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 1g8h_1_B DATA FIRST_RESID 2 DATA SEQUENCE PAPHGGILQD LIARDALKKN ELLSEAQSSD ILVWNLTPRQ LCDIELILNG DATA SEQUENCE GFSPLTGFLN ENDYSSVVTD SRLADGTLWT IPITLDVDEA FANQIKPDTR DATA SEQUENCE IALFQDDEIP IAILTVQDVY KPNKTIEAER VFRGDPEHPA ISYLFNVAGD DATA SEQUENCE YYVGGSLEAI QLPQHYDYPG LRKTPAQLRL EFQSRQWDRV VAFQTRNPMH DATA SEQUENCE RAHRELTVRA AREANAKVLI HPVVGLTKPG DIDHHTRVRV YQEIIKRYPN DATA SEQUENCE GIAFLSLLPL AMRMSGDREA VWHAIIRKNY GASHFIVGRD HAGPGKNSKG DATA SEQUENCE VDFYGPYDAQ ELVESYKHEL DIEVVPFRMV TYLPDEDRYA PIDQIDTTKT DATA SEQUENCE RTLNISGTEL RRRLRVGGEI PEWFSYPEVV KILRESNPPR PKQGFSIVLG DATA SEQUENCE NSLTVSREQL SIALLSTFLQ FGGGRYYKIF EHNNKTELLS LIQDFIGSGS DATA SEQUENCE GLIIPDQWED DKDSVVGKQN VYLLDTSSSA DIQLESADEP ISHIVQKVVL DATA SEQUENCE FLEDNGFFVF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.333 177.300 0.056 0.000 1.155 2 P CA 0.000 63.133 63.100 0.055 0.000 0.800 2 P CB 0.000 31.730 31.700 0.051 0.000 0.726 3 A N 2.547 125.394 122.820 0.046 0.000 2.511 3 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 3 A C -1.932 175.687 177.584 0.059 0.000 1.069 3 A CA -0.586 51.475 52.037 0.040 0.000 0.763 3 A CB -0.771 18.244 19.000 0.026 0.000 1.001 3 A HN 0.398 nan 8.150 nan 0.000 0.498 4 P HA -0.069 nan 4.420 nan 0.000 0.267 4 P C -0.294 177.079 177.300 0.122 0.000 1.200 4 P CA 0.305 63.454 63.100 0.082 0.000 0.772 4 P CB 0.202 31.928 31.700 0.042 0.000 0.855 5 H N 1.532 120.645 119.070 0.071 0.000 3.157 5 H HA 0.197 4.753 4.556 -0.000 0.000 0.299 5 H C 1.725 177.097 175.328 0.073 0.000 0.961 5 H CA 2.396 58.500 56.048 0.092 0.000 1.428 5 H CB -0.650 29.213 29.762 0.168 0.000 1.459 5 H HN 0.801 nan 8.280 nan 0.000 0.566 6 G N 2.441 111.115 108.800 -0.210 0.000 2.194 6 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 6 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 6 G C 1.278 176.136 174.900 -0.069 0.000 0.987 6 G CA 0.720 45.735 45.100 -0.141 0.000 0.635 6 G HN 1.715 nan 8.290 nan 0.000 0.520 7 G N -0.796 107.980 108.800 -0.039 0.000 2.320 7 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 7 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 7 G C 0.319 175.213 174.900 -0.011 0.000 1.033 7 G CA 0.623 45.710 45.100 -0.021 0.000 0.620 7 G HN 1.444 nan 8.290 nan 0.000 0.517 8 I N 1.297 121.860 120.570 -0.012 0.000 2.418 8 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 8 I C -0.070 176.040 176.117 -0.011 0.000 1.008 8 I CA -1.084 60.207 61.300 -0.014 0.000 1.104 8 I CB 1.859 39.846 38.000 -0.022 0.000 1.264 8 I HN 0.122 nan 8.210 nan 0.000 0.438 9 L N 7.289 128.501 121.223 -0.018 0.000 2.500 9 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 9 L C 0.598 177.445 176.870 -0.040 0.000 1.149 9 L CA 0.545 55.367 54.840 -0.031 0.000 0.897 9 L CB 0.142 42.169 42.059 -0.054 0.000 1.178 9 L HN 0.515 nan 8.230 nan 0.000 0.473 10 Q N 3.290 123.069 119.800 -0.036 0.000 2.938 10 Q HA 0.058 4.398 4.340 -0.000 0.000 0.343 10 Q C -0.505 175.458 176.000 -0.061 0.000 1.185 10 Q CA -0.047 55.730 55.803 -0.044 0.000 0.939 10 Q CB -0.427 28.288 28.738 -0.037 0.000 1.480 10 Q HN 0.595 nan 8.270 nan 0.000 0.442 11 D N 1.201 121.559 120.400 -0.070 0.000 2.441 11 D HA 0.000 4.640 4.640 -0.000 0.000 0.243 11 D C 0.888 177.150 176.300 -0.064 0.000 1.257 11 D CA 0.018 53.970 54.000 -0.080 0.000 1.027 11 D CB 0.174 40.923 40.800 -0.086 0.000 1.084 11 D HN 0.294 nan 8.370 nan 0.000 0.514 12 L N 3.415 124.600 121.223 -0.064 0.000 2.275 12 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 12 L C 2.070 178.910 176.870 -0.050 0.000 1.119 12 L CA 0.151 54.959 54.840 -0.053 0.000 0.790 12 L CB -0.181 41.846 42.059 -0.053 0.000 0.919 12 L HN 0.463 nan 8.230 nan 0.000 0.443 13 I N 0.570 121.106 120.570 -0.056 0.000 2.202 13 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 13 I C 2.838 178.928 176.117 -0.046 0.000 1.091 13 I CA 1.572 62.842 61.300 -0.051 0.000 1.368 13 I CB -1.191 36.775 38.000 -0.055 0.000 1.058 13 I HN 0.195 nan 8.210 nan 0.000 0.410 14 A N 0.798 123.588 122.820 -0.050 0.000 1.845 14 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 14 A C 2.540 180.102 177.584 -0.038 0.000 1.195 14 A CA 1.703 53.713 52.037 -0.045 0.000 0.616 14 A CB -0.781 18.189 19.000 -0.049 0.000 0.832 14 A HN 0.299 nan 8.150 nan 0.000 0.443 15 R N -0.360 120.117 120.500 -0.039 0.000 2.112 15 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 15 R C 0.534 176.818 176.300 -0.028 0.000 1.137 15 R CA 2.152 58.233 56.100 -0.033 0.000 0.944 15 R CB -0.385 29.894 30.300 -0.034 0.000 0.857 15 R HN 0.439 nan 8.270 nan 0.000 0.435 16 D N -0.257 120.126 120.400 -0.029 0.000 2.328 16 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 16 D C 1.302 177.588 176.300 -0.024 0.000 1.072 16 D CA 0.613 54.598 54.000 -0.024 0.000 0.850 16 D CB 0.358 41.143 40.800 -0.024 0.000 0.922 16 D HN 0.333 nan 8.370 nan 0.000 0.516 17 A N 0.935 123.739 122.820 -0.027 0.000 1.894 17 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 17 A C 1.783 179.354 177.584 -0.021 0.000 1.237 17 A CA 1.290 53.312 52.037 -0.026 0.000 0.660 17 A CB -0.733 18.251 19.000 -0.026 0.000 0.835 17 A HN 0.254 nan 8.150 nan 0.000 0.461 18 L N -0.604 120.608 121.223 -0.018 0.000 2.633 18 L HA -0.030 4.310 4.340 -0.000 0.000 0.235 18 L C 1.751 178.613 176.870 -0.012 0.000 1.163 18 L CA 1.639 56.471 54.840 -0.015 0.000 0.859 18 L CB -0.628 41.423 42.059 -0.013 0.000 0.973 18 L HN 0.427 nan 8.230 nan 0.000 0.451 19 K N -1.422 118.970 120.400 -0.014 0.000 2.358 19 K HA 0.000 4.320 4.320 -0.000 0.000 0.200 19 K C 1.661 178.253 176.600 -0.013 0.000 1.030 19 K CA -0.209 56.072 56.287 -0.010 0.000 1.097 19 K CB 0.628 33.123 32.500 -0.009 0.000 0.862 19 K HN -0.077 nan 8.250 nan 0.000 0.534 20 K N 2.378 122.768 120.400 -0.017 0.000 2.000 20 K HA -0.195 4.125 4.320 -0.000 0.000 0.218 20 K C 1.256 177.844 176.600 -0.019 0.000 1.053 20 K CA 2.105 58.379 56.287 -0.022 0.000 0.946 20 K CB -0.317 32.168 32.500 -0.025 0.000 0.723 20 K HN 0.167 nan 8.250 nan 0.000 0.446 21 N N -0.418 118.273 118.700 -0.014 0.000 2.069 21 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 21 N C 1.608 177.116 175.510 -0.004 0.000 1.031 21 N CA 1.541 54.586 53.050 -0.009 0.000 0.852 21 N CB -0.146 38.337 38.487 -0.007 0.000 1.018 21 N HN 0.291 nan 8.380 nan 0.000 0.423 22 E N 1.177 121.376 120.200 -0.002 0.000 2.017 22 E HA -0.123 4.226 4.350 -0.000 0.000 0.193 22 E C 2.070 178.674 176.600 0.006 0.000 0.997 22 E CA 0.818 57.221 56.400 0.003 0.000 0.804 22 E CB -0.420 29.282 29.700 0.003 0.000 0.757 22 E HN 0.301 nan 8.360 nan 0.000 0.448 23 L N 0.287 121.510 121.223 0.001 0.000 2.042 23 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 23 L C 2.522 179.392 176.870 -0.001 0.000 1.076 23 L CA 0.948 55.790 54.840 0.003 0.000 0.749 23 L CB -0.447 41.608 42.059 -0.006 0.000 0.893 23 L HN 0.181 nan 8.230 nan 0.000 0.432 24 L N -0.893 120.322 121.223 -0.013 0.000 2.083 24 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 24 L C 2.853 179.728 176.870 0.008 0.000 1.083 24 L CA 1.427 56.254 54.840 -0.022 0.000 0.752 24 L CB -0.150 41.893 42.059 -0.027 0.000 0.899 24 L HN 0.265 nan 8.230 nan 0.000 0.433 25 S N -0.698 115.011 115.700 0.016 0.000 2.368 25 S HA -0.257 4.213 4.470 -0.000 0.000 0.224 25 S C 1.913 176.540 174.600 0.046 0.000 1.029 25 S CA 1.640 59.858 58.200 0.029 0.000 0.988 25 S CB -0.144 63.069 63.200 0.021 0.000 0.838 25 S HN 0.499 nan 8.310 nan 0.000 0.462 26 E N 0.421 120.648 120.200 0.044 0.000 2.077 26 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 26 E C 2.106 178.763 176.600 0.094 0.000 0.989 26 E CA 1.005 57.441 56.400 0.059 0.000 0.800 26 E CB -0.407 29.323 29.700 0.051 0.000 0.746 26 E HN 0.595 nan 8.360 nan 0.000 0.452 27 A N 0.613 123.489 122.820 0.094 0.000 2.024 27 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 27 A C 1.832 179.587 177.584 0.284 0.000 1.164 27 A CA 1.512 53.648 52.037 0.164 0.000 0.643 27 A CB -0.284 18.729 19.000 0.022 0.000 0.806 27 A HN 0.355 nan 8.150 nan 0.000 0.451 28 Q N 0.207 120.120 119.800 0.189 0.000 2.220 28 Q HA 0.117 4.457 4.340 -0.000 0.000 0.205 28 Q C 0.115 176.187 176.000 0.120 0.000 0.865 28 Q CA 0.167 56.090 55.803 0.201 0.000 0.960 28 Q CB 0.367 29.196 28.738 0.152 0.000 1.097 28 Q HN 0.684 nan 8.270 nan 0.000 0.493 29 S N -0.087 115.673 115.700 0.101 0.000 2.548 29 S HA 0.070 4.540 4.470 -0.000 0.000 0.277 29 S C 1.242 175.876 174.600 0.058 0.000 1.315 29 S CA -0.155 58.085 58.200 0.066 0.000 1.050 29 S CB 1.536 64.771 63.200 0.058 0.000 0.918 29 S HN 0.281 nan 8.310 nan 0.000 0.497 30 S N 1.246 116.969 115.700 0.038 0.000 2.500 30 S HA -0.136 4.334 4.470 -0.000 0.000 0.239 30 S C 0.707 175.321 174.600 0.022 0.000 0.989 30 S CA 1.182 59.396 58.200 0.023 0.000 0.951 30 S CB -0.491 62.718 63.200 0.015 0.000 0.759 30 S HN 0.796 nan 8.310 nan 0.000 0.523 31 D N 0.696 121.115 120.400 0.030 0.000 2.240 31 D HA 0.304 4.944 4.640 -0.000 0.000 0.206 31 D C 0.658 176.980 176.300 0.037 0.000 0.963 31 D CA 0.031 54.047 54.000 0.028 0.000 0.863 31 D CB 0.034 40.849 40.800 0.025 0.000 0.973 31 D HN 0.495 nan 8.370 nan 0.000 0.501 32 I N 1.137 121.740 120.570 0.055 0.000 2.754 32 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 32 I C -0.397 175.772 176.117 0.087 0.000 1.166 32 I CA -0.537 60.809 61.300 0.077 0.000 1.417 32 I CB 0.642 38.706 38.000 0.107 0.000 1.382 32 I HN -0.148 nan 8.210 nan 0.000 0.588 33 L N 7.932 129.221 121.223 0.109 0.000 2.349 33 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 33 L C -0.687 176.333 176.870 0.249 0.000 1.115 33 L CA 0.164 55.098 54.840 0.157 0.000 0.820 33 L CB 1.188 43.320 42.059 0.121 0.000 1.135 33 L HN 0.340 nan 8.230 nan 0.000 0.445 34 V N 4.957 125.015 119.914 0.240 0.000 2.628 34 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 34 V C -0.903 175.295 176.094 0.174 0.000 1.045 34 V CA -0.737 61.662 62.300 0.165 0.000 0.905 34 V CB 1.824 33.547 31.823 -0.166 0.000 0.997 34 V HN 0.841 nan 8.190 nan 0.000 0.436 35 W N 4.704 125.957 121.300 -0.079 0.000 2.619 35 W HA 0.473 5.133 4.660 -0.000 0.000 0.327 35 W C -0.992 175.440 176.519 -0.145 0.000 1.027 35 W CA -0.788 56.346 57.345 -0.353 0.000 1.233 35 W CB 1.857 30.980 29.460 -0.561 0.000 1.370 35 W HN 0.673 nan 8.180 nan 0.000 0.453 36 N N 5.179 123.316 118.700 -0.938 0.000 2.408 36 N HA 0.236 4.976 4.740 -0.000 0.000 0.257 36 N C -0.255 174.828 175.510 -0.711 0.000 1.064 36 N CA -0.106 52.590 53.050 -0.589 0.000 0.952 36 N CB 0.687 38.896 38.487 -0.464 0.000 1.093 36 N HN 0.420 nan 8.380 nan 0.000 0.490 37 L N 2.358 123.476 121.223 -0.174 0.000 2.540 37 L HA 0.060 4.400 4.340 -0.000 0.000 0.276 37 L C 1.292 178.174 176.870 0.019 0.000 1.212 37 L CA -0.160 54.722 54.840 0.070 0.000 0.893 37 L CB -0.197 41.954 42.059 0.153 0.000 1.138 37 L HN 0.611 nan 8.230 nan 0.000 0.491 38 T N 0.193 114.822 114.554 0.125 0.000 2.828 38 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 38 T C -1.744 173.033 174.700 0.129 0.000 1.019 38 T CA -1.653 60.511 62.100 0.106 0.000 1.031 38 T CB 1.300 70.280 68.868 0.188 0.000 1.001 38 T HN 0.331 nan 8.240 nan 0.000 0.531 39 P HA -0.135 nan 4.420 nan 0.000 0.214 39 P C 1.732 179.122 177.300 0.149 0.000 1.169 39 P CA 1.210 64.388 63.100 0.130 0.000 0.908 39 P CB 0.011 31.791 31.700 0.133 0.000 0.791 40 R N -0.215 120.388 120.500 0.172 0.000 2.105 40 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 40 R C 2.303 178.706 176.300 0.172 0.000 1.135 40 R CA 1.590 57.768 56.100 0.129 0.000 0.967 40 R CB -0.425 29.885 30.300 0.018 0.000 0.861 40 R HN 0.260 nan 8.270 nan 0.000 0.442 41 Q N 0.002 119.919 119.800 0.194 0.000 2.170 41 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 41 Q C 2.136 178.282 176.000 0.244 0.000 0.976 41 Q CA 1.198 57.139 55.803 0.230 0.000 0.858 41 Q CB 0.007 28.862 28.738 0.194 0.000 0.907 41 Q HN 0.397 nan 8.270 nan 0.000 0.433 42 L N -0.513 120.816 121.223 0.177 0.000 2.141 42 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 42 L C 2.311 179.258 176.870 0.129 0.000 1.094 42 L CA 0.562 55.483 54.840 0.134 0.000 0.763 42 L CB -0.245 41.865 42.059 0.086 0.000 0.908 42 L HN 0.405 nan 8.230 nan 0.000 0.437 43 C N -0.334 119.053 119.300 0.145 0.000 2.476 43 C HA -0.125 4.335 4.460 -0.000 0.000 0.278 43 C C 2.410 177.465 174.990 0.108 0.000 1.274 43 C CA 0.471 59.561 59.018 0.120 0.000 1.713 43 C CB -0.585 27.232 27.740 0.128 0.000 2.039 43 C HN 0.538 nan 8.230 nan 0.000 0.484 44 D N 0.691 121.223 120.400 0.220 0.000 2.084 44 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 44 D C 1.821 178.194 176.300 0.121 0.000 0.990 44 D CA 0.946 55.127 54.000 0.302 0.000 0.826 44 D CB -0.585 40.532 40.800 0.527 0.000 0.971 44 D HN 0.340 nan 8.370 nan 0.000 0.453 45 I N 1.195 121.886 120.570 0.201 0.000 2.335 45 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 45 I C 2.029 178.131 176.117 -0.024 0.000 1.129 45 I CA 1.480 62.842 61.300 0.104 0.000 1.402 45 I CB -0.154 37.986 38.000 0.234 0.000 1.069 45 I HN 0.015 nan 8.210 nan 0.000 0.424 46 E N -0.426 119.758 120.200 -0.025 0.000 2.152 46 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 46 E C 2.028 178.529 176.600 -0.165 0.000 0.983 46 E CA 0.680 57.043 56.400 -0.061 0.000 0.818 46 E CB -0.016 29.686 29.700 0.004 0.000 0.758 46 E HN 0.401 nan 8.360 nan 0.000 0.467 47 L N 0.847 121.869 121.223 -0.335 0.000 2.313 47 L HA 0.003 4.343 4.340 -0.000 0.000 0.214 47 L C 2.082 178.626 176.870 -0.543 0.000 1.119 47 L CA 0.901 55.365 54.840 -0.627 0.000 0.809 47 L CB -0.394 40.802 42.059 -1.438 0.000 0.933 47 L HN 0.339 nan 8.230 nan 0.000 0.449 48 I N -0.643 119.720 120.570 -0.344 0.000 2.277 48 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 48 I C 2.313 178.354 176.117 -0.127 0.000 1.094 48 I CA 0.838 62.051 61.300 -0.144 0.000 1.393 48 I CB -0.116 37.781 38.000 -0.172 0.000 1.078 48 I HN 0.134 nan 8.210 nan 0.000 0.417 49 L N 1.439 122.585 121.223 -0.128 0.000 2.201 49 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 49 L C 1.881 178.691 176.870 -0.100 0.000 1.105 49 L CA 1.131 55.913 54.840 -0.097 0.000 0.775 49 L CB -0.789 41.225 42.059 -0.075 0.000 0.913 49 L HN 0.481 nan 8.230 nan 0.000 0.440 50 N N -0.252 118.373 118.700 -0.125 0.000 2.336 50 N HA 0.051 4.791 4.740 -0.000 0.000 0.189 50 N C 1.219 176.624 175.510 -0.174 0.000 1.113 50 N CA 0.781 53.748 53.050 -0.138 0.000 0.858 50 N CB 0.563 38.967 38.487 -0.137 0.000 0.970 50 N HN 0.205 nan 8.380 nan 0.000 0.471 51 G N -1.429 107.284 108.800 -0.145 0.000 2.176 51 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.232 51 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.232 51 G C 1.038 175.867 174.900 -0.118 0.000 0.986 51 G CA 0.141 45.169 45.100 -0.120 0.000 0.643 51 G HN 0.648 nan 8.290 nan 0.000 0.522 52 G N -0.164 108.521 108.800 -0.192 0.000 2.470 52 G HA2 0.114 4.074 3.960 -0.000 0.000 0.220 52 G HA3 0.114 4.074 3.960 -0.000 0.000 0.220 52 G C 1.006 176.105 174.900 0.332 0.000 1.121 52 G CA 1.366 46.406 45.100 -0.100 0.000 0.766 52 G HN 0.442 nan 8.290 nan 0.000 0.553 53 F N 1.689 121.733 119.950 0.157 0.000 2.684 53 F HA 0.387 4.914 4.527 -0.000 0.000 0.298 53 F C 1.035 176.931 175.800 0.159 0.000 1.120 53 F CA -1.658 56.553 58.000 0.353 0.000 1.332 53 F CB -0.389 38.792 39.000 0.302 0.000 0.986 53 F HN -0.145 nan 8.300 nan 0.000 0.524 54 S N 3.618 119.491 115.700 0.289 0.000 2.558 54 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 54 S C -1.160 173.573 174.600 0.223 0.000 1.306 54 S CA -0.481 57.810 58.200 0.152 0.000 1.056 54 S CB 0.476 63.747 63.200 0.117 0.000 0.836 54 S HN 0.176 nan 8.310 nan 0.000 0.504 55 P HA 0.079 nan 4.420 nan 0.000 0.245 55 P C -0.125 177.100 177.300 -0.126 0.000 1.212 55 P CA 0.013 63.088 63.100 -0.042 0.000 0.774 55 P CB 0.039 31.704 31.700 -0.058 0.000 0.999 56 L N 1.441 122.522 121.223 -0.237 0.000 2.543 56 L HA -0.009 4.331 4.340 -0.000 0.000 0.285 56 L C 1.578 178.373 176.870 -0.126 0.000 1.236 56 L CA 1.674 56.367 54.840 -0.244 0.000 0.871 56 L CB -0.354 41.519 42.059 -0.311 0.000 1.121 56 L HN 0.077 nan 8.230 nan 0.000 0.501 57 T N -1.412 113.064 114.554 -0.130 0.000 3.399 57 T HA 0.654 5.004 4.350 -0.000 0.000 0.305 57 T C 0.186 174.815 174.700 -0.118 0.000 0.983 57 T CA 0.055 62.094 62.100 -0.102 0.000 0.967 57 T CB -0.075 68.749 68.868 -0.073 0.000 1.186 57 T HN 0.935 nan 8.240 nan 0.000 0.504 58 G N 0.709 109.402 108.800 -0.179 0.000 2.321 58 G HA2 0.452 4.412 3.960 -0.000 0.000 0.296 58 G HA3 0.452 4.412 3.960 -0.000 0.000 0.296 58 G C -1.934 172.784 174.900 -0.303 0.000 1.287 58 G CA -1.063 43.904 45.100 -0.221 0.000 0.846 58 G HN 0.150 nan 8.290 nan 0.000 0.508 59 F N 1.086 121.051 119.950 0.025 0.000 2.410 59 F HA 0.480 5.007 4.527 -0.000 0.000 0.348 59 F C 1.331 177.143 175.800 0.020 0.000 1.106 59 F CA -0.623 57.386 58.000 0.016 0.000 1.163 59 F CB 1.202 40.198 39.000 -0.006 0.000 1.129 59 F HN 0.165 nan 8.300 nan 0.000 0.516 60 L N 4.666 125.995 121.223 0.177 0.000 2.640 60 L HA -0.081 4.259 4.340 -0.000 0.000 0.280 60 L C 0.745 177.761 176.870 0.244 0.000 1.229 60 L CA 0.152 55.084 54.840 0.153 0.000 0.919 60 L CB -0.368 41.793 42.059 0.170 0.000 1.168 60 L HN 0.749 nan 8.230 nan 0.000 0.496 61 N N 2.387 121.186 118.700 0.164 0.000 2.347 61 N HA 0.001 4.741 4.740 -0.000 0.000 0.253 61 N C 0.583 176.079 175.510 -0.023 0.000 1.274 61 N CA -0.802 52.332 53.050 0.141 0.000 0.941 61 N CB 1.072 39.589 38.487 0.050 0.000 1.200 61 N HN 0.645 nan 8.380 nan 0.000 0.514 62 E N 0.157 120.040 120.200 -0.528 0.000 2.118 62 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 62 E C 1.597 178.069 176.600 -0.212 0.000 0.992 62 E CA 1.209 57.107 56.400 -0.837 0.000 0.804 62 E CB -0.122 28.915 29.700 -1.105 0.000 0.741 62 E HN 0.685 nan 8.360 nan 0.000 0.458 63 N N -0.071 118.544 118.700 -0.141 0.000 2.084 63 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 63 N C 1.478 176.967 175.510 -0.036 0.000 1.030 63 N CA 1.444 54.450 53.050 -0.073 0.000 0.849 63 N CB -0.005 38.447 38.487 -0.057 0.000 1.012 63 N HN 0.145 nan 8.380 nan 0.000 0.423 64 D N -0.413 119.982 120.400 -0.008 0.000 2.149 64 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 64 D C 1.665 177.993 176.300 0.047 0.000 0.972 64 D CA 0.549 54.550 54.000 0.002 0.000 0.835 64 D CB -0.276 40.516 40.800 -0.013 0.000 0.966 64 D HN 0.393 nan 8.370 nan 0.000 0.476 65 Y N 2.166 122.463 120.300 -0.005 0.000 2.114 65 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 65 Y C 2.451 178.376 175.900 0.041 0.000 1.143 65 Y CA 2.373 60.513 58.100 0.066 0.000 1.135 65 Y CB -0.608 37.981 38.460 0.216 0.000 0.980 65 Y HN -0.031 nan 8.280 nan 0.000 0.499 66 S N -1.522 114.014 115.700 -0.272 0.000 2.423 66 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 66 S C 2.250 176.709 174.600 -0.234 0.000 1.014 66 S CA 1.100 59.081 58.200 -0.365 0.000 0.965 66 S CB -0.953 62.160 63.200 -0.146 0.000 0.785 66 S HN 0.465 nan 8.310 nan 0.000 0.495 67 S N 0.502 116.120 115.700 -0.138 0.000 2.423 67 S HA 0.024 4.494 4.470 -0.000 0.000 0.231 67 S C 1.693 176.240 174.600 -0.088 0.000 1.014 67 S CA 0.992 59.140 58.200 -0.088 0.000 0.965 67 S CB -0.456 62.715 63.200 -0.049 0.000 0.785 67 S HN 0.443 nan 8.310 nan 0.000 0.495 68 V N 0.966 120.815 119.914 -0.109 0.000 2.488 68 V HA -0.031 4.089 4.120 -0.000 0.000 0.246 68 V C 2.355 178.352 176.094 -0.161 0.000 1.046 68 V CA 1.240 63.493 62.300 -0.077 0.000 1.053 68 V CB -0.369 31.457 31.823 0.005 0.000 0.679 68 V HN 0.361 nan 8.190 nan 0.000 0.458 69 V N 1.036 120.778 119.914 -0.286 0.000 2.261 69 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 69 V C 2.666 178.644 176.094 -0.194 0.000 1.047 69 V CA 2.706 64.823 62.300 -0.306 0.000 1.015 69 V CB -0.962 30.593 31.823 -0.446 0.000 0.642 69 V HN 0.793 nan 8.190 nan 0.000 0.446 70 T N -4.066 110.392 114.554 -0.159 0.000 3.057 70 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 70 T C 1.042 175.708 174.700 -0.057 0.000 1.094 70 T CA 0.804 62.846 62.100 -0.096 0.000 1.088 70 T CB 0.084 68.903 68.868 -0.082 0.000 0.934 70 T HN 0.396 nan 8.240 nan 0.000 0.497 71 D N 0.228 120.595 120.400 -0.054 0.000 2.520 71 D HA 0.268 4.908 4.640 -0.000 0.000 0.223 71 D C 0.454 176.756 176.300 0.003 0.000 1.186 71 D CA 0.050 54.041 54.000 -0.015 0.000 0.821 71 D CB 0.543 41.335 40.800 -0.013 0.000 1.072 71 D HN 0.217 nan 8.370 nan 0.000 0.518 72 S N 0.444 116.130 115.700 -0.023 0.000 3.445 72 S HA -0.235 4.235 4.470 -0.000 0.000 0.319 72 S C 0.285 174.872 174.600 -0.023 0.000 1.209 72 S CA 0.926 59.107 58.200 -0.032 0.000 0.934 72 S CB -0.716 62.492 63.200 0.014 0.000 0.999 72 S HN 0.383 nan 8.310 nan 0.000 0.582 73 R N -0.894 119.614 120.500 0.014 0.000 2.707 73 R HA 0.614 4.954 4.340 -0.000 0.000 0.272 73 R C -0.349 175.979 176.300 0.046 0.000 1.011 73 R CA -0.976 55.152 56.100 0.046 0.000 0.893 73 R CB 1.058 31.372 30.300 0.023 0.000 1.233 73 R HN 0.105 nan 8.270 nan 0.000 0.464 74 L N 1.030 122.286 121.223 0.054 0.000 2.475 74 L HA 0.187 4.527 4.340 -0.000 0.000 0.253 74 L C 1.700 178.561 176.870 -0.014 0.000 1.198 74 L CA 0.157 54.995 54.840 -0.004 0.000 0.814 74 L CB 0.616 42.647 42.059 -0.047 0.000 1.134 74 L HN 0.909 nan 8.230 nan 0.000 0.478 75 A N 0.921 123.724 122.820 -0.029 0.000 1.986 75 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 75 A C 1.545 179.115 177.584 -0.022 0.000 1.171 75 A CA 1.969 53.989 52.037 -0.027 0.000 0.640 75 A CB -0.691 18.290 19.000 -0.032 0.000 0.811 75 A HN 0.937 nan 8.150 nan 0.000 0.451 76 D N -2.349 118.035 120.400 -0.026 0.000 2.336 76 D HA 0.287 4.927 4.640 -0.000 0.000 0.229 76 D C 1.151 177.441 176.300 -0.016 0.000 1.061 76 D CA 1.043 55.029 54.000 -0.024 0.000 0.875 76 D CB -0.510 40.270 40.800 -0.033 0.000 0.904 76 D HN 0.804 nan 8.370 nan 0.000 0.525 77 G N -0.604 108.192 108.800 -0.006 0.000 2.217 77 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 77 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 77 G C 0.494 175.403 174.900 0.015 0.000 0.990 77 G CA 0.192 45.295 45.100 0.005 0.000 0.627 77 G HN 0.459 nan 8.290 nan 0.000 0.522 78 T N 2.269 116.831 114.554 0.013 0.000 2.871 78 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 78 T C 0.552 175.338 174.700 0.142 0.000 0.998 78 T CA 0.180 62.305 62.100 0.043 0.000 1.162 78 T CB 1.326 70.210 68.868 0.026 0.000 0.947 78 T HN 0.730 nan 8.240 nan 0.000 0.536 79 L N 5.649 126.976 121.223 0.173 0.000 2.654 79 L HA 0.210 4.550 4.340 -0.000 0.000 0.271 79 L C -0.699 176.322 176.870 0.252 0.000 1.169 79 L CA 0.318 55.220 54.840 0.103 0.000 0.947 79 L CB -0.479 41.565 42.059 -0.025 0.000 1.232 79 L HN 0.717 nan 8.230 nan 0.000 0.486 80 W N 5.920 127.159 121.300 -0.101 0.000 3.089 80 W HA 0.147 4.807 4.660 -0.000 0.000 0.333 80 W C 0.297 176.711 176.519 -0.175 0.000 1.053 80 W CA 0.078 57.354 57.345 -0.115 0.000 1.257 80 W CB 1.937 31.354 29.460 -0.072 0.000 1.281 80 W HN 0.712 nan 8.180 nan 0.000 0.427 81 T N 1.187 115.462 114.554 -0.464 0.000 3.051 81 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 81 T C 0.661 175.106 174.700 -0.426 0.000 1.085 81 T CA 0.536 62.426 62.100 -0.350 0.000 1.109 81 T CB 0.555 69.262 68.868 -0.268 0.000 0.921 81 T HN 0.131 nan 8.240 nan 0.000 0.488 82 I N 4.003 124.113 120.570 -0.766 0.000 2.339 82 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 82 I C -2.588 173.323 176.117 -0.343 0.000 0.994 82 I CA -3.534 57.327 61.300 -0.732 0.000 1.191 82 I CB 1.373 38.425 38.000 -1.581 0.000 1.343 82 I HN 0.033 nan 8.210 nan 0.000 0.458 83 P HA 0.233 nan 4.420 nan 0.000 0.276 83 P C -0.762 176.584 177.300 0.077 0.000 1.253 83 P CA -0.218 62.943 63.100 0.102 0.000 0.766 83 P CB 1.090 32.929 31.700 0.232 0.000 0.845 84 I N 4.633 125.280 120.570 0.128 0.000 2.330 84 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 84 I C 1.005 177.249 176.117 0.212 0.000 1.025 84 I CA -0.171 61.234 61.300 0.175 0.000 1.197 84 I CB 0.674 38.809 38.000 0.226 0.000 1.358 84 I HN 0.371 nan 8.210 nan 0.000 0.467 85 T N 3.470 118.062 114.554 0.063 0.000 2.901 85 T HA 0.645 4.995 4.350 -0.000 0.000 0.293 85 T C -0.652 173.818 174.700 -0.385 0.000 1.084 85 T CA -0.840 61.157 62.100 -0.172 0.000 1.008 85 T CB 2.376 70.705 68.868 -0.900 0.000 1.170 85 T HN 0.229 nan 8.240 nan 0.000 0.509 86 L N 3.265 124.110 121.223 -0.630 0.000 2.270 86 L HA 0.393 4.733 4.340 -0.000 0.000 0.286 86 L C -0.651 175.894 176.870 -0.542 0.000 1.059 86 L CA -0.444 53.860 54.840 -0.892 0.000 0.839 86 L CB 0.045 41.445 42.059 -1.099 0.000 1.221 86 L HN 0.756 nan 8.230 nan 0.000 0.431 87 D N 5.224 125.397 120.400 -0.379 0.000 2.277 87 D HA 0.402 5.042 4.640 -0.000 0.000 0.249 87 D C 0.008 176.176 176.300 -0.219 0.000 1.134 87 D CA -0.323 53.612 54.000 -0.108 0.000 0.863 87 D CB 1.800 42.645 40.800 0.075 0.000 1.143 87 D HN 0.323 nan 8.370 nan 0.000 0.458 88 V N -0.966 118.823 119.914 -0.209 0.000 3.158 88 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 88 V C -0.744 175.403 176.094 0.088 0.000 1.181 88 V CA -1.175 60.931 62.300 -0.325 0.000 1.054 88 V CB 1.804 33.228 31.823 -0.665 0.000 1.085 88 V HN 0.620 nan 8.190 nan 0.000 0.446 89 D N -0.931 119.584 120.400 0.192 0.000 2.294 89 D HA 0.252 4.892 4.640 -0.000 0.000 0.250 89 D C 0.806 177.123 176.300 0.028 0.000 1.058 89 D CA -0.218 53.909 54.000 0.212 0.000 0.950 89 D CB 1.469 42.399 40.800 0.217 0.000 1.158 89 D HN 0.836 nan 8.370 nan 0.000 0.453 90 E N 0.475 120.616 120.200 -0.098 0.000 2.114 90 E HA -0.319 4.031 4.350 -0.000 0.000 0.199 90 E C 1.875 178.324 176.600 -0.251 0.000 1.008 90 E CA 1.651 57.758 56.400 -0.488 0.000 0.810 90 E CB -0.229 29.350 29.700 -0.203 0.000 0.739 90 E HN 0.585 nan 8.360 nan 0.000 0.456 91 A N 0.430 123.219 122.820 -0.052 0.000 1.892 91 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 91 A C 2.014 179.617 177.584 0.032 0.000 1.188 91 A CA 1.629 53.668 52.037 0.004 0.000 0.631 91 A CB -0.909 18.134 19.000 0.072 0.000 0.822 91 A HN 0.504 nan 8.150 nan 0.000 0.447 92 F N 0.535 120.472 119.950 -0.021 0.000 2.163 92 F HA 0.104 4.631 4.527 -0.000 0.000 0.297 92 F C 2.576 178.321 175.800 -0.092 0.000 1.094 92 F CA 0.890 58.898 58.000 0.012 0.000 1.290 92 F CB -0.509 38.586 39.000 0.159 0.000 1.017 92 F HN 0.248 nan 8.300 nan 0.000 0.483 93 A N 0.432 123.165 122.820 -0.147 0.000 1.948 93 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 93 A C 1.959 179.359 177.584 -0.306 0.000 1.177 93 A CA 2.307 54.177 52.037 -0.278 0.000 0.636 93 A CB -1.363 17.356 19.000 -0.468 0.000 0.815 93 A HN 0.644 nan 8.150 nan 0.000 0.449 94 N N -0.660 117.866 118.700 -0.290 0.000 2.453 94 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 94 N C 1.431 176.818 175.510 -0.205 0.000 1.041 94 N CA 0.886 53.806 53.050 -0.216 0.000 0.900 94 N CB -0.090 38.294 38.487 -0.171 0.000 0.961 94 N HN 0.674 nan 8.380 nan 0.000 0.443 95 Q N 0.500 120.124 119.800 -0.294 0.000 2.360 95 Q HA 0.164 4.504 4.340 -0.000 0.000 0.202 95 Q C 0.230 176.061 176.000 -0.282 0.000 0.915 95 Q CA 0.291 55.925 55.803 -0.282 0.000 0.943 95 Q CB 0.345 28.877 28.738 -0.344 0.000 1.064 95 Q HN 0.506 nan 8.270 nan 0.000 0.511 96 I N -1.615 118.781 120.570 -0.290 0.000 2.646 96 I HA 0.569 4.739 4.170 -0.000 0.000 0.299 96 I C -0.780 175.269 176.117 -0.114 0.000 1.036 96 I CA -1.299 59.879 61.300 -0.204 0.000 1.074 96 I CB 1.981 39.839 38.000 -0.236 0.000 1.258 96 I HN -0.163 nan 8.210 nan 0.000 0.430 97 K N 3.508 123.867 120.400 -0.067 0.000 2.466 97 K HA 0.713 5.033 4.320 -0.000 0.000 0.260 97 K C -3.123 173.472 176.600 -0.010 0.000 1.011 97 K CA -1.886 54.381 56.287 -0.032 0.000 0.871 97 K CB 1.885 34.368 32.500 -0.029 0.000 1.404 97 K HN 0.310 nan 8.250 nan 0.000 0.450 98 P HA 0.059 nan 4.420 nan 0.000 0.269 98 P C -0.791 176.516 177.300 0.013 0.000 1.215 98 P CA 0.478 63.589 63.100 0.017 0.000 0.780 98 P CB 0.269 31.981 31.700 0.021 0.000 0.898 99 D N -2.603 117.809 120.400 0.020 0.000 2.603 99 D HA -0.116 4.524 4.640 -0.000 0.000 0.180 99 D C -0.282 176.030 176.300 0.020 0.000 0.972 99 D CA 1.680 55.691 54.000 0.018 0.000 1.022 99 D CB -2.040 38.767 40.800 0.012 0.000 1.079 99 D HN 0.383 nan 8.370 nan 0.000 0.455 100 T N 0.931 115.495 114.554 0.017 0.000 2.918 100 T HA 0.381 4.731 4.350 -0.000 0.000 0.302 100 T C 0.544 175.268 174.700 0.041 0.000 1.045 100 T CA -0.018 62.093 62.100 0.018 0.000 1.114 100 T CB 0.989 69.856 68.868 -0.002 0.000 0.965 100 T HN 0.053 nan 8.240 nan 0.000 0.540 101 R N 1.945 122.476 120.500 0.051 0.000 2.343 101 R HA 0.540 4.880 4.340 -0.000 0.000 0.320 101 R C -0.519 175.845 176.300 0.107 0.000 0.956 101 R CA -0.480 55.665 56.100 0.075 0.000 0.836 101 R CB 1.103 31.442 30.300 0.066 0.000 1.151 101 R HN 0.551 nan 8.270 nan 0.000 0.450 102 I N 1.802 122.458 120.570 0.144 0.000 2.493 102 I HA 0.416 4.586 4.170 -0.000 0.000 0.298 102 I C 0.097 176.353 176.117 0.231 0.000 0.998 102 I CA -0.946 60.483 61.300 0.214 0.000 1.137 102 I CB 2.063 40.233 38.000 0.283 0.000 1.310 102 I HN 0.585 nan 8.210 nan 0.000 0.445 103 A N 7.450 130.439 122.820 0.282 0.000 2.260 103 A HA 0.671 4.991 4.320 -0.000 0.000 0.308 103 A C -0.548 177.293 177.584 0.429 0.000 1.254 103 A CA -0.447 51.791 52.037 0.335 0.000 0.874 103 A CB 0.250 19.522 19.000 0.453 0.000 1.153 103 A HN 0.669 nan 8.150 nan 0.000 0.527 104 L N 3.171 124.591 121.223 0.328 0.000 2.257 104 L HA 0.485 4.825 4.340 -0.000 0.000 0.290 104 L C -0.925 176.109 176.870 0.273 0.000 1.044 104 L CA -0.225 54.819 54.840 0.340 0.000 0.810 104 L CB 0.568 42.792 42.059 0.276 0.000 1.193 104 L HN 0.606 nan 8.230 nan 0.000 0.425 105 F N 1.361 121.336 119.950 0.042 0.000 2.497 105 F HA 0.475 5.002 4.527 -0.000 0.000 0.331 105 F C 0.320 176.100 175.800 -0.033 0.000 1.060 105 F CA -0.608 57.388 58.000 -0.006 0.000 0.989 105 F CB 1.629 40.608 39.000 -0.034 0.000 1.245 105 F HN 0.378 nan 8.300 nan 0.000 0.486 106 Q N 1.137 121.019 119.800 0.138 0.000 2.330 106 Q HA 0.283 4.623 4.340 -0.000 0.000 0.269 106 Q C -1.290 174.750 176.000 0.067 0.000 1.022 106 Q CA -0.517 55.316 55.803 0.052 0.000 0.796 106 Q CB 1.126 29.855 28.738 -0.016 0.000 1.271 106 Q HN 0.723 nan 8.270 nan 0.000 0.450 107 D N 3.270 123.687 120.400 0.027 0.000 2.772 107 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 107 D C -0.868 175.451 176.300 0.032 0.000 1.143 107 D CA 1.482 55.492 54.000 0.016 0.000 0.700 107 D CB -0.851 39.967 40.800 0.030 0.000 1.076 107 D HN 0.902 nan 8.370 nan 0.000 0.430 108 D N -0.564 119.853 120.400 0.028 0.000 2.706 108 D HA -0.252 4.388 4.640 -0.000 0.000 0.230 108 D C 1.070 177.425 176.300 0.091 0.000 1.184 108 D CA 1.722 55.716 54.000 -0.011 0.000 0.628 108 D CB -0.324 40.409 40.800 -0.111 0.000 1.019 108 D HN 0.785 nan 8.370 nan 0.000 0.415 109 E N -1.086 119.293 120.200 0.298 0.000 2.586 109 E HA 0.075 4.425 4.350 -0.000 0.000 0.225 109 E C 0.213 176.975 176.600 0.270 0.000 1.064 109 E CA -0.235 56.328 56.400 0.271 0.000 1.695 109 E CB 0.524 30.296 29.700 0.119 0.000 2.917 109 E HN 0.159 nan 8.360 nan 0.000 1.096 110 I N 5.299 125.944 120.570 0.124 0.000 2.297 110 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 110 I C -2.332 173.539 176.117 -0.409 0.000 1.033 110 I CA -2.176 59.068 61.300 -0.093 0.000 1.253 110 I CB 1.286 39.242 38.000 -0.072 0.000 1.396 110 I HN -0.016 nan 8.210 nan 0.000 0.476 111 P HA 0.094 nan 4.420 nan 0.000 0.276 111 P C 0.379 177.397 177.300 -0.469 0.000 1.264 111 P CA -0.033 62.380 63.100 -1.144 0.000 0.769 111 P CB 1.497 32.594 31.700 -1.006 0.000 0.840 112 I N 2.227 122.608 120.570 -0.316 0.000 2.556 112 I HA 0.191 4.361 4.170 -0.000 0.000 0.251 112 I C 1.306 177.375 176.117 -0.080 0.000 1.105 112 I CA 0.691 61.909 61.300 -0.138 0.000 1.436 112 I CB -1.022 36.949 38.000 -0.048 0.000 1.139 112 I HN 0.362 nan 8.210 nan 0.000 0.438 113 A N 0.328 123.127 122.820 -0.035 0.000 2.564 113 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 113 A C -1.472 176.147 177.584 0.059 0.000 1.102 113 A CA -0.429 51.614 52.037 0.011 0.000 0.660 113 A CB 1.324 20.348 19.000 0.039 0.000 1.283 113 A HN -0.044 nan 8.150 nan 0.000 0.430 114 I N 1.781 122.389 120.570 0.064 0.000 2.362 114 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 114 I C -0.716 175.462 176.117 0.101 0.000 0.994 114 I CA -0.437 60.918 61.300 0.091 0.000 1.158 114 I CB 1.354 39.395 38.000 0.067 0.000 1.315 114 I HN 0.585 nan 8.210 nan 0.000 0.451 115 L N 6.970 128.275 121.223 0.136 0.000 2.272 115 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 115 L C -0.345 176.594 176.870 0.114 0.000 1.032 115 L CA 0.049 54.974 54.840 0.143 0.000 0.810 115 L CB 1.458 43.636 42.059 0.198 0.000 1.205 115 L HN 0.537 nan 8.230 nan 0.000 0.422 116 T N 4.904 119.511 114.554 0.089 0.000 2.733 116 T HA 0.310 4.660 4.350 -0.000 0.000 0.294 116 T C 0.292 175.035 174.700 0.072 0.000 0.956 116 T CA -0.313 61.829 62.100 0.069 0.000 0.987 116 T CB 1.031 69.929 68.868 0.049 0.000 0.920 116 T HN 0.423 nan 8.240 nan 0.000 0.470 117 V N 4.921 124.876 119.914 0.068 0.000 2.599 117 V HA 0.020 4.140 4.120 -0.000 0.000 0.300 117 V C 1.170 177.299 176.094 0.058 0.000 1.034 117 V CA 0.491 62.831 62.300 0.066 0.000 1.115 117 V CB 0.762 32.613 31.823 0.047 0.000 0.934 117 V HN 0.930 nan 8.190 nan 0.000 0.485 118 Q N 1.809 121.652 119.800 0.072 0.000 2.471 118 Q HA 0.180 4.520 4.340 -0.000 0.000 0.241 118 Q C -0.189 175.851 176.000 0.068 0.000 0.886 118 Q CA 0.524 56.363 55.803 0.060 0.000 0.953 118 Q CB 0.844 29.618 28.738 0.061 0.000 1.108 118 Q HN 1.043 nan 8.270 nan 0.000 0.575 119 D N -1.735 118.728 120.400 0.105 0.000 2.742 119 D HA 0.222 4.862 4.640 -0.000 0.000 0.262 119 D C -1.253 175.169 176.300 0.202 0.000 1.240 119 D CA -0.625 53.454 54.000 0.133 0.000 0.752 119 D CB 1.169 42.039 40.800 0.118 0.000 1.290 119 D HN -0.173 nan 8.370 nan 0.000 0.420 120 V N 1.316 121.351 119.914 0.201 0.000 2.482 120 V HA 0.622 4.742 4.120 -0.000 0.000 0.295 120 V C -1.031 175.222 176.094 0.264 0.000 1.026 120 V CA -0.682 61.724 62.300 0.175 0.000 0.856 120 V CB 0.619 32.480 31.823 0.064 0.000 1.001 120 V HN 0.650 nan 8.190 nan 0.000 0.424 121 Y N 1.625 121.959 120.300 0.057 0.000 2.605 121 Y HA 0.768 5.318 4.550 -0.000 0.000 0.343 121 Y C -0.357 175.487 175.900 -0.094 0.000 1.036 121 Y CA -1.556 56.551 58.100 0.011 0.000 1.065 121 Y CB 2.029 40.483 38.460 -0.010 0.000 1.288 121 Y HN 0.428 nan 8.280 nan 0.000 0.481 122 K N 4.145 124.485 120.400 -0.100 0.000 2.419 122 K HA 0.395 4.715 4.320 -0.000 0.000 0.244 122 K C -2.711 173.687 176.600 -0.337 0.000 1.045 122 K CA -2.110 53.906 56.287 -0.451 0.000 1.004 122 K CB 0.633 32.860 32.500 -0.454 0.000 1.376 122 K HN 0.573 nan 8.250 nan 0.000 0.460 123 P HA -0.042 nan 4.420 nan 0.000 0.268 123 P C -1.039 176.141 177.300 -0.200 0.000 1.208 123 P CA -0.094 62.822 63.100 -0.306 0.000 0.777 123 P CB 0.557 31.807 31.700 -0.750 0.000 0.875 124 N N 1.308 119.997 118.700 -0.019 0.000 2.602 124 N HA 0.041 4.781 4.740 -0.000 0.000 0.238 124 N C 1.078 176.593 175.510 0.009 0.000 1.084 124 N CA -0.469 52.580 53.050 -0.002 0.000 0.952 124 N CB 0.115 38.626 38.487 0.040 0.000 1.244 124 N HN 0.177 nan 8.380 nan 0.000 0.512 125 K N 0.900 121.256 120.400 -0.073 0.000 2.281 125 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 125 K C 1.152 177.742 176.600 -0.017 0.000 1.046 125 K CA 1.262 57.435 56.287 -0.190 0.000 0.938 125 K CB 0.083 32.210 32.500 -0.622 0.000 0.737 125 K HN 0.542 nan 8.250 nan 0.000 0.458 126 T N 1.507 116.186 114.554 0.209 0.000 2.857 126 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 126 T C 1.864 176.655 174.700 0.152 0.000 1.048 126 T CA 0.813 63.091 62.100 0.297 0.000 1.139 126 T CB -0.039 68.970 68.868 0.235 0.000 0.874 126 T HN 0.153 nan 8.240 nan 0.000 0.455 127 I N 0.887 121.511 120.570 0.089 0.000 2.233 127 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 127 I C 2.725 178.844 176.117 0.002 0.000 1.093 127 I CA 1.272 62.595 61.300 0.039 0.000 1.380 127 I CB -0.379 37.633 38.000 0.021 0.000 1.067 127 I HN 0.313 nan 8.210 nan 0.000 0.413 128 E N 1.521 121.734 120.200 0.022 0.000 2.085 128 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 128 E C 2.267 178.815 176.600 -0.086 0.000 0.994 128 E CA 1.497 57.880 56.400 -0.029 0.000 0.801 128 E CB -0.022 29.763 29.700 0.142 0.000 0.743 128 E HN 0.465 nan 8.360 nan 0.000 0.453 129 A N 0.939 123.808 122.820 0.080 0.000 1.883 129 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 129 A C 1.967 179.616 177.584 0.108 0.000 1.186 129 A CA 1.846 54.012 52.037 0.216 0.000 0.624 129 A CB -0.512 18.688 19.000 0.333 0.000 0.822 129 A HN 0.355 nan 8.150 nan 0.000 0.444 130 E N -0.998 119.242 120.200 0.067 0.000 2.051 130 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 130 E C 2.376 178.959 176.600 -0.028 0.000 0.979 130 E CA 0.639 57.061 56.400 0.036 0.000 0.803 130 E CB -0.128 29.601 29.700 0.048 0.000 0.761 130 E HN 0.328 nan 8.360 nan 0.000 0.451 131 R N 0.446 120.902 120.500 -0.074 0.000 2.090 131 R HA -0.032 4.308 4.340 -0.000 0.000 0.228 131 R C 2.256 178.445 176.300 -0.185 0.000 1.110 131 R CA 0.780 56.817 56.100 -0.106 0.000 0.973 131 R CB -0.334 29.899 30.300 -0.111 0.000 0.869 131 R HN 0.136 nan 8.270 nan 0.000 0.440 132 V N -0.422 119.276 119.914 -0.362 0.000 2.575 132 V HA -0.024 4.096 4.120 -0.000 0.000 0.242 132 V C 1.166 176.885 176.094 -0.624 0.000 1.045 132 V CA 1.170 63.089 62.300 -0.634 0.000 1.065 132 V CB -0.221 30.915 31.823 -1.145 0.000 0.717 132 V HN 0.046 nan 8.190 nan 0.000 0.467 133 F N -0.261 119.634 119.950 -0.090 0.000 2.661 133 F HA 0.465 4.992 4.527 -0.000 0.000 0.306 133 F C 1.280 176.985 175.800 -0.158 0.000 1.094 133 F CA -0.712 57.150 58.000 -0.230 0.000 1.254 133 F CB -0.227 38.410 39.000 -0.606 0.000 1.040 133 F HN -0.043 nan 8.300 nan 0.000 0.562 134 R N -0.559 119.966 120.500 0.040 0.000 3.919 134 R HA -0.193 4.147 4.340 -0.000 0.000 0.412 134 R C 1.550 177.897 176.300 0.078 0.000 1.102 134 R CA 0.390 56.514 56.100 0.041 0.000 1.082 134 R CB -2.110 28.182 30.300 -0.014 0.000 1.671 134 R HN 0.570 nan 8.270 nan 0.000 0.540 135 G N 0.522 109.386 108.800 0.106 0.000 2.353 135 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.258 135 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.258 135 G C 0.022 175.024 174.900 0.170 0.000 1.013 135 G CA 0.526 45.708 45.100 0.136 0.000 0.622 135 G HN 0.529 nan 8.290 nan 0.000 0.535 136 D N 2.228 122.752 120.400 0.207 0.000 2.451 136 D HA 0.182 4.822 4.640 -0.000 0.000 0.254 136 D C 0.096 176.567 176.300 0.286 0.000 1.204 136 D CA -0.859 53.290 54.000 0.250 0.000 0.896 136 D CB 1.188 42.198 40.800 0.350 0.000 1.136 136 D HN 0.268 nan 8.370 nan 0.000 0.499 137 P HA -0.152 nan 4.420 nan 0.000 0.222 137 P C 0.601 178.028 177.300 0.212 0.000 1.142 137 P CA 1.049 64.257 63.100 0.181 0.000 0.788 137 P CB 0.389 32.144 31.700 0.092 0.000 0.767 138 E N -1.927 118.440 120.200 0.278 0.000 2.447 138 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 138 E C 0.906 177.669 176.600 0.272 0.000 1.028 138 E CA -0.236 56.339 56.400 0.291 0.000 0.876 138 E CB -0.224 29.680 29.700 0.339 0.000 0.885 138 E HN 0.352 nan 8.360 nan 0.000 0.500 139 H N 1.567 120.724 119.070 0.145 0.000 3.070 139 H HA -0.017 4.539 4.556 -0.000 0.000 0.313 139 H C -1.871 173.369 175.328 -0.148 0.000 0.997 139 H CA -1.435 54.479 56.048 -0.224 0.000 1.438 139 H CB 1.147 30.858 29.762 -0.086 0.000 1.455 139 H HN -0.106 nan 8.280 nan 0.000 0.575 140 P HA -0.197 nan 4.420 nan 0.000 0.216 140 P C 1.061 178.405 177.300 0.074 0.000 1.154 140 P CA 2.505 65.600 63.100 -0.008 0.000 0.865 140 P CB 0.082 31.700 31.700 -0.136 0.000 0.789 141 A N -1.356 121.516 122.820 0.087 0.000 1.968 141 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 141 A C 2.181 179.555 177.584 -0.350 0.000 1.169 141 A CA 1.175 52.947 52.037 -0.441 0.000 0.638 141 A CB -1.401 16.733 19.000 -1.444 0.000 0.812 141 A HN 0.124 nan 8.150 nan 0.000 0.446 142 I N -1.043 119.448 120.570 -0.132 0.000 2.286 142 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 142 I C 2.781 179.047 176.117 0.250 0.000 1.104 142 I CA 1.362 62.735 61.300 0.121 0.000 1.397 142 I CB -0.207 37.931 38.000 0.230 0.000 1.072 142 I HN 0.393 nan 8.210 nan 0.000 0.417 143 S N 0.071 115.899 115.700 0.213 0.000 2.382 143 S HA -0.251 4.219 4.470 -0.000 0.000 0.228 143 S C 2.142 176.851 174.600 0.183 0.000 1.027 143 S CA 1.281 59.606 58.200 0.208 0.000 0.991 143 S CB -0.362 62.931 63.200 0.156 0.000 0.823 143 S HN 0.486 nan 8.310 nan 0.000 0.469 144 Y N 1.278 121.607 120.300 0.048 0.000 2.163 144 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 144 Y C 2.082 178.000 175.900 0.030 0.000 1.136 144 Y CA 1.687 59.804 58.100 0.030 0.000 1.147 144 Y CB -0.481 37.972 38.460 -0.012 0.000 0.987 144 Y HN 0.331 nan 8.280 nan 0.000 0.509 145 L N -0.512 120.839 121.223 0.213 0.000 2.081 145 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 145 L C 1.657 178.446 176.870 -0.135 0.000 1.080 145 L CA 1.978 56.849 54.840 0.052 0.000 0.754 145 L CB -0.840 41.195 42.059 -0.039 0.000 0.893 145 L HN 0.292 nan 8.230 nan 0.000 0.433 146 F N -1.302 118.687 119.950 0.066 0.000 2.619 146 F HA 0.093 4.620 4.527 -0.000 0.000 0.293 146 F C 1.878 177.673 175.800 -0.009 0.000 1.119 146 F CA 0.689 58.708 58.000 0.032 0.000 1.445 146 F CB -0.010 39.017 39.000 0.043 0.000 1.119 146 F HN 0.187 nan 8.300 nan 0.000 0.573 147 N N -1.409 117.360 118.700 0.115 0.000 2.227 147 N HA 0.083 4.823 4.740 -0.000 0.000 0.196 147 N C 0.911 176.361 175.510 -0.100 0.000 1.142 147 N CA 0.162 53.226 53.050 0.025 0.000 0.887 147 N CB 1.039 39.546 38.487 0.034 0.000 1.022 147 N HN -0.023 nan 8.380 nan 0.000 0.500 148 V N 0.061 119.813 119.914 -0.269 0.000 3.251 148 V HA 0.318 4.438 4.120 -0.000 0.000 0.239 148 V C 0.727 176.619 176.094 -0.337 0.000 1.332 148 V CA -0.035 62.007 62.300 -0.429 0.000 1.224 148 V CB 0.148 31.399 31.823 -0.954 0.000 1.004 148 V HN 0.151 nan 8.190 nan 0.000 0.464 149 A N 1.078 123.715 122.820 -0.305 0.000 2.483 149 A HA 0.559 4.879 4.320 -0.000 0.000 0.238 149 A C 0.875 178.486 177.584 0.044 0.000 1.070 149 A CA 0.674 52.710 52.037 -0.001 0.000 0.770 149 A CB -0.186 18.909 19.000 0.159 0.000 1.008 149 A HN 0.488 nan 8.150 nan 0.000 0.497 150 G N -0.191 108.674 108.800 0.107 0.000 2.606 150 G HA2 0.375 4.334 3.960 -0.000 0.000 0.252 150 G HA3 0.375 4.334 3.960 -0.000 0.000 0.252 150 G C -0.147 174.777 174.900 0.040 0.000 1.206 150 G CA -0.210 44.955 45.100 0.108 0.000 0.861 150 G HN 0.641 nan 8.290 nan 0.000 0.561 151 D N -1.111 119.293 120.400 0.006 0.000 2.339 151 D HA 0.120 4.760 4.640 -0.000 0.000 0.217 151 D C -0.439 175.461 176.300 -0.667 0.000 1.050 151 D CA 0.682 54.513 54.000 -0.282 0.000 0.856 151 D CB 0.189 40.835 40.800 -0.256 0.000 0.922 151 D HN 0.310 nan 8.370 nan 0.000 0.518 152 Y N -0.429 119.742 120.300 -0.216 0.000 2.425 152 Y HA 0.369 4.919 4.550 -0.000 0.000 0.344 152 Y C -0.264 175.502 175.900 -0.223 0.000 0.969 152 Y CA -1.078 56.846 58.100 -0.294 0.000 1.052 152 Y CB 1.258 39.614 38.460 -0.173 0.000 1.215 152 Y HN -0.166 nan 8.280 nan 0.000 0.451 153 Y N 1.313 121.291 120.300 -0.538 0.000 2.420 153 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 153 Y C -0.491 175.110 175.900 -0.499 0.000 1.094 153 Y CA -1.434 56.264 58.100 -0.668 0.000 1.126 153 Y CB 1.972 39.751 38.460 -1.135 0.000 1.217 153 Y HN 0.159 nan 8.280 nan 0.000 0.462 154 V N 2.717 122.548 119.914 -0.138 0.000 2.305 154 V HA 0.317 4.437 4.120 -0.000 0.000 0.275 154 V C 0.354 176.501 176.094 0.089 0.000 1.020 154 V CA -0.777 61.509 62.300 -0.023 0.000 0.811 154 V CB 0.919 32.697 31.823 -0.075 0.000 1.031 154 V HN 0.958 nan 8.190 nan 0.000 0.439 155 G N 2.640 111.584 108.800 0.240 0.000 2.483 155 G HA2 0.619 4.579 3.960 -0.000 0.000 0.248 155 G HA3 0.619 4.579 3.960 -0.000 0.000 0.248 155 G C 0.179 175.183 174.900 0.174 0.000 1.248 155 G CA 0.437 45.687 45.100 0.249 0.000 0.838 155 G HN 1.211 nan 8.290 nan 0.000 0.566 156 G N -0.564 108.335 108.800 0.166 0.000 2.355 156 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 156 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 156 G C -0.501 174.462 174.900 0.106 0.000 1.507 156 G CA 0.063 45.239 45.100 0.127 0.000 0.823 156 G HN 1.395 nan 8.290 nan 0.000 0.569 157 S N -0.094 115.646 115.700 0.066 0.000 2.616 157 S HA 0.811 5.281 4.470 -0.000 0.000 0.277 157 S C -0.269 174.356 174.600 0.041 0.000 1.234 157 S CA -0.720 57.498 58.200 0.031 0.000 1.028 157 S CB 1.621 64.829 63.200 0.012 0.000 0.988 157 S HN 0.603 nan 8.310 nan 0.000 0.522 158 L N 1.446 122.673 121.223 0.007 0.000 2.334 158 L HA 0.606 4.946 4.340 -0.000 0.000 0.270 158 L C 0.121 176.992 176.870 0.002 0.000 1.018 158 L CA -0.353 54.496 54.840 0.015 0.000 0.811 158 L CB 1.260 43.305 42.059 -0.023 0.000 1.271 158 L HN 0.900 nan 8.230 nan 0.000 0.443 159 E N 0.908 121.115 120.200 0.012 0.000 2.283 159 E HA 0.550 4.900 4.350 -0.000 0.000 0.258 159 E C -0.983 175.614 176.600 -0.005 0.000 0.893 159 E CA -0.665 55.735 56.400 0.001 0.000 0.798 159 E CB 1.918 31.624 29.700 0.009 0.000 1.242 159 E HN 0.690 nan 8.360 nan 0.000 0.414 160 A N 3.738 126.546 122.820 -0.020 0.000 2.440 160 A HA 0.266 4.586 4.320 -0.000 0.000 0.251 160 A C 0.592 178.154 177.584 -0.035 0.000 1.089 160 A CA 0.088 52.108 52.037 -0.030 0.000 0.779 160 A CB 0.141 19.117 19.000 -0.041 0.000 1.022 160 A HN 0.792 nan 8.150 nan 0.000 0.492 161 I N 0.011 120.553 120.570 -0.047 0.000 3.300 161 I HA 0.102 4.272 4.170 -0.000 0.000 0.279 161 I C 0.686 176.763 176.117 -0.067 0.000 1.172 161 I CA 0.606 61.869 61.300 -0.061 0.000 1.431 161 I CB 0.179 38.124 38.000 -0.091 0.000 1.240 161 I HN 0.906 nan 8.210 nan 0.000 0.453 162 Q N 0.367 120.124 119.800 -0.073 0.000 2.736 162 Q HA 0.391 4.731 4.340 -0.000 0.000 0.273 162 Q C -1.496 174.460 176.000 -0.073 0.000 0.948 162 Q CA -0.772 54.987 55.803 -0.073 0.000 0.854 162 Q CB 1.244 29.931 28.738 -0.084 0.000 1.569 162 Q HN 0.002 nan 8.270 nan 0.000 0.405 163 L N 1.284 122.467 121.223 -0.066 0.000 2.467 163 L HA 0.408 4.748 4.340 -0.000 0.000 0.270 163 L C -1.964 174.852 176.870 -0.090 0.000 1.205 163 L CA -1.862 52.943 54.840 -0.058 0.000 0.828 163 L CB -0.128 41.910 42.059 -0.035 0.000 1.101 163 L HN 0.501 nan 8.230 nan 0.000 0.479 164 P HA -0.052 nan 4.420 nan 0.000 0.265 164 P C -0.767 176.314 177.300 -0.365 0.000 1.187 164 P CA -0.088 62.894 63.100 -0.196 0.000 0.766 164 P CB 0.403 32.004 31.700 -0.165 0.000 0.820 165 Q N 2.462 122.026 119.800 -0.393 0.000 2.332 165 Q HA 0.144 4.484 4.340 -0.000 0.000 0.263 165 Q C -0.929 174.648 176.000 -0.705 0.000 0.979 165 Q CA 0.841 56.359 55.803 -0.476 0.000 0.885 165 Q CB 0.065 28.575 28.738 -0.380 0.000 1.218 165 Q HN 0.464 nan 8.270 nan 0.000 0.405 166 H N 2.510 121.357 119.070 -0.371 0.000 2.759 166 H HA 0.243 4.799 4.556 -0.000 0.000 0.354 166 H C -0.932 174.171 175.328 -0.374 0.000 1.074 166 H CA -0.512 55.376 56.048 -0.267 0.000 1.226 166 H CB 1.038 30.726 29.762 -0.124 0.000 1.648 166 H HN 0.715 nan 8.280 nan 0.000 0.529 167 Y N -0.031 120.324 120.300 0.092 0.000 2.449 167 Y HA 0.049 4.599 4.550 -0.000 0.000 0.254 167 Y C 0.258 176.137 175.900 -0.034 0.000 1.140 167 Y CA -0.469 57.643 58.100 0.020 0.000 1.272 167 Y CB 0.548 39.006 38.460 -0.005 0.000 1.114 167 Y HN 0.602 nan 8.280 nan 0.000 0.525 168 D N -1.790 118.642 120.400 0.053 0.000 2.185 168 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 168 D C -0.454 175.730 176.300 -0.193 0.000 1.027 168 D CA -0.984 52.885 54.000 -0.217 0.000 0.861 168 D CB 0.711 41.316 40.800 -0.325 0.000 1.202 168 D HN 0.117 nan 8.370 nan 0.000 0.453 169 Y N -1.388 118.933 120.300 0.035 0.000 3.168 169 Y HA -0.160 4.390 4.550 -0.000 0.000 0.207 169 Y C -1.706 174.180 175.900 -0.024 0.000 1.280 169 Y CA -0.040 58.053 58.100 -0.011 0.000 1.235 169 Y CB -2.514 35.915 38.460 -0.052 0.000 1.370 169 Y HN 0.447 nan 8.280 nan 0.000 0.537 170 P HA -0.177 nan 4.420 nan 0.000 0.216 170 P C 1.814 179.142 177.300 0.046 0.000 1.150 170 P CA 2.374 65.504 63.100 0.051 0.000 0.843 170 P CB 0.085 31.808 31.700 0.038 0.000 0.787 171 G N -1.291 107.541 108.800 0.053 0.000 2.464 171 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 171 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 171 G C 1.138 176.055 174.900 0.029 0.000 1.138 171 G CA 0.333 45.453 45.100 0.034 0.000 0.793 171 G HN 0.167 nan 8.290 nan 0.000 0.539 172 L N -0.115 121.128 121.223 0.033 0.000 2.375 172 L HA 0.272 4.612 4.340 -0.000 0.000 0.215 172 L C 1.597 178.468 176.870 0.002 0.000 1.108 172 L CA 0.401 55.238 54.840 -0.005 0.000 0.830 172 L CB -0.033 41.988 42.059 -0.063 0.000 0.959 172 L HN -0.016 nan 8.230 nan 0.000 0.457 173 R N 1.208 121.707 120.500 -0.002 0.000 4.154 173 R HA 0.072 4.412 4.340 -0.000 0.000 0.186 173 R C -0.261 176.055 176.300 0.025 0.000 1.750 173 R CA -0.126 55.959 56.100 -0.025 0.000 1.431 173 R CB -0.310 29.941 30.300 -0.082 0.000 1.383 173 R HN -0.035 nan 8.270 nan 0.000 0.788 174 K N 1.492 121.930 120.400 0.064 0.000 2.401 174 K HA 0.033 4.353 4.320 -0.000 0.000 0.278 174 K C 0.778 177.460 176.600 0.137 0.000 1.018 174 K CA 0.090 56.420 56.287 0.073 0.000 0.981 174 K CB 0.689 33.230 32.500 0.068 0.000 0.933 174 K HN 0.350 nan 8.250 nan 0.000 0.477 175 T N -0.542 114.047 114.554 0.058 0.000 2.874 175 T HA 0.227 4.577 4.350 -0.000 0.000 0.281 175 T C -1.763 172.888 174.700 -0.083 0.000 0.994 175 T CA -1.871 60.241 62.100 0.021 0.000 1.015 175 T CB 1.145 69.972 68.868 -0.068 0.000 1.028 175 T HN 0.127 nan 8.240 nan 0.000 0.523 176 P HA -0.119 nan 4.420 nan 0.000 0.215 176 P C 1.695 178.844 177.300 -0.251 0.000 1.157 176 P CA 1.821 64.623 63.100 -0.497 0.000 0.874 176 P CB -0.313 30.956 31.700 -0.717 0.000 0.790 177 A N -0.531 122.165 122.820 -0.207 0.000 1.877 177 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 177 A C 2.255 179.741 177.584 -0.163 0.000 1.186 177 A CA 1.822 53.766 52.037 -0.155 0.000 0.620 177 A CB -1.426 17.500 19.000 -0.123 0.000 0.822 177 A HN 0.200 nan 8.150 nan 0.000 0.443 178 Q N -0.716 118.993 119.800 -0.151 0.000 2.124 178 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 178 Q C 2.138 177.976 176.000 -0.270 0.000 0.977 178 Q CA 1.180 56.888 55.803 -0.158 0.000 0.850 178 Q CB -0.250 28.429 28.738 -0.099 0.000 0.901 178 Q HN 0.651 nan 8.270 nan 0.000 0.429 179 L N 0.371 121.400 121.223 -0.324 0.000 2.017 179 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 179 L C 2.374 178.699 176.870 -0.908 0.000 1.073 179 L CA 1.411 55.854 54.840 -0.662 0.000 0.745 179 L CB -0.174 41.560 42.059 -0.541 0.000 0.894 179 L HN 0.232 nan 8.230 nan 0.000 0.432 180 R N -0.410 119.786 120.500 -0.508 0.000 2.091 180 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 180 R C 2.230 178.381 176.300 -0.248 0.000 1.136 180 R CA 1.290 57.209 56.100 -0.303 0.000 0.959 180 R CB -0.352 29.869 30.300 -0.131 0.000 0.856 180 R HN 0.347 nan 8.270 nan 0.000 0.437 181 L N 0.616 121.693 121.223 -0.244 0.000 2.083 181 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 181 L C 2.413 179.141 176.870 -0.235 0.000 1.083 181 L CA 1.081 55.812 54.840 -0.183 0.000 0.752 181 L CB -0.383 41.586 42.059 -0.150 0.000 0.899 181 L HN 0.213 nan 8.230 nan 0.000 0.433 182 E N 0.047 120.013 120.200 -0.391 0.000 2.038 182 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 182 E C 2.165 178.518 176.600 -0.411 0.000 1.000 182 E CA 1.461 57.573 56.400 -0.479 0.000 0.803 182 E CB -0.349 28.835 29.700 -0.860 0.000 0.750 182 E HN 0.345 nan 8.360 nan 0.000 0.448 183 F N 1.738 121.427 119.950 -0.435 0.000 2.134 183 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 183 F C 2.532 178.197 175.800 -0.224 0.000 1.097 183 F CA 0.946 58.744 58.000 -0.336 0.000 1.264 183 F CB -1.148 37.804 39.000 -0.080 0.000 1.001 183 F HN 0.096 nan 8.300 nan 0.000 0.479 184 Q N 0.052 119.869 119.800 0.028 0.000 2.020 184 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 184 Q C 2.415 178.386 176.000 -0.049 0.000 0.982 184 Q CA 2.137 57.944 55.803 0.007 0.000 0.838 184 Q CB -0.621 28.111 28.738 -0.010 0.000 0.899 184 Q HN 0.480 nan 8.270 nan 0.000 0.423 185 S N 0.796 116.436 115.700 -0.100 0.000 2.441 185 S HA -0.189 4.281 4.470 -0.000 0.000 0.242 185 S C 1.672 176.199 174.600 -0.121 0.000 1.018 185 S CA 1.191 59.331 58.200 -0.101 0.000 0.988 185 S CB -0.212 62.918 63.200 -0.116 0.000 0.778 185 S HN 0.291 nan 8.310 nan 0.000 0.498 186 R N 0.349 120.721 120.500 -0.214 0.000 2.334 186 R HA 0.269 4.609 4.340 -0.000 0.000 0.216 186 R C 0.161 176.440 176.300 -0.035 0.000 0.905 186 R CA 0.255 56.184 56.100 -0.285 0.000 1.064 186 R CB -0.061 29.689 30.300 -0.915 0.000 1.046 186 R HN 0.474 nan 8.270 nan 0.000 0.508 187 Q N -0.564 119.258 119.800 0.037 0.000 2.478 187 Q HA -0.173 4.167 4.340 -0.000 0.000 0.286 187 Q C -1.412 174.776 176.000 0.313 0.000 1.299 187 Q CA 0.322 56.212 55.803 0.145 0.000 0.826 187 Q CB -1.103 27.709 28.738 0.123 0.000 1.199 187 Q HN 0.280 nan 8.270 nan 0.000 0.451 188 W N 1.406 122.705 121.300 -0.002 0.000 2.308 188 W HA 0.247 4.907 4.660 -0.000 0.000 0.311 188 W C 0.665 177.146 176.519 -0.063 0.000 1.088 188 W CA -0.541 56.763 57.345 -0.069 0.000 1.309 188 W CB 0.437 29.801 29.460 -0.160 0.000 1.229 188 W HN 0.248 nan 8.180 nan 0.000 0.427 189 D N 0.873 121.344 120.400 0.118 0.000 2.433 189 D HA 0.092 4.732 4.640 -0.000 0.000 0.211 189 D C 0.219 176.532 176.300 0.021 0.000 1.114 189 D CA 0.053 54.096 54.000 0.072 0.000 0.837 189 D CB 0.255 41.093 40.800 0.063 0.000 0.984 189 D HN 0.179 nan 8.370 nan 0.000 0.505 190 R N 0.314 120.779 120.500 -0.057 0.000 2.483 190 R HA 0.646 4.986 4.340 -0.000 0.000 0.303 190 R C -1.652 174.506 176.300 -0.237 0.000 0.987 190 R CA -0.702 55.346 56.100 -0.088 0.000 0.881 190 R CB 2.771 33.000 30.300 -0.117 0.000 1.177 190 R HN -0.120 nan 8.270 nan 0.000 0.451 191 V N 3.579 123.384 119.914 -0.181 0.000 2.567 191 V HA 0.221 4.340 4.120 -0.000 0.000 0.298 191 V C -0.679 175.357 176.094 -0.097 0.000 1.047 191 V CA -0.862 61.259 62.300 -0.298 0.000 0.880 191 V CB 2.179 33.664 31.823 -0.562 0.000 1.009 191 V HN 0.501 nan 8.190 nan 0.000 0.429 192 V N 5.605 125.454 119.914 -0.108 0.000 2.383 192 V HA 0.863 4.983 4.120 -0.000 0.000 0.275 192 V C 0.550 176.705 176.094 0.102 0.000 1.036 192 V CA 0.009 62.340 62.300 0.053 0.000 0.889 192 V CB 1.313 33.138 31.823 0.004 0.000 0.985 192 V HN 1.088 nan 8.190 nan 0.000 0.459 193 A N 6.627 129.581 122.820 0.223 0.000 2.310 193 A HA 0.725 5.045 4.320 -0.000 0.000 0.299 193 A C -0.882 176.901 177.584 0.331 0.000 1.147 193 A CA -0.449 51.756 52.037 0.281 0.000 0.818 193 A CB 0.633 19.837 19.000 0.341 0.000 1.096 193 A HN 1.077 nan 8.150 nan 0.000 0.495 194 F N 2.324 122.333 119.950 0.098 0.000 2.403 194 F HA 0.509 5.036 4.527 -0.000 0.000 0.355 194 F C 0.144 175.957 175.800 0.023 0.000 1.119 194 F CA -0.704 57.301 58.000 0.010 0.000 1.007 194 F CB 1.522 40.496 39.000 -0.043 0.000 1.194 194 F HN 0.715 nan 8.300 nan 0.000 0.443 195 Q N 4.247 123.779 119.800 -0.448 0.000 2.354 195 Q HA 0.622 4.962 4.340 -0.000 0.000 0.244 195 Q C -0.930 174.521 176.000 -0.916 0.000 0.969 195 Q CA 0.084 55.626 55.803 -0.436 0.000 0.885 195 Q CB 1.559 30.276 28.738 -0.036 0.000 1.241 195 Q HN 0.786 nan 8.270 nan 0.000 0.461 196 T N 1.425 115.620 114.554 -0.598 0.000 3.033 196 T HA 0.446 4.796 4.350 -0.000 0.000 0.362 196 T C -1.178 173.372 174.700 -0.250 0.000 1.723 196 T CA -0.317 61.495 62.100 -0.480 0.000 1.110 196 T CB 0.445 69.030 68.868 -0.471 0.000 1.515 196 T HN 0.846 nan 8.240 nan 0.000 0.484 197 R N 1.822 122.239 120.500 -0.138 0.000 2.541 197 R HA 0.432 4.772 4.340 -0.000 0.000 0.332 197 R C 0.179 176.483 176.300 0.007 0.000 0.951 197 R CA -0.570 55.503 56.100 -0.045 0.000 1.136 197 R CB 0.192 30.460 30.300 -0.052 0.000 1.449 197 R HN 0.383 nan 8.270 nan 0.000 0.531 198 N N 1.596 120.296 118.700 0.000 0.000 2.457 198 N HA 0.419 5.159 4.740 -0.000 0.000 0.290 198 N C -2.835 172.658 175.510 -0.028 0.000 1.232 198 N CA -2.248 50.795 53.050 -0.012 0.000 0.852 198 N CB 2.093 40.569 38.487 -0.017 0.000 1.313 198 N HN -0.120 nan 8.380 nan 0.000 0.522 199 P HA 0.078 nan 4.420 nan 0.000 0.275 199 P C -1.080 175.949 177.300 -0.451 0.000 1.228 199 P CA 0.225 63.153 63.100 -0.286 0.000 0.786 199 P CB 0.714 32.232 31.700 -0.304 0.000 0.927 200 M N 2.962 122.394 119.600 -0.280 0.000 2.180 200 M HA 0.224 4.704 4.480 -0.000 0.000 0.358 200 M C 0.751 176.838 176.300 -0.356 0.000 1.233 200 M CA -0.043 55.056 55.300 -0.336 0.000 1.114 200 M CB 0.346 32.933 32.600 -0.022 0.000 1.594 200 M HN 0.397 nan 8.290 nan 0.000 0.467 201 H N 1.377 120.527 119.070 0.133 0.000 2.915 201 H HA 0.436 4.992 4.556 -0.000 0.000 0.298 201 H C 0.662 175.939 175.328 -0.086 0.000 1.516 201 H CA -0.739 55.263 56.048 -0.076 0.000 1.480 201 H CB 0.782 30.226 29.762 -0.530 0.000 1.847 201 H HN 0.606 nan 8.280 nan 0.000 0.806 202 R N 0.221 120.635 120.500 -0.144 0.000 2.117 202 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 202 R C 1.946 177.836 176.300 -0.683 0.000 1.143 202 R CA 1.438 57.358 56.100 -0.300 0.000 0.968 202 R CB -0.445 29.646 30.300 -0.349 0.000 0.863 202 R HN 0.625 nan 8.270 nan 0.000 0.444 203 A N 1.054 123.288 122.820 -0.978 0.000 1.883 203 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 203 A C 1.878 179.061 177.584 -0.668 0.000 1.186 203 A CA 1.489 52.883 52.037 -1.072 0.000 0.624 203 A CB -0.812 17.768 19.000 -0.700 0.000 0.822 203 A HN 0.387 nan 8.150 nan 0.000 0.444 204 H N -1.014 117.857 119.070 -0.331 0.000 2.319 204 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 204 H C 2.294 177.360 175.328 -0.437 0.000 1.092 204 H CA 1.606 57.447 56.048 -0.345 0.000 1.302 204 H CB -0.306 29.329 29.762 -0.212 0.000 1.373 204 H HN 0.387 nan 8.280 nan 0.000 0.497 205 R N 1.492 121.864 120.500 -0.213 0.000 2.083 205 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 205 R C 1.854 177.950 176.300 -0.341 0.000 1.137 205 R CA 1.503 57.429 56.100 -0.289 0.000 0.951 205 R CB -0.068 30.099 30.300 -0.221 0.000 0.851 205 R HN 0.249 nan 8.270 nan 0.000 0.434 206 E N 0.900 120.912 120.200 -0.313 0.000 2.072 206 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 206 E C 1.959 178.397 176.600 -0.269 0.000 0.985 206 E CA 0.916 57.170 56.400 -0.244 0.000 0.801 206 E CB -0.423 29.162 29.700 -0.191 0.000 0.750 206 E HN 0.309 nan 8.360 nan 0.000 0.452 207 L N 0.615 121.601 121.223 -0.396 0.000 1.990 207 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 207 L C 2.290 178.847 176.870 -0.521 0.000 1.072 207 L CA 2.375 56.849 54.840 -0.610 0.000 0.755 207 L CB -0.818 40.834 42.059 -0.678 0.000 0.889 207 L HN 0.365 nan 8.230 nan 0.000 0.432 208 T N -3.228 111.056 114.554 -0.449 0.000 2.759 208 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 208 T C 1.752 176.398 174.700 -0.089 0.000 1.042 208 T CA 1.474 63.402 62.100 -0.286 0.000 1.140 208 T CB -1.008 67.676 68.868 -0.307 0.000 0.864 208 T HN 0.239 nan 8.240 nan 0.000 0.455 209 V N 1.631 121.485 119.914 -0.100 0.000 2.358 209 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 209 V C 2.997 179.081 176.094 -0.016 0.000 1.047 209 V CA 1.684 63.955 62.300 -0.048 0.000 1.035 209 V CB -0.687 31.065 31.823 -0.118 0.000 0.658 209 V HN 0.422 nan 8.190 nan 0.000 0.452 210 R N 0.271 120.770 120.500 -0.002 0.000 2.091 210 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 210 R C 2.448 178.852 176.300 0.173 0.000 1.136 210 R CA 1.621 57.784 56.100 0.106 0.000 0.959 210 R CB -0.648 29.776 30.300 0.207 0.000 0.856 210 R HN 0.537 nan 8.270 nan 0.000 0.437 211 A N 1.120 124.082 122.820 0.236 0.000 1.902 211 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 211 A C 2.378 179.984 177.584 0.035 0.000 1.181 211 A CA 1.708 53.882 52.037 0.227 0.000 0.623 211 A CB -0.748 18.421 19.000 0.281 0.000 0.818 211 A HN 0.416 nan 8.150 nan 0.000 0.443 212 A N -0.523 122.291 122.820 -0.010 0.000 1.908 212 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 212 A C 2.270 179.800 177.584 -0.092 0.000 1.181 212 A CA 1.852 53.837 52.037 -0.087 0.000 0.627 212 A CB -0.470 18.485 19.000 -0.076 0.000 0.818 212 A HN 0.549 nan 8.150 nan 0.000 0.445 213 R N -0.657 119.818 120.500 -0.043 0.000 2.073 213 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 213 R C 2.075 178.349 176.300 -0.043 0.000 1.120 213 R CA 1.355 57.430 56.100 -0.040 0.000 0.967 213 R CB -0.144 30.147 30.300 -0.014 0.000 0.862 213 R HN 0.508 nan 8.270 nan 0.000 0.436 214 E N 0.328 120.514 120.200 -0.023 0.000 2.031 214 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 214 E C 1.746 178.307 176.600 -0.066 0.000 0.994 214 E CA 1.569 57.949 56.400 -0.034 0.000 0.800 214 E CB -0.307 29.375 29.700 -0.029 0.000 0.752 214 E HN 0.417 nan 8.360 nan 0.000 0.447 215 A N 0.667 123.416 122.820 -0.119 0.000 2.169 215 A HA -0.050 4.270 4.320 -0.000 0.000 0.212 215 A C 0.600 178.033 177.584 -0.251 0.000 1.153 215 A CA 0.188 52.078 52.037 -0.244 0.000 0.756 215 A CB -0.216 18.443 19.000 -0.569 0.000 0.813 215 A HN 0.238 nan 8.150 nan 0.000 0.471 216 N N -1.207 117.386 118.700 -0.179 0.000 2.756 216 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 216 N C -0.208 175.168 175.510 -0.224 0.000 1.062 216 N CA 0.908 53.863 53.050 -0.158 0.000 0.696 216 N CB -1.292 37.131 38.487 -0.107 0.000 0.946 216 N HN 0.866 nan 8.380 nan 0.000 0.548 217 A N -0.063 122.587 122.820 -0.284 0.000 2.527 217 A HA 0.701 5.021 4.320 -0.000 0.000 0.293 217 A C -0.122 177.219 177.584 -0.405 0.000 1.117 217 A CA -0.737 51.086 52.037 -0.357 0.000 0.723 217 A CB 1.507 20.249 19.000 -0.430 0.000 1.313 217 A HN 0.040 nan 8.150 nan 0.000 0.411 218 K N 0.199 120.234 120.400 -0.608 0.000 2.168 218 K HA 0.465 4.785 4.320 -0.000 0.000 0.258 218 K C -0.432 175.847 176.600 -0.536 0.000 1.010 218 K CA -0.244 55.543 56.287 -0.834 0.000 0.929 218 K CB 1.209 32.542 32.500 -1.946 0.000 0.998 218 K HN 0.408 nan 8.250 nan 0.000 0.479 219 V N 2.938 122.617 119.914 -0.391 0.000 2.439 219 V HA 0.234 4.354 4.120 -0.000 0.000 0.282 219 V C -0.298 175.762 176.094 -0.056 0.000 1.039 219 V CA -0.907 61.282 62.300 -0.185 0.000 0.913 219 V CB 1.235 32.960 31.823 -0.163 0.000 0.983 219 V HN 0.482 nan 8.190 nan 0.000 0.460 220 L N 6.861 128.098 121.223 0.024 0.000 2.316 220 L HA 0.568 4.908 4.340 -0.000 0.000 0.280 220 L C -0.509 176.439 176.870 0.129 0.000 1.006 220 L CA -0.065 54.869 54.840 0.156 0.000 0.836 220 L CB 1.079 43.248 42.059 0.184 0.000 1.221 220 L HN 0.415 nan 8.230 nan 0.000 0.418 221 I N 5.126 125.740 120.570 0.073 0.000 2.322 221 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 221 I C 0.232 176.381 176.117 0.053 0.000 1.060 221 I CA 0.276 61.591 61.300 0.025 0.000 1.309 221 I CB 0.000 37.917 38.000 -0.139 0.000 1.415 221 I HN 0.709 nan 8.210 nan 0.000 0.492 222 H N 7.766 126.780 119.070 -0.092 0.000 2.328 222 H HA 0.292 4.848 4.556 -0.000 0.000 0.230 222 H C -2.292 172.863 175.328 -0.288 0.000 1.481 222 H CA -1.809 54.136 56.048 -0.171 0.000 1.306 222 H CB 0.994 30.678 29.762 -0.130 0.000 1.531 222 H HN 0.362 nan 8.280 nan 0.000 0.533 223 P HA -0.024 nan 4.420 nan 0.000 0.272 223 P C -0.019 177.067 177.300 -0.357 0.000 1.223 223 P CA -0.198 62.656 63.100 -0.410 0.000 0.784 223 P CB 2.197 33.563 31.700 -0.557 0.000 0.923 224 V N 3.375 123.115 119.914 -0.290 0.000 2.432 224 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 224 V C 1.391 177.396 176.094 -0.147 0.000 1.046 224 V CA 0.100 62.247 62.300 -0.255 0.000 0.945 224 V CB 1.004 32.699 31.823 -0.214 0.000 0.992 224 V HN 0.530 nan 8.190 nan 0.000 0.471 225 V N 1.570 121.365 119.914 -0.197 0.000 3.166 225 V HA 0.496 4.616 4.120 -0.000 0.000 0.332 225 V C 1.139 177.108 176.094 -0.209 0.000 1.434 225 V CA 0.824 62.981 62.300 -0.238 0.000 1.121 225 V CB 0.132 31.682 31.823 -0.455 0.000 1.062 225 V HN 0.718 nan 8.190 nan 0.000 0.489 226 G N 0.865 109.606 108.800 -0.098 0.000 2.564 226 G HA2 0.454 4.414 3.960 -0.000 0.000 0.212 226 G HA3 0.454 4.414 3.960 -0.000 0.000 0.212 226 G C 0.056 174.997 174.900 0.070 0.000 1.199 226 G CA 0.578 45.668 45.100 -0.018 0.000 0.832 226 G HN 0.459 nan 8.290 nan 0.000 0.565 227 L N 0.482 121.738 121.223 0.055 0.000 2.705 227 L HA 0.464 4.804 4.340 -0.000 0.000 0.260 227 L C -0.074 176.823 176.870 0.045 0.000 0.921 227 L CA -0.307 54.573 54.840 0.067 0.000 0.948 227 L CB 2.012 44.110 42.059 0.065 0.000 1.427 227 L HN 0.496 nan 8.230 nan 0.000 0.432 228 T N -0.039 114.538 114.554 0.040 0.000 2.619 228 T HA 0.417 4.767 4.350 -0.000 0.000 0.244 228 T C -0.250 174.461 174.700 0.018 0.000 0.893 228 T CA -0.696 61.418 62.100 0.025 0.000 1.093 228 T CB 0.843 69.719 68.868 0.013 0.000 1.567 228 T HN 0.536 nan 8.240 nan 0.000 0.549 229 K N 2.151 122.556 120.400 0.007 0.000 2.368 229 K HA 0.331 4.651 4.320 -0.000 0.000 0.282 229 K C -2.504 174.105 176.600 0.015 0.000 1.035 229 K CA -1.796 54.491 56.287 -0.001 0.000 0.973 229 K CB 0.112 32.606 32.500 -0.011 0.000 0.957 229 K HN 0.241 nan 8.250 nan 0.000 0.474 230 P HA -0.032 nan 4.420 nan 0.000 0.264 230 P C 0.172 177.491 177.300 0.031 0.000 1.183 230 P CA 0.918 64.039 63.100 0.035 0.000 0.763 230 P CB 0.638 32.366 31.700 0.046 0.000 0.807 231 G N 1.578 110.396 108.800 0.029 0.000 2.176 231 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 231 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 231 G C 0.184 175.098 174.900 0.024 0.000 0.979 231 G CA -0.197 44.920 45.100 0.028 0.000 0.641 231 G HN 0.484 nan 8.290 nan 0.000 0.530 232 D N 0.440 120.852 120.400 0.019 0.000 2.363 232 D HA 0.361 5.001 4.640 -0.000 0.000 0.240 232 D C 1.436 177.738 176.300 0.003 0.000 1.236 232 D CA -0.262 53.746 54.000 0.014 0.000 0.927 232 D CB 0.371 41.178 40.800 0.011 0.000 1.150 232 D HN 0.144 nan 8.370 nan 0.000 0.458 233 I N 1.982 122.550 120.570 -0.002 0.000 2.556 233 I HA -0.012 4.158 4.170 -0.000 0.000 0.284 233 I C 0.999 177.092 176.117 -0.040 0.000 1.114 233 I CA -0.346 60.943 61.300 -0.018 0.000 1.418 233 I CB -0.163 37.820 38.000 -0.029 0.000 1.394 233 I HN 0.415 nan 8.210 nan 0.000 0.552 234 D N 6.537 126.906 120.400 -0.052 0.000 2.406 234 D HA -0.135 4.505 4.640 -0.000 0.000 0.234 234 D C 1.253 177.476 176.300 -0.129 0.000 1.196 234 D CA 0.088 54.017 54.000 -0.118 0.000 0.881 234 D CB 0.570 41.332 40.800 -0.062 0.000 1.205 234 D HN 0.718 nan 8.370 nan 0.000 0.453 235 H N 0.933 119.936 119.070 -0.111 0.000 2.457 235 H HA -0.108 4.448 4.556 -0.000 0.000 0.294 235 H C 1.090 176.306 175.328 -0.187 0.000 1.064 235 H CA 1.069 57.011 56.048 -0.178 0.000 1.330 235 H CB -0.550 29.094 29.762 -0.197 0.000 1.395 235 H HN 0.561 nan 8.280 nan 0.000 0.541 236 H N 1.308 120.508 119.070 0.218 0.000 2.321 236 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 236 H C 2.270 177.648 175.328 0.083 0.000 1.087 236 H CA 2.276 58.487 56.048 0.271 0.000 1.319 236 H CB -0.244 29.620 29.762 0.169 0.000 1.379 236 H HN 0.289 nan 8.280 nan 0.000 0.501 237 T N 0.736 115.353 114.554 0.105 0.000 2.674 237 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 237 T C 1.986 176.592 174.700 -0.155 0.000 1.039 237 T CA 1.351 63.443 62.100 -0.012 0.000 1.150 237 T CB -0.138 68.715 68.868 -0.026 0.000 0.864 237 T HN 0.320 nan 8.240 nan 0.000 0.427 238 R N 0.371 120.725 120.500 -0.243 0.000 2.091 238 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 238 R C 2.536 178.324 176.300 -0.854 0.000 1.136 238 R CA 1.148 56.883 56.100 -0.608 0.000 0.959 238 R CB -0.904 29.091 30.300 -0.509 0.000 0.856 238 R HN 0.241 nan 8.270 nan 0.000 0.437 239 V N 1.110 120.774 119.914 -0.417 0.000 2.287 239 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 239 V C 2.379 178.325 176.094 -0.247 0.000 1.053 239 V CA 1.813 63.921 62.300 -0.319 0.000 1.027 239 V CB -0.522 30.977 31.823 -0.540 0.000 0.646 239 V HN 0.333 nan 8.190 nan 0.000 0.447 240 R N -0.603 119.802 120.500 -0.158 0.000 2.105 240 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 240 R C 2.234 178.449 176.300 -0.141 0.000 1.135 240 R CA 1.494 57.541 56.100 -0.089 0.000 0.967 240 R CB -0.542 29.740 30.300 -0.030 0.000 0.861 240 R HN 0.421 nan 8.270 nan 0.000 0.442 241 V N 0.150 119.911 119.914 -0.254 0.000 2.307 241 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 241 V C 1.898 177.881 176.094 -0.185 0.000 1.045 241 V CA 1.705 63.852 62.300 -0.254 0.000 1.024 241 V CB -0.593 31.008 31.823 -0.370 0.000 0.651 241 V HN 0.334 nan 8.190 nan 0.000 0.449 242 Y N 0.163 120.390 120.300 -0.122 0.000 2.114 242 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 242 Y C 2.814 178.636 175.900 -0.129 0.000 1.143 242 Y CA 1.526 59.548 58.100 -0.129 0.000 1.135 242 Y CB -0.355 38.018 38.460 -0.145 0.000 0.980 242 Y HN 0.227 nan 8.280 nan 0.000 0.499 243 Q N -0.160 119.646 119.800 0.011 0.000 2.181 243 Q HA -0.248 4.092 4.340 -0.000 0.000 0.205 243 Q C 2.003 177.976 176.000 -0.045 0.000 0.980 243 Q CA 1.687 57.465 55.803 -0.040 0.000 0.862 243 Q CB -0.075 28.629 28.738 -0.056 0.000 0.905 243 Q HN 0.364 nan 8.270 nan 0.000 0.429 244 E N 0.958 121.127 120.200 -0.052 0.000 2.051 244 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 244 E C 1.567 178.105 176.600 -0.104 0.000 0.979 244 E CA 0.751 57.110 56.400 -0.067 0.000 0.803 244 E CB -0.165 29.494 29.700 -0.068 0.000 0.761 244 E HN 0.339 nan 8.360 nan 0.000 0.451 245 I N 0.024 120.528 120.570 -0.111 0.000 2.676 245 I HA -0.130 4.040 4.170 -0.000 0.000 0.259 245 I C 1.956 178.055 176.117 -0.029 0.000 1.194 245 I CA 0.374 61.560 61.300 -0.189 0.000 1.473 245 I CB 0.046 37.959 38.000 -0.145 0.000 1.096 245 I HN 0.197 nan 8.210 nan 0.000 0.443 246 I N 1.105 121.689 120.570 0.023 0.000 2.567 246 I HA -0.298 3.872 4.170 -0.000 0.000 0.257 246 I C 2.075 178.251 176.117 0.099 0.000 1.184 246 I CA 1.687 63.008 61.300 0.036 0.000 1.451 246 I CB -0.308 37.635 38.000 -0.094 0.000 1.089 246 I HN 0.080 nan 8.210 nan 0.000 0.441 247 K N -0.013 120.398 120.400 0.018 0.000 2.439 247 K HA 0.015 4.335 4.320 -0.000 0.000 0.197 247 K C 1.327 177.931 176.600 0.007 0.000 1.041 247 K CA 0.335 56.627 56.287 0.008 0.000 0.970 247 K CB 0.021 32.505 32.500 -0.026 0.000 0.773 247 K HN 0.231 nan 8.250 nan 0.000 0.479 248 R N 0.181 120.660 120.500 -0.035 0.000 2.310 248 R HA 0.098 4.438 4.340 -0.000 0.000 0.202 248 R C -0.005 176.234 176.300 -0.102 0.000 0.933 248 R CA 0.257 56.284 56.100 -0.121 0.000 1.054 248 R CB -0.345 29.717 30.300 -0.395 0.000 0.985 248 R HN 0.150 nan 8.270 nan 0.000 0.489 249 Y N 1.974 122.229 120.300 -0.075 0.000 2.376 249 Y HA 0.299 4.849 4.550 -0.000 0.000 0.325 249 Y C -1.568 174.318 175.900 -0.023 0.000 1.199 249 Y CA -2.758 55.313 58.100 -0.049 0.000 1.206 249 Y CB 0.359 38.787 38.460 -0.053 0.000 1.229 249 Y HN -0.061 nan 8.280 nan 0.000 0.480 250 P HA -0.005 nan 4.420 nan 0.000 0.268 250 P C -1.033 176.327 177.300 0.100 0.000 1.205 250 P CA -0.212 62.939 63.100 0.085 0.000 0.771 250 P CB 0.533 32.266 31.700 0.054 0.000 0.858 251 N N 1.338 120.084 118.700 0.076 0.000 2.301 251 N HA 0.203 4.943 4.740 -0.000 0.000 0.267 251 N C 1.407 176.977 175.510 0.100 0.000 1.304 251 N CA 1.860 54.956 53.050 0.078 0.000 0.851 251 N CB -0.654 37.868 38.487 0.059 0.000 1.070 251 N HN 0.774 nan 8.380 nan 0.000 0.483 252 G N 1.684 110.561 108.800 0.129 0.000 2.225 252 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 252 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 252 G C 0.481 175.528 174.900 0.245 0.000 1.060 252 G CA 0.245 45.470 45.100 0.208 0.000 0.833 252 G HN 0.666 nan 8.290 nan 0.000 0.498 253 I N -1.080 119.584 120.570 0.157 0.000 4.323 253 I HA 0.616 4.786 4.170 -0.000 0.000 0.328 253 I C 1.120 177.212 176.117 -0.042 0.000 1.310 253 I CA 0.744 62.058 61.300 0.024 0.000 1.186 253 I CB 0.317 38.335 38.000 0.031 0.000 1.130 253 I HN 0.457 nan 8.210 nan 0.000 0.411 254 A N 0.201 123.058 122.820 0.063 0.000 2.454 254 A HA 0.630 4.950 4.320 -0.000 0.000 0.302 254 A C -1.680 176.052 177.584 0.245 0.000 1.079 254 A CA -0.367 51.661 52.037 -0.015 0.000 0.731 254 A CB 1.267 19.945 19.000 -0.535 0.000 1.299 254 A HN 0.175 nan 8.150 nan 0.000 0.413 255 F N 1.192 121.227 119.950 0.141 0.000 2.565 255 F HA 0.679 5.206 4.527 -0.000 0.000 0.313 255 F C -1.259 174.559 175.800 0.031 0.000 1.091 255 F CA -0.977 57.106 58.000 0.138 0.000 0.915 255 F CB 1.865 41.039 39.000 0.290 0.000 1.208 255 F HN 0.562 nan 8.300 nan 0.000 0.453 256 L N 4.521 125.470 121.223 -0.458 0.000 2.329 256 L HA 0.742 5.081 4.340 -0.000 0.000 0.279 256 L C -1.044 175.727 176.870 -0.165 0.000 1.014 256 L CA -0.027 54.672 54.840 -0.236 0.000 0.814 256 L CB 1.578 43.472 42.059 -0.276 0.000 1.257 256 L HN 0.546 nan 8.230 nan 0.000 0.424 257 S N 4.653 120.401 115.700 0.080 0.000 2.572 257 S HA 0.645 5.115 4.470 -0.000 0.000 0.274 257 S C -1.206 173.448 174.600 0.089 0.000 1.150 257 S CA -0.685 57.609 58.200 0.156 0.000 0.944 257 S CB 0.788 64.165 63.200 0.294 0.000 1.071 257 S HN 0.604 nan 8.310 nan 0.000 0.479 258 L N 4.118 125.321 121.223 -0.032 0.000 2.305 258 L HA 0.538 4.878 4.340 -0.000 0.000 0.281 258 L C -0.511 176.229 176.870 -0.217 0.000 1.085 258 L CA -0.821 53.925 54.840 -0.157 0.000 0.813 258 L CB 1.016 42.953 42.059 -0.203 0.000 1.157 258 L HN 0.496 nan 8.230 nan 0.000 0.436 259 L N 7.338 128.316 121.223 -0.408 0.000 2.276 259 L HA 0.442 4.782 4.340 -0.000 0.000 0.286 259 L C -1.998 174.654 176.870 -0.363 0.000 1.024 259 L CA -1.578 52.938 54.840 -0.539 0.000 0.826 259 L CB 1.137 42.578 42.059 -1.030 0.000 1.211 259 L HN 0.268 nan 8.230 nan 0.000 0.422 260 P HA 0.035 nan 4.420 nan 0.000 0.237 260 P C -0.328 176.895 177.300 -0.128 0.000 1.723 260 P CA -0.194 62.792 63.100 -0.190 0.000 0.882 260 P CB 0.011 31.625 31.700 -0.143 0.000 1.810 261 L N 0.619 121.736 121.223 -0.176 0.000 2.395 261 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 261 L C -0.022 176.848 176.870 0.000 0.000 1.133 261 L CA -0.451 54.325 54.840 -0.106 0.000 0.812 261 L CB 0.970 42.880 42.059 -0.248 0.000 1.125 261 L HN 0.040 nan 8.230 nan 0.000 0.452 262 A N 6.470 129.374 122.820 0.139 0.000 2.412 262 A HA 0.521 4.841 4.320 -0.000 0.000 0.334 262 A C -0.003 177.736 177.584 0.259 0.000 1.419 262 A CA -0.649 51.483 52.037 0.158 0.000 0.930 262 A CB -0.248 18.849 19.000 0.162 0.000 1.149 262 A HN 0.825 nan 8.150 nan 0.000 0.515 263 M N 0.732 120.444 119.600 0.186 0.000 2.219 263 M HA 0.190 4.670 4.480 -0.000 0.000 0.307 263 M C 1.129 177.550 176.300 0.202 0.000 1.116 263 M CA 0.382 55.849 55.300 0.279 0.000 1.181 263 M CB 0.436 33.141 32.600 0.175 0.000 1.410 263 M HN 0.645 nan 8.290 nan 0.000 0.454 264 R N 0.423 121.060 120.500 0.229 0.000 2.509 264 R HA 0.301 4.641 4.340 -0.000 0.000 0.297 264 R C -0.539 175.810 176.300 0.082 0.000 0.951 264 R CA 0.128 56.263 56.100 0.057 0.000 1.103 264 R CB 0.438 30.765 30.300 0.046 0.000 1.283 264 R HN 0.684 nan 8.270 nan 0.000 0.534 265 M N -0.004 119.655 119.600 0.098 0.000 2.302 265 M HA -0.201 4.279 4.480 -0.000 0.000 0.200 265 M C 0.221 176.588 176.300 0.112 0.000 0.366 265 M CA 0.677 55.989 55.300 0.019 0.000 0.440 265 M CB -2.843 29.679 32.600 -0.130 0.000 1.475 265 M HN 0.033 nan 8.290 nan 0.000 0.905 266 S N -0.270 115.543 115.700 0.188 0.000 2.582 266 S HA 0.451 4.921 4.470 -0.000 0.000 0.249 266 S C 1.625 176.145 174.600 -0.134 0.000 1.072 266 S CA 0.766 59.159 58.200 0.321 0.000 1.115 266 S CB -0.367 63.068 63.200 0.392 0.000 0.790 266 S HN 0.985 nan 8.310 nan 0.000 0.459 267 G N 3.098 111.526 108.800 -0.620 0.000 2.685 267 G HA2 -0.487 3.473 3.960 -0.000 0.000 0.357 267 G HA3 -0.487 3.473 3.960 -0.000 0.000 0.357 267 G C 0.727 175.367 174.900 -0.434 0.000 1.272 267 G CA 1.154 45.654 45.100 -1.000 0.000 0.972 267 G HN 0.670 nan 8.290 nan 0.000 0.550 268 D N 0.307 120.499 120.400 -0.347 0.000 2.116 268 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 268 D C 2.286 178.574 176.300 -0.020 0.000 0.998 268 D CA 2.041 56.000 54.000 -0.068 0.000 0.836 268 D CB -0.663 40.173 40.800 0.061 0.000 0.951 268 D HN 0.625 nan 8.370 nan 0.000 0.449 269 R N 0.172 120.680 120.500 0.012 0.000 2.081 269 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 269 R C 2.477 178.757 176.300 -0.033 0.000 1.131 269 R CA 1.521 57.622 56.100 0.001 0.000 0.960 269 R CB -0.369 29.925 30.300 -0.009 0.000 0.856 269 R HN 0.422 nan 8.270 nan 0.000 0.436 270 E N 0.556 120.740 120.200 -0.027 0.000 2.110 270 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 270 E C 1.876 178.344 176.600 -0.221 0.000 0.988 270 E CA 1.189 57.585 56.400 -0.006 0.000 0.804 270 E CB -0.022 29.658 29.700 -0.032 0.000 0.745 270 E HN 0.350 nan 8.360 nan 0.000 0.458 271 A N 0.320 123.025 122.820 -0.191 0.000 1.883 271 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 271 A C 2.420 179.954 177.584 -0.084 0.000 1.186 271 A CA 1.694 53.599 52.037 -0.221 0.000 0.624 271 A CB -0.827 18.016 19.000 -0.262 0.000 0.822 271 A HN 0.229 nan 8.150 nan 0.000 0.444 272 V N -1.967 117.920 119.914 -0.045 0.000 2.287 272 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 272 V C 2.219 178.239 176.094 -0.124 0.000 1.053 272 V CA 2.016 64.288 62.300 -0.046 0.000 1.027 272 V CB -1.054 30.754 31.823 -0.025 0.000 0.646 272 V HN 0.873 nan 8.190 nan 0.000 0.447 273 W N 0.911 121.988 121.300 -0.373 0.000 2.335 273 W HA -0.190 4.470 4.660 -0.000 0.000 0.311 273 W C 2.548 178.883 176.519 -0.306 0.000 1.213 273 W CA 2.022 59.069 57.345 -0.497 0.000 1.274 273 W CB -0.876 28.296 29.460 -0.479 0.000 1.148 273 W HN 0.407 nan 8.180 nan 0.000 0.498 274 H N -0.871 118.001 119.070 -0.330 0.000 2.352 274 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 274 H C 2.288 177.090 175.328 -0.878 0.000 1.097 274 H CA 1.265 56.980 56.048 -0.555 0.000 1.311 274 H CB -0.393 29.257 29.762 -0.187 0.000 1.377 274 H HN 0.217 nan 8.280 nan 0.000 0.504 275 A N 1.131 123.521 122.820 -0.715 0.000 1.902 275 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 275 A C 2.422 179.759 177.584 -0.411 0.000 1.181 275 A CA 1.295 52.886 52.037 -0.744 0.000 0.623 275 A CB -0.672 18.176 19.000 -0.253 0.000 0.818 275 A HN 0.305 nan 8.150 nan 0.000 0.443 276 I N -0.412 119.946 120.570 -0.352 0.000 2.226 276 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 276 I C 2.307 178.325 176.117 -0.164 0.000 1.100 276 I CA 1.391 62.496 61.300 -0.324 0.000 1.374 276 I CB -0.348 37.336 38.000 -0.526 0.000 1.057 276 I HN 0.318 nan 8.210 nan 0.000 0.413 277 I N 0.184 120.626 120.570 -0.213 0.000 2.202 277 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 277 I C 2.637 178.809 176.117 0.092 0.000 1.091 277 I CA 1.201 62.487 61.300 -0.023 0.000 1.368 277 I CB -0.302 37.589 38.000 -0.182 0.000 1.058 277 I HN 0.097 nan 8.210 nan 0.000 0.410 278 R N 0.887 121.314 120.500 -0.122 0.000 2.120 278 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 278 R C 2.130 178.480 176.300 0.084 0.000 1.123 278 R CA 1.125 57.218 56.100 -0.012 0.000 0.975 278 R CB -0.453 29.740 30.300 -0.178 0.000 0.866 278 R HN 0.296 nan 8.270 nan 0.000 0.446 279 K N 0.237 120.649 120.400 0.021 0.000 2.025 279 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 279 K C 1.401 178.066 176.600 0.108 0.000 1.049 279 K CA 1.527 57.856 56.287 0.069 0.000 0.933 279 K CB -0.040 32.490 32.500 0.051 0.000 0.714 279 K HN 0.079 nan 8.250 nan 0.000 0.438 280 N N 0.191 118.960 118.700 0.115 0.000 2.149 280 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 280 N C 1.294 176.804 175.510 -0.001 0.000 1.019 280 N CA 1.247 54.338 53.050 0.068 0.000 0.857 280 N CB -0.335 38.193 38.487 0.068 0.000 0.997 280 N HN 0.308 nan 8.380 nan 0.000 0.426 281 Y N -0.244 120.068 120.300 0.020 0.000 2.578 281 Y HA 0.132 4.682 4.550 -0.000 0.000 0.297 281 Y C 1.716 177.615 175.900 -0.001 0.000 1.176 281 Y CA 0.593 58.683 58.100 -0.017 0.000 1.315 281 Y CB 0.034 38.478 38.460 -0.026 0.000 1.031 281 Y HN 0.192 nan 8.280 nan 0.000 0.524 282 G N -0.753 108.161 108.800 0.191 0.000 2.179 282 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 282 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 282 G C 0.240 175.337 174.900 0.328 0.000 0.990 282 G CA -0.236 45.016 45.100 0.253 0.000 0.646 282 G HN 0.551 nan 8.290 nan 0.000 0.517 283 A N 0.437 123.409 122.820 0.252 0.000 2.371 283 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 283 A C 1.465 179.132 177.584 0.139 0.000 1.089 283 A CA 1.062 53.208 52.037 0.181 0.000 0.794 283 A CB 0.722 19.831 19.000 0.182 0.000 1.029 283 A HN 1.558 nan 8.150 nan 0.000 0.488 284 S N 0.436 116.222 115.700 0.145 0.000 2.512 284 S HA 0.266 4.736 4.470 -0.000 0.000 0.216 284 S C 0.213 174.839 174.600 0.043 0.000 1.006 284 S CA 0.210 58.485 58.200 0.125 0.000 0.915 284 S CB -0.180 63.134 63.200 0.191 0.000 0.824 284 S HN 0.788 nan 8.310 nan 0.000 0.497 285 H N -0.432 118.684 119.070 0.077 0.000 2.930 285 H HA 0.687 5.243 4.556 -0.000 0.000 0.371 285 H C -1.941 173.526 175.328 0.231 0.000 1.169 285 H CA -0.817 55.300 56.048 0.116 0.000 1.157 285 H CB 1.493 31.292 29.762 0.061 0.000 1.789 285 H HN 0.221 nan 8.280 nan 0.000 0.547 286 F N 2.371 122.420 119.950 0.165 0.000 2.557 286 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 286 F C -1.320 174.588 175.800 0.179 0.000 1.141 286 F CA -0.884 57.205 58.000 0.148 0.000 0.922 286 F CB 0.897 39.950 39.000 0.089 0.000 1.194 286 F HN 0.457 nan 8.300 nan 0.000 0.443 287 I N 5.886 126.223 120.570 -0.388 0.000 2.519 287 I HA 0.395 4.565 4.170 -0.000 0.000 0.287 287 I C -0.701 175.138 176.117 -0.463 0.000 1.047 287 I CA -0.654 60.531 61.300 -0.191 0.000 1.381 287 I CB 1.285 39.363 38.000 0.130 0.000 1.417 287 I HN 0.322 nan 8.210 nan 0.000 0.540 288 V N 5.773 125.648 119.914 -0.064 0.000 2.501 288 V HA 0.360 4.480 4.120 -0.000 0.000 0.277 288 V C 0.528 176.757 176.094 0.224 0.000 1.004 288 V CA -0.471 61.835 62.300 0.011 0.000 0.862 288 V CB 0.986 32.753 31.823 -0.093 0.000 1.035 288 V HN 0.972 nan 8.190 nan 0.000 0.448 289 G N 3.020 112.001 108.800 0.301 0.000 2.531 289 G HA2 0.363 4.323 3.960 -0.000 0.000 0.253 289 G HA3 0.363 4.323 3.960 -0.000 0.000 0.253 289 G C -0.047 175.015 174.900 0.270 0.000 1.439 289 G CA -0.682 44.611 45.100 0.321 0.000 1.056 289 G HN 0.551 nan 8.290 nan 0.000 0.555 290 R N -0.027 120.598 120.500 0.207 0.000 2.491 290 R HA 0.128 4.468 4.340 -0.000 0.000 0.283 290 R C -0.187 176.094 176.300 -0.031 0.000 1.072 290 R CA 0.279 56.370 56.100 -0.016 0.000 1.048 290 R CB 0.149 30.431 30.300 -0.030 0.000 0.983 290 R HN 0.575 nan 8.270 nan 0.000 0.450 291 D N 1.846 122.176 120.400 -0.116 0.000 2.686 291 D HA -0.264 4.376 4.640 -0.000 0.000 0.235 291 D C -0.705 175.614 176.300 0.031 0.000 1.160 291 D CA 0.794 54.781 54.000 -0.023 0.000 0.645 291 D CB -1.028 39.773 40.800 0.002 0.000 1.039 291 D HN 0.499 nan 8.370 nan 0.000 0.423 292 H N 0.604 119.652 119.070 -0.037 0.000 3.004 292 H HA 0.302 4.858 4.556 -0.000 0.000 0.316 292 H C 1.369 176.648 175.328 -0.082 0.000 1.014 292 H CA 1.388 57.420 56.048 -0.027 0.000 1.454 292 H CB 0.272 30.035 29.762 0.000 0.000 1.472 292 H HN 0.437 nan 8.280 nan 0.000 0.571 293 A N 3.180 125.920 122.820 -0.134 0.000 2.816 293 A HA -0.183 4.137 4.320 -0.000 0.000 0.270 293 A C 1.028 178.551 177.584 -0.101 0.000 1.413 293 A CA 1.214 53.213 52.037 -0.063 0.000 0.866 293 A CB -1.915 17.085 19.000 0.001 0.000 1.032 293 A HN 0.981 nan 8.150 nan 0.000 0.642 294 G N -0.657 108.100 108.800 -0.073 0.000 2.377 294 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 294 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 294 G C -1.125 173.806 174.900 0.052 0.000 1.150 294 G CA -0.778 44.320 45.100 -0.004 0.000 0.847 294 G HN 0.296 nan 8.290 nan 0.000 0.501 295 P HA 0.176 nan 4.420 nan 0.000 0.249 295 P C 1.215 178.665 177.300 0.250 0.000 1.544 295 P CA 0.687 63.767 63.100 -0.034 0.000 0.932 295 P CB 0.126 31.525 31.700 -0.502 0.000 1.524 296 G N 1.502 110.490 108.800 0.314 0.000 2.531 296 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.274 296 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.274 296 G C -0.627 174.480 174.900 0.344 0.000 1.159 296 G CA -0.179 45.097 45.100 0.293 0.000 0.969 296 G HN 0.394 nan 8.290 nan 0.000 0.554 297 K N 1.260 121.749 120.400 0.148 0.000 2.281 297 K HA 0.469 4.789 4.320 -0.000 0.000 0.242 297 K C 0.561 176.985 176.600 -0.294 0.000 0.971 297 K CA -0.229 55.954 56.287 -0.173 0.000 0.834 297 K CB 1.568 34.013 32.500 -0.092 0.000 1.181 297 K HN 0.896 nan 8.250 nan 0.000 0.435 298 N N -1.222 117.094 118.700 -0.640 0.000 2.405 298 N HA 0.010 4.750 4.740 -0.000 0.000 0.269 298 N C 0.834 176.277 175.510 -0.112 0.000 1.249 298 N CA -0.413 52.418 53.050 -0.366 0.000 0.974 298 N CB 0.905 39.121 38.487 -0.452 0.000 1.204 298 N HN 0.539 nan 8.380 nan 0.000 0.565 299 S N -0.218 115.471 115.700 -0.019 0.000 2.440 299 S HA -0.194 4.276 4.470 -0.000 0.000 0.240 299 S C 1.187 175.775 174.600 -0.018 0.000 1.014 299 S CA 0.944 59.146 58.200 0.004 0.000 0.980 299 S CB -0.453 62.765 63.200 0.029 0.000 0.775 299 S HN 0.609 nan 8.310 nan 0.000 0.499 300 K N 0.710 121.082 120.400 -0.048 0.000 2.444 300 K HA 0.287 4.607 4.320 -0.000 0.000 0.193 300 K C 1.373 177.941 176.600 -0.053 0.000 1.024 300 K CA 0.365 56.626 56.287 -0.044 0.000 1.077 300 K CB -0.220 32.251 32.500 -0.049 0.000 0.833 300 K HN 0.551 nan 8.250 nan 0.000 0.517 301 G N 1.581 110.339 108.800 -0.071 0.000 2.176 301 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 301 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 301 G C 0.065 174.914 174.900 -0.085 0.000 0.979 301 G CA 0.246 45.310 45.100 -0.061 0.000 0.641 301 G HN 0.275 nan 8.290 nan 0.000 0.530 302 V N 0.445 120.277 119.914 -0.138 0.000 2.567 302 V HA 0.642 4.762 4.120 -0.000 0.000 0.289 302 V C 0.001 175.952 176.094 -0.238 0.000 1.049 302 V CA -0.843 61.369 62.300 -0.146 0.000 0.969 302 V CB 1.276 33.022 31.823 -0.129 0.000 0.995 302 V HN 0.170 nan 8.190 nan 0.000 0.471 303 D N 4.421 124.739 120.400 -0.138 0.000 2.443 303 D HA 0.119 4.759 4.640 -0.000 0.000 0.239 303 D C 0.542 176.764 176.300 -0.130 0.000 1.136 303 D CA 0.521 54.468 54.000 -0.089 0.000 0.879 303 D CB 0.856 41.668 40.800 0.021 0.000 1.195 303 D HN 0.628 nan 8.370 nan 0.000 0.443 304 F N 0.424 120.384 119.950 0.015 0.000 2.293 304 F HA -0.013 4.514 4.527 -0.000 0.000 0.297 304 F C 0.443 176.024 175.800 -0.365 0.000 1.089 304 F CA 0.792 58.717 58.000 -0.124 0.000 1.377 304 F CB 0.156 39.131 39.000 -0.042 0.000 1.051 304 F HN 0.296 nan 8.300 nan 0.000 0.511 305 Y N -1.273 119.173 120.300 0.243 0.000 2.588 305 Y HA 0.535 5.085 4.550 -0.000 0.000 0.343 305 Y C 0.532 176.489 175.900 0.095 0.000 1.065 305 Y CA -1.967 56.230 58.100 0.162 0.000 1.038 305 Y CB 0.544 39.099 38.460 0.159 0.000 1.297 305 Y HN -0.209 nan 8.280 nan 0.000 0.467 306 G N 1.742 110.688 108.800 0.243 0.000 2.491 306 G HA2 0.260 4.220 3.960 -0.000 0.000 0.242 306 G HA3 0.260 4.220 3.960 -0.000 0.000 0.242 306 G C -1.618 173.328 174.900 0.077 0.000 1.266 306 G CA -1.121 44.065 45.100 0.142 0.000 0.844 306 G HN 0.483 nan 8.290 nan 0.000 0.571 307 P HA -0.124 nan 4.420 nan 0.000 0.226 307 P C -0.156 176.730 177.300 -0.691 0.000 1.146 307 P CA 1.359 64.241 63.100 -0.362 0.000 0.773 307 P CB 0.059 31.482 31.700 -0.461 0.000 0.772 308 Y N -1.530 118.838 120.300 0.113 0.000 2.738 308 Y HA 0.179 4.729 4.550 -0.000 0.000 0.249 308 Y C 1.481 177.432 175.900 0.086 0.000 1.153 308 Y CA -0.522 57.635 58.100 0.094 0.000 1.165 308 Y CB 0.092 38.598 38.460 0.076 0.000 1.235 308 Y HN -0.202 nan 8.280 nan 0.000 0.559 309 D N 1.103 121.609 120.400 0.177 0.000 2.097 309 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 309 D C 2.258 178.630 176.300 0.120 0.000 0.989 309 D CA 1.580 55.678 54.000 0.162 0.000 0.827 309 D CB -0.127 40.802 40.800 0.215 0.000 0.966 309 D HN 0.373 nan 8.370 nan 0.000 0.456 310 A N 0.721 123.592 122.820 0.086 0.000 1.892 310 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 310 A C 2.134 179.752 177.584 0.056 0.000 1.188 310 A CA 1.796 53.855 52.037 0.038 0.000 0.631 310 A CB -0.753 18.250 19.000 0.005 0.000 0.822 310 A HN 0.238 nan 8.150 nan 0.000 0.447 311 Q N -0.782 119.084 119.800 0.110 0.000 2.084 311 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 311 Q C 2.061 178.103 176.000 0.070 0.000 0.978 311 Q CA 1.743 57.609 55.803 0.105 0.000 0.844 311 Q CB -0.156 28.688 28.738 0.177 0.000 0.898 311 Q HN 0.805 nan 8.270 nan 0.000 0.426 312 E N 0.475 120.723 120.200 0.080 0.000 2.047 312 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 312 E C 2.038 178.635 176.600 -0.004 0.000 0.987 312 E CA 0.696 57.119 56.400 0.039 0.000 0.799 312 E CB -0.092 29.641 29.700 0.055 0.000 0.752 312 E HN 0.286 nan 8.360 nan 0.000 0.449 313 L N 0.892 122.119 121.223 0.007 0.000 2.046 313 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 313 L C 2.384 179.244 176.870 -0.017 0.000 1.077 313 L CA 1.120 55.938 54.840 -0.036 0.000 0.747 313 L CB -0.163 41.925 42.059 0.048 0.000 0.896 313 L HN 0.097 nan 8.230 nan 0.000 0.432 314 V N -0.051 119.897 119.914 0.058 0.000 2.407 314 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 314 V C 2.459 178.590 176.094 0.063 0.000 1.055 314 V CA 1.888 64.250 62.300 0.102 0.000 1.049 314 V CB -0.471 31.397 31.823 0.076 0.000 0.662 314 V HN 0.482 nan 8.190 nan 0.000 0.455 315 E N 1.503 121.711 120.200 0.014 0.000 2.110 315 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 315 E C 2.231 178.818 176.600 -0.021 0.000 0.988 315 E CA 1.810 58.206 56.400 -0.006 0.000 0.804 315 E CB -0.431 29.264 29.700 -0.009 0.000 0.745 315 E HN 0.708 nan 8.360 nan 0.000 0.458 316 S N -1.357 114.286 115.700 -0.095 0.000 2.515 316 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 316 S C 1.438 175.942 174.600 -0.159 0.000 0.987 316 S CA 0.615 58.712 58.200 -0.170 0.000 0.936 316 S CB -0.484 62.525 63.200 -0.319 0.000 0.766 316 S HN 0.438 nan 8.310 nan 0.000 0.528 317 Y N 0.970 121.301 120.300 0.052 0.000 2.467 317 Y HA 0.386 4.936 4.550 -0.000 0.000 0.250 317 Y C 2.033 177.962 175.900 0.049 0.000 1.155 317 Y CA -0.622 57.514 58.100 0.060 0.000 1.249 317 Y CB 0.203 38.688 38.460 0.042 0.000 1.146 317 Y HN 0.165 nan 8.280 nan 0.000 0.524 318 K N 0.704 121.181 120.400 0.129 0.000 2.097 318 K HA -0.301 4.019 4.320 -0.000 0.000 0.214 318 K C 0.895 177.444 176.600 -0.086 0.000 1.052 318 K CA 2.447 58.717 56.287 -0.029 0.000 0.932 318 K CB -0.223 32.170 32.500 -0.177 0.000 0.716 318 K HN 0.473 nan 8.250 nan 0.000 0.455 319 H N -0.782 118.335 119.070 0.080 0.000 2.559 319 H HA -0.010 4.546 4.556 -0.000 0.000 0.273 319 H C 1.258 176.630 175.328 0.073 0.000 1.000 319 H CA 1.299 57.385 56.048 0.063 0.000 1.195 319 H CB 0.275 30.067 29.762 0.050 0.000 1.368 319 H HN 0.575 nan 8.280 nan 0.000 0.592 320 E N -0.064 120.249 120.200 0.188 0.000 2.601 320 E HA 0.065 4.415 4.350 -0.000 0.000 0.219 320 E C 1.102 177.789 176.600 0.144 0.000 0.964 320 E CA 0.004 56.494 56.400 0.151 0.000 1.050 320 E CB -0.028 29.762 29.700 0.150 0.000 1.068 320 E HN 0.332 nan 8.360 nan 0.000 0.496 321 L N 1.162 122.461 121.223 0.127 0.000 2.217 321 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 321 L C 0.673 177.604 176.870 0.101 0.000 1.107 321 L CA 1.214 56.119 54.840 0.108 0.000 0.783 321 L CB -0.290 41.809 42.059 0.067 0.000 0.919 321 L HN 0.224 nan 8.230 nan 0.000 0.442 322 D N -0.233 120.208 120.400 0.069 0.000 2.983 322 D HA -0.255 4.385 4.640 -0.000 0.000 0.225 322 D C -0.158 176.156 176.300 0.022 0.000 1.174 322 D CA 0.716 54.745 54.000 0.048 0.000 0.831 322 D CB -0.747 40.096 40.800 0.071 0.000 1.104 322 D HN 0.331 nan 8.370 nan 0.000 0.421 323 I N -0.362 120.210 120.570 0.002 0.000 2.607 323 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 323 I C -0.512 175.568 176.117 -0.061 0.000 1.129 323 I CA -0.853 60.432 61.300 -0.026 0.000 1.042 323 I CB 1.495 39.504 38.000 0.014 0.000 1.242 323 I HN -0.127 nan 8.210 nan 0.000 0.421 324 E N 5.529 125.613 120.200 -0.192 0.000 2.316 324 E HA 0.260 4.610 4.350 -0.000 0.000 0.275 324 E C -1.078 175.493 176.600 -0.049 0.000 1.029 324 E CA -0.320 55.953 56.400 -0.211 0.000 0.871 324 E CB 1.688 31.106 29.700 -0.470 0.000 1.022 324 E HN 0.401 nan 8.360 nan 0.000 0.418 325 V N 4.717 124.643 119.914 0.020 0.000 2.407 325 V HA 0.102 4.222 4.120 -0.000 0.000 0.278 325 V C 0.021 176.152 176.094 0.061 0.000 1.037 325 V CA -0.574 61.779 62.300 0.089 0.000 0.900 325 V CB 1.576 33.450 31.823 0.086 0.000 0.983 325 V HN 0.396 nan 8.190 nan 0.000 0.459 326 V N 8.691 128.657 119.914 0.087 0.000 2.304 326 V HA 0.281 4.401 4.120 -0.000 0.000 0.262 326 V C -1.892 174.193 176.094 -0.015 0.000 1.061 326 V CA -1.490 60.826 62.300 0.027 0.000 0.872 326 V CB 1.076 32.964 31.823 0.109 0.000 1.077 326 V HN 0.743 nan 8.190 nan 0.000 0.480 327 P HA 0.420 nan 4.420 nan 0.000 0.278 327 P C -1.124 176.055 177.300 -0.202 0.000 1.238 327 P CA -0.239 62.832 63.100 -0.048 0.000 0.794 327 P CB 1.168 32.842 31.700 -0.043 0.000 0.955 328 F N 1.898 121.901 119.950 0.088 0.000 2.578 328 F HA 0.422 4.948 4.527 -0.000 0.000 0.311 328 F C 0.662 176.565 175.800 0.172 0.000 1.094 328 F CA -0.687 57.373 58.000 0.100 0.000 0.923 328 F CB 1.948 41.011 39.000 0.104 0.000 1.230 328 F HN 0.146 nan 8.300 nan 0.000 0.450 329 R N 1.186 121.890 120.500 0.340 0.000 2.607 329 R HA 0.613 4.953 4.340 -0.000 0.000 0.261 329 R C -0.633 175.885 176.300 0.364 0.000 1.051 329 R CA -1.334 54.954 56.100 0.314 0.000 1.110 329 R CB 0.209 30.550 30.300 0.068 0.000 1.158 329 R HN 0.631 nan 8.270 nan 0.000 0.543 330 M N 0.850 120.683 119.600 0.388 0.000 2.366 330 M HA -0.038 4.442 4.480 -0.000 0.000 0.414 330 M C -1.101 175.323 176.300 0.206 0.000 1.578 330 M CA 0.667 56.126 55.300 0.264 0.000 0.892 330 M CB 0.051 32.795 32.600 0.240 0.000 2.082 330 M HN 0.315 nan 8.290 nan 0.000 0.498 331 V N 6.673 126.686 119.914 0.165 0.000 2.364 331 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 331 V C 0.356 176.580 176.094 0.216 0.000 1.036 331 V CA -0.268 62.122 62.300 0.150 0.000 0.880 331 V CB 1.009 32.847 31.823 0.025 0.000 0.991 331 V HN 0.958 nan 8.190 nan 0.000 0.460 332 T N 4.196 118.894 114.554 0.241 0.000 2.910 332 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 332 T C -1.231 173.584 174.700 0.192 0.000 1.050 332 T CA -0.422 61.836 62.100 0.262 0.000 1.011 332 T CB 1.379 70.331 68.868 0.140 0.000 1.195 332 T HN 0.455 nan 8.240 nan 0.000 0.540 333 Y N 1.869 122.047 120.300 -0.204 0.000 2.310 333 Y HA 0.607 5.157 4.550 -0.000 0.000 0.326 333 Y C -0.794 174.818 175.900 -0.481 0.000 1.151 333 Y CA -1.290 56.385 58.100 -0.709 0.000 1.195 333 Y CB 0.593 38.477 38.460 -0.960 0.000 1.210 333 Y HN 0.460 nan 8.280 nan 0.000 0.483 334 L N 9.609 130.115 121.223 -1.195 0.000 2.335 334 L HA 0.298 4.638 4.340 -0.000 0.000 0.268 334 L C -1.941 174.153 176.870 -1.293 0.000 1.037 334 L CA -1.812 52.474 54.840 -0.923 0.000 0.895 334 L CB 1.289 43.053 42.059 -0.492 0.000 1.266 334 L HN 0.549 nan 8.230 nan 0.000 0.439 335 P HA -0.205 nan 4.420 nan 0.000 0.211 335 P C 0.813 177.830 177.300 -0.471 0.000 1.181 335 P CA 1.318 63.933 63.100 -0.808 0.000 0.929 335 P CB 0.252 31.671 31.700 -0.470 0.000 0.789 336 D N -0.711 119.486 120.400 -0.338 0.000 2.322 336 D HA -0.180 4.460 4.640 -0.000 0.000 0.210 336 D C 1.240 177.424 176.300 -0.193 0.000 0.983 336 D CA 1.178 55.049 54.000 -0.215 0.000 0.902 336 D CB -0.402 40.294 40.800 -0.173 0.000 0.905 336 D HN 0.496 nan 8.370 nan 0.000 0.483 337 E N -0.367 119.679 120.200 -0.256 0.000 2.601 337 E HA 0.022 4.372 4.350 -0.000 0.000 0.219 337 E C -0.447 176.053 176.600 -0.166 0.000 0.964 337 E CA -0.286 56.005 56.400 -0.181 0.000 1.050 337 E CB 0.700 30.301 29.700 -0.166 0.000 1.068 337 E HN -0.093 nan 8.360 nan 0.000 0.496 338 D N 2.260 122.511 120.400 -0.247 0.000 3.205 338 D HA -0.205 4.435 4.640 -0.000 0.000 0.227 338 D C -0.684 175.628 176.300 0.020 0.000 1.171 338 D CA 1.296 55.255 54.000 -0.068 0.000 0.929 338 D CB -0.663 40.164 40.800 0.045 0.000 0.900 338 D HN 0.443 nan 8.370 nan 0.000 0.404 339 R N 0.232 120.703 120.500 -0.048 0.000 3.062 339 R HA 0.394 4.734 4.340 -0.000 0.000 0.279 339 R C -1.420 174.883 176.300 0.005 0.000 1.003 339 R CA -1.004 55.143 56.100 0.078 0.000 0.872 339 R CB 0.232 30.548 30.300 0.027 0.000 1.280 339 R HN -0.026 nan 8.270 nan 0.000 0.516 340 Y N 0.284 120.650 120.300 0.110 0.000 2.488 340 Y HA 0.883 5.433 4.550 -0.000 0.000 0.325 340 Y C 0.362 176.280 175.900 0.029 0.000 1.204 340 Y CA 0.278 58.434 58.100 0.094 0.000 1.229 340 Y CB 2.376 40.891 38.460 0.091 0.000 1.274 340 Y HN 0.973 nan 8.280 nan 0.000 0.493 341 A N 1.272 124.212 122.820 0.200 0.000 2.590 341 A HA 0.575 4.895 4.320 -0.000 0.000 0.294 341 A C -3.208 174.457 177.584 0.136 0.000 1.046 341 A CA -1.692 50.422 52.037 0.128 0.000 0.684 341 A CB 0.843 19.878 19.000 0.059 0.000 1.279 341 A HN 0.400 nan 8.150 nan 0.000 0.415 342 P HA 0.169 nan 4.420 nan 0.000 0.268 342 P C 0.847 178.213 177.300 0.110 0.000 1.204 342 P CA -0.104 63.098 63.100 0.170 0.000 0.768 342 P CB 0.474 32.290 31.700 0.193 0.000 0.842 343 I N 3.709 124.348 120.570 0.116 0.000 2.567 343 I HA -0.199 3.971 4.170 -0.000 0.000 0.257 343 I C 1.459 177.605 176.117 0.049 0.000 1.184 343 I CA 1.518 62.866 61.300 0.081 0.000 1.451 343 I CB -0.588 37.475 38.000 0.105 0.000 1.089 343 I HN 0.354 nan 8.210 nan 0.000 0.441 344 D N 0.421 120.846 120.400 0.042 0.000 2.371 344 D HA -0.218 4.422 4.640 -0.000 0.000 0.221 344 D C 1.069 177.368 176.300 -0.001 0.000 0.986 344 D CA 0.638 54.640 54.000 0.003 0.000 0.899 344 D CB -0.430 40.352 40.800 -0.029 0.000 0.902 344 D HN 0.684 nan 8.370 nan 0.000 0.530 345 Q N 0.404 120.211 119.800 0.012 0.000 2.217 345 Q HA 0.422 4.762 4.340 -0.000 0.000 0.340 345 Q C 0.537 176.536 176.000 -0.002 0.000 0.893 345 Q CA -0.507 55.297 55.803 0.003 0.000 1.142 345 Q CB -0.091 28.651 28.738 0.006 0.000 1.288 345 Q HN 0.479 nan 8.270 nan 0.000 0.426 346 I N -5.070 115.497 120.570 -0.005 0.000 3.134 346 I HA 0.462 4.632 4.170 -0.000 0.000 0.206 346 I C -0.017 176.089 176.117 -0.018 0.000 0.520 346 I CA -0.600 60.690 61.300 -0.016 0.000 2.828 346 I CB -0.019 37.966 38.000 -0.024 0.000 1.338 346 I HN 0.051 nan 8.210 nan 0.000 0.479 347 D N 1.206 121.593 120.400 -0.022 0.000 3.771 347 D HA -0.322 4.318 4.640 -0.000 0.000 0.145 347 D C 0.797 177.083 176.300 -0.024 0.000 0.892 347 D CA 3.740 57.727 54.000 -0.021 0.000 1.080 347 D CB -1.438 39.358 40.800 -0.006 0.000 0.498 347 D HN 1.198 nan 8.370 nan 0.000 0.499 348 T N -1.657 112.887 114.554 -0.016 0.000 7.366 348 T HA -0.267 4.083 4.350 -0.000 0.000 0.298 348 T C 1.182 175.870 174.700 -0.020 0.000 2.046 348 T CA 2.826 64.916 62.100 -0.017 0.000 3.126 348 T CB -2.116 66.741 68.868 -0.019 0.000 2.130 348 T HN 0.989 nan 8.240 nan 0.000 1.215 349 T N -0.596 113.944 114.554 -0.023 0.000 10.222 349 T HA -0.292 4.058 4.350 -0.000 0.000 0.382 349 T C 1.280 175.959 174.700 -0.035 0.000 1.698 349 T CA 2.066 64.150 62.100 -0.027 0.000 2.662 349 T CB -1.141 67.715 68.868 -0.021 0.000 2.712 349 T HN 0.693 nan 8.240 nan 0.000 1.066 350 K N 1.823 122.202 120.400 -0.035 0.000 2.360 350 K HA -0.002 4.318 4.320 -0.000 0.000 0.201 350 K C 0.947 177.515 176.600 -0.053 0.000 1.046 350 K CA 1.516 57.779 56.287 -0.039 0.000 0.940 350 K CB -0.186 32.293 32.500 -0.035 0.000 0.748 350 K HN 0.805 nan 8.250 nan 0.000 0.465 351 T N -1.749 112.768 114.554 -0.061 0.000 2.916 351 T HA 0.354 4.704 4.350 -0.000 0.000 0.298 351 T C -0.842 173.800 174.700 -0.095 0.000 1.031 351 T CA -1.130 60.918 62.100 -0.086 0.000 0.993 351 T CB 2.541 71.352 68.868 -0.094 0.000 1.045 351 T HN 0.020 nan 8.240 nan 0.000 0.454 352 R N 1.925 122.351 120.500 -0.122 0.000 2.349 352 R HA 0.612 4.952 4.340 -0.000 0.000 0.299 352 R C 0.228 176.418 176.300 -0.183 0.000 1.027 352 R CA -0.323 55.701 56.100 -0.128 0.000 0.958 352 R CB 0.728 30.954 30.300 -0.124 0.000 1.047 352 R HN 0.968 nan 8.270 nan 0.000 0.468 353 T N 0.990 115.455 114.554 -0.148 0.000 2.919 353 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 353 T C -0.176 174.432 174.700 -0.153 0.000 1.020 353 T CA -0.911 61.084 62.100 -0.174 0.000 0.994 353 T CB 1.229 70.045 68.868 -0.087 0.000 1.180 353 T HN 0.413 nan 8.240 nan 0.000 0.566 354 L N 1.037 122.180 121.223 -0.134 0.000 2.513 354 L HA 0.568 4.908 4.340 -0.000 0.000 0.261 354 L C -1.204 175.743 176.870 0.128 0.000 0.945 354 L CA -0.902 53.907 54.840 -0.051 0.000 0.848 354 L CB 2.334 44.245 42.059 -0.248 0.000 1.334 354 L HN 0.807 nan 8.230 nan 0.000 0.407 355 N N 3.768 122.603 118.700 0.226 0.000 2.478 355 N HA 0.420 5.160 4.740 -0.000 0.000 0.291 355 N C -1.560 174.108 175.510 0.264 0.000 1.090 355 N CA -0.377 52.856 53.050 0.305 0.000 0.911 355 N CB 2.206 40.819 38.487 0.210 0.000 1.546 355 N HN 0.555 nan 8.380 nan 0.000 0.500 356 I N 3.093 123.827 120.570 0.274 0.000 2.316 356 I HA 0.084 4.254 4.170 -0.000 0.000 0.286 356 I C 1.063 177.186 176.117 0.009 0.000 1.107 356 I CA -0.479 60.810 61.300 -0.019 0.000 1.219 356 I CB 0.446 38.120 38.000 -0.544 0.000 1.455 356 I HN 0.474 nan 8.210 nan 0.000 0.498 357 S N 3.306 119.041 115.700 0.057 0.000 2.560 357 S HA 0.028 4.498 4.470 -0.000 0.000 0.276 357 S C 1.588 176.222 174.600 0.057 0.000 1.350 357 S CA -0.025 58.228 58.200 0.089 0.000 1.024 357 S CB 1.049 64.292 63.200 0.072 0.000 0.864 357 S HN 0.732 nan 8.310 nan 0.000 0.536 358 G N 1.028 109.896 108.800 0.113 0.000 2.440 358 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 358 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 358 G C 1.291 176.218 174.900 0.046 0.000 1.154 358 G CA 1.285 46.450 45.100 0.108 0.000 0.767 358 G HN 0.759 nan 8.290 nan 0.000 0.552 359 T N 0.984 115.562 114.554 0.040 0.000 2.516 359 T HA -0.215 4.135 4.350 -0.000 0.000 0.261 359 T C 2.186 176.876 174.700 -0.016 0.000 1.130 359 T CA 2.019 64.131 62.100 0.019 0.000 1.193 359 T CB -0.393 68.489 68.868 0.024 0.000 0.864 359 T HN 0.494 nan 8.240 nan 0.000 0.410 360 E N 0.942 121.121 120.200 -0.036 0.000 2.208 360 E HA -0.179 4.171 4.350 -0.000 0.000 0.202 360 E C 1.922 178.442 176.600 -0.134 0.000 1.014 360 E CA 1.027 57.379 56.400 -0.080 0.000 0.819 360 E CB -0.697 28.949 29.700 -0.090 0.000 0.735 360 E HN 0.404 nan 8.360 nan 0.000 0.469 361 L N 0.594 121.729 121.223 -0.146 0.000 2.017 361 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 361 L C 2.243 179.057 176.870 -0.093 0.000 1.073 361 L CA 2.026 56.756 54.840 -0.183 0.000 0.745 361 L CB -0.452 41.540 42.059 -0.111 0.000 0.894 361 L HN 0.069 nan 8.230 nan 0.000 0.432 362 R N -0.914 119.563 120.500 -0.039 0.000 2.096 362 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 362 R C 2.399 178.673 176.300 -0.045 0.000 1.127 362 R CA 1.428 57.514 56.100 -0.022 0.000 0.968 362 R CB -0.596 29.704 30.300 -0.000 0.000 0.861 362 R HN 0.341 nan 8.270 nan 0.000 0.440 363 R N 1.379 121.846 120.500 -0.055 0.000 2.094 363 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 363 R C 2.212 178.465 176.300 -0.079 0.000 1.137 363 R CA 1.862 57.925 56.100 -0.063 0.000 0.943 363 R CB -0.069 30.193 30.300 -0.062 0.000 0.850 363 R HN 0.186 nan 8.270 nan 0.000 0.433 364 R N 0.094 120.536 120.500 -0.098 0.000 2.081 364 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 364 R C 2.437 178.686 176.300 -0.084 0.000 1.131 364 R CA 1.465 57.503 56.100 -0.103 0.000 0.960 364 R CB -0.359 29.858 30.300 -0.139 0.000 0.856 364 R HN 0.290 nan 8.270 nan 0.000 0.436 365 L N 0.053 121.233 121.223 -0.072 0.000 2.131 365 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 365 L C 2.694 179.530 176.870 -0.056 0.000 1.092 365 L CA 1.276 56.086 54.840 -0.050 0.000 0.759 365 L CB -0.290 41.753 42.059 -0.027 0.000 0.903 365 L HN 0.184 nan 8.230 nan 0.000 0.435 366 R N 0.064 120.525 120.500 -0.065 0.000 2.210 366 R HA -0.038 4.302 4.340 -0.000 0.000 0.203 366 R C 1.649 177.880 176.300 -0.116 0.000 1.010 366 R CA 0.862 56.911 56.100 -0.084 0.000 1.008 366 R CB 0.363 30.619 30.300 -0.074 0.000 0.923 366 R HN 0.358 nan 8.270 nan 0.000 0.469 367 V N -3.243 116.610 119.914 -0.102 0.000 3.483 367 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 367 V C 0.779 176.817 176.094 -0.093 0.000 1.389 367 V CA 0.406 62.640 62.300 -0.109 0.000 1.101 367 V CB 0.302 32.067 31.823 -0.097 0.000 0.971 367 V HN 0.309 nan 8.190 nan 0.000 0.434 368 G N 0.160 108.910 108.800 -0.082 0.000 2.168 368 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.257 368 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.257 368 G C 0.721 175.582 174.900 -0.065 0.000 0.997 368 G CA 0.377 45.437 45.100 -0.068 0.000 0.708 368 G HN 1.478 nan 8.290 nan 0.000 0.520 369 G N -0.719 108.037 108.800 -0.074 0.000 2.732 369 G HA2 0.415 4.375 3.960 -0.000 0.000 0.244 369 G HA3 0.415 4.375 3.960 -0.000 0.000 0.244 369 G C -0.056 174.796 174.900 -0.080 0.000 1.226 369 G CA 0.165 45.218 45.100 -0.077 0.000 0.860 369 G HN 0.401 nan 8.290 nan 0.000 0.583 370 E N -0.607 119.543 120.200 -0.083 0.000 2.081 370 E HA 0.359 4.709 4.350 -0.000 0.000 0.276 370 E C -0.336 176.185 176.600 -0.132 0.000 0.950 370 E CA -0.554 55.794 56.400 -0.086 0.000 0.776 370 E CB 0.860 30.521 29.700 -0.064 0.000 1.094 370 E HN 0.208 nan 8.360 nan 0.000 0.402 371 I N 6.901 127.384 120.570 -0.145 0.000 2.452 371 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 371 I C -1.934 174.034 176.117 -0.249 0.000 1.079 371 I CA -1.956 59.211 61.300 -0.221 0.000 1.387 371 I CB 0.373 38.283 38.000 -0.150 0.000 1.404 371 I HN 0.470 nan 8.210 nan 0.000 0.522 372 P HA -0.071 nan 4.420 nan 0.000 0.263 372 P C 0.744 177.752 177.300 -0.488 0.000 1.168 372 P CA 0.094 62.852 63.100 -0.570 0.000 0.759 372 P CB 0.553 31.495 31.700 -1.263 0.000 0.782 373 E N 2.490 122.528 120.200 -0.270 0.000 2.160 373 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 373 E C 1.700 178.197 176.600 -0.171 0.000 0.991 373 E CA 1.313 57.619 56.400 -0.156 0.000 0.810 373 E CB -0.179 29.495 29.700 -0.044 0.000 0.742 373 E HN 0.705 nan 8.360 nan 0.000 0.466 374 W N -0.447 120.753 121.300 -0.167 0.000 2.436 374 W HA -0.097 4.563 4.660 -0.000 0.000 0.284 374 W C 1.869 178.246 176.519 -0.237 0.000 1.225 374 W CA 0.059 57.208 57.345 -0.328 0.000 1.271 374 W CB -1.319 27.699 29.460 -0.736 0.000 1.114 374 W HN -0.077 nan 8.180 nan 0.000 0.559 375 F N 2.454 121.943 119.950 -0.768 0.000 2.051 375 F HA 0.015 4.542 4.527 -0.000 0.000 0.296 375 F C 1.269 176.937 175.800 -0.220 0.000 1.122 375 F CA 2.151 59.824 58.000 -0.545 0.000 1.201 375 F CB -0.468 37.948 39.000 -0.973 0.000 0.978 375 F HN -0.162 nan 8.300 nan 0.000 0.472 376 S N -2.420 113.086 115.700 -0.324 0.000 2.618 376 S HA 0.448 4.918 4.470 -0.000 0.000 0.277 376 S C -1.478 173.050 174.600 -0.119 0.000 1.138 376 S CA -0.737 57.337 58.200 -0.211 0.000 0.844 376 S CB 0.423 63.624 63.200 0.000 0.000 1.127 376 S HN 0.053 nan 8.310 nan 0.000 0.474 377 Y N 2.515 122.797 120.300 -0.030 0.000 2.379 377 Y HA 0.241 4.791 4.550 -0.000 0.000 0.337 377 Y C -0.945 174.954 175.900 -0.002 0.000 1.238 377 Y CA -1.347 56.743 58.100 -0.017 0.000 1.405 377 Y CB 0.075 38.524 38.460 -0.019 0.000 1.310 377 Y HN 0.521 nan 8.280 nan 0.000 0.569 378 P HA -0.200 nan 4.420 nan 0.000 0.215 378 P C 0.431 177.778 177.300 0.077 0.000 1.157 378 P CA 2.083 65.226 63.100 0.072 0.000 0.868 378 P CB 0.285 32.015 31.700 0.050 0.000 0.788 379 E N 0.049 120.302 120.200 0.090 0.000 2.171 379 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 379 E C 2.147 178.774 176.600 0.044 0.000 0.997 379 E CA 1.053 57.485 56.400 0.053 0.000 0.810 379 E CB -1.229 28.494 29.700 0.038 0.000 0.738 379 E HN 0.105 nan 8.360 nan 0.000 0.467 380 V N 0.803 120.763 119.914 0.076 0.000 2.323 380 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 380 V C 2.280 178.418 176.094 0.074 0.000 1.041 380 V CA 1.349 63.686 62.300 0.061 0.000 1.025 380 V CB -0.311 31.575 31.823 0.106 0.000 0.656 380 V HN 0.172 nan 8.190 nan 0.000 0.451 381 V N 0.321 120.294 119.914 0.099 0.000 2.407 381 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 381 V C 2.423 178.542 176.094 0.042 0.000 1.055 381 V CA 2.349 64.698 62.300 0.081 0.000 1.049 381 V CB -0.777 31.083 31.823 0.062 0.000 0.662 381 V HN 0.586 nan 8.190 nan 0.000 0.455 382 K N 0.305 120.724 120.400 0.032 0.000 2.032 382 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 382 K C 2.127 178.733 176.600 0.011 0.000 1.048 382 K CA 2.001 58.298 56.287 0.017 0.000 0.927 382 K CB -0.282 32.227 32.500 0.016 0.000 0.712 382 K HN 0.426 nan 8.250 nan 0.000 0.441 383 I N 1.234 121.809 120.570 0.009 0.000 2.226 383 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 383 I C 2.296 178.411 176.117 -0.003 0.000 1.100 383 I CA 1.050 62.348 61.300 -0.004 0.000 1.374 383 I CB -0.199 37.788 38.000 -0.021 0.000 1.057 383 I HN 0.235 nan 8.210 nan 0.000 0.413 384 L N 0.147 121.376 121.223 0.011 0.000 2.027 384 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 384 L C 2.802 179.679 176.870 0.011 0.000 1.074 384 L CA 1.423 56.273 54.840 0.018 0.000 0.745 384 L CB -0.576 41.517 42.059 0.058 0.000 0.898 384 L HN 0.159 nan 8.230 nan 0.000 0.433 385 R N -0.010 120.496 120.500 0.010 0.000 2.091 385 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 385 R C 2.177 178.474 176.300 -0.004 0.000 1.136 385 R CA 1.725 57.825 56.100 -0.001 0.000 0.959 385 R CB -0.399 29.898 30.300 -0.005 0.000 0.856 385 R HN 0.427 nan 8.270 nan 0.000 0.437 386 E N 0.357 120.556 120.200 -0.003 0.000 2.204 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 386 E C 1.163 177.759 176.600 -0.007 0.000 0.990 386 E CA 1.336 57.733 56.400 -0.005 0.000 0.821 386 E CB 0.184 29.881 29.700 -0.004 0.000 0.750 386 E HN 0.203 nan 8.360 nan 0.000 0.477 387 S N -0.015 115.681 115.700 -0.006 0.000 2.470 387 S HA 0.081 4.550 4.470 -0.000 0.000 0.222 387 S C 0.060 174.657 174.600 -0.006 0.000 1.024 387 S CA 0.056 58.251 58.200 -0.007 0.000 0.931 387 S CB 0.237 63.433 63.200 -0.007 0.000 0.791 387 S HN 0.203 nan 8.310 nan 0.000 0.513 388 N N 1.850 120.548 118.700 -0.003 0.000 2.841 388 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 388 N C -2.991 172.514 175.510 -0.008 0.000 1.396 388 N CA -1.278 51.770 53.050 -0.002 0.000 0.823 388 N CB 1.398 39.886 38.487 0.002 0.000 1.162 388 N HN 0.216 nan 8.380 nan 0.000 0.503 389 P HA 0.120 nan 4.420 nan 0.000 0.270 389 P C -2.600 174.682 177.300 -0.030 0.000 1.223 389 P CA -0.762 62.329 63.100 -0.015 0.000 0.785 389 P CB 0.414 32.111 31.700 -0.006 0.000 0.923 390 P HA 0.136 nan 4.420 nan 0.000 0.274 390 P C 1.139 178.373 177.300 -0.110 0.000 1.246 390 P CA -0.296 62.756 63.100 -0.079 0.000 0.795 390 P CB 0.681 32.336 31.700 -0.075 0.000 1.006 391 R N 1.460 121.837 120.500 -0.204 0.000 2.134 391 R HA -0.144 4.196 4.340 -0.000 0.000 0.248 391 R C -0.504 175.657 176.300 -0.232 0.000 1.143 391 R CA 2.211 58.088 56.100 -0.370 0.000 0.957 391 R CB -2.622 27.301 30.300 -0.628 0.000 0.867 391 R HN 0.552 nan 8.270 nan 0.000 0.441 392 P HA -0.114 nan 4.420 nan 0.000 0.229 392 P C 0.188 177.508 177.300 0.034 0.000 1.150 392 P CA 1.420 64.495 63.100 -0.043 0.000 0.765 392 P CB -0.033 31.635 31.700 -0.053 0.000 0.783 393 K N -1.326 119.087 120.400 0.022 0.000 2.447 393 K HA 0.177 4.497 4.320 -0.000 0.000 0.205 393 K C 0.804 177.444 176.600 0.068 0.000 1.059 393 K CA -0.131 56.182 56.287 0.045 0.000 1.065 393 K CB 0.700 33.209 32.500 0.017 0.000 0.885 393 K HN 0.243 nan 8.250 nan 0.000 0.545 394 Q N 0.139 120.008 119.800 0.115 0.000 2.260 394 Q HA 0.314 4.654 4.340 -0.000 0.000 0.238 394 Q C 0.381 176.553 176.000 0.287 0.000 0.948 394 Q CA -0.554 55.359 55.803 0.183 0.000 0.895 394 Q CB 1.423 30.279 28.738 0.196 0.000 1.218 394 Q HN 0.187 nan 8.270 nan 0.000 0.470 395 G N 0.351 109.272 108.800 0.201 0.000 2.522 395 G HA2 0.633 4.593 3.960 -0.000 0.000 0.304 395 G HA3 0.633 4.593 3.960 -0.000 0.000 0.304 395 G C -0.935 174.079 174.900 0.189 0.000 1.210 395 G CA -0.247 44.889 45.100 0.060 0.000 0.960 395 G HN 0.552 nan 8.290 nan 0.000 0.497 396 F N -2.722 117.230 119.950 0.004 0.000 2.900 396 F HA 0.740 5.267 4.527 -0.000 0.000 0.321 396 F C -0.844 174.962 175.800 0.011 0.000 1.160 396 F CA -1.531 56.445 58.000 -0.041 0.000 0.890 396 F CB 0.963 39.732 39.000 -0.384 0.000 1.334 396 F HN 0.524 nan 8.300 nan 0.000 0.459 397 S N 1.581 117.535 115.700 0.424 0.000 2.546 397 S HA 0.810 5.280 4.470 -0.000 0.000 0.274 397 S C -1.657 173.215 174.600 0.455 0.000 1.121 397 S CA -0.618 57.788 58.200 0.344 0.000 0.887 397 S CB 1.944 65.269 63.200 0.208 0.000 1.094 397 S HN 0.592 nan 8.310 nan 0.000 0.474 398 I N 2.761 123.576 120.570 0.407 0.000 2.389 398 I HA 0.402 4.572 4.170 -0.000 0.000 0.288 398 I C -0.647 175.605 176.117 0.226 0.000 0.999 398 I CA -0.676 60.816 61.300 0.319 0.000 1.129 398 I CB 1.394 39.605 38.000 0.351 0.000 1.288 398 I HN 0.306 nan 8.210 nan 0.000 0.444 399 V N 6.766 126.767 119.914 0.145 0.000 2.370 399 V HA 0.337 4.457 4.120 -0.000 0.000 0.279 399 V C 0.482 176.595 176.094 0.031 0.000 1.029 399 V CA -0.730 61.618 62.300 0.081 0.000 0.870 399 V CB 1.777 33.576 31.823 -0.039 0.000 0.984 399 V HN 0.413 nan 8.190 nan 0.000 0.451 400 L N 5.380 126.627 121.223 0.041 0.000 2.485 400 L HA 0.300 4.640 4.340 -0.000 0.000 0.279 400 L C 1.384 178.241 176.870 -0.022 0.000 1.124 400 L CA 0.122 54.970 54.840 0.013 0.000 0.888 400 L CB -0.153 41.918 42.059 0.020 0.000 1.217 400 L HN 0.832 nan 8.230 nan 0.000 0.464 401 G N 2.581 111.357 108.800 -0.039 0.000 2.760 401 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.236 401 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.236 401 G C 0.870 175.741 174.900 -0.048 0.000 1.243 401 G CA -0.386 44.678 45.100 -0.060 0.000 0.850 401 G HN 0.696 nan 8.290 nan 0.000 0.595 402 N N -0.064 118.602 118.700 -0.057 0.000 2.188 402 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 402 N C 2.658 178.150 175.510 -0.030 0.000 1.018 402 N CA 1.476 54.502 53.050 -0.041 0.000 0.858 402 N CB -0.265 38.196 38.487 -0.044 0.000 0.989 402 N HN 0.571 nan 8.380 nan 0.000 0.426 403 S N 0.470 116.152 115.700 -0.030 0.000 2.500 403 S HA -0.030 4.440 4.470 -0.000 0.000 0.239 403 S C 0.897 175.484 174.600 -0.022 0.000 0.989 403 S CA 0.077 58.263 58.200 -0.024 0.000 0.951 403 S CB -0.297 62.890 63.200 -0.022 0.000 0.759 403 S HN 0.084 nan 8.310 nan 0.000 0.523 404 L N 2.693 123.902 121.223 -0.023 0.000 2.601 404 L HA 0.080 4.420 4.340 -0.000 0.000 0.277 404 L C 1.302 178.159 176.870 -0.021 0.000 1.219 404 L CA 0.924 55.751 54.840 -0.021 0.000 0.915 404 L CB -0.068 41.979 42.059 -0.020 0.000 1.160 404 L HN 0.320 nan 8.230 nan 0.000 0.494 405 T N 2.410 116.951 114.554 -0.022 0.000 3.015 405 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 405 T C 0.890 175.575 174.700 -0.025 0.000 1.057 405 T CA -0.041 62.045 62.100 -0.022 0.000 1.066 405 T CB 0.344 69.198 68.868 -0.022 0.000 0.959 405 T HN 0.508 nan 8.240 nan 0.000 0.488 406 V N 0.612 120.509 119.914 -0.028 0.000 3.441 406 V HA 0.471 4.591 4.120 -0.000 0.000 0.300 406 V C 0.654 176.731 176.094 -0.028 0.000 1.091 406 V CA -1.097 61.184 62.300 -0.031 0.000 1.099 406 V CB 0.737 32.538 31.823 -0.035 0.000 1.138 406 V HN 0.154 nan 8.190 nan 0.000 0.471 407 S N 0.637 116.319 115.700 -0.030 0.000 2.466 407 S HA 0.205 4.675 4.470 -0.000 0.000 0.286 407 S C 1.144 175.727 174.600 -0.028 0.000 1.221 407 S CA -0.008 58.175 58.200 -0.029 0.000 1.091 407 S CB -0.189 62.993 63.200 -0.031 0.000 0.956 407 S HN 0.787 nan 8.310 nan 0.000 0.501 408 R N 3.117 123.603 120.500 -0.024 0.000 2.120 408 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 408 R C 1.781 178.068 176.300 -0.023 0.000 1.123 408 R CA 1.908 57.996 56.100 -0.020 0.000 0.975 408 R CB -0.121 30.168 30.300 -0.018 0.000 0.866 408 R HN 0.649 nan 8.270 nan 0.000 0.446 409 E N 0.444 120.629 120.200 -0.026 0.000 2.047 409 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 409 E C 2.046 178.625 176.600 -0.034 0.000 0.987 409 E CA 0.945 57.328 56.400 -0.029 0.000 0.799 409 E CB -0.083 29.600 29.700 -0.029 0.000 0.752 409 E HN 0.160 nan 8.360 nan 0.000 0.449 410 Q N 0.000 119.778 119.800 -0.037 0.000 2.119 410 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 410 Q C 2.273 178.241 176.000 -0.053 0.000 0.972 410 Q CA 0.684 56.460 55.803 -0.044 0.000 0.847 410 Q CB -0.320 28.393 28.738 -0.042 0.000 0.903 410 Q HN 0.252 nan 8.270 nan 0.000 0.433 411 L N 0.501 121.696 121.223 -0.047 0.000 2.141 411 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 411 L C 2.036 178.867 176.870 -0.064 0.000 1.094 411 L CA 1.495 56.304 54.840 -0.052 0.000 0.763 411 L CB -0.541 41.497 42.059 -0.035 0.000 0.908 411 L HN -0.023 nan 8.230 nan 0.000 0.437 412 S N -0.213 115.460 115.700 -0.046 0.000 2.345 412 S HA -0.108 4.362 4.470 -0.000 0.000 0.220 412 S C 1.950 176.504 174.600 -0.077 0.000 1.031 412 S CA 1.723 59.900 58.200 -0.039 0.000 0.996 412 S CB -0.379 62.815 63.200 -0.010 0.000 0.882 412 S HN 0.480 nan 8.310 nan 0.000 0.445 413 I N 1.850 122.376 120.570 -0.073 0.000 2.163 413 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 413 I C 2.715 178.748 176.117 -0.140 0.000 1.085 413 I CA 1.171 62.417 61.300 -0.090 0.000 1.347 413 I CB -0.584 37.375 38.000 -0.069 0.000 1.044 413 I HN 0.264 nan 8.210 nan 0.000 0.408 414 A N 1.098 123.834 122.820 -0.141 0.000 1.883 414 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 414 A C 2.314 179.719 177.584 -0.299 0.000 1.186 414 A CA 1.632 53.563 52.037 -0.177 0.000 0.624 414 A CB -0.964 17.957 19.000 -0.132 0.000 0.822 414 A HN 0.391 nan 8.150 nan 0.000 0.444 415 L N -1.229 119.785 121.223 -0.348 0.000 2.046 415 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 415 L C 2.574 178.917 176.870 -0.879 0.000 1.077 415 L CA 1.182 55.606 54.840 -0.694 0.000 0.747 415 L CB -0.551 41.202 42.059 -0.510 0.000 0.896 415 L HN 0.475 nan 8.230 nan 0.000 0.432 416 L N -0.616 120.352 121.223 -0.424 0.000 1.994 416 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 416 L C 2.617 179.295 176.870 -0.320 0.000 1.071 416 L CA 1.921 56.596 54.840 -0.274 0.000 0.745 416 L CB -0.662 41.329 42.059 -0.114 0.000 0.892 416 L HN 0.073 nan 8.230 nan 0.000 0.431 417 S N -1.154 114.381 115.700 -0.276 0.000 2.383 417 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 417 S C 1.769 176.161 174.600 -0.348 0.000 1.030 417 S CA 1.671 59.723 58.200 -0.246 0.000 1.002 417 S CB -0.492 62.599 63.200 -0.182 0.000 0.829 417 S HN 0.637 nan 8.310 nan 0.000 0.467 418 T N 1.765 116.040 114.554 -0.465 0.000 2.737 418 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 418 T C 1.362 175.515 174.700 -0.911 0.000 1.038 418 T CA 1.047 62.796 62.100 -0.584 0.000 1.144 418 T CB -0.359 68.204 68.868 -0.508 0.000 0.866 418 T HN 0.315 nan 8.240 nan 0.000 0.434 419 F N 1.296 120.767 119.950 -0.800 0.000 2.186 419 F HA 0.149 4.676 4.527 -0.000 0.000 0.299 419 F C 2.108 177.383 175.800 -0.875 0.000 1.090 419 F CA -0.180 57.215 58.000 -1.009 0.000 1.307 419 F CB -1.288 37.102 39.000 -1.018 0.000 1.019 419 F HN 0.104 nan 8.300 nan 0.000 0.489 420 L N 0.061 121.028 121.223 -0.426 0.000 2.127 420 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 420 L C 2.444 179.240 176.870 -0.124 0.000 1.089 420 L CA 1.457 56.191 54.840 -0.178 0.000 0.757 420 L CB -0.779 41.205 42.059 -0.125 0.000 0.899 420 L HN 0.298 nan 8.230 nan 0.000 0.434 421 Q N -1.097 118.547 119.800 -0.260 0.000 2.435 421 Q HA -0.108 4.232 4.340 -0.000 0.000 0.207 421 Q C 1.867 177.937 176.000 0.117 0.000 0.956 421 Q CA 1.081 56.824 55.803 -0.101 0.000 0.917 421 Q CB -0.301 28.363 28.738 -0.124 0.000 0.997 421 Q HN 0.490 nan 8.270 nan 0.000 0.497 422 F N 1.863 121.839 119.950 0.043 0.000 2.234 422 F HA 0.149 4.676 4.527 -0.000 0.000 0.296 422 F C 1.520 177.363 175.800 0.072 0.000 1.089 422 F CA 0.149 58.188 58.000 0.064 0.000 1.343 422 F CB -0.102 38.843 39.000 -0.090 0.000 1.040 422 F HN 0.297 nan 8.300 nan 0.000 0.498 423 G N 0.172 109.149 108.800 0.296 0.000 2.901 423 G HA2 0.086 4.046 3.960 -0.000 0.000 0.654 423 G HA3 0.086 4.046 3.960 -0.000 0.000 0.654 423 G C 0.451 175.479 174.900 0.214 0.000 1.550 423 G CA -0.247 44.987 45.100 0.224 0.000 0.978 423 G HN 1.078 nan 8.290 nan 0.000 0.566 424 G N -1.688 107.211 108.800 0.165 0.000 2.407 424 G HA2 0.527 4.487 3.960 -0.000 0.000 0.210 424 G HA3 0.527 4.487 3.960 -0.000 0.000 0.210 424 G C 1.761 176.732 174.900 0.117 0.000 1.015 424 G CA 0.885 46.064 45.100 0.130 0.000 0.807 424 G HN 2.996 nan 8.290 nan 0.000 0.539 425 G N -0.329 108.540 108.800 0.115 0.000 2.212 425 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.266 425 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.266 425 G C 0.529 175.469 174.900 0.067 0.000 0.978 425 G CA 1.261 46.413 45.100 0.087 0.000 0.632 425 G HN 1.114 nan 8.290 nan 0.000 0.537 426 R N -0.175 120.358 120.500 0.055 0.000 2.438 426 R HA 0.511 4.851 4.340 -0.000 0.000 0.287 426 R C -0.392 175.733 176.300 -0.292 0.000 1.077 426 R CA -0.652 55.375 56.100 -0.122 0.000 1.034 426 R CB 0.209 30.396 30.300 -0.188 0.000 0.993 426 R HN 0.229 nan 8.270 nan 0.000 0.459 427 Y N 4.146 124.201 120.300 -0.409 0.000 2.320 427 Y HA 0.273 4.823 4.550 -0.000 0.000 0.334 427 Y C -1.379 174.209 175.900 -0.519 0.000 1.055 427 Y CA -0.273 57.646 58.100 -0.302 0.000 1.143 427 Y CB 0.696 39.092 38.460 -0.107 0.000 1.193 427 Y HN 0.500 nan 8.280 nan 0.000 0.477 428 Y N 4.149 124.327 120.300 -0.203 0.000 2.549 428 Y HA 0.605 5.155 4.550 -0.000 0.000 0.339 428 Y C -0.428 175.416 175.900 -0.093 0.000 1.053 428 Y CA -1.132 56.927 58.100 -0.069 0.000 1.105 428 Y CB 2.065 40.543 38.460 0.030 0.000 1.258 428 Y HN 0.478 nan 8.280 nan 0.000 0.478 429 K N 1.940 122.433 120.400 0.156 0.000 2.569 429 K HA 0.374 4.694 4.320 -0.000 0.000 0.259 429 K C -2.027 174.645 176.600 0.119 0.000 0.932 429 K CA -0.582 55.764 56.287 0.100 0.000 0.833 429 K CB 1.327 33.860 32.500 0.055 0.000 1.340 429 K HN 0.574 nan 8.250 nan 0.000 0.429 430 I N 4.261 124.898 120.570 0.113 0.000 2.471 430 I HA 0.190 4.360 4.170 -0.000 0.000 0.286 430 I C -0.329 175.888 176.117 0.166 0.000 1.079 430 I CA -0.046 61.325 61.300 0.119 0.000 1.398 430 I CB -0.035 38.000 38.000 0.059 0.000 1.403 430 I HN 0.533 nan 8.210 nan 0.000 0.530 431 F N 6.211 126.166 119.950 0.008 0.000 2.382 431 F HA 0.351 4.878 4.527 -0.000 0.000 0.361 431 F C 0.232 176.055 175.800 0.037 0.000 1.109 431 F CA -0.610 57.395 58.000 0.007 0.000 1.031 431 F CB 0.932 39.929 39.000 -0.005 0.000 1.234 431 F HN 0.447 nan 8.300 nan 0.000 0.445 432 E N 4.712 124.690 120.200 -0.369 0.000 2.081 432 E HA 0.107 4.457 4.350 -0.000 0.000 0.281 432 E C 0.007 176.302 176.600 -0.507 0.000 0.986 432 E CA -0.206 55.979 56.400 -0.359 0.000 0.796 432 E CB 0.584 30.135 29.700 -0.248 0.000 1.085 432 E HN 0.782 nan 8.360 nan 0.000 0.398 433 H N 2.418 121.376 119.070 -0.186 0.000 2.525 433 H HA 0.162 4.718 4.556 -0.000 0.000 0.275 433 H C 0.078 175.384 175.328 -0.037 0.000 0.984 433 H CA 0.322 56.303 56.048 -0.112 0.000 1.264 433 H CB -0.138 29.711 29.762 0.145 0.000 1.432 433 H HN 0.559 nan 8.280 nan 0.000 0.549 434 N N 0.575 119.191 118.700 -0.139 0.000 2.721 434 N HA -0.317 4.423 4.740 -0.000 0.000 0.249 434 N C -0.634 174.983 175.510 0.179 0.000 1.072 434 N CA 0.468 53.520 53.050 0.004 0.000 0.710 434 N CB -1.264 37.204 38.487 -0.032 0.000 0.993 434 N HN 0.568 nan 8.380 nan 0.000 0.547 435 N N -1.181 117.800 118.700 0.467 0.000 2.678 435 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 435 N C -1.145 174.458 175.510 0.156 0.000 1.136 435 N CA 1.560 54.797 53.050 0.311 0.000 0.757 435 N CB -0.278 38.339 38.487 0.215 0.000 1.135 435 N HN 0.510 nan 8.380 nan 0.000 0.565 436 K N -0.282 120.200 120.400 0.137 0.000 2.262 436 K HA 0.165 4.485 4.320 -0.000 0.000 0.282 436 K C 1.560 178.189 176.600 0.048 0.000 1.066 436 K CA 0.304 56.633 56.287 0.069 0.000 0.901 436 K CB 0.804 33.334 32.500 0.051 0.000 1.089 436 K HN 0.259 nan 8.250 nan 0.000 0.476 437 T N -0.249 114.313 114.554 0.014 0.000 2.849 437 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 437 T C 1.364 176.063 174.700 -0.001 0.000 1.066 437 T CA 1.482 63.571 62.100 -0.019 0.000 1.130 437 T CB -0.243 68.608 68.868 -0.029 0.000 0.864 437 T HN 0.736 nan 8.240 nan 0.000 0.481 438 E N 0.889 121.101 120.200 0.019 0.000 2.409 438 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 438 E C 2.001 178.645 176.600 0.074 0.000 1.024 438 E CA 0.593 57.010 56.400 0.030 0.000 0.861 438 E CB -0.421 29.294 29.700 0.024 0.000 0.788 438 E HN 0.492 nan 8.360 nan 0.000 0.521 439 L N 0.115 121.400 121.223 0.103 0.000 2.362 439 L HA 0.088 4.428 4.340 -0.000 0.000 0.204 439 L C 2.338 179.386 176.870 0.296 0.000 1.060 439 L CA 0.074 55.046 54.840 0.219 0.000 0.827 439 L CB -0.116 42.014 42.059 0.118 0.000 1.027 439 L HN 0.100 nan 8.230 nan 0.000 0.474 440 L N 0.125 121.422 121.223 0.123 0.000 2.042 440 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 440 L C 2.722 179.541 176.870 -0.084 0.000 1.076 440 L CA 1.761 56.574 54.840 -0.044 0.000 0.749 440 L CB -0.633 41.276 42.059 -0.249 0.000 0.893 440 L HN 0.373 nan 8.230 nan 0.000 0.432 441 S N -0.585 115.083 115.700 -0.053 0.000 2.547 441 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 441 S C 1.692 176.267 174.600 -0.042 0.000 0.980 441 S CA 0.698 58.858 58.200 -0.066 0.000 0.941 441 S CB -0.429 62.741 63.200 -0.050 0.000 0.763 441 S HN 0.414 nan 8.310 nan 0.000 0.532 442 L N 0.225 121.462 121.223 0.024 0.000 2.529 442 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 442 L C 2.102 178.951 176.870 -0.034 0.000 1.113 442 L CA 0.113 54.959 54.840 0.010 0.000 0.861 442 L CB -0.352 41.804 42.059 0.162 0.000 1.012 442 L HN 0.290 nan 8.230 nan 0.000 0.461 443 I N -0.271 120.257 120.570 -0.070 0.000 2.127 443 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 443 I C 2.519 178.596 176.117 -0.068 0.000 1.075 443 I CA 1.282 62.501 61.300 -0.134 0.000 1.334 443 I CB -0.241 37.680 38.000 -0.131 0.000 1.040 443 I HN 0.358 nan 8.210 nan 0.000 0.405 444 Q N 0.333 120.088 119.800 -0.075 0.000 2.291 444 Q HA -0.172 4.168 4.340 -0.000 0.000 0.205 444 Q C 1.711 177.669 176.000 -0.070 0.000 0.970 444 Q CA 1.170 56.940 55.803 -0.055 0.000 0.876 444 Q CB -0.375 28.329 28.738 -0.057 0.000 0.935 444 Q HN 0.519 nan 8.270 nan 0.000 0.455 445 D N -0.408 119.921 120.400 -0.118 0.000 2.097 445 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 445 D C 1.776 177.932 176.300 -0.239 0.000 0.989 445 D CA 0.909 54.786 54.000 -0.205 0.000 0.827 445 D CB -0.276 40.341 40.800 -0.305 0.000 0.966 445 D HN 0.231 nan 8.370 nan 0.000 0.456 446 F N 1.042 120.887 119.950 -0.176 0.000 2.102 446 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 446 F C 2.554 178.260 175.800 -0.157 0.000 1.105 446 F CA 0.593 58.480 58.000 -0.189 0.000 1.239 446 F CB -0.281 38.563 39.000 -0.260 0.000 0.991 446 F HN -0.102 nan 8.300 nan 0.000 0.474 447 I N -0.163 120.440 120.570 0.055 0.000 2.194 447 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 447 I C 2.711 178.833 176.117 0.009 0.000 1.093 447 I CA 1.609 62.918 61.300 0.014 0.000 1.355 447 I CB -1.259 36.755 38.000 0.023 0.000 1.046 447 I HN 0.236 nan 8.210 nan 0.000 0.413 448 G N -0.176 108.613 108.800 -0.019 0.000 2.432 448 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.219 448 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.219 448 G C 1.621 176.495 174.900 -0.044 0.000 1.135 448 G CA 0.775 45.856 45.100 -0.032 0.000 0.767 448 G HN 0.388 nan 8.290 nan 0.000 0.550 449 S N -0.081 115.582 115.700 -0.062 0.000 2.603 449 S HA 0.311 4.781 4.470 -0.000 0.000 0.220 449 S C 1.890 176.470 174.600 -0.034 0.000 0.967 449 S CA 0.878 59.036 58.200 -0.070 0.000 0.920 449 S CB -0.001 63.128 63.200 -0.118 0.000 0.773 449 S HN 1.165 nan 8.310 nan 0.000 0.529 450 G N 1.256 110.046 108.800 -0.017 0.000 2.176 450 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 450 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 450 G C 0.210 175.066 174.900 -0.073 0.000 0.979 450 G CA 0.204 45.295 45.100 -0.014 0.000 0.641 450 G HN 0.511 nan 8.290 nan 0.000 0.530 451 S N 0.003 115.659 115.700 -0.072 0.000 2.603 451 S HA 0.581 5.051 4.470 -0.000 0.000 0.268 451 S C 0.708 175.077 174.600 -0.384 0.000 1.317 451 S CA 0.228 58.335 58.200 -0.155 0.000 1.012 451 S CB 1.681 64.910 63.200 0.048 0.000 0.926 451 S HN 1.357 nan 8.310 nan 0.000 0.539 452 G N 1.136 109.586 108.800 -0.584 0.000 2.368 452 G HA2 0.595 4.555 3.960 -0.000 0.000 0.320 452 G HA3 0.595 4.555 3.960 -0.000 0.000 0.320 452 G C -0.980 173.730 174.900 -0.317 0.000 1.158 452 G CA -0.609 43.949 45.100 -0.903 0.000 0.912 452 G HN 0.566 nan 8.290 nan 0.000 0.456 453 L N 2.587 123.658 121.223 -0.254 0.000 2.329 453 L HA 0.518 4.858 4.340 -0.000 0.000 0.279 453 L C -0.294 176.689 176.870 0.188 0.000 1.014 453 L CA -0.805 54.019 54.840 -0.026 0.000 0.814 453 L CB 2.222 44.207 42.059 -0.123 0.000 1.257 453 L HN 0.339 nan 8.230 nan 0.000 0.424 454 I N 4.604 125.314 120.570 0.233 0.000 2.330 454 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 454 I C -0.347 175.907 176.117 0.229 0.000 1.025 454 I CA -0.188 61.268 61.300 0.261 0.000 1.197 454 I CB 1.292 39.429 38.000 0.228 0.000 1.358 454 I HN 0.430 nan 8.210 nan 0.000 0.467 455 I N 9.086 129.804 120.570 0.248 0.000 2.330 455 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 455 I C -1.252 174.968 176.117 0.172 0.000 1.025 455 I CA -1.650 59.813 61.300 0.271 0.000 1.197 455 I CB 1.349 39.593 38.000 0.407 0.000 1.358 455 I HN 0.369 nan 8.210 nan 0.000 0.467 456 P HA -0.079 nan 4.420 nan 0.000 0.223 456 P C -0.212 177.105 177.300 0.029 0.000 1.144 456 P CA 1.314 64.440 63.100 0.042 0.000 0.783 456 P CB 0.403 32.105 31.700 0.003 0.000 0.771 457 D N -1.192 119.244 120.400 0.060 0.000 2.602 457 D HA 0.190 4.830 4.640 -0.000 0.000 0.236 457 D C -0.045 176.373 176.300 0.197 0.000 1.209 457 D CA -0.545 53.496 54.000 0.069 0.000 0.831 457 D CB 1.825 42.633 40.800 0.013 0.000 1.478 457 D HN -0.031 nan 8.370 nan 0.000 0.438 458 Q N 0.104 119.928 119.800 0.040 0.000 2.318 458 Q HA 0.380 4.720 4.340 -0.000 0.000 0.222 458 Q C -0.595 175.432 176.000 0.044 0.000 1.003 458 Q CA -0.577 55.116 55.803 -0.184 0.000 0.936 458 Q CB 1.088 29.637 28.738 -0.315 0.000 1.204 458 Q HN 0.420 nan 8.270 nan 0.000 0.524 459 W N -0.451 120.861 121.300 0.020 0.000 2.570 459 W HA 0.432 5.092 4.660 -0.000 0.000 0.337 459 W C -0.357 176.166 176.519 0.006 0.000 1.067 459 W CA -1.103 56.216 57.345 -0.043 0.000 1.229 459 W CB 0.446 29.722 29.460 -0.307 0.000 1.355 459 W HN 0.275 nan 8.180 nan 0.000 0.555 460 E N 2.072 122.426 120.200 0.257 0.000 2.481 460 E HA -0.119 4.231 4.350 -0.000 0.000 0.263 460 E C 0.869 177.595 176.600 0.209 0.000 0.992 460 E CA 0.486 56.985 56.400 0.164 0.000 0.938 460 E CB 0.432 30.212 29.700 0.133 0.000 0.933 460 E HN 0.495 nan 8.360 nan 0.000 0.453 461 D N 1.726 122.201 120.400 0.124 0.000 2.228 461 D HA -0.195 4.445 4.640 -0.000 0.000 0.203 461 D C 1.105 177.485 176.300 0.134 0.000 0.988 461 D CA 1.507 55.585 54.000 0.129 0.000 0.864 461 D CB -0.172 40.669 40.800 0.069 0.000 0.928 461 D HN 0.559 nan 8.370 nan 0.000 0.469 462 D N 0.004 120.469 120.400 0.108 0.000 2.350 462 D HA -0.106 4.534 4.640 -0.000 0.000 0.216 462 D C 1.187 177.531 176.300 0.075 0.000 0.968 462 D CA 0.819 54.866 54.000 0.079 0.000 0.894 462 D CB -0.113 40.723 40.800 0.060 0.000 0.909 462 D HN 0.103 nan 8.370 nan 0.000 0.520 463 K N -0.721 119.745 120.400 0.111 0.000 2.402 463 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 463 K C 0.696 177.276 176.600 -0.034 0.000 1.056 463 K CA 0.174 56.478 56.287 0.029 0.000 1.069 463 K CB 0.519 33.021 32.500 0.004 0.000 0.888 463 K HN -0.022 nan 8.250 nan 0.000 0.546 464 D N 1.668 122.172 120.400 0.172 0.000 2.239 464 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 464 D C 1.721 178.044 176.300 0.038 0.000 0.993 464 D CA 1.870 56.031 54.000 0.269 0.000 0.874 464 D CB 0.192 41.222 40.800 0.383 0.000 0.922 464 D HN 0.153 nan 8.370 nan 0.000 0.464 465 S N -1.157 114.546 115.700 0.006 0.000 2.453 465 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 465 S C 1.975 176.527 174.600 -0.079 0.000 1.005 465 S CA 0.737 58.926 58.200 -0.019 0.000 0.949 465 S CB -0.253 62.946 63.200 -0.001 0.000 0.774 465 S HN 0.158 nan 8.310 nan 0.000 0.510 466 V N 1.265 121.090 119.914 -0.148 0.000 3.217 466 V HA 0.140 4.260 4.120 -0.000 0.000 0.264 466 V C 0.625 176.572 176.094 -0.245 0.000 1.135 466 V CA 0.418 62.610 62.300 -0.180 0.000 1.142 466 V CB -0.621 31.082 31.823 -0.200 0.000 0.754 466 V HN 0.427 nan 8.190 nan 0.000 0.484 467 V N 0.449 120.171 119.914 -0.320 0.000 2.448 467 V HA 0.689 4.809 4.120 -0.000 0.000 0.295 467 V C 0.664 176.668 176.094 -0.150 0.000 1.025 467 V CA -0.583 61.512 62.300 -0.342 0.000 0.859 467 V CB 1.281 32.653 31.823 -0.752 0.000 0.988 467 V HN 0.294 nan 8.190 nan 0.000 0.431 468 G N 3.632 112.373 108.800 -0.099 0.000 2.361 468 G HA2 0.271 4.231 3.960 -0.000 0.000 0.260 468 G HA3 0.271 4.231 3.960 -0.000 0.000 0.260 468 G C 0.870 175.770 174.900 -0.001 0.000 1.261 468 G CA -0.440 44.639 45.100 -0.035 0.000 0.897 468 G HN 0.812 nan 8.290 nan 0.000 0.499 469 K N 2.181 122.598 120.400 0.028 0.000 2.555 469 K HA -0.077 4.243 4.320 -0.000 0.000 0.193 469 K C 0.829 177.428 176.600 -0.003 0.000 1.032 469 K CA 0.026 56.337 56.287 0.041 0.000 1.004 469 K CB -0.080 32.451 32.500 0.052 0.000 0.804 469 K HN 0.492 nan 8.250 nan 0.000 0.496 470 Q N 2.708 122.512 119.800 0.005 0.000 2.239 470 Q HA -0.024 4.316 4.340 -0.000 0.000 0.286 470 Q C -0.650 175.349 176.000 -0.001 0.000 1.102 470 Q CA 0.846 56.656 55.803 0.012 0.000 0.936 470 Q CB -0.475 28.282 28.738 0.032 0.000 1.127 470 Q HN 0.441 nan 8.270 nan 0.000 0.380 471 N N 1.587 120.267 118.700 -0.034 0.000 2.725 471 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 471 N C -1.343 173.981 175.510 -0.309 0.000 1.103 471 N CA 0.341 53.362 53.050 -0.049 0.000 0.707 471 N CB -0.771 37.886 38.487 0.283 0.000 1.043 471 N HN 0.285 nan 8.380 nan 0.000 0.553 472 V N 1.989 121.625 119.914 -0.464 0.000 2.334 472 V HA 0.346 4.466 4.120 -0.000 0.000 0.281 472 V C -0.293 175.521 176.094 -0.467 0.000 1.016 472 V CA -0.420 61.726 62.300 -0.258 0.000 0.832 472 V CB 0.376 32.210 31.823 0.017 0.000 0.999 472 V HN 0.090 nan 8.190 nan 0.000 0.439 473 Y N 4.185 124.552 120.300 0.112 0.000 2.387 473 Y HA 0.541 5.091 4.550 -0.000 0.000 0.336 473 Y C 0.080 175.963 175.900 -0.028 0.000 1.067 473 Y CA -0.948 57.168 58.100 0.026 0.000 1.114 473 Y CB 1.545 39.981 38.460 -0.040 0.000 1.208 473 Y HN 0.355 nan 8.280 nan 0.000 0.458 474 L N 5.299 126.554 121.223 0.053 0.000 2.272 474 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 474 L C -1.308 175.528 176.870 -0.056 0.000 1.032 474 L CA -0.938 53.889 54.840 -0.022 0.000 0.810 474 L CB 1.074 43.101 42.059 -0.052 0.000 1.205 474 L HN 0.654 nan 8.230 nan 0.000 0.422 475 L N 5.681 126.875 121.223 -0.049 0.000 2.259 475 L HA 0.493 4.833 4.340 -0.000 0.000 0.288 475 L C -0.958 175.883 176.870 -0.049 0.000 1.051 475 L CA 0.490 55.292 54.840 -0.064 0.000 0.824 475 L CB 0.959 42.998 42.059 -0.032 0.000 1.206 475 L HN 0.700 nan 8.230 nan 0.000 0.429 476 D N 0.673 121.043 120.400 -0.050 0.000 2.671 476 D HA 0.297 4.937 4.640 -0.000 0.000 0.273 476 D C 0.613 176.896 176.300 -0.029 0.000 1.264 476 D CA 0.353 54.330 54.000 -0.038 0.000 0.788 476 D CB 1.657 42.430 40.800 -0.044 0.000 1.324 476 D HN 0.482 nan 8.370 nan 0.000 0.424 477 T N -1.702 112.839 114.554 -0.022 0.000 3.067 477 T HA 0.123 4.473 4.350 -0.000 0.000 0.261 477 T C 1.183 175.877 174.700 -0.011 0.000 1.110 477 T CA 0.340 62.432 62.100 -0.014 0.000 1.113 477 T CB -0.084 68.777 68.868 -0.011 0.000 0.917 477 T HN 0.235 nan 8.240 nan 0.000 0.499 478 S N 1.745 117.435 115.700 -0.016 0.000 2.572 478 S HA 0.125 4.595 4.470 -0.000 0.000 0.267 478 S C 1.706 176.303 174.600 -0.005 0.000 1.361 478 S CA 0.060 58.253 58.200 -0.012 0.000 1.009 478 S CB 0.687 63.877 63.200 -0.017 0.000 0.888 478 S HN 0.584 nan 8.310 nan 0.000 0.553 479 S N 1.423 117.123 115.700 0.001 0.000 2.461 479 S HA -0.038 4.432 4.470 -0.000 0.000 0.228 479 S C 1.511 176.119 174.600 0.012 0.000 1.005 479 S CA 0.721 58.926 58.200 0.008 0.000 0.942 479 S CB -0.604 62.603 63.200 0.011 0.000 0.776 479 S HN 0.962 nan 8.310 nan 0.000 0.514 480 S N 0.978 116.682 115.700 0.007 0.000 2.634 480 S HA 0.618 5.088 4.470 -0.000 0.000 0.221 480 S C 0.503 175.106 174.600 0.006 0.000 0.952 480 S CA -0.236 57.971 58.200 0.011 0.000 0.930 480 S CB -0.314 62.890 63.200 0.007 0.000 0.780 480 S HN 0.686 nan 8.310 nan 0.000 0.498 481 A N 1.256 124.073 122.820 -0.004 0.000 2.331 481 A HA 0.400 4.720 4.320 -0.000 0.000 0.283 481 A C 0.863 178.439 177.584 -0.014 0.000 1.142 481 A CA -0.559 51.466 52.037 -0.021 0.000 0.812 481 A CB 0.344 19.322 19.000 -0.037 0.000 1.074 481 A HN 0.349 nan 8.150 nan 0.000 0.497 482 D N 1.300 121.690 120.400 -0.017 0.000 2.144 482 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 482 D C 0.138 176.309 176.300 -0.215 0.000 0.978 482 D CA 1.585 55.585 54.000 -0.000 0.000 0.833 482 D CB 0.157 41.036 40.800 0.131 0.000 0.961 482 D HN 0.561 nan 8.370 nan 0.000 0.470 483 I N 1.497 121.878 120.570 -0.315 0.000 2.464 483 I HA 0.119 4.289 4.170 -0.000 0.000 0.277 483 I C -0.090 175.940 176.117 -0.145 0.000 1.040 483 I CA -0.447 60.636 61.300 -0.363 0.000 1.153 483 I CB 1.679 39.366 38.000 -0.523 0.000 1.274 483 I HN -0.242 nan 8.210 nan 0.000 0.469 484 Q N 6.008 125.766 119.800 -0.070 0.000 2.288 484 Q HA 0.465 4.805 4.340 -0.000 0.000 0.258 484 Q C -1.019 174.972 176.000 -0.015 0.000 0.957 484 Q CA -0.369 55.417 55.803 -0.030 0.000 0.919 484 Q CB 1.223 29.959 28.738 -0.004 0.000 1.185 484 Q HN 0.601 nan 8.270 nan 0.000 0.408 485 L N 3.105 124.320 121.223 -0.013 0.000 2.379 485 L HA 0.164 4.504 4.340 -0.000 0.000 0.269 485 L C 1.155 178.030 176.870 0.008 0.000 1.084 485 L CA -0.360 54.480 54.840 0.001 0.000 0.802 485 L CB 1.171 43.228 42.059 -0.004 0.000 1.175 485 L HN 0.781 nan 8.230 nan 0.000 0.448 486 E N 1.116 121.328 120.200 0.020 0.000 2.031 486 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 486 E C 0.096 176.703 176.600 0.012 0.000 0.994 486 E CA 1.140 57.553 56.400 0.022 0.000 0.800 486 E CB 0.327 30.051 29.700 0.039 0.000 0.752 486 E HN 0.653 nan 8.360 nan 0.000 0.447 487 S N -2.400 113.304 115.700 0.007 0.000 2.588 487 S HA 0.686 5.156 4.470 -0.000 0.000 0.275 487 S C 0.547 175.141 174.600 -0.010 0.000 1.130 487 S CA -0.485 57.713 58.200 -0.003 0.000 0.855 487 S CB 1.382 64.579 63.200 -0.006 0.000 1.116 487 S HN 0.147 nan 8.310 nan 0.000 0.472 488 A N 0.678 123.490 122.820 -0.013 0.000 2.067 488 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 488 A C 1.257 178.828 177.584 -0.023 0.000 1.158 488 A CA 1.562 53.589 52.037 -0.017 0.000 0.661 488 A CB -0.739 18.251 19.000 -0.017 0.000 0.801 488 A HN 0.907 nan 8.150 nan 0.000 0.452 489 D N -0.651 119.733 120.400 -0.027 0.000 2.501 489 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 489 D C 0.206 176.474 176.300 -0.054 0.000 1.198 489 D CA -0.383 53.594 54.000 -0.037 0.000 0.830 489 D CB -0.711 40.068 40.800 -0.036 0.000 1.014 489 D HN 0.497 nan 8.370 nan 0.000 0.496 490 E N 2.326 122.498 120.200 -0.046 0.000 2.502 490 E HA 0.035 4.385 4.350 -0.000 0.000 0.261 490 E C -1.910 174.622 176.600 -0.115 0.000 0.974 490 E CA -1.306 55.053 56.400 -0.067 0.000 0.936 490 E CB 0.620 30.313 29.700 -0.011 0.000 0.926 490 E HN 0.072 nan 8.360 nan 0.000 0.459 491 P HA -0.081 nan 4.420 nan 0.000 0.265 491 P C 0.834 178.055 177.300 -0.133 0.000 1.193 491 P CA 0.362 63.313 63.100 -0.248 0.000 0.765 491 P CB 0.639 32.072 31.700 -0.445 0.000 0.823 492 I N 2.211 122.737 120.570 -0.073 0.000 2.113 492 I HA -0.389 3.781 4.170 -0.000 0.000 0.242 492 I C 2.565 178.692 176.117 0.016 0.000 1.057 492 I CA 2.686 63.968 61.300 -0.029 0.000 1.314 492 I CB -1.010 36.965 38.000 -0.042 0.000 1.022 492 I HN 0.450 nan 8.210 nan 0.000 0.408 493 S N -0.224 115.502 115.700 0.043 0.000 2.402 493 S HA -0.268 4.202 4.470 -0.000 0.000 0.233 493 S C 1.828 176.530 174.600 0.170 0.000 1.030 493 S CA 1.514 59.770 58.200 0.094 0.000 1.003 493 S CB -1.035 62.235 63.200 0.117 0.000 0.813 493 S HN 0.564 nan 8.310 nan 0.000 0.477 494 H N 0.996 120.059 119.070 -0.012 0.000 2.333 494 H HA 0.113 4.669 4.556 -0.000 0.000 0.302 494 H C 2.201 177.530 175.328 0.002 0.000 1.075 494 H CA 1.449 57.495 56.048 -0.003 0.000 1.348 494 H CB -0.145 29.614 29.762 -0.005 0.000 1.393 494 H HN 0.392 nan 8.280 nan 0.000 0.509 495 I N 0.615 121.266 120.570 0.135 0.000 2.226 495 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 495 I C 2.434 178.586 176.117 0.059 0.000 1.100 495 I CA 0.737 62.078 61.300 0.069 0.000 1.374 495 I CB -0.217 37.800 38.000 0.029 0.000 1.057 495 I HN 0.057 nan 8.210 nan 0.000 0.413 496 V N 0.464 120.404 119.914 0.043 0.000 2.332 496 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 496 V C 2.494 178.636 176.094 0.081 0.000 1.055 496 V CA 1.964 64.280 62.300 0.027 0.000 1.038 496 V CB -0.724 31.085 31.823 -0.024 0.000 0.651 496 V HN 0.500 nan 8.190 nan 0.000 0.450 497 Q N -0.319 119.523 119.800 0.071 0.000 2.084 497 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 497 Q C 2.380 178.440 176.000 0.100 0.000 0.978 497 Q CA 1.552 57.398 55.803 0.073 0.000 0.844 497 Q CB -0.011 28.738 28.738 0.018 0.000 0.898 497 Q HN 0.609 nan 8.270 nan 0.000 0.426 498 K N -0.526 119.928 120.400 0.090 0.000 2.057 498 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 498 K C 2.043 178.734 176.600 0.152 0.000 1.049 498 K CA 1.420 57.767 56.287 0.100 0.000 0.931 498 K CB -0.004 32.535 32.500 0.065 0.000 0.714 498 K HN 0.088 nan 8.250 nan 0.000 0.440 499 V N 1.032 121.039 119.914 0.154 0.000 2.358 499 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 499 V C 2.303 178.618 176.094 0.367 0.000 1.047 499 V CA 1.356 63.785 62.300 0.216 0.000 1.035 499 V CB -0.288 31.670 31.823 0.224 0.000 0.658 499 V HN 0.071 nan 8.190 nan 0.000 0.452 500 V N -0.093 120.062 119.914 0.401 0.000 2.261 500 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 500 V C 2.305 178.633 176.094 0.390 0.000 1.047 500 V CA 2.066 64.684 62.300 0.531 0.000 1.015 500 V CB -0.489 31.601 31.823 0.444 0.000 0.642 500 V HN 0.445 nan 8.190 nan 0.000 0.446 501 L N -1.230 120.139 121.223 0.245 0.000 2.201 501 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 501 L C 2.336 179.303 176.870 0.162 0.000 1.105 501 L CA 1.593 56.532 54.840 0.166 0.000 0.775 501 L CB -0.588 41.531 42.059 0.100 0.000 0.913 501 L HN 0.409 nan 8.230 nan 0.000 0.440 502 F N 0.836 120.812 119.950 0.044 0.000 2.113 502 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 502 F C 2.186 177.942 175.800 -0.073 0.000 1.103 502 F CA 1.464 59.446 58.000 -0.029 0.000 1.248 502 F CB -0.131 38.828 39.000 -0.069 0.000 0.999 502 F HN -0.153 nan 8.300 nan 0.000 0.475 503 L N 0.233 121.474 121.223 0.031 0.000 2.083 503 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 503 L C 2.613 179.433 176.870 -0.084 0.000 1.083 503 L CA 1.543 56.255 54.840 -0.213 0.000 0.752 503 L CB -0.759 41.037 42.059 -0.438 0.000 0.899 503 L HN 0.265 nan 8.230 nan 0.000 0.433 504 E N 0.298 120.581 120.200 0.137 0.000 2.072 504 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 504 E C 1.574 178.179 176.600 0.007 0.000 0.985 504 E CA 1.516 58.033 56.400 0.195 0.000 0.801 504 E CB 0.081 29.959 29.700 0.296 0.000 0.750 504 E HN 0.394 nan 8.360 nan 0.000 0.452 505 D N 0.321 120.675 120.400 -0.076 0.000 2.178 505 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 505 D C 0.767 176.930 176.300 -0.228 0.000 0.980 505 D CA 0.855 54.771 54.000 -0.140 0.000 0.842 505 D CB -0.198 40.508 40.800 -0.156 0.000 0.948 505 D HN 0.076 nan 8.370 nan 0.000 0.472 506 N N -0.938 117.561 118.700 -0.337 0.000 2.322 506 N HA 0.276 5.016 4.740 -0.000 0.000 0.216 506 N C 0.911 176.168 175.510 -0.422 0.000 1.144 506 N CA 0.574 53.406 53.050 -0.364 0.000 0.830 506 N CB 0.808 39.043 38.487 -0.420 0.000 1.034 506 N HN 0.187 nan 8.380 nan 0.000 0.484 507 G N -0.146 108.476 108.800 -0.296 0.000 2.189 507 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.267 507 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.267 507 G C 0.798 175.480 174.900 -0.362 0.000 0.975 507 G CA 0.356 45.274 45.100 -0.304 0.000 0.644 507 G HN 0.413 nan 8.290 nan 0.000 0.537 508 F N -0.653 119.109 119.950 -0.314 0.000 2.293 508 F HA 0.314 4.841 4.527 -0.000 0.000 0.300 508 F C 1.154 176.718 175.800 -0.395 0.000 1.086 508 F CA 0.857 58.614 58.000 -0.405 0.000 1.375 508 F CB -0.033 38.530 39.000 -0.728 0.000 1.045 508 F HN 0.121 nan 8.300 nan 0.000 0.516 509 F N -0.893 119.067 119.950 0.017 0.000 2.520 509 F HA 0.596 5.123 4.527 -0.000 0.000 0.322 509 F C -0.356 175.241 175.800 -0.339 0.000 1.103 509 F CA -2.072 55.803 58.000 -0.208 0.000 0.926 509 F CB 1.417 40.313 39.000 -0.174 0.000 1.154 509 F HN -0.575 nan 8.300 nan 0.000 0.453 510 V N 4.039 123.714 119.914 -0.397 0.000 2.623 510 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 510 V C -0.824 174.922 176.094 -0.580 0.000 1.054 510 V CA -0.876 61.240 62.300 -0.306 0.000 0.882 510 V CB 1.658 33.396 31.823 -0.143 0.000 1.002 510 V HN 0.536 nan 8.190 nan 0.000 0.424 511 F N 0.000 119.924 119.950 -0.044 0.000 2.286 511 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 511 F CA 0.000 57.964 58.000 -0.061 0.000 1.383 511 F CB 0.000 38.929 39.000 -0.118 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574