 0.542 288 M N 2.217 121.630 119.600 -0.312 0.000 2.099 288 M HA -0.276 nan 4.480 nan 0.000 0.262 288 M C 1.715 177.954 176.300 -0.102 0.000 1.067 288 M CA 3.618 58.905 55.300 -0.021 0.000 1.124 288 M CB 0.145 32.713 32.600 -0.054 0.000 1.353 288 M HN -0.423 7.518 8.290 -0.419 0.099 0.410 289 L N -0.912 120.105 121.223 -0.344 0.000 2.046 289 L HA -0.344 nan 4.340 nan 0.000 0.208 289 L C 2.609 179.265 176.870 -0.356 0.000 1.077 289 L CA 3.141 57.741 54.840 -0.400 0.000 0.747 289 L CB -1.308 40.409 42.059 -0.571 0.000 0.896 289 L HN 0.049 8.011 8.230 -0.446 0.000 0.432 290 F N -1.368 118.266 119.950 -0.525 0.000 2.060 290 F HA -0.381 nan 4.527 nan 0.000 0.295 290 F C 2.268 177.674 175.800 -0.656 0.000 1.120 290 F CA 2.831 60.278 58.000 -0.922 0.000 1.205 290 F CB -0.871 37.299 39.000 -1.383 0.000 0.986 290 F HN 0.054 7.931 8.300 -0.706 0.000 0.470 291 E N -1.476 118.652 120.200 -0.120 0.000 2.106 291 E HA -0.336 nan 4.350 nan 0.000 0.192 291 E C 2.775 179.274 176.600 -0.168 0.000 0.984 291 E CA 3.141 59.521 56.400 -0.034 0.000 0.806 291 E CB 0.191 30.058 29.700 0.277 0.000 0.750 291 E HN -0.212 8.102 8.360 -0.077 0.000 0.458 292 Y N -4.209 116.036 120.300 -0.093 0.000 2.462 292 Y HA 0.034 nan 4.550 nan 0.000 0.261 292 Y C 0.820 176.604 175.900 -0.193 0.000 1.146 292 Y CA 0.399 58.333 58.100 -0.277 0.000 1.283 292 Y CB 0.645 38.544 38.460 -0.934 0.000 1.090 292 Y HN -0.040 8.326 8.280 0.143 0.000 0.526 293 G N -3.059 105.751 108.800 0.016 0.000 3.434 293 G HA2 0.065 nan 3.960 nan 0.000 0.258 293 G HA3 0.065 nan 3.960 nan 0.000 0.258 293 G C -1.719 173.298 174.900 0.195 0.000 1.128 293 G CA -0.653 44.472 45.100 0.041 0.000 0.792 293 G HN -0.470 7.816 8.290 -0.006 0.000 0.539 294 S N -2.406 113.380 115.700 0.145 0.000 2.632 294 S HA 0.268 nan 4.470 nan 0.000 0.289 294 S C -0.673 173.836 174.600 -0.153 0.000 1.115 294 S CA -1.316 56.987 58.200 0.171 0.000 0.889 294 S CB 3.284 66.680 63.200 0.328 0.000 1.116 294 S HN -0.908 7.356 8.310 0.033 0.065 0.486 295 K N 2.033 122.201 120.400 -0.387 0.000 2.157 295 K HA -0.034 nan 4.320 nan 0.000 0.207 295 K C -0.873 175.292 176.600 -0.725 0.000 1.030 295 K CA 0.649 56.468 56.287 -0.780 0.000 0.965 295 K CB 0.082 31.696 32.500 -1.477 0.000 0.877 295 K HN 0.330 8.418 8.250 -0.270 0.000 0.460 296 F N -0.670 119.070 119.950 -0.350 0.000 2.427 296 F HA 0.011 nan 4.527 nan 0.000 0.352 296 F C -0.271 175.277 175.800 -0.420 0.000 1.100 296 F CA 0.023 57.802 58.000 -0.368 0.000 1.191 296 F CB 0.489 39.295 39.000 -0.323 0.000 1.128 296 F HN -0.437 7.626 8.300 -0.394 0.000 0.533 297 K N 2.555 122.700 120.400 -0.425 0.000 2.118 297 K HA 0.133 nan 4.320 nan 0.000 0.254 297 K C -1.295 174.755 176.600 -0.916 0.000 0.961 297 K CA -1.027 54.828 56.287 -0.719 0.000 0.876 297 K CB 0.983 32.932 32.500 -0.918 0.000 1.077 297 K HN -0.006 8.002 8.250 -0.404 0.000 0.440 298 V N 0.982 119.897 119.914 -1.666 0.000 2.788 298 V HA 0.114 nan 4.120 nan 0.000 0.241 298 V C -0.170 175.594 176.094 -0.548 0.000 1.083 298 V CA 1.240 62.843 62.300 -1.163 0.000 1.103 298 V CB 0.924 31.749 31.823 -1.663 0.000 0.800 298 V HN 0.215 6.557 8.190 -3.081 0.000 0.476 299 E N -2.361 117.654 120.200 -0.308 0.000 2.400 299 E HA 0.286 nan 4.350 nan 0.000 0.285 299 E C -2.778 174.084 176.600 0.435 0.000 1.005 299 E CA -2.699 53.760 56.400 0.099 0.000 0.816 299 E CB 2.420 32.144 29.700 0.041 0.000 1.220 299 E HN -0.450 7.636 8.360 -0.457 0.000 0.426 300 P HA 0.038 nan 4.420 nan 0.000 0.271 300 P C -0.644 176.901 177.300 0.408 0.000 1.216 300 P CA -0.538 62.856 63.100 0.491 0.000 0.771 300 P CB 0.391 32.101 31.700 0.017 0.000 0.864 301 W N 5.361 126.836 121.300 0.293 0.000 2.350 301 W HA -0.372 nan 4.660 nan 0.000 0.289 301 W C 0.936 177.468 176.519 0.021 0.000 1.215 301 W CA 3.077 60.459 57.345 0.062 0.000 1.236 301 W CB 0.654 30.005 29.460 -0.181 0.000 1.130 301 W HN 0.852 9.921 8.180 0.823 -0.395 0.541 302 V N -4.962 114.972 119.914 0.033 0.000 2.332 302 V HA -0.536 nan 4.120 nan 0.000 0.248 302 V C 1.639 177.649 176.094 -0.140 0.000 1.055 302 V CA 3.622 65.836 62.300 -0.142 0.000 1.038 302 V CB -1.257 30.458 31.823 -0.180 0.000 0.651 302 V HN -0.321 8.009 8.190 0.284 0.030 0.450 303 K N -0.189 120.147 120.400 -0.106 0.000 2.025 303 K HA -0.316 nan 4.320 nan 0.000 0.207 303 K C 1.888 178.402 176.600 -0.143 0.000 1.049 303 K CA 3.409 59.646 56.287 -0.084 0.000 0.933 303 K CB -0.106 32.362 32.500 -0.053 0.000 0.714 303 K HN -0.478 7.724 8.250 -0.072 0.004 0.438 304 T N 2.022 116.431 114.554 -0.242 0.000 2.652 304 T HA -0.297 nan 4.350 nan 0.000 0.267 304 T C 1.423 175.653 174.700 -0.783 0.000 1.039 304 T CA 4.872 66.658 62.100 -0.523 0.000 1.153 304 T CB -0.722 67.829 68.868 -0.528 0.000 0.863 304 T HN -0.468 7.687 8.240 -0.142 0.000 0.428 305 W N 1.244 121.860 121.300 -1.141 0.000 2.338 305 W HA -0.491 nan 4.660 nan 0.000 0.304 305 W C 1.298 177.647 176.519 -0.284 0.000 1.212 305 W CA 3.984 60.789 57.345 -0.900 0.000 1.264 305 W CB 0.173 29.006 29.460 -1.045 0.000 1.142 305 W HN 0.478 7.983 8.180 -0.944 0.108 0.512 306 D N -1.721 118.774 120.400 0.158 0.000 2.117 306 D HA -0.437 nan 4.640 nan 0.000 0.197 306 D C 1.933 178.300 176.300 0.112 0.000 0.987 306 D CA 3.940 58.072 54.000 0.219 0.000 0.829 306 D CB -0.069 40.825 40.800 0.157 0.000 0.961 306 D HN -0.544 7.864 8.370 0.064 0.000 0.460 307 R N -0.358 120.173 120.500 0.052 0.000 2.062 307 R HA -0.309 nan 4.340 nan 0.000 0.231 307 R C 2.287 178.716 176.300 0.214 0.000 1.136 307 R CA 3.472 59.648 56.100 0.127 0.000 0.948 307 R CB -0.004 30.373 30.300 0.127 0.000 0.845 307 R HN -0.630 7.627 8.270 -0.023 0.000 0.430 308 W N -2.598 118.646 121.300 -0.093 0.000 2.332 308 W HA -0.253 nan 4.660 nan 0.000 0.321 308 W C 2.787 179.174 176.519 -0.220 0.000 1.219 308 W CA 3.040 60.298 57.345 -0.145 0.000 1.277 308 W CB -0.548 28.798 29.460 -0.189 0.000 1.161 308 W HN 0.228 8.488 8.180 0.133 0.000 0.476 309 V N -2.456 117.349 119.914 -0.180 0.000 2.374 309 V HA -0.298 nan 4.120 nan 0.000 0.241 309 V C 1.686 177.761 176.094 -0.031 0.000 1.034 309 V CA 4.504 66.610 62.300 -0.323 0.000 1.037 309 V CB -0.611 30.600 31.823 -1.020 0.000 0.682 309 V HN 0.352 8.354 8.190 -0.313 0.000 0.463 310 Y N -0.177 120.031 120.300 -0.154 0.000 2.243 310 Y HA -0.354 nan 4.550 nan 0.000 0.293 310 Y C 1.535 177.475 175.900 0.066 0.000 1.124 310 Y CA 3.671 61.791 58.100 0.033 0.000 1.159 310 Y CB 0.467 39.001 38.460 0.122 0.000 1.008 310 Y HN -0.559 7.695 8.280 -0.044 0.000 0.527 311 E N -1.142 119.180 120.200 0.202 0.000 2.035 311 E HA -0.184 nan 4.350 nan 0.000 0.191 311 E C 1.878 178.538 176.600 0.099 0.000 0.966 311 E CA 2.438 58.922 56.400 0.139 0.000 0.823 311 E CB 0.613 30.406 29.700 0.154 0.000 0.791 311 E HN -0.371 8.119 8.360 0.217 0.000 0.459 312 D N -0.023 120.456 120.400 0.132 0.000 2.087 312 D HA -0.242 nan 4.640 nan 0.000 0.192 312 D C 2.000 178.404 176.300 0.174 0.000 0.993 312 D CA 3.374 57.455 54.000 0.134 0.000 0.828 312 D CB -0.201 40.676 40.800 0.129 0.000 0.968 312 D HN 0.208 8.563 8.370 0.151 0.106 0.448 313 W N 0.174 121.465 121.300 -0.014 0.000 2.539 313 W HA -0.102 nan 4.660 nan 0.000 0.315 313 W C 1.895 178.436 176.519 0.036 0.000 1.148 313 W CA 3.815 61.173 57.345 0.023 0.000 1.403 313 W CB 0.529 29.915 29.460 -0.123 0.000 1.168 313 W HN 0.023 8.365 8.180 0.269 0.000 0.489 314 G N -2.623 106.289 108.800 0.186 0.000 2.485 314 G HA2 -0.426 nan 3.960 nan 0.000 0.221 314 G HA3 -0.426 nan 3.960 nan 0.000 0.221 314 G C 0.359 175.086 174.900 -0.288 0.000 1.115 314 G CA 1.751 46.762 45.100 -0.149 0.000 0.751 314 G HN 0.364 8.793 8.290 0.411 0.108 0.567 315 G N 0.439 109.138 108.800 -0.168 0.000 2.680 315 G HA2 0.108 nan 3.960 nan 0.000 0.224 315 G HA3 0.108 nan 3.960 nan 0.000 0.224 315 G C 0.649 175.473 174.900 -0.127 0.000 1.454 315 G CA -0.133 44.881 45.100 -0.145 0.000 0.900 315 G HN -0.757 7.463 8.290 -0.071 0.027 0.570 316 I N 1.937 122.478 120.570 -0.048 0.000 2.099 316 I HA -0.535 nan 4.170 nan 0.000 0.239 316 I C 1.535 177.633 176.117 -0.031 0.000 1.066 316 I CA 3.860 65.146 61.300 -0.023 0.000 1.324 316 I CB 0.006 38.028 38.000 0.036 0.000 1.037 316 I HN -0.543 7.660 8.210 -0.011 0.000 0.401 317 W N -0.256 120.941 121.300 -0.172 0.000 2.332 317 W HA -0.425 nan 4.660 nan 0.000 0.321 317 W C 2.691 179.038 176.519 -0.286 0.000 1.219 317 W CA 3.301 60.530 57.345 -0.193 0.000 1.277 317 W CB 0.257 29.603 29.460 -0.189 0.000 1.161 317 W HN -0.037 8.239 8.180 0.160 0.000 0.476 318 I N -1.644 118.581 120.570 -0.576 0.000 2.264 318 I HA -0.437 nan 4.170 nan 0.000 0.248 318 I C 2.698 178.539 176.117 -0.461 0.000 1.111 318 I CA 2.320 63.210 61.300 -0.684 0.000 1.382 318 I CB -1.513 36.023 38.000 -0.774 0.000 1.060 318 I HN 0.031 7.972 8.210 -0.448 0.000 0.418 319 G N -1.672 106.928 108.800 -0.334 0.000 2.450 319 G HA2 -0.325 nan 3.960 nan 0.000 0.220 319 G HA3 -0.325 nan 3.960 nan 0.000 0.220 319 G C 1.452 176.215 174.900 -0.228 0.000 1.130 319 G CA 1.860 46.818 45.100 -0.237 0.000 0.760 319 G HN 0.253 8.352 8.290 -0.308 0.006 0.557 320 R N 0.603 120.945 120.500 -0.264 0.000 2.280 320 R HA -0.176 nan 4.340 nan 0.000 0.207 320 R C 0.977 177.173 176.300 -0.173 0.000 1.043 320 R CA 1.643 57.627 56.100 -0.193 0.000 1.006 320 R CB -0.154 30.042 30.300 -0.172 0.000 0.885 320 R HN -0.565 7.382 8.270 -0.323 0.129 0.467 321 L N -3.075 117.984 121.223 -0.275 0.000 2.640 321 L HA 0.149 nan 4.340 nan 0.000 0.230 321 L C 1.065 177.832 176.870 -0.172 0.000 1.123 321 L CA -0.458 54.272 54.840 -0.183 0.000 0.900 321 L CB -0.328 41.560 42.059 -0.284 0.000 1.146 321 L HN 0.202 8.025 8.230 -0.364 0.188 0.484 322 G N -0.212 108.459 108.800 -0.215 0.000 2.442 322 G HA2 -0.308 nan 3.960 nan 0.000 0.219 322 G HA3 -0.308 nan 3.960 nan 0.000 0.219 322 G C 0.717 175.478 174.900 -0.232 0.000 1.141 322 G CA 2.407 47.392 45.100 -0.192 0.000 0.763 322 G HN -0.325 7.653 8.290 -0.225 0.177 0.554 323 K N -0.348 119.830 120.400 -0.370 0.000 2.442 323 K HA -0.216 nan 4.320 nan 0.000 0.198 323 K C 0.241 176.474 176.600 -0.612 0.000 1.044 323 K CA 2.098 58.083 56.287 -0.503 0.000 0.948 323 K CB -0.896 31.231 32.500 -0.622 0.000 0.762 323 K HN 0.080 8.095 8.250 -0.369 0.013 0.472 324 Y N -2.353 117.861 120.300 -0.143 0.000 2.555 324 Y HA 0.062 nan 4.550 nan 0.000 0.259 324 Y C -0.555 175.282 175.900 -0.105 0.000 1.179 324 Y CA -1.523 56.494 58.100 -0.139 0.000 1.230 324 Y CB -0.696 37.640 38.460 -0.207 0.000 1.146 324 Y HN -0.584 7.295 8.280 -0.363 0.183 0.526 325 G N -1.991 106.791 108.800 -0.030 0.000 2.157 325 G HA2 -0.412 nan 3.960 nan 0.000 0.248 325 G HA3 -0.412 nan 3.960 nan 0.000 0.248 325 G C -0.456 174.430 174.900 -0.022 0.000 0.979 325 G CA 0.107 45.194 45.100 -0.022 0.000 0.650 325 G HN -0.404 7.644 8.290 -0.104 0.180 0.529 326 V N 2.172 122.062 119.914 -0.040 0.000 2.614 326 V HA -0.047 nan 4.120 nan 0.000 0.291 326 V C -0.885 175.153 176.094 -0.093 0.000 1.049 326 V CA 0.988 63.254 62.300 -0.058 0.000 1.038 326 V CB 0.414 32.181 31.823 -0.093 0.000 0.980 326 V HN -0.652 7.466 8.190 -0.043 0.046 0.481 327 E N 4.441 124.594 120.200 -0.078 0.000 2.392 327 E HA 0.247 nan 4.350 nan 0.000 0.269 327 E C -1.675 174.850 176.600 -0.125 0.000 0.924 327 E CA -2.767 53.574 56.400 -0.098 0.000 0.784 327 E CB 2.026 31.692 29.700 -0.058 0.000 1.292 327 E HN -0.220 8.112 8.360 -0.047 0.000 0.447 328 S N 1.243 116.850 115.700 -0.155 0.000 2.563 328 S HA 0.116 nan 4.470 nan 0.000 0.294 328 S C -1.006 173.514 174.600 -0.133 0.000 1.279 328 S CA -1.122 56.959 58.200 -0.198 0.000 1.069 328 S CB 0.347 63.435 63.200 -0.187 0.000 0.828 328 S HN 0.096 8.321 8.310 -0.142 0.000 0.497 329 P HA -0.036 nan 4.420 nan 0.000 0.262 329 P C -0.301 176.958 177.300 -0.068 0.000 1.182 329 P CA 0.239 63.279 63.100 -0.100 0.000 0.761 329 P CB 0.286 31.828 31.700 -0.265 0.000 0.795 330 R N 3.634 124.125 120.500 -0.014 0.000 2.241 330 R HA -0.273 nan 4.340 nan 0.000 0.224 330 R C 0.758 177.064 176.300 0.009 0.000 1.101 330 R CA 2.853 58.978 56.100 0.042 0.000 0.995 330 R CB -0.690 29.692 30.300 0.137 0.000 0.870 330 R HN 0.693 8.993 8.270 0.010 -0.024 0.463 331 S N -1.821 113.755 115.700 -0.208 0.000 2.575 331 S HA 0.071 nan 4.470 nan 0.000 0.215 331 S C 1.014 175.802 174.600 0.313 0.000 0.966 331 S CA 0.278 58.311 58.200 -0.278 0.000 0.911 331 S CB 0.943 63.473 63.200 -1.116 0.000 0.780 331 S HN -0.288 8.143 8.310 -0.201 -0.242 0.514 332 L N 2.424 123.792 121.223 0.242 0.000 2.012 332 L HA -0.401 nan 4.340 nan 0.000 0.210 332 L C 1.272 178.461 176.870 0.532 0.000 1.073 332 L CA 3.869 58.918 54.840 0.348 0.000 0.748 332 L CB -0.227 41.849 42.059 0.029 0.000 0.891 332 L HN -0.151 7.946 8.230 0.067 0.174 0.431 333 K N -1.853 118.799 120.400 0.420 0.000 2.032 333 K HA -0.427 nan 4.320 nan 0.000 0.209 333 K C 2.150 179.008 176.600 0.430 0.000 1.048 333 K CA 3.563 60.102 56.287 0.420 0.000 0.927 333 K CB -0.586 32.103 32.500 0.316 0.000 0.712 333 K HN 0.091 8.531 8.250 0.317 0.000 0.441 334 D N -1.271 119.413 120.400 0.473 0.000 2.123 334 D HA -0.250 nan 4.640 nan 0.000 0.196 334 D C 1.999 178.668 176.300 0.614 0.000 0.992 334 D CA 3.104 57.424 54.000 0.533 0.000 0.833 334 D CB -0.685 40.498 40.800 0.639 0.000 0.954 334 D HN -0.120 8.521 8.370 0.453 0.000 0.455 335 A N -0.445 122.819 122.820 0.739 0.000 1.877 335 A HA -0.280 nan 4.320 nan 0.000 0.216 335 A C 1.839 179.670 177.584 0.411 0.000 1.186 335 A CA 3.154 55.565 52.037 0.625 0.000 0.620 335 A CB -0.515 18.975 19.000 0.817 0.000 0.822 335 A HN -0.017 8.499 8.150 0.770 0.096 0.443 336 K N -1.991 118.716 120.400 0.512 0.000 2.097 336 K HA -0.386 nan 4.320 nan 0.000 0.206 336 K C 1.982 178.607 176.600 0.041 0.000 1.049 336 K CA 2.983 59.399 56.287 0.215 0.000 0.933 336 K CB -0.031 32.679 32.500 0.350 0.000 0.717 336 K HN -0.272 8.366 8.250 0.646 0.000 0.442 337 Q N -1.582 118.319 119.800 0.169 0.000 2.084 337 Q HA -0.282 nan 4.340 nan 0.000 0.202 337 Q C 2.093 178.185 176.000 0.154 0.000 0.978 337 Q CA 2.765 58.659 55.803 0.152 0.000 0.844 337 Q CB -0.241 28.618 28.738 0.202 0.000 0.898 337 Q HN -0.434 7.994 8.270 0.264 0.000 0.426 338 D N -1.884 118.626 120.400 0.184 0.000 2.312 338 D HA -0.067 nan 4.640 nan 0.000 0.211 338 D C 1.216 177.572 176.300 0.094 0.000 0.964 338 D CA 2.020 56.133 54.000 0.189 0.000 0.877 338 D CB 0.055 41.010 40.800 0.258 0.000 0.924 338 D HN -0.378 8.132 8.370 0.234 0.000 0.515 339 A N -0.318 122.442 122.820 -0.101 0.000 1.835 339 A HA -0.257 nan 4.320 nan 0.000 0.215 339 A C 1.820 179.357 177.584 -0.079 0.000 1.199 339 A CA 2.722 54.564 52.037 -0.326 0.000 0.615 339 A CB -0.814 17.507 19.000 -1.131 0.000 0.838 339 A HN -0.621 7.290 8.150 -0.126 0.163 0.444 340 Y N -1.052 119.150 120.300 -0.163 0.000 2.064 340 Y HA -0.534 nan 4.550 nan 0.000 0.262 340 Y C 0.785 176.690 175.900 0.009 0.000 1.243 340 Y CA 4.006 62.036 58.100 -0.116 0.000 1.096 340 Y CB -0.036 38.266 38.460 -0.262 0.000 0.915 340 Y HN -0.512 7.779 8.280 0.018 0.000 0.505 341 W N -6.754 114.794 121.300 0.413 0.000 3.211 341 W HA -0.028 nan 4.660 nan 0.000 0.292 341 W C 0.775 177.394 176.519 0.166 0.000 1.268 341 W CA -0.913 56.625 57.345 0.322 0.000 1.702 341 W CB -0.188 29.506 29.460 0.389 0.000 1.092 341 W HN -0.423 8.064 8.180 0.512 0.000 0.643 342 A N 1.478 124.518 122.820 0.367 0.000 1.884 342 A HA -0.553 nan 4.320 nan 0.000 0.219 342 A C 1.239 178.941 177.584 0.197 0.000 1.197 342 A CA 3.441 55.632 52.037 0.257 0.000 0.637 342 A CB -1.127 17.975 19.000 0.170 0.000 0.827 342 A HN -0.032 8.151 8.150 0.334 0.167 0.450 343 H N -4.019 115.035 119.070 -0.026 0.000 2.423 343 H HA -0.316 nan 4.556 nan 0.000 0.297 343 H C 2.298 177.551 175.328 -0.125 0.000 1.075 343 H CA 2.751 58.724 56.048 -0.126 0.000 1.342 343 H CB -0.614 29.017 29.762 -0.218 0.000 1.395 343 H HN 0.165 8.761 8.280 0.528 0.000 0.530 344 H N 0.934 119.784 119.070 -0.367 0.000 2.363 344 H HA -0.281 nan 4.556 nan 0.000 0.301 344 H C 2.346 177.579 175.328 -0.159 0.000 1.074 344 H CA 3.292 59.065 56.048 -0.457 0.000 1.354 344 H CB 0.056 29.302 29.762 -0.859 0.000 1.397 344 H HN -0.548 7.187 8.280 -0.703 0.123 0.516 345 D N -0.096 120.449 120.400 0.242 0.000 2.117 345 D HA -0.279 nan 4.640 nan 0.000 0.197 345 D C 2.305 178.757 176.300 0.253 0.000 0.987 345 D CA 3.350 57.572 54.000 0.370 0.000 0.829 345 D CB -0.161 40.841 40.800 0.336 0.000 0.961 345 D HN -0.074 8.439 8.370 0.238 0.000 0.460 346 L N -0.583 120.737 121.223 0.163 0.000 2.056 346 L HA -0.331 nan 4.340 nan 0.000 0.207 346 L C 1.412 178.342 176.870 0.100 0.000 1.078 346 L CA 2.856 57.767 54.840 0.119 0.000 0.749 346 L CB 0.009 42.102 42.059 0.057 0.000 0.901 346 L HN -0.352 7.961 8.230 0.138 0.000 0.433 347 Y N -0.518 119.721 120.300 -0.101 0.000 2.256 347 Y HA -0.456 nan 4.550 nan 0.000 0.288 347 Y C 1.836 177.818 175.900 0.137 0.000 1.155 347 Y CA 4.000 62.001 58.100 -0.165 0.000 1.203 347 Y CB -0.166 37.812 38.460 -0.803 0.000 0.980 347 Y HN -0.375 7.932 8.280 0.045 0.000 0.530 348 L N -2.419 118.953 121.223 0.249 0.000 2.042 348 L HA -0.462 nan 4.340 nan 0.000 0.210 348 L C 1.982 179.104 176.870 0.420 0.000 1.076 348 L CA 3.435 58.517 54.840 0.404 0.000 0.749 348 L CB -0.429 41.842 42.059 0.353 0.000 0.893 348 L HN -0.542 7.822 8.230 0.244 0.012 0.432 349 L N -2.570 118.782 121.223 0.214 0.000 2.072 349 L HA -0.348 nan 4.340 nan 0.000 0.205 349 L C 1.949 178.812 176.870 -0.012 0.000 1.079 349 L CA 2.584 57.447 54.840 0.038 0.000 0.752 349 L CB -0.859 41.215 42.059 0.027 0.000 0.906 349 L HN -0.658 7.590 8.230 0.199 0.101 0.436 350 A N -0.275 122.531 122.820 -0.023 0.000 1.908 350 A HA -0.362 nan 4.320 nan 0.000 0.218 350 A C 1.323 178.853 177.584 -0.090 0.000 1.181 350 A CA 3.003 55.009 52.037 -0.052 0.000 0.627 350 A CB -0.771 18.183 19.000 -0.078 0.000 0.818 350 A HN -0.054 8.092 8.150 -0.008 0.000 0.445 351 Y N -2.100 118.035 120.300 -0.274 0.000 2.163 351 Y HA -0.364 nan 4.550 nan 0.000 0.288 351 Y C 1.989 177.917 175.900 0.046 0.000 1.136 351 Y CA 2.910 60.945 58.100 -0.108 0.000 1.147 351 Y CB 0.669 39.093 38.460 -0.060 0.000 0.987 351 Y HN -0.069 7.997 8.280 -0.179 0.106 0.509 352 A N -0.622 122.246 122.820 0.080 0.000 1.978 352 A HA -0.284 nan 4.320 nan 0.000 0.220 352 A C 1.262 178.635 177.584 -0.352 0.000 1.170 352 A CA 2.852 54.764 52.037 -0.207 0.000 0.636 352 A CB -0.517 18.366 19.000 -0.195 0.000 0.810 352 A HN 0.019 8.315 8.150 0.245 0.000 0.448 353 L N -4.326 116.730 121.223 -0.278 0.000 2.791 353 L HA 0.207 nan 4.340 nan 0.000 0.239 353 L C 0.621 177.265 176.870 -0.377 0.000 1.203 353 L CA -1.354 53.298 54.840 -0.313 0.000 1.002 353 L CB -1.665 40.302 42.059 -0.153 0.000 1.295 353 L HN -0.200 7.902 8.230 -0.177 0.022 0.504 354 W N -0.044 120.994 121.300 -0.438 0.000 2.313 354 W HA -0.223 nan 4.660 nan 0.000 0.293 354 W C -1.769 174.471 176.519 -0.465 0.000 1.216 354 W CA 3.726 60.766 57.345 -0.508 0.000 1.223 354 W CB -3.436 25.590 29.460 -0.724 0.000 1.138 354 W HN 0.291 8.065 8.180 -0.389 0.172 0.535 355 P HA -0.134 nan 4.420 nan 0.000 0.228 355 P C -0.046 176.974 177.300 -0.468 0.000 1.151 355 P CA 1.885 64.349 63.100 -1.059 0.000 0.770 355 P CB -0.663 30.294 31.700 -1.239 0.000 0.786 356 T N -6.830 107.514 114.554 -0.349 0.000 3.081 356 T HA 0.119 nan 4.350 nan 0.000 0.250 356 T C 0.942 175.558 174.700 -0.141 0.000 1.100 356 T CA -0.029 61.969 62.100 -0.171 0.000 1.038 356 T CB 0.121 68.955 68.868 -0.056 0.000 0.962 356 T HN -0.198 7.758 8.240 -0.392 0.048 0.516 357 G N 1.267 109.878 108.800 -0.315 0.000 2.535 357 G HA2 0.190 nan 3.960 nan 0.000 0.282 357 G HA3 0.190 nan 3.960 nan 0.000 0.282 357 G C -1.713 172.948 174.900 -0.399 0.000 1.350 357 G CA -1.074 43.674 45.100 -0.588 0.000 1.039 357 G HN -0.386 7.636 8.290 -0.362 0.051 0.509 358 F N -4.730 114.801 119.950 -0.699 0.000 2.815 358 F HA 0.327 nan 4.527 nan 0.000 0.335 358 F C -2.204 173.483 175.800 -0.188 0.000 1.179 358 F CA -3.529 54.309 58.000 -0.269 0.000 1.204 358 F CB 0.168 39.132 39.000 -0.060 0.000 1.050 358 F HN -0.336 7.109 8.300 -1.427 0.000 0.510 359 F N -5.160 114.556 119.950 -0.389 0.000 2.686 359 F HA 0.518 nan 4.527 nan 0.000 0.311 359 F C -1.885 173.769 175.800 -0.243 0.000 1.128 359 F CA -2.120 55.631 58.000 -0.415 0.000 0.946 359 F CB 2.382 40.994 39.000 -0.645 0.000 1.336 359 F HN -0.857 6.568 8.300 -1.351 0.065 0.457 360 R N -0.246 120.235 120.500 -0.032 0.000 2.407 360 R HA 0.645 nan 4.340 nan 0.000 0.303 360 R C -0.757 175.571 176.300 0.047 0.000 0.981 360 R CA -0.599 55.451 56.100 -0.083 0.000 0.905 360 R CB 1.602 31.835 30.300 -0.111 0.000 1.099 360 R HN 0.195 8.741 8.270 0.007 -0.272 0.459 361 L N 2.621 123.857 121.223 0.022 0.000 2.341 361 L HA 0.497 nan 4.340 nan 0.000 0.267 361 L C -1.623 175.403 176.870 0.260 0.000 1.009 361 L CA -1.386 53.585 54.840 0.217 0.000 0.819 361 L CB 3.560 45.807 42.059 0.313 0.000 1.323 361 L HN 0.549 8.690 8.230 -0.149 0.000 0.425 362 A N -0.515 122.517 122.820 0.354 0.000 2.401 362 A HA 0.593 nan 4.320 nan 0.000 0.310 362 A C -1.386 176.317 177.584 0.199 0.000 1.075 362 A CA -1.731 50.471 52.037 0.275 0.000 0.746 362 A CB 2.731 21.843 19.000 0.185 0.000 1.277 362 A HN -0.249 8.144 8.150 0.404 0.000 0.425 363 L N 0.953 122.201 121.223 0.042 0.000 2.417 363 L HA 0.143 nan 4.340 nan 0.000 0.268 363 L C -1.125 175.724 176.870 -0.035 0.000 1.158 363 L CA -1.771 52.965 54.840 -0.173 0.000 0.819 363 L CB -0.597 41.389 42.059 -0.123 0.000 1.112 363 L HN 0.459 8.757 8.230 0.114 0.000 0.458 364 P HA 0.050 nan 4.420 nan 0.000 0.268 364 P C -1.344 176.008 177.300 0.086 0.000 1.204 364 P CA -0.646 62.505 63.100 0.084 0.000 0.768 364 P CB 0.429 32.290 31.700 0.269 0.000 0.842 365 D N 2.912 123.334 120.400 0.036 0.000 2.411 365 D HA -0.060 nan 4.640 nan 0.000 0.251 365 D C 1.124 177.453 176.300 0.048 0.000 1.201 365 D CA -0.984 53.037 54.000 0.035 0.000 0.996 365 D CB 0.504 41.300 40.800 -0.007 0.000 1.101 365 D HN 0.032 8.756 8.370 -0.007 -0.359 0.504 366 Q N -0.466 119.362 119.800 0.047 0.000 2.133 366 Q HA -0.387 nan 4.340 nan 0.000 0.208 366 Q C 2.107 178.119 176.000 0.021 0.000 0.991 366 Q CA 3.681 59.514 55.803 0.051 0.000 0.867 366 Q CB -0.265 28.494 28.738 0.034 0.000 0.911 366 Q HN 0.418 8.712 8.270 0.040 0.000 0.417 367 E N -1.281 118.906 120.200 -0.022 0.000 2.072 367 E HA -0.353 nan 4.350 nan 0.000 0.191 367 E C 2.592 179.151 176.600 -0.068 0.000 0.985 367 E CA 2.927 59.299 56.400 -0.046 0.000 0.801 367 E CB -0.486 29.161 29.700 -0.089 0.000 0.750 367 E HN -0.307 8.107 8.360 -0.030 -0.073 0.452 368 E N 0.098 120.222 120.200 -0.128 0.000 2.047 368 E HA -0.323 nan 4.350 nan 0.000 0.191 368 E C 2.536 179.038 176.600 -0.163 0.000 0.987 368 E CA 2.892 59.135 56.400 -0.262 0.000 0.799 368 E CB -0.135 29.394 29.700 -0.286 0.000 0.752 368 E HN -0.141 8.457 8.360 -0.105 -0.301 0.449 369 M N -0.775 118.848 119.600 0.037 0.000 2.108 369 M HA -0.456 nan 4.480 nan 0.000 0.261 369 M C 2.361 178.710 176.300 0.082 0.000 1.066 369 M CA 4.467 59.842 55.300 0.125 0.000 1.107 369 M CB -0.198 32.632 32.600 0.383 0.000 1.356 369 M HN 0.213 8.543 8.290 0.068 0.000 0.406 370 E N -0.720 119.513 120.200 0.056 0.000 2.072 370 E HA -0.354 nan 4.350 nan 0.000 0.191 370 E C 2.133 178.745 176.600 0.021 0.000 0.985 370 E CA 2.848 59.273 56.400 0.040 0.000 0.801 370 E CB -0.326 29.387 29.700 0.022 0.000 0.750 370 E HN -0.398 7.911 8.360 0.045 0.077 0.452 371 W N 1.430 122.601 121.300 -0.215 0.000 2.355 371 W HA -0.393 nan 4.660 nan 0.000 0.309 371 W C 2.028 178.396 176.519 -0.252 0.000 1.206 371 W CA 4.113 61.292 57.345 -0.277 0.000 1.284 371 W CB 0.071 29.268 29.460 -0.439 0.000 1.145 371 W HN 0.037 8.186 8.180 0.078 0.078 0.502 372 F N -2.444 117.431 119.950 -0.124 0.000 2.075 372 F HA -0.544 nan 4.527 nan 0.000 0.297 372 F C 2.161 177.834 175.800 -0.212 0.000 1.113 372 F CA 3.482 61.219 58.000 -0.439 0.000 1.218 372 F CB -0.565 37.541 39.000 -1.489 0.000 0.984 372 F HN 0.540 8.622 8.300 -0.182 0.109 0.472 373 E N -0.705 119.578 120.200 0.138 0.000 2.085 373 E HA -0.347 nan 4.350 nan 0.000 0.194 373 E C 1.968 178.633 176.600 0.108 0.000 0.994 373 E CA 2.549 59.112 56.400 0.272 0.000 0.801 373 E CB -0.375 29.503 29.700 0.296 0.000 0.743 373 E HN -0.110 8.306 8.360 0.094 0.000 0.453 374 A N -1.267 121.526 122.820 -0.045 0.000 1.933 374 A HA -0.141 nan 4.320 nan 0.000 0.218 374 A C 1.642 179.088 177.584 -0.230 0.000 1.175 374 A CA 2.422 54.380 52.037 -0.131 0.000 0.628 374 A CB -0.143 18.741 19.000 -0.194 0.000 0.814 374 A HN -0.141 7.970 8.150 -0.066 0.000 0.444 375 N N -4.212 114.256 118.700 -0.387 0.000 2.392 375 N HA -0.006 nan 4.740 nan 0.000 0.177 375 N C -0.507 174.617 175.510 -0.645 0.000 1.066 375 N CA 1.171 53.858 53.050 -0.604 0.000 0.895 375 N CB 1.780 39.651 38.487 -1.026 0.000 0.988 375 N HN -0.479 7.554 8.380 -0.392 0.112 0.457 376 Y N -1.453 118.825 120.300 -0.038 0.000 2.563 376 Y HA 0.329 nan 4.550 nan 0.000 0.351 376 Y C -2.636 173.470 175.900 0.344 0.000 1.087 376 Y CA -2.952 55.215 58.100 0.112 0.000 1.272 376 Y CB 0.776 39.267 38.460 0.052 0.000 1.095 376 Y HN -0.112 8.128 8.280 0.113 0.108 0.620 377 P HA -0.301 nan 4.420 nan 0.000 0.262 377 P C 0.022 177.653 177.300 0.552 0.000 1.182 377 P CA 0.711 64.039 63.100 0.380 0.000 0.761 377 P CB -0.342 31.502 31.700 0.241 0.000 0.795 378 G N 2.354 111.440 108.800 0.476 0.000 2.194 378 G HA2 -0.332 nan 3.960 nan 0.000 0.236 378 G HA3 -0.332 nan 3.960 nan 0.000 0.236 378 G C 0.669 175.821 174.900 0.420 0.000 0.987 378 G CA 0.132 45.470 45.100 0.397 0.000 0.635 378 G HN 0.333 9.349 8.290 0.415 -0.477 0.520 379 W N 2.436 124.021 121.300 0.476 0.000 2.333 379 W HA -0.434 nan 4.660 nan 0.000 0.316 379 W C 0.280 176.989 176.519 0.316 0.000 1.215 379 W CA 4.677 62.293 57.345 0.451 0.000 1.278 379 W CB 0.162 29.828 29.460 0.344 0.000 1.154 379 W HN -0.132 8.517 8.180 0.859 0.047 0.486 380 Y N -0.528 120.081 120.300 0.515 0.000 2.181 380 Y HA -0.595 nan 4.550 nan 0.000 0.288 380 Y C 1.334 177.211 175.900 -0.038 0.000 1.146 380 Y CA 4.082 62.342 58.100 0.267 0.000 1.164 380 Y CB -0.173 38.507 38.460 0.367 0.000 0.982 380 Y HN 0.211 9.371 8.280 0.868 -0.359 0.515 381 D N -2.963 117.374 120.400 -0.105 0.000 2.182 381 D HA -0.336 nan 4.640 nan 0.000 0.201 381 D C 0.966 177.031 176.300 -0.392 0.000 0.986 381 D CA 2.981 56.840 54.000 -0.235 0.000 0.847 381 D CB -0.352 40.418 40.800 -0.050 0.000 0.942 381 D HN 0.136 8.607 8.370 0.168 0.000 0.467 382 H N -0.560 118.159 119.070 -0.585 0.000 2.292 382 H HA 0.001 nan 4.556 nan 0.000 0.325 382 H C 1.890 176.590 175.328 -1.047 0.000 1.119 382 H CA 2.475 58.026 56.048 -0.829 0.000 1.617 382 H CB 1.377 30.500 29.762 -1.065 0.000 1.502 382 H HN -0.799 7.267 8.280 -0.317 0.025 0.615 383 Y N -2.100 117.620 120.300 -0.966 0.000 2.163 383 Y HA -0.317 nan 4.550 nan 0.000 0.288 383 Y C 2.476 177.570 175.900 -1.344 0.000 1.136 383 Y CA 3.342 60.650 58.100 -1.320 0.000 1.147 383 Y CB -0.357 37.243 38.460 -1.433 0.000 0.987 383 Y HN -0.158 7.512 8.280 -1.016 0.000 0.509 384 G N -1.408 106.666 108.800 -1.209 0.000 2.491 384 G HA2 -0.459 nan 3.960 nan 0.000 0.218 384 G HA3 -0.459 nan 3.960 nan 0.000 0.218 384 G C 1.401 175.966 174.900 -0.558 0.000 1.180 384 G CA 2.151 46.911 45.100 -0.567 0.000 0.774 384 G HN -0.100 7.359 8.290 -1.385 0.000 0.562 385 K N 1.759 121.645 120.400 -0.857 0.000 2.097 385 K HA -0.296 nan 4.320 nan 0.000 0.206 385 K C 2.578 178.801 176.600 -0.630 0.000 1.049 385 K CA 2.372 58.266 56.287 -0.654 0.000 0.933 385 K CB -0.525 31.614 32.500 -0.602 0.000 0.717 385 K HN -0.103 7.547 8.250 -0.999 0.000 0.442 386 I N 0.092 120.110 120.570 -0.920 0.000 2.179 386 I HA -0.516 nan 4.170 nan 0.000 0.242 386 I C 1.956 177.261 176.117 -1.354 0.000 1.088 386 I CA 4.201 64.719 61.300 -1.304 0.000 1.357 386 I CB -0.119 36.840 38.000 -1.736 0.000 1.051 386 I HN -0.626 6.911 8.210 -0.994 0.077 0.409 387 Y N -1.615 118.147 120.300 -0.896 0.000 2.224 387 Y HA -0.507 nan 4.550 nan 0.000 0.289 387 Y C 2.549 178.294 175.900 -0.258 0.000 1.146 387 Y CA 2.810 60.581 58.100 -0.549 0.000 1.182 387 Y CB -1.200 37.103 38.460 -0.261 0.000 0.983 387 Y HN 0.038 7.683 8.280 -1.060 0.000 0.524 388 E N -1.248 118.903 120.200 -0.083 0.000 2.106 388 E HA -0.427 nan 4.350 nan 0.000 0.192 388 E C 2.246 178.824 176.600 -0.037 0.000 0.984 388 E CA 3.234 59.633 56.400 -0.002 0.000 0.806 388 E CB -0.434 29.280 29.700 0.022 0.000 0.750 388 E HN -0.122 8.126 8.360 -0.171 0.009 0.458 389 E N 0.620 120.720 120.200 -0.167 0.000 2.072 389 E HA -0.289 nan 4.350 nan 0.000 0.191 389 E C 2.406 179.035 176.600 0.047 0.000 0.985 389 E CA 3.035 59.376 56.400 -0.098 0.000 0.801 389 E CB -0.026 29.572 29.700 -0.170 0.000 0.750 389 E HN -0.167 7.920 8.360 -0.315 0.083 0.452 390 W N -1.548 119.676 121.300 -0.126 0.000 2.363 390 W HA -0.204 nan 4.660 nan 0.000 0.296 390 W C 2.404 178.980 176.519 0.094 0.000 1.212 390 W CA 1.767 59.142 57.345 0.050 0.000 1.260 390 W CB -0.647 28.947 29.460 0.223 0.000 1.131 390 W HN 0.200 8.195 8.180 -0.190 0.071 0.530 391 R N -0.351 120.331 120.500 0.304 0.000 2.075 391 R HA -0.370 nan 4.340 nan 0.000 0.232 391 R C 2.792 179.169 176.300 0.128 0.000 1.126 391 R CA 3.300 59.536 56.100 0.226 0.000 0.963 391 R CB -0.213 30.190 30.300 0.172 0.000 0.858 391 R HN 0.199 8.620 8.270 0.252 0.000 0.435 392 A N 0.476 123.337 122.820 0.069 0.000 1.933 392 A HA -0.175 nan 4.320 nan 0.000 0.218 392 A C 1.699 179.258 177.584 -0.042 0.000 1.175 392 A CA 2.568 54.616 52.037 0.018 0.000 0.628 392 A CB -0.607 18.396 19.000 0.005 0.000 0.814 392 A HN 0.023 8.216 8.150 0.072 0.000 0.444 393 R N -3.815 116.594 120.500 -0.152 0.000 2.280 393 R HA -0.037 nan 4.340 nan 0.000 0.207 393 R C 0.261 176.421 176.300 -0.234 0.000 1.043 393 R CA -0.403 55.445 56.100 -0.421 0.000 1.006 393 R CB -0.155 29.389 30.300 -1.259 0.000 0.885 393 R HN -0.080 8.035 8.270 -0.110 0.089 0.467 394 G N -2.655 106.162 108.800 0.028 0.000 2.140 394 G HA2 -0.315 nan 3.960 nan 0.000 0.211 394 G HA3 -0.315 nan 3.960 nan 0.000 0.211 394 G C 1.008 176.191 174.900 0.473 0.000 1.013 394 G CA -0.196 45.030 45.100 0.210 0.000 0.705 394 G HN -0.198 7.922 8.290 0.051 0.200 0.508 395 C N -2.752 116.904 119.300 0.593 0.000 2.409 395 C HA -0.214 nan 4.460 nan 0.000 0.284 395 C C 0.461 175.796 174.990 0.574 0.000 1.354 395 C CA 1.415 60.870 59.018 0.728 0.000 1.787 395 C CB -1.165 27.035 27.740 0.767 0.000 1.900 395 C HN -0.053 8.459 8.230 0.470 0.000 0.520 396 E N -1.402 119.097 120.200 0.497 0.000 2.400 396 E HA -0.061 nan 4.350 nan 0.000 0.195 396 E C -0.517 176.465 176.600 0.636 0.000 1.012 396 E CA 0.600 57.294 56.400 0.490 0.000 0.875 396 E CB 0.295 30.185 29.700 0.316 0.000 0.859 396 E HN -0.031 8.551 8.360 0.427 0.034 0.498 397 D N 0.969 121.650 120.400 0.468 0.000 2.274 397 D HA 0.320 nan 4.640 nan 0.000 0.239 397 D C -1.292 174.869 176.300 -0.231 0.000 1.104 397 D CA -3.379 50.722 54.000 0.169 0.000 0.840 397 D CB 0.981 41.830 40.800 0.081 0.000 1.100 397 D HN -0.613 7.877 8.370 0.464 0.158 0.477 398 P HA -0.189 nan 4.420 nan 0.000 0.217 398 P C 0.172 177.045 177.300 -0.712 0.000 1.148 398 P CA 2.134 64.415 63.100 -1.365 0.000 0.828 398 P CB 0.136 31.350 31.700 -0.809 0.000 0.783 399 S N -3.889 111.600 115.700 -0.352 0.000 2.593 399 S HA -0.059 nan 4.470 nan 0.000 0.217 399 S C 1.406 175.948 174.600 -0.098 0.000 0.966 399 S CA 1.654 59.740 58.200 -0.189 0.000 0.914 399 S CB -0.190 62.941 63.200 -0.115 0.000 0.776 399 S HN -0.289 8.247 8.310 -0.283 -0.396 0.523 400 S N 2.404 118.067 115.700 -0.062 0.000 2.387 400 S HA -0.076 nan 4.470 nan 0.000 0.226 400 S C 0.867 175.544 174.600 0.128 0.000 1.026 400 S CA 1.322 59.570 58.200 0.079 0.000 0.972 400 S CB 0.461 63.790 63.200 0.215 0.000 0.814 400 S HN -0.232 7.831 8.310 -0.134 0.166 0.477 401 G N 1.567 110.442 108.800 0.124 0.000 2.160 401 G HA2 -0.238 nan 3.960 nan 0.000 0.244 401 G HA3 -0.238 nan 3.960 nan 0.000 0.244 401 G C -1.252 173.832 174.900 0.308 0.000 1.022 401 G CA -0.022 45.175 45.100 0.162 0.000 0.741 401 G HN -0.130 8.175 8.290 0.025 0.000 0.508 402 F N 0.435 120.543 119.950 0.265 0.000 2.507 402 F HA 0.314 nan 4.527 nan 0.000 0.325 402 F C -2.359 173.626 175.800 0.309 0.000 1.116 402 F CA -1.330 56.817 58.000 0.244 0.000 0.930 402 F CB 2.428 41.553 39.000 0.209 0.000 1.146 402 F HN -0.613 8.011 8.300 0.570 0.018 0.447 403 I N 5.999 126.158 120.570 -0.686 0.000 2.465 403 I HA 0.345 nan 4.170 nan 0.000 0.291 403 I C -1.110 174.223 176.117 -1.308 0.000 1.014 403 I CA -4.609 56.270 61.300 -0.701 0.000 1.093 403 I CB 1.476 39.165 38.000 -0.519 0.000 1.267 403 I HN -0.448 7.300 8.210 -0.771 0.000 0.431 404 P HA -0.152 nan 4.420 nan 0.000 0.219 404 P C 0.901 177.911 177.300 -0.483 0.000 1.146 404 P CA 2.414 64.820 63.100 -1.158 0.000 0.808 404 P CB 0.089 30.922 31.700 -1.446 0.000 0.779 405 L N -2.471 118.516 121.223 -0.393 0.000 2.129 405 L HA -0.346 nan 4.340 nan 0.000 0.212 405 L C 1.425 178.274 176.870 -0.035 0.000 1.087 405 L CA 3.020 57.764 54.840 -0.160 0.000 0.757 405 L CB -0.384 41.492 42.059 -0.304 0.000 0.896 405 L HN -0.679 7.208 8.230 -0.532 0.024 0.434 406 M N -2.277 117.209 119.600 -0.190 0.000 2.159 406 M HA -0.436 nan 4.480 nan 0.000 0.263 406 M C 1.819 178.215 176.300 0.159 0.000 1.063 406 M CA 4.176 59.446 55.300 -0.051 0.000 1.110 406 M CB -0.337 32.214 32.600 -0.082 0.000 1.374 406 M HN -0.045 7.864 8.290 -0.423 0.127 0.411 407 W N 0.434 121.764 121.300 0.051 0.000 2.388 407 W HA -0.388 nan 4.660 nan 0.000 0.294 407 W C 1.634 178.205 176.519 0.086 0.000 1.212 407 W CA 4.094 61.539 57.345 0.167 0.000 1.271 407 W CB -0.014 29.630 29.460 0.307 0.000 1.126 407 W HN -0.105 8.053 8.180 0.194 0.139 0.535 408 F N -1.235 118.876 119.950 0.269 0.000 2.134 408 F HA -0.502 nan 4.527 nan 0.000 0.299 408 F C 2.094 177.829 175.800 -0.108 0.000 1.097 408 F CA 4.885 62.951 58.000 0.111 0.000 1.264 408 F CB -0.257 38.822 39.000 0.131 0.000 1.001 408 F HN -0.632 7.970 8.300 0.693 0.113 0.479 409 I N -1.054 119.555 120.570 0.066 0.000 2.142 409 I HA -0.618 nan 4.170 nan 0.000 0.240 409 I C 2.383 178.417 176.117 -0.138 0.000 1.078 409 I CA 4.325 65.588 61.300 -0.063 0.000 1.343 409 I CB -0.324 37.637 38.000 -0.065 0.000 1.046 409 I HN -0.254 8.036 8.210 0.134 0.000 0.405 410 E N 0.145 120.263 120.200 -0.137 0.000 2.160 410 E HA -0.333 nan 4.350 nan 0.000 0.195 410 E C 1.427 177.837 176.600 -0.316 0.000 0.991 410 E CA 2.998 59.288 56.400 -0.183 0.000 0.810 410 E CB -0.203 29.421 29.700 -0.127 0.000 0.742 410 E HN -0.004 8.314 8.360 -0.070 0.000 0.466 411 N N -2.877 115.525 118.700 -0.496 0.000 2.276 411 N HA 0.084 nan 4.740 nan 0.000 0.212 411 N C -1.152 173.926 175.510 -0.719 0.000 1.127 411 N CA -0.222 52.428 53.050 -0.666 0.000 0.834 411 N CB 0.270 38.138 38.487 -1.031 0.000 1.014 411 N HN -0.434 7.627 8.380 -0.501 0.018 0.491 412 N N -0.530 117.896 118.700 -0.457 0.000 2.688 412 N HA -0.552 nan 4.740 nan 0.000 0.258 412 N C -1.384 173.879 175.510 -0.412 0.000 1.016 412 N CA 1.282 54.109 53.050 -0.372 0.000 0.747 412 N CB -0.907 37.386 38.487 -0.324 0.000 0.895 412 N HN -0.421 7.569 8.380 -0.350 0.180 0.543 413 H N -0.060 118.924 119.070 -0.143 0.000 2.530 413 H HA 0.351 nan 4.556 nan 0.000 0.246 413 H C -2.057 173.282 175.328 0.018 0.000 1.346 413 H CA -2.936 53.093 56.048 -0.032 0.000 1.424 413 H CB 0.916 30.659 29.762 -0.032 0.000 1.445 413 H HN -0.080 8.127 8.280 -0.123 0.000 0.511 414 P HA -0.101 nan 4.420 nan 0.000 0.268 414 P C -1.814 175.190 177.300 -0.493 0.000 1.205 414 P CA -0.115 62.761 63.100 -0.373 0.000 0.771 414 P CB 1.117 32.474 31.700 -0.572 0.000 0.858 415 I N 1.496 121.695 120.570 -0.617 0.000 2.339 415 I HA 0.229 nan 4.170 nan 0.000 0.290 415 I C -0.828 174.899 176.117 -0.650 0.000 0.994 415 I CA -0.733 60.272 61.300 -0.491 0.000 1.191 415 I CB 1.575 39.395 38.000 -0.299 0.000 1.343 415 I HN -0.209 7.599 8.210 -0.670 0.000 0.458 416 Y N 5.801 125.874 120.300 -0.378 0.000 2.534 416 Y HA 0.445 nan 4.550 nan 0.000 0.329 416 Y C -1.227 174.661 175.900 -0.021 0.000 1.154 416 Y CA -1.848 56.065 58.100 -0.312 0.000 1.192 416 Y CB 3.434 41.492 38.460 -0.672 0.000 1.275 416 Y HN 0.743 8.704 8.280 -0.532 0.000 0.491 417 I N -0.153 120.631 120.570 0.356 0.000 2.418 417 I HA 0.192 nan 4.170 nan 0.000 0.287 417 I C -1.423 174.905 176.117 0.351 0.000 1.008 417 I CA -2.662 58.840 61.300 0.336 0.000 1.104 417 I CB 1.390 39.496 38.000 0.176 0.000 1.264 417 I HN 0.427 8.848 8.210 0.352 0.000 0.438 418 D N 7.005 127.627 120.400 0.369 0.000 2.434 418 D HA -0.147 nan 4.640 nan 0.000 0.252 418 D C 0.847 177.183 176.300 0.060 0.000 1.185 418 D CA 0.769 54.862 54.000 0.154 0.000 0.886 418 D CB 1.090 41.919 40.800 0.047 0.000 1.148 418 D HN -0.160 8.461 8.370 0.418 0.000 0.483 419 R N 7.589 128.044 120.500 -0.075 0.000 2.152 419 R HA -0.252 nan 4.340 nan 0.000 0.232 419 R C 0.421 176.800 176.300 0.132 0.000 1.117 419 R CA 2.306 58.395 56.100 -0.018 0.000 0.981 419 R CB -0.021 30.151 30.300 -0.213 0.000 0.870 419 R HN 0.234 8.347 8.270 -0.262 0.000 0.451 420 V N -4.185 115.799 119.914 0.118 0.000 2.391 420 V HA -0.103 nan 4.120 nan 0.000 0.237 420 V C 0.976 177.092 176.094 0.038 0.000 1.046 420 V CA 2.140 64.434 62.300 -0.010 0.000 1.053 420 V CB 0.205 31.917 31.823 -0.186 0.000 0.704 420 V HN -0.706 7.750 8.190 0.131 -0.188 0.475 421 S N -3.419 112.313 115.700 0.052 0.000 2.496 421 S HA -0.140 nan 4.470 nan 0.000 0.224 421 S C 0.891 175.499 174.600 0.014 0.000 0.996 421 S CA 1.342 59.562 58.200 0.033 0.000 0.927 421 S CB 1.536 64.762 63.200 0.044 0.000 0.774 421 S HN -0.311 8.359 8.310 0.075 -0.315 0.524 422 Q N -3.995 115.832 119.800 0.044 0.000 2.374 422 Q HA -0.286 nan 4.340 nan 0.000 0.218 422 Q C -0.604 175.449 176.000 0.089 0.000 0.691 422 Q CA 0.771 56.596 55.803 0.037 0.000 1.340 422 Q CB -2.204 26.506 28.738 -0.048 0.000 1.498 422 Q HN -0.150 8.028 8.270 0.064 0.131 0.739 423 V N 2.675 122.662 119.914 0.121 0.000 2.508 423 V HA 0.080 nan 4.120 nan 0.000 0.281 423 V C -1.860 174.386 176.094 0.254 0.000 1.041 423 V CA -1.306 61.088 62.300 0.156 0.000 1.016 423 V CB -0.488 31.397 31.823 0.103 0.000 0.984 423 V HN -0.687 7.505 8.190 0.097 0.057 0.478 424 P HA 0.466 nan 4.420 nan 0.000 0.271 424 P C -2.006 175.548 177.300 0.423 0.000 1.218 424 P CA 0.293 63.571 63.100 0.297 0.000 0.780 424 P CB 0.345 32.144 31.700 0.164 0.000 0.901 425 F N -0.992 119.058 119.950 0.167 0.000 2.641 425 F HA 0.319 nan 4.527 nan 0.000 0.308 425 F C -3.142 172.789 175.800 0.218 0.000 1.105 425 F CA -1.834 56.277 58.000 0.185 0.000 0.964 425 F CB 2.237 41.349 39.000 0.188 0.000 1.294 425 F HN 0.487 8.924 8.300 0.229 0.000 0.442 426 C N 4.411 123.827 119.300 0.193 0.000 2.647 426 C HA 0.460 nan 4.460 nan 0.000 0.273 426 C C -1.117 174.005 174.990 0.220 0.000 1.088 426 C CA -4.183 54.913 59.018 0.129 0.000 1.529 426 C CB -0.571 27.311 27.740 0.238 0.000 1.810 426 C HN 0.531 8.957 8.230 0.328 0.000 0.422 427 P HA -0.197 nan 4.420 nan 0.000 0.216 427 P C -0.235 177.191 177.300 0.211 0.000 1.154 427 P CA 2.616 65.889 63.100 0.290 0.000 0.865 427 P CB -0.077 31.811 31.700 0.313 0.000 0.789 428 S N -5.220 110.609 115.700 0.216 0.000 2.474 428 S HA -0.122 nan 4.470 nan 0.000 0.235 428 S C 0.971 175.668 174.600 0.161 0.000 0.997 428 S CA 1.924 60.255 58.200 0.220 0.000 0.949 428 S CB 0.174 63.560 63.200 0.309 0.000 0.766 428 S HN 0.205 8.655 8.310 0.234 0.000 0.517 429 L N 0.630 121.888 121.223 0.058 0.000 2.445 429 L HA 0.137 nan 4.340 nan 0.000 0.207 429 L C -0.816 176.075 176.870 0.036 0.000 1.053 429 L CA 0.186 54.982 54.840 -0.074 0.000 0.841 429 L CB 0.948 42.874 42.059 -0.220 0.000 1.074 429 L HN -0.507 7.624 8.230 0.120 0.171 0.479 430 A N -1.336 121.534 122.820 0.083 0.000 2.603 430 A HA -0.218 nan 4.320 nan 0.000 0.235 430 A C -0.492 177.019 177.584 -0.123 0.000 1.035 430 A CA 1.120 53.195 52.037 0.063 0.000 0.755 430 A CB 0.458 19.566 19.000 0.180 0.000 0.954 430 A HN -0.358 7.871 8.150 0.132 0.000 0.511 431 K N 4.136 124.356 120.400 -0.300 0.000 2.400 431 K HA -0.072 nan 4.320 nan 0.000 0.194 431 K C 0.068 176.603 176.600 -0.109 0.000 1.033 431 K CA 0.643 56.607 56.287 -0.539 0.000 1.021 431 K CB 0.509 32.239 32.500 -1.283 0.000 0.808 431 K HN -0.005 8.539 8.250 -0.197 -0.412 0.505 432 G N -2.496 106.393 108.800 0.149 0.000 2.666 432 G HA2 0.034 nan 3.960 nan 0.000 0.207 432 G HA3 0.034 nan 3.960 nan 0.000 0.207 432 G C 0.193 175.224 174.900 0.219 0.000 1.481 432 G CA -1.061 44.221 45.100 0.303 0.000 1.071 432 G HN -0.670 7.874 8.290 0.137 -0.171 0.572 433 A N 1.456 124.414 122.820 0.231 0.000 1.957 433 A HA -0.344 nan 4.320 nan 0.000 0.224 433 A C 0.824 178.516 177.584 0.180 0.000 1.287 433 A CA 2.032 54.192 52.037 0.205 0.000 0.682 433 A CB -0.562 18.562 19.000 0.207 0.000 0.833 433 A HN 0.588 8.889 8.150 0.252 0.000 0.482 434 S N -6.419 109.400 115.700 0.199 0.000 3.119 434 S HA -0.359 nan 4.470 nan 0.000 0.298 434 S C -0.425 174.288 174.600 0.189 0.000 1.294 434 S CA 0.385 58.700 58.200 0.192 0.000 1.091 434 S CB -0.962 62.318 63.200 0.133 0.000 1.271 434 S HN 0.151 8.593 8.310 0.221 0.000 0.693 435 T N 0.922 115.582 114.554 0.177 0.000 2.909 435 T HA 0.035 nan 4.350 nan 0.000 0.289 435 T C -1.377 173.431 174.700 0.180 0.000 1.005 435 T CA 0.099 62.280 62.100 0.135 0.000 1.084 435 T CB 0.994 69.915 68.868 0.088 0.000 0.975 435 T HN -0.106 8.141 8.240 0.176 0.100 0.509 436 L N 3.864 125.166 121.223 0.131 0.000 2.526 436 L HA 0.373 nan 4.340 nan 0.000 0.263 436 L C -1.679 175.181 176.870 -0.017 0.000 0.943 436 L CA -0.196 54.725 54.840 0.135 0.000 0.859 436 L CB 2.646 44.778 42.059 0.121 0.000 1.313 436 L HN -0.013 8.266 8.230 0.081 0.000 0.406 437 R N 5.347 125.815 120.500 -0.055 0.000 2.476 437 R HA 0.385 nan 4.340 nan 0.000 0.305 437 R C -1.979 174.138 176.300 -0.304 0.000 0.965 437 R CA -1.065 54.932 56.100 -0.170 0.000 0.867 437 R CB 2.387 32.622 30.300 -0.109 0.000 1.176 437 R HN 0.534 8.810 8.270 0.009 0.000 0.447 438 V N 3.945 123.570 119.914 -0.483 0.000 2.444 438 V HA 0.552 nan 4.120 nan 0.000 0.294 438 V C -1.002 174.838 176.094 -0.424 0.000 1.022 438 V CA -1.186 60.798 62.300 -0.527 0.000 0.850 438 V CB 0.644 32.008 31.823 -0.766 0.000 0.992 438 V HN 0.327 8.252 8.190 -0.442 0.000 0.426 439 H N 6.857 125.877 119.070 -0.083 0.000 2.731 439 H HA 0.397 nan 4.556 nan 0.000 0.368 439 H C -1.665 173.673 175.328 0.016 0.000 1.168 439 H CA -1.708 54.339 56.048 -0.001 0.000 1.181 439 H CB 3.985 33.788 29.762 0.068 0.000 1.743 439 H HN 0.517 8.682 8.280 -0.193 0.000 0.547 440 E N 1.252 121.591 120.200 0.232 0.000 2.187 440 E HA 0.359 nan 4.350 nan 0.000 0.268 440 E C -1.773 175.031 176.600 0.340 0.000 0.896 440 E CA -1.159 55.357 56.400 0.194 0.000 0.766 440 E CB 2.394 32.157 29.700 0.106 0.000 1.142 440 E HN 0.246 8.754 8.360 0.247 0.000 0.408 441 Y N 6.105 126.550 120.300 0.242 0.000 2.362 441 Y HA 0.140 nan 4.550 nan 0.000 0.326 441 Y C -1.299 174.751 175.900 0.249 0.000 1.083 441 Y CA 0.069 58.344 58.100 0.292 0.000 1.073 441 Y CB 3.047 41.812 38.460 0.509 0.000 1.211 441 Y HN 0.903 9.408 8.280 0.376 0.000 0.433 442 N N 8.683 127.179 118.700 -0.340 0.000 2.716 442 N HA -0.491 nan 4.740 nan 0.000 0.250 442 N C 0.456 175.945 175.510 -0.035 0.000 1.033 442 N CA 0.508 53.402 53.050 -0.260 0.000 0.727 442 N CB -0.798 37.460 38.487 -0.381 0.000 0.950 442 N HN 1.031 9.175 8.380 -0.394 0.000 0.541 443 G N -4.861 103.942 108.800 0.004 0.000 2.143 443 G HA2 -0.447 nan 3.960 nan 0.000 0.249 443 G HA3 -0.447 nan 3.960 nan 0.000 0.249 443 G C -1.299 173.622 174.900 0.035 0.000 0.981 443 G CA 0.021 45.134 45.100 0.022 0.000 0.665 443 G HN 0.166 8.717 8.290 0.000 -0.261 0.528 444 E N -1.047 119.190 120.200 0.062 0.000 2.314 444 E HA 0.316 nan 4.350 nan 0.000 0.272 444 E C -2.115 174.391 176.600 -0.157 0.000 0.884 444 E CA -1.560 54.819 56.400 -0.035 0.000 0.753 444 E CB 2.793 32.498 29.700 0.007 0.000 1.213 444 E HN -0.561 7.723 8.360 0.126 0.151 0.432 445 M N 3.600 123.024 119.600 -0.292 0.000 2.423 445 M HA 0.702 nan 4.480 nan 0.000 0.335 445 M C -0.999 174.908 176.300 -0.655 0.000 1.177 445 M CA -0.224 54.889 55.300 -0.313 0.000 1.038 445 M CB 3.130 35.641 32.600 -0.149 0.000 1.641 445 M HN 0.506 8.647 8.290 -0.249 0.000 0.455 446 H N 1.194 120.084 119.070 -0.300 0.000 2.679 446 H HA 0.499 nan 4.556 nan 0.000 0.360 446 H C -1.598 173.229 175.328 -0.835 0.000 1.105 446 H CA -1.105 54.578 56.048 -0.608 0.000 1.196 446 H CB 3.869 33.096 29.762 -0.891 0.000 1.636 446 H HN 0.829 8.973 8.280 -0.226 0.000 0.531 447 T N -0.676 113.418 114.554 -0.767 0.000 2.770 447 T HA 0.640 nan 4.350 nan 0.000 0.283 447 T C -1.546 172.703 174.700 -0.751 0.000 0.988 447 T CA -2.017 59.706 62.100 -0.629 0.000 0.957 447 T CB 0.917 69.616 68.868 -0.281 0.000 0.930 447 T HN 0.424 8.307 8.240 -0.595 0.000 0.443 448 F N 3.472 123.367 119.950 -0.092 0.000 2.538 448 F HA 0.564 nan 4.527 nan 0.000 0.325 448 F C 0.274 175.944 175.800 -0.216 0.000 1.066 448 F CA -2.333 55.590 58.000 -0.128 0.000 0.946 448 F CB 3.603 42.511 39.000 -0.154 0.000 1.199 448 F HN 0.904 8.949 8.300 -0.249 0.106 0.473 449 S N -1.084 114.465 115.700 -0.252 0.000 2.559 449 S HA 0.051 nan 4.470 nan 0.000 0.226 449 S C -1.157 173.373 174.600 -0.116 0.000 1.000 449 S CA -0.472 57.400 58.200 -0.547 0.000 0.948 449 S CB 1.439 63.891 63.200 -1.246 0.000 0.870 449 S HN 0.285 8.655 8.310 -0.110 -0.126 0.497 450 D N -4.123 116.288 120.400 0.017 0.000 2.622 450 D HA 0.101 nan 4.640 nan 0.000 0.255 450 D C -0.211 176.034 176.300 -0.091 0.000 1.246 450 D CA -0.535 53.498 54.000 0.053 0.000 0.795 450 D CB 2.467 43.441 40.800 0.291 0.000 1.369 450 D HN -0.918 7.480 8.370 0.048 0.000 0.425 451 Q N -0.186 119.452 119.800 -0.269 0.000 2.224 451 Q HA -0.253 nan 4.340 nan 0.000 0.203 451 Q C 1.631 177.242 176.000 -0.649 0.000 0.970 451 Q CA 2.825 58.334 55.803 -0.489 0.000 0.865 451 Q CB -0.169 28.183 28.738 -0.642 0.000 0.922 451 Q HN 0.422 8.557 8.270 -0.226 0.000 0.445 452 W N 0.209 121.245 121.300 -0.441 0.000 2.441 452 W HA -0.158 nan 4.660 nan 0.000 0.302 452 W C 2.389 178.746 176.519 -0.270 0.000 1.191 452 W CA 2.481 59.521 57.345 -0.508 0.000 1.327 452 W CB -0.190 28.549 29.460 -1.202 0.000 1.128 452 W HN -0.279 7.626 8.180 -0.641 -0.110 0.522 453 G N -2.072 106.751 108.800 0.038 0.000 2.408 453 G HA2 -0.388 nan 3.960 nan 0.000 0.217 453 G HA3 -0.388 nan 3.960 nan 0.000 0.217 453 G C 0.508 175.349 174.900 -0.098 0.000 1.150 453 G CA 1.647 46.789 45.100 0.070 0.000 0.776 453 G HN 0.296 9.011 8.290 0.063 -0.388 0.542 454 E N 2.000 122.061 120.200 -0.231 0.000 2.058 454 E HA -0.400 nan 4.350 nan 0.000 0.194 454 E C 1.656 178.054 176.600 -0.336 0.000 0.997 454 E CA 3.204 59.272 56.400 -0.554 0.000 0.801 454 E CB -0.126 29.315 29.700 -0.432 0.000 0.746 454 E HN -0.406 7.856 8.360 -0.163 0.000 0.450 455 R N -1.268 119.102 120.500 -0.218 0.000 2.081 455 R HA -0.304 nan 4.340 nan 0.000 0.235 455 R C 2.524 178.784 176.300 -0.068 0.000 1.131 455 R CA 3.138 59.156 56.100 -0.138 0.000 0.960 455 R CB -0.256 29.967 30.300 -0.128 0.000 0.856 455 R HN -0.673 7.452 8.270 -0.241 0.000 0.436 456 M N -1.157 118.426 119.600 -0.030 0.000 2.080 456 M HA -0.461 nan 4.480 nan 0.000 0.260 456 M C 2.204 178.536 176.300 0.053 0.000 1.068 456 M CA 4.001 59.323 55.300 0.036 0.000 1.109 456 M CB -0.212 32.373 32.600 -0.025 0.000 1.342 456 M HN -0.394 7.796 8.290 -0.042 0.074 0.405 457 W N -0.965 120.236 121.300 -0.164 0.000 2.379 457 W HA -0.349 nan 4.660 nan 0.000 0.307 457 W C 1.147 177.583 176.519 -0.138 0.000 1.200 457 W CA 3.406 60.711 57.345 -0.068 0.000 1.297 457 W CB 0.051 29.466 29.460 -0.074 0.000 1.140 457 W HN -0.355 7.830 8.180 0.008 0.000 0.507 458 L N -2.516 118.655 121.223 -0.086 0.000 2.042 458 L HA -0.325 nan 4.340 nan 0.000 0.210 458 L C 1.880 178.542 176.870 -0.347 0.000 1.076 458 L CA 2.002 56.696 54.840 -0.244 0.000 0.749 458 L CB -0.465 41.530 42.059 -0.106 0.000 0.893 458 L HN -0.261 7.979 8.230 0.017 0.000 0.432 459 A N -2.764 119.925 122.820 -0.217 0.000 2.021 459 A HA -0.082 nan 4.320 nan 0.000 0.216 459 A C 0.117 177.591 177.584 -0.182 0.000 1.163 459 A CA 1.551 53.492 52.037 -0.161 0.000 0.676 459 A CB 1.027 19.986 19.000 -0.068 0.000 0.818 459 A HN -0.046 8.002 8.150 -0.152 0.010 0.453 460 E N -3.826 116.254 120.200 -0.200 0.000 3.935 460 E HA 0.330 nan 4.350 nan 0.000 0.226 460 E C -2.103 174.321 176.600 -0.294 0.000 1.220 460 E CA -3.332 52.965 56.400 -0.171 0.000 1.226 460 E CB -0.030 29.665 29.700 -0.009 0.000 1.237 460 E HN -0.311 7.828 8.360 -0.203 0.099 0.417 461 P HA -0.220 nan 4.420 nan 0.000 0.218 461 P C 0.455 177.543 177.300 -0.353 0.000 1.149 461 P CA 2.372 64.902 63.100 -0.950 0.000 0.817 461 P CB -0.228 30.658 31.700 -1.356 0.000 0.785 462 E N -1.690 118.367 120.200 -0.239 0.000 2.478 462 E HA -0.179 nan 4.350 nan 0.000 0.198 462 E C 0.481 176.992 176.600 -0.149 0.000 1.046 462 E CA 1.560 57.887 56.400 -0.122 0.000 0.870 462 E CB -1.892 27.750 29.700 -0.097 0.000 0.818 462 E HN 0.510 8.681 8.360 -0.276 0.023 0.527 463 R N -2.064 118.279 120.500 -0.262 0.000 2.254 463 R HA -0.027 nan 4.340 nan 0.000 0.195 463 R C 0.379 176.272 176.300 -0.678 0.000 0.957 463 R CA 0.668 56.467 56.100 -0.501 0.000 1.024 463 R CB 1.053 30.904 30.300 -0.747 0.000 0.952 463 R HN -0.461 7.491 8.270 -0.252 0.167 0.484 464 Y N -0.771 119.573 120.300 0.073 0.000 2.748 464 Y HA 0.143 nan 4.550 nan 0.000 0.359 464 Y C -1.867 174.190 175.900 0.262 0.000 1.030 464 Y CA -1.191 57.022 58.100 0.189 0.000 1.169 464 Y CB -0.356 38.300 38.460 0.327 0.000 1.127 464 Y HN -0.671 7.435 8.280 -0.030 0.156 0.644 465 E N -0.457 119.896 120.200 0.256 0.000 2.693 465 E HA 0.079 nan 4.350 nan 0.000 0.214 465 E C -0.724 175.980 176.600 0.174 0.000 0.990 465 E CA -0.994 55.557 56.400 0.252 0.000 1.047 465 E CB 0.324 30.128 29.700 0.174 0.000 1.039 465 E HN 0.043 8.493 8.360 0.150 0.000 0.475 466 C N 2.206 121.599 119.300 0.156 0.000 2.638 466 C HA -0.054 nan 4.460 nan 0.000 0.410 466 C C 0.252 175.270 174.990 0.047 0.000 1.404 466 C CA 0.344 59.407 59.018 0.074 0.000 1.651 466 C CB -0.014 27.759 27.740 0.054 0.000 2.495 466 C HN 0.118 8.415 8.230 0.207 0.058 0.606 467 Q N 6.967 126.769 119.800 0.003 0.000 2.313 467 Q HA -0.032 nan 4.340 nan 0.000 0.266 467 Q C -1.169 174.772 176.000 -0.097 0.000 0.989 467 Q CA 0.691 56.473 55.803 -0.035 0.000 0.890 467 Q CB 0.896 29.603 28.738 -0.052 0.000 1.200 467 Q HN 0.273 8.542 8.270 -0.001 0.000 0.396 468 N N 1.562 120.195 118.700 -0.111 0.000 2.458 468 N HA 0.108 nan 4.740 nan 0.000 0.271 468 N C 1.128 176.409 175.510 -0.382 0.000 1.210 468 N CA -1.147 51.792 53.050 -0.186 0.000 0.978 468 N CB 1.323 39.761 38.487 -0.082 0.000 1.206 468 N HN 0.197 8.895 8.380 -0.073 -0.362 0.536 469 I N -0.060 120.154 120.570 -0.594 0.000 2.185 469 I HA -0.445 nan 4.170 nan 0.000 0.246 469 I C 1.299 176.787 176.117 -1.049 0.000 1.088 469 I CA 3.524 64.182 61.300 -1.070 0.000 1.347 469 I CB 0.132 37.534 38.000 -0.996 0.000 1.041 469 I HN 0.358 8.282 8.210 -0.477 0.000 0.415 470 F N -2.364 117.361 119.950 -0.375 0.000 2.259 470 F HA -0.345 nan 4.527 nan 0.000 0.298 470 F C 2.140 177.835 175.800 -0.176 0.000 1.088 470 F CA 2.676 60.544 58.000 -0.221 0.000 1.358 470 F CB -0.897 38.049 39.000 -0.090 0.000 1.040 470 F HN -0.540 7.458 8.300 -0.680 -0.106 0.505 471 E N -1.244 118.925 120.200 -0.051 0.000 2.046 471 E HA -0.300 nan 4.350 nan 0.000 0.190 471 E C 2.224 178.769 176.600 -0.092 0.000 0.982 471 E CA 2.456 58.828 56.400 -0.046 0.000 0.800 471 E CB -0.289 29.381 29.700 -0.049 0.000 0.756 471 E HN -0.146 8.370 8.360 -0.098 -0.215 0.449 472 Q N -0.542 119.124 119.800 -0.223 0.000 2.079 472 Q HA -0.183 nan 4.340 nan 0.000 0.200 472 Q C 1.976 177.957 176.000 -0.033 0.000 0.974 472 Q CA 2.331 58.024 55.803 -0.184 0.000 0.840 472 Q CB 0.319 28.860 28.738 -0.328 0.000 0.898 472 Q HN -0.138 7.934 8.270 -0.331 0.000 0.430 473 Y N -4.562 115.592 120.300 -0.243 0.000 2.490 473 Y HA 0.063 nan 4.550 nan 0.000 0.281 473 Y C -0.051 175.808 175.900 -0.069 0.000 1.174 473 Y CA -2.509 55.417 58.100 -0.290 0.000 1.295 473 Y CB -0.791 37.143 38.460 -0.877 0.000 1.062 473 Y HN -0.195 7.794 8.280 -0.485 0.000 0.522 474 E N 0.231 120.500 120.200 0.115 0.000 2.820 474 E HA -0.436 nan 4.350 nan 0.000 0.251 474 E C 1.004 177.684 176.600 0.133 0.000 0.944 474 E CA 2.338 58.821 56.400 0.139 0.000 0.955 474 E CB -0.337 29.408 29.700 0.076 0.000 0.904 474 E HN -0.794 7.413 8.360 0.040 0.177 0.513 475 G N 5.682 114.571 108.800 0.147 0.000 2.166 475 G HA2 -0.416 nan 3.960 nan 0.000 0.260 475 G HA3 -0.416 nan 3.960 nan 0.000 0.260 475 G C -0.452 174.508 174.900 0.100 0.000 0.986 475 G CA 0.668 45.827 45.100 0.098 0.000 0.683 475 G HN 0.578 8.875 8.290 0.179 0.100 0.527 476 R N -0.680 119.918 120.500 0.163 0.000 2.540 476 R HA 0.224 nan 4.340 nan 0.000 0.287 476 R C -1.580 174.803 176.300 0.139 0.000 0.980 476 R CA -2.532 53.644 56.100 0.126 0.000 0.966 476 R CB 1.138 31.503 30.300 0.108 0.000 1.106 476 R HN -0.158 8.206 8.270 0.245 0.053 0.480 477 E N 1.661 121.885 120.200 0.040 0.000 2.259 477 E HA 0.176 nan 4.350 nan 0.000 0.281 477 E C 0.722 177.304 176.600 -0.030 0.000 1.027 477 E CA -1.102 55.286 56.400 -0.021 0.000 0.838 477 E CB 1.527 31.203 29.700 -0.040 0.000 1.066 477 E HN -0.218 8.509 8.360 0.020 -0.354 0.401 478 L N 8.127 129.287 121.223 -0.106 0.000 2.021 478 L HA -0.422 nan 4.340 nan 0.000 0.215 478 L C 1.226 178.028 176.870 -0.113 0.000 1.074 478 L CA 3.578 58.354 54.840 -0.108 0.000 0.760 478 L CB -0.071 41.811 42.059 -0.295 0.000 0.889 478 L HN 0.812 8.924 8.230 -0.196 0.000 0.433 479 S N -2.468 113.167 115.700 -0.109 0.000 2.399 479 S HA -0.373 nan 4.470 nan 0.000 0.231 479 S C 1.798 176.344 174.600 -0.091 0.000 1.022 479 S CA 3.375 61.520 58.200 -0.092 0.000 0.983 479 S CB -0.330 62.833 63.200 -0.062 0.000 0.803 479 S HN -0.018 8.674 8.310 -0.107 -0.447 0.480 480 E N 0.267 120.416 120.200 -0.085 0.000 2.150 480 E HA -0.240 nan 4.350 nan 0.000 0.193 480 E C 1.812 178.333 176.600 -0.132 0.000 0.985 480 E CA 2.568 58.915 56.400 -0.088 0.000 0.814 480 E CB -0.600 29.061 29.700 -0.065 0.000 0.752 480 E HN -0.373 8.073 8.360 -0.074 -0.130 0.466 481 V N 1.202 121.011 119.914 -0.175 0.000 2.307 481 V HA -0.319 nan 4.120 nan 0.000 0.245 481 V C 2.153 178.093 176.094 -0.257 0.000 1.045 481 V CA 3.797 65.918 62.300 -0.297 0.000 1.024 481 V CB -0.705 30.790 31.823 -0.546 0.000 0.651 481 V HN -0.826 7.192 8.190 -0.142 0.087 0.449 482 I N -1.200 119.247 120.570 -0.205 0.000 2.208 482 I HA -0.612 nan 4.170 nan 0.000 0.245 482 I C 1.644 177.679 176.117 -0.136 0.000 1.097 482 I CA 4.489 65.693 61.300 -0.159 0.000 1.363 482 I CB -0.690 37.230 38.000 -0.132 0.000 1.051 482 I HN -0.346 7.750 8.210 -0.190 0.000 0.413 483 A N -1.331 121.414 122.820 -0.125 0.000 1.858 483 A HA -0.340 nan 4.320 nan 0.000 0.216 483 A C 2.389 179.862 177.584 -0.184 0.000 1.190 483 A CA 3.223 55.194 52.037 -0.111 0.000 0.617 483 A CB -1.159 17.792 19.000 -0.082 0.000 0.827 483 A HN 0.124 8.201 8.150 -0.121 0.000 0.443 484 E N -0.263 119.815 120.200 -0.205 0.000 2.153 484 E HA -0.246 nan 4.350 nan 0.000 0.194 484 E C 1.653 177.977 176.600 -0.460 0.000 0.988 484 E CA 2.334 58.572 56.400 -0.270 0.000 0.811 484 E CB 0.222 29.812 29.700 -0.183 0.000 0.746 484 E HN -0.433 7.824 8.360 -0.172 0.000 0.466 485 L N -4.186 116.829 121.223 -0.348 0.000 2.627 485 L HA 0.017 nan 4.340 nan 0.000 0.232 485 L C -1.154 175.583 176.870 -0.220 0.000 1.150 485 L CA -0.322 54.337 54.840 -0.303 0.000 0.917 485 L CB -0.044 41.925 42.059 -0.149 0.000 1.104 485 L HN -0.578 7.485 8.230 -0.259 0.012 0.445 486 H N -5.411 113.628 119.070 -0.051 0.000 2.819 486 H HA -0.270 nan 4.556 nan 0.000 0.315 486 H C 0.404 175.708 175.328 -0.040 0.000 1.242 486 H CA 0.572 56.594 56.048 -0.042 0.000 1.157 486 H CB -3.011 26.727 29.762 -0.040 0.000 1.451 486 H HN -0.470 7.358 8.280 -0.433 0.192 0.430 487 G N -3.596 105.214 108.800 0.018 0.000 3.379 487 G HA2 -0.065 nan 3.960 nan 0.000 0.253 487 G HA3 -0.065 nan 3.960 nan 0.000 0.253 487 G C -2.271 172.639 174.900 0.016 0.000 1.262 487 G CA -0.098 45.005 45.100 0.005 0.000 0.959 487 G HN 0.163 8.433 8.290 -0.034 0.000 0.524 488 L N -2.565 118.680 121.223 0.036 0.000 2.322 488 L HA 0.647 nan 4.340 nan 0.000 0.269 488 L C -0.459 176.432 176.870 0.036 0.000 1.012 488 L CA -1.440 53.421 54.840 0.034 0.000 0.815 488 L CB 2.251 44.330 42.059 0.033 0.000 1.295 488 L HN -0.762 7.397 8.230 0.059 0.107 0.438 489 R N -0.709 119.810 120.500 0.032 0.000 2.652 489 R HA 0.177 nan 4.340 nan 0.000 0.271 489 R C 1.959 178.272 176.300 0.023 0.000 1.129 489 R CA -0.184 55.933 56.100 0.028 0.000 1.200 489 R CB 0.969 31.287 30.300 0.029 0.000 1.146 489 R HN 0.374 8.664 8.270 0.034 0.000 0.581 490 S N 0.373 116.083 115.700 0.016 0.000 2.440 490 S HA -0.319 nan 4.470 nan 0.000 0.238 490 S C 0.215 174.822 174.600 0.012 0.000 1.010 490 S CA 2.611 60.817 58.200 0.010 0.000 0.972 490 S CB -0.486 62.716 63.200 0.003 0.000 0.774 490 S HN 0.513 8.833 8.310 0.017 0.000 0.501 491 D N -1.443 118.967 120.400 0.016 0.000 2.371 491 D HA -0.082 nan 4.640 nan 0.000 0.221 491 D C 0.720 177.030 176.300 0.017 0.000 0.986 491 D CA -0.515 53.494 54.000 0.016 0.000 0.899 491 D CB -0.794 40.017 40.800 0.018 0.000 0.902 491 D HN -0.038 8.312 8.370 0.019 0.032 0.530 492 G N -0.229 108.584 108.800 0.020 0.000 2.168 492 G HA2 -0.420 nan 3.960 nan 0.000 0.257 492 G HA3 -0.420 nan 3.960 nan 0.000 0.257 492 G C -0.278 174.635 174.900 0.022 0.000 0.997 492 G CA 0.691 45.804 45.100 0.022 0.000 0.708 492 G HN 0.099 8.213 8.290 0.021 0.189 0.520 493 K N -4.219 116.196 120.400 0.026 0.000 2.631 493 K HA 0.154 nan 4.320 nan 0.000 0.200 493 K C -0.801 175.826 176.600 0.044 0.000 1.481 493 K CA 0.697 57.002 56.287 0.029 0.000 1.087 493 K CB 2.555 35.069 32.500 0.024 0.000 1.502 493 K HN 0.042 8.591 8.250 0.027 -0.283 0.560 494 T N 4.570 119.153 114.554 0.048 0.000 2.884 494 T HA 0.214 nan 4.350 nan 0.000 0.298 494 T C -0.534 174.206 174.700 0.068 0.000 0.998 494 T CA 1.590 63.730 62.100 0.068 0.000 1.124 494 T CB 0.132 69.036 68.868 0.059 0.000 0.931 494 T HN -0.268 8.470 8.240 0.040 -0.474 0.531 495 L N 4.463 125.745 121.223 0.098 0.000 2.439 495 L HA 0.088 nan 4.340 nan 0.000 0.269 495 L C 1.333 178.230 176.870 0.046 0.000 1.179 495 L CA 0.358 55.247 54.840 0.080 0.000 0.828 495 L CB -0.121 42.024 42.059 0.143 0.000 1.106 495 L HN 0.015 8.330 8.230 0.142 0.000 0.467 496 I N 2.024 122.606 120.570 0.019 0.000 2.202 496 I HA -0.445 nan 4.170 nan 0.000 0.242 496 I C -0.150 175.936 176.117 -0.051 0.000 1.091 496 I CA 3.357 64.656 61.300 -0.002 0.000 1.368 496 I CB 0.111 38.118 38.000 0.013 0.000 1.058 496 I HN 0.087 8.307 8.210 0.017 0.000 0.410 497 A N -3.982 118.798 122.820 -0.067 0.000 2.351 497 A HA -0.106 nan 4.320 nan 0.000 0.257 497 A C -0.867 176.681 177.584 -0.061 0.000 1.087 497 A CA -0.192 51.772 52.037 -0.121 0.000 0.798 497 A CB 0.527 19.440 19.000 -0.145 0.000 1.033 497 A HN -0.142 7.983 8.150 -0.041 0.000 0.488 498 Q N -1.789 117.829 119.800 -0.304 0.000 2.435 498 Q HA 0.403 nan 4.340 nan 0.000 0.282 498 Q C -2.436 172.866 176.000 -1.163 0.000 1.020 498 Q CA -2.504 52.811 55.803 -0.813 0.000 0.820 498 Q CB 2.185 30.545 28.738 -0.630 0.000 1.436 498 Q HN -0.381 7.715 8.270 -0.290 0.000 0.395 499 P HA 0.154 nan 4.420 nan 0.000 0.261 499 P C -2.245 174.853 177.300 -0.336 0.000 1.352 499 P CA 0.808 63.077 63.100 -1.384 0.000 0.891 499 P CB 0.370 30.934 31.700 -1.894 0.000 1.383 500 H N -5.948 112.972 119.070 -0.249 0.000 3.014 500 H HA 0.178 nan 4.556 nan 0.000 0.337 500 H C -1.554 173.754 175.328 -0.034 0.000 1.320 500 H CA -1.350 54.675 56.048 -0.037 0.000 1.128 500 H CB 1.594 31.365 29.762 0.014 0.000 1.862 500 H HN -0.712 7.029 8.280 -0.756 0.086 0.536 501 V N -6.455 113.595 119.914 0.228 0.000 3.271 501 V HA 0.281 nan 4.120 nan 0.000 0.327 501 V C -0.024 176.179 176.094 0.181 0.000 1.389 501 V CA -0.904 61.480 62.300 0.141 0.000 1.156 501 V CB -1.003 30.877 31.823 0.095 0.000 1.103 501 V HN 0.326 8.666 8.190 0.250 0.000 0.453 502 R N 1.730 122.440 120.500 0.350 0.000 2.637 502 R HA 0.019 nan 4.340 nan 0.000 0.269 502 R C 0.864 177.268 176.300 0.172 0.000 1.089 502 R CA 0.211 56.406 56.100 0.158 0.000 1.177 502 R CB 0.783 31.070 30.300 -0.021 0.000 1.091 502 R HN -0.626 7.978 8.270 0.668 0.067 0.540 503 G N -1.225 107.625 108.800 0.084 0.000 2.598 503 G HA2 -0.140 nan 3.960 nan 0.000 0.215 503 G HA3 -0.140 nan 3.960 nan 0.000 0.215 503 G C -0.961 173.991 174.900 0.088 0.000 1.131 503 G CA 0.382 45.527 45.100 0.076 0.000 0.785 503 G HN 0.408 8.726 8.290 0.046 0.000 0.539 504 D N -3.224 117.233 120.400 0.096 0.000 2.732 504 D HA 0.050 nan 4.640 nan 0.000 0.292 504 D C -1.228 175.147 176.300 0.124 0.000 1.135 504 D CA -1.476 52.576 54.000 0.086 0.000 1.071 504 D CB 0.713 41.533 40.800 0.033 0.000 1.457 504 D HN -0.752 7.617 8.370 0.079 0.049 0.547 505 K N -4.463 115.992 120.400 0.092 0.000 3.117 505 K HA -0.352 nan 4.320 nan 0.000 0.269 505 K C -1.273 175.514 176.600 0.311 0.000 1.098 505 K CA 0.541 56.893 56.287 0.107 0.000 0.785 505 K CB -1.744 30.766 32.500 0.017 0.000 1.242 505 K HN 0.245 8.531 8.250 0.061 0.000 0.491 506 L N -1.954 119.412 121.223 0.239 0.000 2.380 506 L HA 0.058 nan 4.340 nan 0.000 0.273 506 L C 0.221 177.239 176.870 0.246 0.000 1.138 506 L CA -0.959 54.026 54.840 0.242 0.000 0.832 506 L CB 0.314 42.453 42.059 0.132 0.000 1.124 506 L HN -0.388 7.928 8.230 0.157 0.008 0.454 507 W N 3.656 124.960 121.300 0.005 0.000 2.170 507 W HA 0.029 nan 4.660 nan 0.000 0.336 507 W C -0.058 176.502 176.519 0.067 0.000 1.283 507 W CA -0.070 57.318 57.345 0.070 0.000 1.224 507 W CB 0.630 30.191 29.460 0.167 0.000 1.132 507 W HN 0.700 9.639 8.180 0.542 -0.434 0.571 508 T N -2.228 112.481 114.554 0.258 0.000 2.927 508 T HA 0.607 nan 4.350 nan 0.000 0.286 508 T C 0.417 175.206 174.700 0.148 0.000 1.040 508 T CA -2.284 59.908 62.100 0.154 0.000 1.010 508 T CB 3.111 72.024 68.868 0.074 0.000 1.177 508 T HN 0.159 8.812 8.240 0.213 -0.285 0.546 509 L N 1.244 122.518 121.223 0.085 0.000 2.012 509 L HA -0.312 nan 4.340 nan 0.000 0.210 509 L C 0.895 177.790 176.870 0.043 0.000 1.073 509 L CA 3.722 58.593 54.840 0.050 0.000 0.748 509 L CB -0.147 41.924 42.059 0.020 0.000 0.891 509 L HN 0.762 9.033 8.230 0.069 0.000 0.431 510 D N -3.034 117.386 120.400 0.033 0.000 2.182 510 D HA -0.374 nan 4.640 nan 0.000 0.201 510 D C 1.792 178.106 176.300 0.024 0.000 0.986 510 D CA 3.869 57.880 54.000 0.017 0.000 0.847 510 D CB -0.306 40.496 40.800 0.004 0.000 0.942 510 D HN 0.257 8.646 8.370 0.033 0.000 0.467 511 D N -0.841 119.588 120.400 0.048 0.000 2.144 511 D HA -0.209 nan 4.640 nan 0.000 0.199 511 D C 2.478 178.859 176.300 0.136 0.000 0.984 511 D CA 3.121 57.145 54.000 0.041 0.000 0.834 511 D CB -0.200 40.605 40.800 0.007 0.000 0.955 511 D HN -0.625 7.666 8.370 0.065 0.117 0.465 512 I N -0.835 119.834 120.570 0.165 0.000 2.286 512 I HA -0.326 nan 4.170 nan 0.000 0.245 512 I C 2.276 178.398 176.117 0.010 0.000 1.104 512 I CA 1.574 62.930 61.300 0.095 0.000 1.397 512 I CB -0.593 37.411 38.000 0.007 0.000 1.072 512 I HN -0.452 7.752 8.210 0.159 0.102 0.417 513 K N 0.914 121.314 120.400 0.001 0.000 2.103 513 K HA -0.323 nan 4.320 nan 0.000 0.207 513 K C 2.488 179.077 176.600 -0.018 0.000 1.048 513 K CA 3.606 59.881 56.287 -0.021 0.000 0.930 513 K CB 0.007 32.497 32.500 -0.017 0.000 0.716 513 K HN 0.361 8.553 8.250 0.016 0.069 0.444 514 R N -1.420 119.078 120.500 -0.003 0.000 2.189 514 R HA -0.175 nan 4.340 nan 0.000 0.223 514 R C 1.396 177.695 176.300 -0.001 0.000 1.092 514 R CA 2.209 58.306 56.100 -0.005 0.000 0.989 514 R CB -1.064 29.233 30.300 -0.006 0.000 0.876 514 R HN -0.184 8.082 8.270 0.007 0.009 0.457 515 L N -3.291 117.936 121.223 0.006 0.000 2.291 515 L HA -0.160 nan 4.340 nan 0.000 0.214 515 L C 0.036 176.881 176.870 -0.043 0.000 1.120 515 L CA 0.316 55.156 54.840 -0.000 0.000 0.799 515 L CB -0.090 41.972 42.059 0.004 0.000 0.925 515 L HN -0.644 7.446 8.230 0.014 0.148 0.446 516 N N -2.194 116.472 118.700 -0.056 0.000 2.705 516 N HA -0.388 nan 4.740 nan 0.000 0.255 516 N C -0.957 174.486 175.510 -0.112 0.000 1.008 516 N CA 0.727 53.734 53.050 -0.072 0.000 0.742 516 N CB -0.935 37.522 38.487 -0.050 0.000 0.906 516 N HN -0.506 7.681 8.380 -0.045 0.166 0.541 517 C N 0.802 120.000 119.300 -0.170 0.000 2.464 517 C HA 0.134 nan 4.460 nan 0.000 0.370 517 C C -1.423 173.390 174.990 -0.295 0.000 1.267 517 C CA -0.125 58.735 59.018 -0.263 0.000 1.781 517 C CB -0.498 27.019 27.740 -0.371 0.000 2.431 517 C HN 0.265 8.396 8.230 -0.164 0.000 0.556 518 V N 8.820 128.594 119.914 -0.234 0.000 2.409 518 V HA 0.559 nan 4.120 nan 0.000 0.291 518 V C -0.239 175.783 176.094 -0.121 0.000 1.020 518 V CA -1.431 60.785 62.300 -0.141 0.000 0.848 518 V CB 1.085 32.876 31.823 -0.055 0.000 0.990 518 V HN 0.407 8.475 8.190 -0.202 0.000 0.430 519 F N 8.611 128.570 119.950 0.013 0.000 2.553 519 F HA -0.123 nan 4.527 nan 0.000 0.356 519 F C -0.918 174.910 175.800 0.046 0.000 1.142 519 F CA 1.627 59.674 58.000 0.078 0.000 1.322 519 F CB 0.801 39.917 39.000 0.193 0.000 1.126 519 F HN 0.268 8.674 8.300 0.176 0.000 0.599 520 K N 2.063 122.597 120.400 0.223 0.000 2.426 520 K HA 0.137 nan 4.320 nan 0.000 0.251 520 K C -1.671 174.946 176.600 0.028 0.000 0.941 520 K CA -1.999 54.331 56.287 0.072 0.000 0.808 520 K CB 3.146 35.622 32.500 -0.040 0.000 1.265 520 K HN 0.074 8.469 8.250 0.243 0.000 0.432 521 N N 3.000 121.716 118.700 0.027 0.000 2.401 521 N HA 0.184 nan 4.740 nan 0.000 0.255 521 N C 0.091 175.552 175.510 -0.082 0.000 1.110 521 N CA -3.077 49.981 53.050 0.014 0.000 0.949 521 N CB 0.797 39.312 38.487 0.046 0.000 1.110 521 N HN 0.231 8.632 8.380 0.035 0.000 0.490 522 P HA -0.242 nan 4.420 nan 0.000 0.221 522 P C 1.163 178.489 177.300 0.044 0.000 1.145 522 P CA 1.897 64.853 63.100 -0.241 0.000 0.795 522 P CB 0.154 31.501 31.700 -0.589 0.000 0.775 523 V N -0.411 119.606 119.914 0.172 0.000 2.809 523 V HA -0.243 nan 4.120 nan 0.000 0.256 523 V C 1.867 178.102 176.094 0.236 0.000 1.080 523 V CA 2.814 65.309 62.300 0.325 0.000 1.102 523 V CB -0.515 31.411 31.823 0.172 0.000 0.705 523 V HN -0.371 8.087 8.190 0.099 -0.209 0.475 524 K N 0.708 121.160 120.400 0.086 0.000 2.442 524 K HA -0.273 nan 4.320 nan 0.000 0.198 524 K C 0.975 177.573 176.600 -0.003 0.000 1.044 524 K CA 2.398 58.709 56.287 0.041 0.000 0.948 524 K CB -0.420 32.083 32.500 0.005 0.000 0.762 524 K HN -0.239 8.012 8.250 0.048 0.028 0.472 525 A N -2.274 120.499 122.820 -0.079 0.000 2.119 525 A HA -0.100 nan 4.320 nan 0.000 0.217 525 A C -0.089 177.330 177.584 -0.275 0.000 1.153 525 A CA 1.357 53.255 52.037 -0.232 0.000 0.692 525 A CB 0.340 19.108 19.000 -0.387 0.000 0.799 525 A HN -0.623 7.434 8.150 -0.051 0.063 0.458 526 F N 0.000 119.949 119.950 -0.002 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 526 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 526 F HN 0.000 8.219 8.300 0.139 0.164 0.574