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 1ide_1_A DATA FIRST_RESID 3 DATA SEQUENCE SKVVVPAQGK KITLQNGKLN VPENPIIPYI EGDGIGVDVT PAMLKVVDAA DATA SEQUENCE VEKAYKGERK ISWMEIYTGE KSTQVYGQDV WLPAETLDLI REYRVAIKGP DATA SEQUENCE LTTPVGGGIR SLNVALRQEL DLYICLRPVR YYQGTPSPVK HPELTDMVIF DATA SEQUENCE RENSEDIFAG IEWKADSADA EKVIKFLREE MGVKKIRFPE HCGIGIKPCS DATA SEQUENCE EEGTKRLVRA AIEYAIANDR DSVTLVHKGN IMKFTEGAFK DWGYQLAREE DATA SEQUENCE FGGELIDGGP WLKVKNPNTG KEIVIKDVIA DAFLQQILLR PAEYDVIACM DATA SEQUENCE NLNGDYISDA LAAQVGGIGI APGANIGDEC ALFEATHGTA PKYAGQDKVN DATA SEQUENCE PGSIILSAEM MLRHMGWTEA ADLIVKGMEG AINAKTVTYD FERLMDGAKL DATA SEQUENCE LKCSEFGDAI IENM 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.582 174.600 -0.031 0.000 1.055 3 S CA 0.000 58.185 58.200 -0.026 0.000 1.107 3 S CB 0.000 63.266 63.200 0.110 0.000 0.593 4 K N 0.149 120.483 120.400 -0.110 0.000 2.557 4 K HA 0.431 nan 4.320 nan 0.000 0.257 4 K C -1.701 174.888 176.600 -0.019 0.000 0.933 4 K CA -0.628 55.632 56.287 -0.044 0.000 0.820 4 K CB 2.213 34.689 32.500 -0.041 0.000 1.330 4 K HN -0.085 8.007 8.250 -0.264 0.000 0.432 5 V N 2.082 122.014 119.914 0.030 0.000 2.444 5 V HA 0.298 nan 4.120 nan 0.000 0.294 5 V C -1.412 174.679 176.094 -0.005 0.000 1.022 5 V CA -1.119 61.204 62.300 0.037 0.000 0.850 5 V CB 2.085 33.906 31.823 -0.003 0.000 0.992 5 V HN 0.243 8.523 8.190 0.030 -0.072 0.426 6 V N 8.797 128.711 119.914 -0.001 0.000 2.403 6 V HA 0.011 nan 4.120 nan 0.000 0.265 6 V C -0.261 175.819 176.094 -0.023 0.000 1.034 6 V CA -0.219 62.079 62.300 -0.003 0.000 1.036 6 V CB -1.554 30.276 31.823 0.011 0.000 1.032 6 V HN 0.187 8.389 8.190 0.020 0.000 0.478 7 V N 5.041 124.941 119.914 -0.023 0.000 2.637 7 V HA 0.401 nan 4.120 nan 0.000 0.296 7 V C -1.365 174.731 176.094 0.004 0.000 1.046 7 V CA -3.923 58.355 62.300 -0.038 0.000 1.066 7 V CB -0.341 31.482 31.823 0.000 0.000 0.968 7 V HN -0.179 8.007 8.190 -0.006 0.000 0.483 8 P HA 0.139 nan 4.420 nan 0.000 0.276 8 P C -0.239 177.087 177.300 0.042 0.000 1.235 8 P CA -0.478 62.643 63.100 0.034 0.000 0.772 8 P CB 0.773 32.500 31.700 0.045 0.000 0.871 9 A N 5.146 127.989 122.820 0.038 0.000 2.209 9 A HA -0.149 nan 4.320 nan 0.000 0.212 9 A C 0.992 178.598 177.584 0.035 0.000 1.158 9 A CA 2.186 54.245 52.037 0.036 0.000 0.742 9 A CB -0.775 18.243 19.000 0.030 0.000 0.790 9 A HN 0.487 8.659 8.150 0.036 0.000 0.472 10 Q N -2.468 117.354 119.800 0.037 0.000 2.389 10 Q HA -0.031 nan 4.340 nan 0.000 0.204 10 Q C 0.024 176.042 176.000 0.030 0.000 0.944 10 Q CA 0.500 56.323 55.803 0.033 0.000 0.908 10 Q CB 0.213 28.973 28.738 0.036 0.000 1.002 10 Q HN 0.299 8.522 8.270 0.040 0.072 0.493 11 G N -2.230 106.592 108.800 0.037 0.000 3.108 11 G HA2 0.388 nan 3.960 nan 0.000 0.268 11 G HA3 0.388 nan 3.960 nan 0.000 0.268 11 G C -2.189 172.740 174.900 0.048 0.000 1.361 11 G CA -0.791 44.330 45.100 0.036 0.000 1.047 11 G HN -0.860 7.457 8.290 0.045 0.000 0.540 12 K N -0.480 119.944 120.400 0.041 0.000 2.422 12 K HA 0.324 nan 4.320 nan 0.000 0.251 12 K C -0.551 176.065 176.600 0.028 0.000 0.933 12 K CA -2.456 53.851 56.287 0.032 0.000 0.798 12 K CB 3.692 36.199 32.500 0.012 0.000 1.238 12 K HN 0.341 8.610 8.250 0.032 0.000 0.428 13 K N 1.645 122.041 120.400 -0.008 0.000 2.380 13 K HA -0.102 nan 4.320 nan 0.000 0.267 13 K C -0.345 176.209 176.600 -0.076 0.000 0.990 13 K CA 0.484 56.717 56.287 -0.089 0.000 0.946 13 K CB 0.464 32.816 32.500 -0.247 0.000 0.937 13 K HN 0.187 8.429 8.250 -0.014 0.000 0.491 14 I N 1.166 121.687 120.570 -0.082 0.000 2.532 14 I HA 0.063 nan 4.170 nan 0.000 0.292 14 I C -0.360 175.710 176.117 -0.080 0.000 1.014 14 I CA -0.045 61.215 61.300 -0.067 0.000 1.340 14 I CB 1.423 39.388 38.000 -0.057 0.000 1.422 14 I HN 0.247 8.405 8.210 -0.086 0.000 0.528 15 T N 6.295 120.813 114.554 -0.059 0.000 2.893 15 T HA 0.411 nan 4.350 nan 0.000 0.291 15 T C -1.952 172.725 174.700 -0.039 0.000 1.028 15 T CA -1.240 60.827 62.100 -0.054 0.000 0.995 15 T CB 2.222 71.062 68.868 -0.047 0.000 1.051 15 T HN 0.360 8.570 8.240 -0.049 0.000 0.470 16 L N 2.299 123.504 121.223 -0.030 0.000 2.321 16 L HA 0.366 nan 4.340 nan 0.000 0.272 16 L C -0.471 176.390 176.870 -0.015 0.000 1.050 16 L CA -1.395 53.434 54.840 -0.018 0.000 0.893 16 L CB 0.134 42.190 42.059 -0.005 0.000 1.272 16 L HN 0.348 8.558 8.230 -0.034 0.000 0.435 17 Q N 7.617 127.407 119.800 -0.016 0.000 3.181 17 Q HA 0.019 nan 4.340 nan 0.000 0.293 17 Q C -0.498 175.498 176.000 -0.007 0.000 1.406 17 Q CA -1.866 53.929 55.803 -0.012 0.000 1.026 17 Q CB -1.954 26.776 28.738 -0.013 0.000 1.630 17 Q HN 0.195 8.454 8.270 -0.019 0.000 0.553 18 N N 3.390 122.089 118.700 -0.002 0.000 2.573 18 N HA -0.373 nan 4.740 nan 0.000 0.275 18 N C -0.392 175.121 175.510 0.006 0.000 1.208 18 N CA 0.680 53.732 53.050 0.003 0.000 0.688 18 N CB -0.261 38.226 38.487 0.001 0.000 0.882 18 N HN -0.059 8.257 8.380 -0.003 0.062 0.548 19 G N -0.792 108.014 108.800 0.011 0.000 2.507 19 G HA2 -0.457 nan 3.960 nan 0.000 0.240 19 G HA3 -0.457 nan 3.960 nan 0.000 0.240 19 G C -0.194 174.707 174.900 0.001 0.000 1.119 19 G CA 0.393 45.502 45.100 0.015 0.000 0.664 19 G HN 0.459 8.756 8.290 0.013 0.000 0.516 20 K N 3.613 124.009 120.400 -0.006 0.000 2.258 20 K HA 0.078 nan 4.320 nan 0.000 0.284 20 K C -1.567 175.016 176.600 -0.029 0.000 1.051 20 K CA -1.317 54.961 56.287 -0.017 0.000 0.923 20 K CB 0.403 32.897 32.500 -0.011 0.000 1.046 20 K HN -0.341 7.796 8.250 -0.003 0.111 0.474 21 L N 4.469 125.661 121.223 -0.053 0.000 2.282 21 L HA 0.140 nan 4.340 nan 0.000 0.287 21 L C -0.999 175.838 176.870 -0.054 0.000 1.075 21 L CA -1.039 53.758 54.840 -0.071 0.000 0.839 21 L CB 0.632 42.603 42.059 -0.146 0.000 1.219 21 L HN 0.309 8.502 8.230 -0.062 0.000 0.434 22 N N 8.195 126.873 118.700 -0.038 0.000 2.402 22 N HA 0.031 nan 4.740 nan 0.000 0.252 22 N C -1.738 173.756 175.510 -0.028 0.000 1.118 22 N CA 0.592 53.627 53.050 -0.024 0.000 0.945 22 N CB 0.955 39.430 38.487 -0.021 0.000 1.147 22 N HN 0.600 8.865 8.380 -0.036 0.093 0.495 23 V N 6.521 126.429 119.914 -0.011 0.000 2.328 23 V HA 0.236 nan 4.120 nan 0.000 0.278 23 V C -1.144 174.992 176.094 0.070 0.000 1.021 23 V CA -3.490 58.804 62.300 -0.009 0.000 0.838 23 V CB 0.676 32.457 31.823 -0.069 0.000 0.999 23 V HN 0.048 8.243 8.190 0.008 0.000 0.447 24 P HA 0.103 nan 4.420 nan 0.000 0.280 24 P C -0.435 176.955 177.300 0.150 0.000 1.278 24 P CA -0.668 62.470 63.100 0.064 0.000 0.787 24 P CB 0.888 32.606 31.700 0.029 0.000 1.163 25 E N -3.168 117.080 120.200 0.079 0.000 2.170 25 E HA -0.187 nan 4.350 nan 0.000 0.191 25 E C -0.178 176.488 176.600 0.110 0.000 0.981 25 E CA 2.084 58.508 56.400 0.041 0.000 0.830 25 E CB 0.407 30.073 29.700 -0.057 0.000 0.775 25 E HN 0.152 8.533 8.360 0.036 0.000 0.470 26 N N -1.356 117.393 118.700 0.080 0.000 2.716 26 N HA 0.467 nan 4.740 nan 0.000 0.253 26 N C -3.055 172.472 175.510 0.028 0.000 1.170 26 N CA -3.290 49.795 53.050 0.059 0.000 0.807 26 N CB 0.499 39.001 38.487 0.025 0.000 1.183 26 N HN -0.236 8.178 8.380 0.057 0.000 0.524 27 P HA 0.516 nan 4.420 nan 0.000 0.283 27 P C -1.732 175.526 177.300 -0.071 0.000 1.271 27 P CA -1.351 61.720 63.100 -0.047 0.000 0.841 27 P CB 1.687 33.308 31.700 -0.131 0.000 1.122 28 I N 0.478 121.060 120.570 0.020 0.000 2.312 28 I HA 0.274 nan 4.170 nan 0.000 0.290 28 I C -0.973 175.177 176.117 0.054 0.000 1.008 28 I CA -0.036 61.294 61.300 0.051 0.000 1.226 28 I CB 1.064 39.177 38.000 0.188 0.000 1.371 28 I HN -0.459 7.793 8.210 0.070 0.000 0.468 29 I N 7.773 128.310 120.570 -0.055 0.000 2.382 29 I HA 0.459 nan 4.170 nan 0.000 0.286 29 I C -2.557 173.652 176.117 0.154 0.000 1.002 29 I CA -4.901 56.395 61.300 -0.007 0.000 1.135 29 I CB 1.599 39.472 38.000 -0.212 0.000 1.288 29 I HN -0.136 8.006 8.210 -0.114 0.000 0.448 30 P HA 0.516 nan 4.420 nan 0.000 0.278 30 P C -2.246 175.189 177.300 0.224 0.000 1.238 30 P CA -0.775 62.373 63.100 0.081 0.000 0.794 30 P CB 0.222 31.890 31.700 -0.052 0.000 0.955 31 Y N -1.087 119.255 120.300 0.070 0.000 2.406 31 Y HA 0.757 nan 4.550 nan 0.000 0.340 31 Y C -2.246 173.618 175.900 -0.060 0.000 0.975 31 Y CA -2.705 55.413 58.100 0.031 0.000 1.056 31 Y CB 2.966 41.417 38.460 -0.015 0.000 1.210 31 Y HN 0.616 8.823 8.280 -0.123 0.000 0.448 32 I N 4.149 124.732 120.570 0.022 0.000 2.321 32 I HA 0.124 nan 4.170 nan 0.000 0.291 32 I C -0.121 176.058 176.117 0.104 0.000 0.998 32 I CA -0.570 60.700 61.300 -0.051 0.000 1.227 32 I CB 0.872 38.870 38.000 -0.004 0.000 1.368 32 I HN 0.636 8.916 8.210 0.117 0.000 0.466 33 E N 8.866 129.132 120.200 0.110 0.000 2.007 33 E HA -0.293 nan 4.350 nan 0.000 0.194 33 E C -0.624 176.046 176.600 0.117 0.000 0.999 33 E CA 2.604 59.116 56.400 0.188 0.000 0.811 33 E CB 0.685 30.500 29.700 0.193 0.000 0.762 33 E HN 0.729 9.088 8.360 -0.002 0.000 0.450 34 G N -3.592 105.271 108.800 0.106 0.000 2.355 34 G HA2 -0.169 nan 3.960 nan 0.000 0.619 34 G HA3 -0.169 nan 3.960 nan 0.000 0.619 34 G C -1.927 173.032 174.900 0.098 0.000 1.337 34 G CA -0.735 44.422 45.100 0.093 0.000 0.993 34 G HN -0.286 8.071 8.290 0.113 0.000 0.599 35 D N 0.946 121.403 120.400 0.095 0.000 2.269 35 D HA 0.384 nan 4.640 nan 0.000 0.244 35 D C 0.617 176.969 176.300 0.087 0.000 0.992 35 D CA -0.908 53.149 54.000 0.094 0.000 0.894 35 D CB 2.465 43.327 40.800 0.102 0.000 1.248 35 D HN 0.202 8.628 8.370 0.092 0.000 0.468 36 G N 0.641 109.487 108.800 0.078 0.000 2.583 36 G HA2 -0.410 nan 3.960 nan 0.000 0.292 36 G HA3 -0.410 nan 3.960 nan 0.000 0.292 36 G C 1.199 176.146 174.900 0.079 0.000 1.203 36 G CA 0.933 46.079 45.100 0.077 0.000 0.987 36 G HN 0.286 8.621 8.290 0.075 0.000 0.554 37 I N 1.365 121.988 120.570 0.089 0.000 3.102 37 I HA -0.219 nan 4.170 nan 0.000 0.278 37 I C 1.737 177.899 176.117 0.074 0.000 1.316 37 I CA 1.415 62.763 61.300 0.080 0.000 1.425 37 I CB -0.917 37.129 38.000 0.077 0.000 1.073 37 I HN -0.321 7.863 8.210 0.100 0.086 0.503 38 G N 1.754 110.602 108.800 0.080 0.000 2.469 38 G HA2 -0.398 nan 3.960 nan 0.000 0.220 38 G HA3 -0.398 nan 3.960 nan 0.000 0.220 38 G C 0.135 175.069 174.900 0.057 0.000 1.136 38 G CA 2.236 47.380 45.100 0.073 0.000 0.759 38 G HN -0.119 8.074 8.290 0.087 0.150 0.562 39 V N -1.055 118.894 119.914 0.058 0.000 2.759 39 V HA -0.226 nan 4.120 nan 0.000 0.256 39 V C 0.187 176.297 176.094 0.027 0.000 1.080 39 V CA 2.631 64.959 62.300 0.046 0.000 1.101 39 V CB -0.377 31.476 31.823 0.050 0.000 0.698 39 V HN -0.248 7.961 8.190 0.065 0.021 0.477 40 D N -1.405 119.014 120.400 0.031 0.000 2.297 40 D HA -0.026 nan 4.640 nan 0.000 0.233 40 D C 2.046 178.350 176.300 0.005 0.000 1.056 40 D CA 1.803 55.816 54.000 0.020 0.000 0.938 40 D CB 0.231 41.050 40.800 0.032 0.000 1.048 40 D HN -0.278 7.873 8.370 0.042 0.244 0.442 41 V N 1.286 121.212 119.914 0.020 0.000 2.233 41 V HA -0.543 nan 4.120 nan 0.000 0.256 41 V C 2.079 178.151 176.094 -0.036 0.000 1.069 41 V CA 4.353 66.662 62.300 0.014 0.000 1.054 41 V CB -0.663 31.195 31.823 0.059 0.000 0.664 41 V HN -0.107 8.105 8.190 0.036 0.000 0.453 42 T N 0.035 114.558 114.554 -0.053 0.000 2.597 42 T HA -0.213 nan 4.350 nan 0.000 0.267 42 T C -0.415 174.149 174.700 -0.226 0.000 1.053 42 T CA 6.167 68.180 62.100 -0.144 0.000 1.165 42 T CB -2.306 66.493 68.868 -0.116 0.000 0.863 42 T HN -0.172 8.058 8.240 -0.017 0.000 0.427 43 P HA -0.165 nan 4.420 nan 0.000 0.219 43 P C 0.553 177.759 177.300 -0.156 0.000 1.146 43 P CA 2.817 65.807 63.100 -0.184 0.000 0.808 43 P CB -0.578 31.059 31.700 -0.106 0.000 0.779 44 A N -1.964 120.791 122.820 -0.109 0.000 1.898 44 A HA -0.225 nan 4.320 nan 0.000 0.216 44 A C 1.959 179.475 177.584 -0.113 0.000 1.181 44 A CA 2.984 54.971 52.037 -0.082 0.000 0.620 44 A CB -0.823 18.156 19.000 -0.035 0.000 0.819 44 A HN -0.428 7.559 8.150 -0.088 0.110 0.442 45 M N -0.286 119.228 119.600 -0.144 0.000 2.065 45 M HA -0.367 nan 4.480 nan 0.000 0.259 45 M C 2.020 178.193 176.300 -0.211 0.000 1.071 45 M CA 2.998 58.201 55.300 -0.162 0.000 1.109 45 M CB -0.359 32.129 32.600 -0.186 0.000 1.313 45 M HN -0.561 7.576 8.290 -0.137 0.071 0.408 46 L N -3.319 117.664 121.223 -0.401 0.000 2.081 46 L HA -0.538 nan 4.340 nan 0.000 0.212 46 L C 2.045 178.829 176.870 -0.144 0.000 1.080 46 L CA 3.081 57.624 54.840 -0.495 0.000 0.754 46 L CB -1.220 40.379 42.059 -0.767 0.000 0.893 46 L HN -0.105 7.850 8.230 -0.458 0.000 0.433 47 K N -0.344 119.979 120.400 -0.128 0.000 2.002 47 K HA -0.307 nan 4.320 nan 0.000 0.209 47 K C 2.418 179.010 176.600 -0.013 0.000 1.048 47 K CA 3.629 59.885 56.287 -0.051 0.000 0.930 47 K CB 0.097 32.559 32.500 -0.063 0.000 0.714 47 K HN -0.632 7.494 8.250 -0.169 0.022 0.438 48 V N -4.351 115.543 119.914 -0.034 0.000 2.515 48 V HA -0.187 nan 4.120 nan 0.000 0.250 48 V C 1.868 177.985 176.094 0.038 0.000 1.058 48 V CA 3.293 65.580 62.300 -0.021 0.000 1.064 48 V CB -0.992 30.792 31.823 -0.064 0.000 0.675 48 V HN -0.356 7.795 8.190 -0.064 0.000 0.461 49 V N 2.225 122.191 119.914 0.086 0.000 2.270 49 V HA -0.458 nan 4.120 nan 0.000 0.245 49 V C 1.948 178.176 176.094 0.223 0.000 1.043 49 V CA 4.754 67.169 62.300 0.191 0.000 1.014 49 V CB -1.226 30.807 31.823 0.350 0.000 0.645 49 V HN 0.298 8.499 8.190 0.053 0.021 0.447 50 D N -1.060 119.492 120.400 0.254 0.000 2.190 50 D HA -0.331 nan 4.640 nan 0.000 0.200 50 D C 2.191 178.573 176.300 0.136 0.000 0.992 50 D CA 3.471 57.605 54.000 0.224 0.000 0.854 50 D CB -0.740 40.191 40.800 0.220 0.000 0.936 50 D HN 0.044 8.581 8.370 0.280 0.000 0.462 51 A N -1.002 121.874 122.820 0.092 0.000 1.855 51 A HA -0.184 nan 4.320 nan 0.000 0.215 51 A C 1.737 179.349 177.584 0.047 0.000 1.191 51 A CA 3.009 55.076 52.037 0.050 0.000 0.613 51 A CB -0.767 18.244 19.000 0.018 0.000 0.829 51 A HN -0.418 7.674 8.150 0.090 0.112 0.442 52 A N -2.067 120.788 122.820 0.058 0.000 1.948 52 A HA -0.331 nan 4.320 nan 0.000 0.220 52 A C 2.270 179.893 177.584 0.065 0.000 1.177 52 A CA 3.179 55.245 52.037 0.049 0.000 0.636 52 A CB -0.612 18.434 19.000 0.076 0.000 0.815 52 A HN -0.169 8.022 8.150 0.068 0.000 0.449 53 V N -2.075 117.925 119.914 0.144 0.000 2.453 53 V HA -0.423 nan 4.120 nan 0.000 0.247 53 V C 2.386 178.550 176.094 0.118 0.000 1.048 53 V CA 4.323 66.747 62.300 0.206 0.000 1.049 53 V CB -1.165 30.823 31.823 0.275 0.000 0.672 53 V HN -0.014 8.250 8.190 0.156 0.020 0.457 54 E N -0.103 120.139 120.200 0.070 0.000 2.015 54 E HA -0.331 nan 4.350 nan 0.000 0.191 54 E C 2.181 178.773 176.600 -0.012 0.000 0.991 54 E CA 3.206 59.626 56.400 0.033 0.000 0.802 54 E CB -0.275 29.442 29.700 0.030 0.000 0.759 54 E HN -0.496 7.814 8.360 0.077 0.096 0.447 55 K N -2.063 118.319 120.400 -0.030 0.000 2.074 55 K HA -0.260 nan 4.320 nan 0.000 0.209 55 K C 2.122 178.641 176.600 -0.134 0.000 1.048 55 K CA 2.608 58.856 56.287 -0.065 0.000 0.926 55 K CB -0.181 32.285 32.500 -0.055 0.000 0.713 55 K HN -0.282 7.962 8.250 -0.009 0.000 0.444 56 A N -2.382 120.304 122.820 -0.223 0.000 1.855 56 A HA -0.114 nan 4.320 nan 0.000 0.213 56 A C 0.953 178.174 177.584 -0.605 0.000 1.195 56 A CA 2.280 54.027 52.037 -0.484 0.000 0.610 56 A CB 0.303 18.858 19.000 -0.743 0.000 0.837 56 A HN -0.509 7.519 8.150 -0.168 0.021 0.444 57 Y N -4.843 115.377 120.300 -0.133 0.000 2.532 57 Y HA 0.091 nan 4.550 nan 0.000 0.283 57 Y C -0.493 175.336 175.900 -0.119 0.000 1.181 57 Y CA -1.231 56.769 58.100 -0.166 0.000 1.256 57 Y CB -0.412 37.877 38.460 -0.284 0.000 1.112 57 Y HN -0.745 7.408 8.280 -0.212 0.000 0.521 58 K N -0.852 119.537 120.400 -0.019 0.000 3.078 58 K HA -0.506 nan 4.320 nan 0.000 0.261 58 K C -0.024 176.577 176.600 0.001 0.000 0.947 58 K CA 1.098 57.376 56.287 -0.015 0.000 0.702 58 K CB -2.923 29.561 32.500 -0.026 0.000 1.318 58 K HN 0.119 8.254 8.250 -0.070 0.073 0.473 59 G N -4.059 104.748 108.800 0.012 0.000 2.258 59 G HA2 -0.438 nan 3.960 nan 0.000 0.233 59 G HA3 -0.438 nan 3.960 nan 0.000 0.233 59 G C 0.787 175.682 174.900 -0.008 0.000 1.006 59 G CA 0.297 45.401 45.100 0.006 0.000 0.620 59 G HN -0.186 8.104 8.290 0.025 0.015 0.511 60 E N 0.856 121.047 120.200 -0.015 0.000 2.023 60 E HA -0.278 nan 4.350 nan 0.000 0.196 60 E C 0.589 177.125 176.600 -0.108 0.000 1.003 60 E CA 1.596 57.962 56.400 -0.056 0.000 0.809 60 E CB 0.220 29.880 29.700 -0.065 0.000 0.755 60 E HN 0.102 8.387 8.360 0.005 0.078 0.449 61 R N -1.927 118.457 120.500 -0.193 0.000 2.643 61 R HA 0.243 nan 4.340 nan 0.000 0.272 61 R C -1.408 174.829 176.300 -0.105 0.000 0.995 61 R CA -0.335 55.598 56.100 -0.278 0.000 1.032 61 R CB 2.173 31.971 30.300 -0.836 0.000 1.126 61 R HN -0.364 7.805 8.270 -0.169 0.000 0.505 62 K N -2.479 117.933 120.400 0.020 0.000 2.642 62 K HA 0.229 nan 4.320 nan 0.000 0.290 62 K C -1.722 174.921 176.600 0.071 0.000 1.006 62 K CA -0.936 55.401 56.287 0.082 0.000 0.869 62 K CB 3.490 36.016 32.500 0.043 0.000 1.499 62 K HN 0.443 8.725 8.250 0.053 0.000 0.403 63 I N -0.492 120.036 120.570 -0.071 0.000 2.404 63 I HA 0.181 nan 4.170 nan 0.000 0.293 63 I C 0.003 175.918 176.117 -0.336 0.000 0.992 63 I CA -1.237 59.862 61.300 -0.334 0.000 1.149 63 I CB 1.844 39.333 38.000 -0.851 0.000 1.315 63 I HN 0.376 8.559 8.210 -0.046 0.000 0.446 64 S N 7.377 122.950 115.700 -0.211 0.000 2.642 64 S HA 0.128 nan 4.470 nan 0.000 0.309 64 S C -1.188 173.391 174.600 -0.035 0.000 1.125 64 S CA -0.529 57.635 58.200 -0.060 0.000 1.055 64 S CB -0.925 62.274 63.200 -0.002 0.000 1.157 64 S HN 0.318 8.593 8.310 -0.174 -0.069 0.513 65 W N 4.935 126.279 121.300 0.073 0.000 2.308 65 W HA -0.105 nan 4.660 nan 0.000 0.324 65 W C -0.581 176.018 176.519 0.133 0.000 1.387 65 W CA -0.208 57.216 57.345 0.132 0.000 1.250 65 W CB 0.346 29.891 29.460 0.142 0.000 1.257 65 W HN -0.322 7.972 8.180 0.191 0.000 0.554 66 M N 5.164 124.941 119.600 0.295 0.000 2.167 66 M HA 0.300 nan 4.480 nan 0.000 0.333 66 M C -1.813 174.352 176.300 -0.225 0.000 1.030 66 M CA -1.007 54.300 55.300 0.011 0.000 0.963 66 M CB 3.156 35.654 32.600 -0.170 0.000 1.589 66 M HN 0.272 8.763 8.290 0.335 0.000 0.431 67 E N 7.121 127.057 120.200 -0.440 0.000 2.229 67 E HA 0.358 nan 4.350 nan 0.000 0.283 67 E C -0.867 175.192 176.600 -0.901 0.000 1.030 67 E CA -0.720 55.055 56.400 -1.041 0.000 0.836 67 E CB 1.013 30.139 29.700 -0.957 0.000 1.068 67 E HN 0.241 8.467 8.360 -0.223 0.000 0.401 68 I N 0.047 120.085 120.570 -0.887 0.000 3.217 68 I HA 0.602 nan 4.170 nan 0.000 0.308 68 I C -1.808 173.758 176.117 -0.917 0.000 1.091 68 I CA -2.154 58.687 61.300 -0.765 0.000 1.013 68 I CB 2.223 40.022 38.000 -0.334 0.000 1.250 68 I HN 0.414 8.096 8.210 -0.879 0.000 0.496 69 Y N -1.313 118.980 120.300 -0.011 0.000 2.391 69 Y HA 0.247 nan 4.550 nan 0.000 0.341 69 Y C -1.473 174.412 175.900 -0.024 0.000 0.965 69 Y CA -1.157 56.953 58.100 0.016 0.000 1.067 69 Y CB 2.784 41.334 38.460 0.150 0.000 1.199 69 Y HN -0.493 7.722 8.280 -0.108 0.000 0.450 70 T N 1.643 116.289 114.554 0.153 0.000 2.942 70 T HA 0.290 nan 4.350 nan 0.000 0.327 70 T C -1.290 173.490 174.700 0.134 0.000 1.360 70 T CA -0.457 61.702 62.100 0.098 0.000 1.055 70 T CB 3.686 72.593 68.868 0.064 0.000 1.261 70 T HN 0.105 8.457 8.240 0.186 0.000 0.485 71 G N 4.758 113.665 108.800 0.178 0.000 2.512 71 G HA2 -0.393 nan 3.960 nan 0.000 0.240 71 G HA3 -0.393 nan 3.960 nan 0.000 0.240 71 G C -0.077 174.968 174.900 0.240 0.000 1.246 71 G CA 0.114 45.367 45.100 0.256 0.000 0.919 71 G HN 0.319 8.719 8.290 0.183 0.000 0.577 72 E N 3.152 123.491 120.200 0.232 0.000 2.055 72 E HA -0.389 nan 4.350 nan 0.000 0.209 72 E C 1.712 178.325 176.600 0.021 0.000 1.036 72 E CA 2.717 59.206 56.400 0.149 0.000 0.849 72 E CB -0.145 29.637 29.700 0.137 0.000 0.767 72 E HN -0.187 8.677 8.360 0.223 -0.370 0.461 73 K N -1.863 118.574 120.400 0.060 0.000 2.173 73 K HA -0.357 nan 4.320 nan 0.000 0.207 73 K C 2.277 178.858 176.600 -0.033 0.000 1.046 73 K CA 2.951 59.259 56.287 0.034 0.000 0.929 73 K CB -0.264 32.327 32.500 0.151 0.000 0.720 73 K HN -0.467 7.843 8.250 0.101 0.000 0.453 74 S N -2.088 113.614 115.700 0.004 0.000 2.356 74 S HA -0.264 nan 4.470 nan 0.000 0.223 74 S C 1.673 176.188 174.600 -0.142 0.000 1.032 74 S CA 3.803 61.985 58.200 -0.029 0.000 1.005 74 S CB -0.426 62.721 63.200 -0.088 0.000 0.867 74 S HN -0.185 8.009 8.310 0.042 0.141 0.449 75 T N -0.037 114.320 114.554 -0.329 0.000 2.833 75 T HA -0.257 nan 4.350 nan 0.000 0.269 75 T C 2.307 176.866 174.700 -0.235 0.000 1.054 75 T CA 3.283 65.124 62.100 -0.431 0.000 1.135 75 T CB -0.739 67.687 68.868 -0.737 0.000 0.869 75 T HN -0.347 7.688 8.240 -0.342 0.000 0.466 76 Q N 2.085 121.776 119.800 -0.181 0.000 2.016 76 Q HA -0.190 nan 4.340 nan 0.000 0.200 76 Q C 2.373 178.276 176.000 -0.163 0.000 0.978 76 Q CA 2.810 58.527 55.803 -0.143 0.000 0.833 76 Q CB -0.146 28.525 28.738 -0.112 0.000 0.895 76 Q HN -0.549 7.505 8.270 -0.175 0.112 0.427 77 V N 0.313 120.096 119.914 -0.218 0.000 2.358 77 V HA -0.249 nan 4.120 nan 0.000 0.246 77 V C 1.723 177.667 176.094 -0.249 0.000 1.047 77 V CA 3.502 65.609 62.300 -0.322 0.000 1.035 77 V CB 0.064 31.483 31.823 -0.674 0.000 0.658 77 V HN 0.080 8.134 8.190 -0.226 0.000 0.452 78 Y N -3.574 116.581 120.300 -0.242 0.000 2.457 78 Y HA 0.123 nan 4.550 nan 0.000 0.263 78 Y C -0.036 175.766 175.900 -0.164 0.000 1.164 78 Y CA 0.048 58.043 58.100 -0.174 0.000 1.274 78 Y CB 0.421 38.792 38.460 -0.148 0.000 1.097 78 Y HN 0.340 8.554 8.280 0.068 0.106 0.523 79 G N -0.567 108.204 108.800 -0.049 0.000 3.338 79 G HA2 -0.299 nan 3.960 nan 0.000 0.686 79 G HA3 -0.299 nan 3.960 nan 0.000 0.686 79 G C -1.800 173.002 174.900 -0.163 0.000 1.053 79 G CA -0.612 44.436 45.100 -0.086 0.000 0.852 79 G HN -0.625 7.550 8.290 -0.083 0.065 0.545 80 Q N 5.163 124.854 119.800 -0.182 0.000 2.283 80 Q HA -0.060 nan 4.340 nan 0.000 0.269 80 Q C -1.173 174.704 176.000 -0.205 0.000 1.187 80 Q CA 0.650 56.287 55.803 -0.276 0.000 0.922 80 Q CB -0.913 27.707 28.738 -0.197 0.000 1.323 80 Q HN 0.127 8.316 8.270 -0.134 0.000 0.432 81 D N -1.704 118.495 120.400 -0.335 0.000 3.793 81 D HA -0.169 nan 4.640 nan 0.000 0.463 81 D C -1.049 175.108 176.300 -0.239 0.000 0.429 81 D CA 0.541 54.473 54.000 -0.113 0.000 0.891 81 D CB 0.307 41.099 40.800 -0.013 0.000 1.503 81 D HN 0.037 8.059 8.370 -0.580 0.000 0.205 82 V N 2.222 121.875 119.914 -0.436 0.000 2.333 82 V HA 0.175 nan 4.120 nan 0.000 0.274 82 V C -1.230 174.500 176.094 -0.608 0.000 1.028 82 V CA 0.633 62.714 62.300 -0.365 0.000 0.851 82 V CB -0.335 31.346 31.823 -0.236 0.000 1.000 82 V HN -0.335 7.606 8.190 -0.415 0.000 0.456 83 W N 5.609 126.867 121.300 -0.070 0.000 2.798 83 W HA 0.152 nan 4.660 nan 0.000 0.260 83 W C -0.521 175.952 176.519 -0.076 0.000 1.165 83 W CA 0.989 58.301 57.345 -0.055 0.000 1.501 83 W CB 1.579 31.020 29.460 -0.032 0.000 1.023 83 W HN -0.004 8.218 8.180 0.069 0.000 0.615 84 L N -1.577 119.711 121.223 0.109 0.000 2.462 84 L HA 0.512 nan 4.340 nan 0.000 0.255 84 L C -2.302 174.523 176.870 -0.076 0.000 1.076 84 L CA -2.583 52.268 54.840 0.018 0.000 0.920 84 L CB 1.087 43.180 42.059 0.057 0.000 1.214 84 L HN -0.363 7.952 8.230 0.142 0.000 0.472 85 P HA 0.166 nan 4.420 nan 0.000 0.274 85 P C -0.674 176.545 177.300 -0.134 0.000 1.237 85 P CA -0.607 62.320 63.100 -0.287 0.000 0.793 85 P CB 1.866 33.099 31.700 -0.777 0.000 0.977 86 A N 1.223 124.001 122.820 -0.070 0.000 2.014 86 A HA -0.165 nan 4.320 nan 0.000 0.218 86 A C 2.242 179.836 177.584 0.018 0.000 1.163 86 A CA 2.700 54.730 52.037 -0.011 0.000 0.652 86 A CB -0.366 18.640 19.000 0.009 0.000 0.808 86 A HN 0.423 8.532 8.150 -0.070 0.000 0.449 87 E N -1.931 118.294 120.200 0.042 0.000 2.097 87 E HA -0.382 nan 4.350 nan 0.000 0.196 87 E C 2.306 178.944 176.600 0.064 0.000 1.000 87 E CA 3.886 60.341 56.400 0.093 0.000 0.804 87 E CB -0.436 29.384 29.700 0.199 0.000 0.740 87 E HN 0.551 8.928 8.360 0.029 0.000 0.454 88 T N 1.393 115.966 114.554 0.032 0.000 2.746 88 T HA -0.214 nan 4.350 nan 0.000 0.267 88 T C 2.189 176.899 174.700 0.016 0.000 1.039 88 T CA 4.460 66.565 62.100 0.008 0.000 1.142 88 T CB -0.628 68.230 68.868 -0.017 0.000 0.866 88 T HN -0.339 7.905 8.240 0.006 -0.001 0.444 89 L N 0.087 121.320 121.223 0.016 0.000 2.093 89 L HA -0.375 nan 4.340 nan 0.000 0.208 89 L C 1.866 178.761 176.870 0.042 0.000 1.085 89 L CA 3.066 57.920 54.840 0.023 0.000 0.755 89 L CB -0.580 41.489 42.059 0.017 0.000 0.904 89 L HN -0.803 7.317 8.230 0.008 0.115 0.435 90 D N 0.158 120.590 120.400 0.053 0.000 2.077 90 D HA -0.232 nan 4.640 nan 0.000 0.196 90 D C 2.600 178.967 176.300 0.112 0.000 0.986 90 D CA 3.352 57.395 54.000 0.071 0.000 0.829 90 D CB -0.365 40.481 40.800 0.076 0.000 0.983 90 D HN 0.015 8.413 8.370 0.048 0.000 0.453 91 L N -0.941 120.362 121.223 0.133 0.000 2.089 91 L HA -0.348 nan 4.340 nan 0.000 0.213 91 L C 2.525 179.534 176.870 0.232 0.000 1.079 91 L CA 3.284 58.255 54.840 0.217 0.000 0.758 91 L CB -0.735 41.352 42.059 0.047 0.000 0.891 91 L HN -0.189 8.100 8.230 0.098 0.000 0.433 92 I N -1.905 118.736 120.570 0.119 0.000 2.202 92 I HA -0.564 nan 4.170 nan 0.000 0.242 92 I C 2.046 178.225 176.117 0.103 0.000 1.091 92 I CA 4.026 65.387 61.300 0.102 0.000 1.368 92 I CB -0.488 37.542 38.000 0.050 0.000 1.058 92 I HN -0.516 7.725 8.210 0.082 0.018 0.410 93 R N -0.389 120.159 120.500 0.080 0.000 2.075 93 R HA -0.335 nan 4.340 nan 0.000 0.230 93 R C 1.768 178.096 176.300 0.046 0.000 1.140 93 R CA 3.011 59.143 56.100 0.054 0.000 0.928 93 R CB -0.628 29.698 30.300 0.042 0.000 0.834 93 R HN -0.613 7.635 8.270 0.076 0.067 0.429 94 E N -2.681 117.552 120.200 0.054 0.000 2.070 94 E HA -0.281 nan 4.350 nan 0.000 0.197 94 E C 2.804 179.289 176.600 -0.192 0.000 1.004 94 E CA 2.900 59.272 56.400 -0.047 0.000 0.805 94 E CB 0.349 30.039 29.700 -0.017 0.000 0.744 94 E HN 0.131 8.439 8.360 0.082 0.102 0.451 95 Y N -3.001 117.305 120.300 0.011 0.000 2.561 95 Y HA -0.221 nan 4.550 nan 0.000 0.291 95 Y C 1.040 176.947 175.900 0.013 0.000 1.141 95 Y CA 2.442 60.547 58.100 0.008 0.000 1.303 95 Y CB 0.102 38.567 38.460 0.007 0.000 1.015 95 Y HN 0.006 8.362 8.280 0.326 0.119 0.547 96 R N -5.052 115.504 120.500 0.093 0.000 2.147 96 R HA -0.384 nan 4.340 nan 0.000 0.158 96 R C -1.822 174.558 176.300 0.133 0.000 0.870 96 R CA 2.261 58.410 56.100 0.083 0.000 1.862 96 R CB -1.295 29.032 30.300 0.044 0.000 0.805 96 R HN -0.101 8.197 8.270 0.109 0.037 0.659 97 V N -1.362 118.644 119.914 0.153 0.000 2.588 97 V HA 0.416 nan 4.120 nan 0.000 0.304 97 V C -1.831 174.380 176.094 0.195 0.000 1.042 97 V CA -1.469 60.958 62.300 0.213 0.000 0.877 97 V CB 2.387 34.326 31.823 0.193 0.000 0.996 97 V HN -0.642 7.562 8.190 0.143 0.071 0.425 98 A N 6.350 129.310 122.820 0.233 0.000 2.556 98 A HA 0.909 nan 4.320 nan 0.000 0.294 98 A C -3.085 174.659 177.584 0.267 0.000 1.091 98 A CA -2.186 49.974 52.037 0.204 0.000 0.704 98 A CB 4.199 23.272 19.000 0.121 0.000 1.300 98 A HN 0.407 8.719 8.150 0.270 0.000 0.406 99 I N -1.160 119.558 120.570 0.247 0.000 2.730 99 I HA 0.829 nan 4.170 nan 0.000 0.298 99 I C -2.928 173.285 176.117 0.161 0.000 1.089 99 I CA -2.379 59.060 61.300 0.231 0.000 1.041 99 I CB 3.941 42.085 38.000 0.240 0.000 1.235 99 I HN 0.410 8.770 8.210 0.250 0.000 0.423 100 K N 3.921 124.387 120.400 0.110 0.000 2.508 100 K HA 0.764 nan 4.320 nan 0.000 0.260 100 K C -1.539 175.090 176.600 0.049 0.000 0.949 100 K CA -2.023 54.310 56.287 0.077 0.000 0.834 100 K CB 4.171 36.702 32.500 0.052 0.000 1.365 100 K HN 0.422 8.736 8.250 0.108 0.000 0.437 101 G N -0.579 108.253 108.800 0.055 0.000 2.531 101 G HA2 0.383 nan 3.960 nan 0.000 0.281 101 G HA3 0.383 nan 3.960 nan 0.000 0.281 101 G C -2.519 172.407 174.900 0.042 0.000 1.382 101 G CA -2.226 42.900 45.100 0.043 0.000 1.045 101 G HN -0.214 8.119 8.290 0.073 0.000 0.533 102 P HA 0.091 nan 4.420 nan 0.000 0.279 102 P C -1.832 175.511 177.300 0.073 0.000 1.239 102 P CA 0.227 63.366 63.100 0.065 0.000 0.789 102 P CB 0.739 32.501 31.700 0.102 0.000 0.933 103 L N 1.191 122.453 121.223 0.065 0.000 2.319 103 L HA 0.848 nan 4.340 nan 0.000 0.267 103 L C 0.192 177.101 176.870 0.065 0.000 1.011 103 L CA -1.262 53.621 54.840 0.073 0.000 0.818 103 L CB 2.300 44.399 42.059 0.066 0.000 1.316 103 L HN 0.110 8.373 8.230 0.055 0.000 0.432 104 T N 4.033 118.630 114.554 0.071 0.000 2.908 104 T HA 0.369 nan 4.350 nan 0.000 0.290 104 T C -0.838 173.862 174.700 -0.001 0.000 1.034 104 T CA -0.579 61.546 62.100 0.042 0.000 1.010 104 T CB 2.010 70.909 68.868 0.051 0.000 1.068 104 T HN 0.025 8.526 8.240 0.097 -0.203 0.481 105 T N 5.798 120.320 114.554 -0.053 0.000 2.791 105 T HA 0.362 nan 4.350 nan 0.000 0.288 105 T C -1.831 172.749 174.700 -0.199 0.000 0.999 105 T CA -1.981 60.034 62.100 -0.141 0.000 0.952 105 T CB 0.496 69.290 68.868 -0.122 0.000 0.938 105 T HN -0.043 8.173 8.240 -0.040 0.000 0.444 106 P HA 0.024 nan 4.420 nan 0.000 0.266 106 P C -0.856 176.289 177.300 -0.258 0.000 1.215 106 P CA -0.228 62.667 63.100 -0.343 0.000 0.763 106 P CB 0.305 31.614 31.700 -0.651 0.000 0.806 107 V N 2.501 122.322 119.914 -0.155 0.000 2.924 107 V HA -0.106 nan 4.120 nan 0.000 0.305 107 V C 1.447 177.476 176.094 -0.108 0.000 1.073 107 V CA 0.550 62.780 62.300 -0.116 0.000 1.098 107 V CB 0.112 31.891 31.823 -0.074 0.000 1.000 107 V HN 0.343 8.458 8.190 -0.125 0.000 0.484 108 G N 6.290 115.037 108.800 -0.088 0.000 2.850 108 G HA2 -0.113 nan 3.960 nan 0.000 0.207 108 G HA3 -0.113 nan 3.960 nan 0.000 0.207 108 G C -0.302 174.560 174.900 -0.064 0.000 1.302 108 G CA -0.235 44.827 45.100 -0.064 0.000 0.832 108 G HN 0.423 8.664 8.290 -0.082 0.000 0.543 109 G N 2.240 110.980 108.800 -0.100 0.000 3.518 109 G HA2 -0.010 nan 3.960 nan 0.000 0.273 109 G HA3 -0.010 nan 3.960 nan 0.000 0.273 109 G C 0.425 175.270 174.900 -0.091 0.000 1.199 109 G CA -0.765 44.288 45.100 -0.079 0.000 0.899 109 G HN -0.030 8.169 8.290 -0.151 0.000 0.533 110 G N 1.260 110.004 108.800 -0.093 0.000 2.366 110 G HA2 -0.290 nan 3.960 nan 0.000 0.299 110 G HA3 -0.290 nan 3.960 nan 0.000 0.299 110 G C -0.682 174.155 174.900 -0.105 0.000 1.020 110 G CA 0.343 45.392 45.100 -0.084 0.000 1.026 110 G HN -0.132 8.041 8.290 -0.087 0.065 0.512 111 I N -0.982 119.493 120.570 -0.159 0.000 2.404 111 I HA 0.144 nan 4.170 nan 0.000 0.293 111 I C -0.086 175.938 176.117 -0.156 0.000 0.992 111 I CA -1.085 60.109 61.300 -0.177 0.000 1.149 111 I CB 0.914 38.725 38.000 -0.315 0.000 1.315 111 I HN -0.261 7.840 8.210 -0.182 0.000 0.446 112 R N 6.500 126.930 120.500 -0.115 0.000 2.652 112 R HA 0.110 nan 4.340 nan 0.000 0.271 112 R C 0.089 176.333 176.300 -0.094 0.000 1.129 112 R CA -0.935 55.103 56.100 -0.103 0.000 1.200 112 R CB 0.295 30.544 30.300 -0.084 0.000 1.146 112 R HN 0.155 8.367 8.270 -0.096 0.000 0.581 113 S N 0.683 116.336 115.700 -0.078 0.000 2.629 113 S HA -0.114 nan 4.470 nan 0.000 0.302 113 S C 1.012 175.598 174.600 -0.022 0.000 1.244 113 S CA 0.746 58.916 58.200 -0.049 0.000 1.098 113 S CB 0.276 63.458 63.200 -0.029 0.000 0.858 113 S HN 0.071 8.329 8.310 -0.087 0.000 0.502 114 L N 7.045 128.257 121.223 -0.018 0.000 2.079 114 L HA -0.461 nan 4.340 nan 0.000 0.210 114 L C 1.641 178.522 176.870 0.019 0.000 1.081 114 L CA 2.921 57.767 54.840 0.010 0.000 0.752 114 L CB -0.556 41.524 42.059 0.035 0.000 0.896 114 L HN 0.468 8.679 8.230 -0.032 0.000 0.433 115 N N -0.941 117.772 118.700 0.021 0.000 2.104 115 N HA -0.243 nan 4.740 nan 0.000 0.190 115 N C 2.287 177.811 175.510 0.024 0.000 1.024 115 N CA 3.072 56.135 53.050 0.022 0.000 0.853 115 N CB -0.389 38.116 38.487 0.030 0.000 1.008 115 N HN -0.248 8.132 8.380 0.019 0.011 0.424 116 V N -0.456 119.483 119.914 0.043 0.000 2.871 116 V HA -0.199 nan 4.120 nan 0.000 0.256 116 V C 1.396 177.510 176.094 0.033 0.000 1.082 116 V CA 3.121 65.457 62.300 0.060 0.000 1.105 116 V CB -0.946 30.947 31.823 0.117 0.000 0.713 116 V HN -0.528 7.605 8.190 0.040 0.082 0.473 117 A N 0.408 123.238 122.820 0.018 0.000 1.873 117 A HA -0.266 nan 4.320 nan 0.000 0.215 117 A C 1.665 179.256 177.584 0.011 0.000 1.186 117 A CA 3.482 55.526 52.037 0.012 0.000 0.616 117 A CB -0.842 18.163 19.000 0.009 0.000 0.823 117 A HN 0.080 8.103 8.150 0.015 0.136 0.442 118 L N -1.831 119.397 121.223 0.009 0.000 1.970 118 L HA -0.536 nan 4.340 nan 0.000 0.212 118 L C 2.317 179.182 176.870 -0.008 0.000 1.071 118 L CA 3.507 58.348 54.840 0.001 0.000 0.751 118 L CB -0.440 41.617 42.059 -0.004 0.000 0.889 118 L HN -0.128 8.108 8.230 0.011 0.000 0.432 119 R N -2.375 118.116 120.500 -0.015 0.000 2.096 119 R HA -0.489 nan 4.340 nan 0.000 0.240 119 R C 2.558 178.857 176.300 -0.003 0.000 1.139 119 R CA 3.904 59.987 56.100 -0.027 0.000 0.952 119 R CB -0.489 29.788 30.300 -0.038 0.000 0.854 119 R HN -0.612 7.650 8.270 -0.013 0.000 0.436 120 Q N -1.486 118.322 119.800 0.014 0.000 2.020 120 Q HA -0.315 nan 4.340 nan 0.000 0.202 120 Q C 3.287 179.302 176.000 0.025 0.000 0.982 120 Q CA 3.031 58.850 55.803 0.026 0.000 0.838 120 Q CB -0.214 28.541 28.738 0.028 0.000 0.899 120 Q HN -0.071 8.209 8.270 0.016 0.000 0.423 121 E N 0.761 120.971 120.200 0.018 0.000 2.130 121 E HA -0.272 nan 4.350 nan 0.000 0.196 121 E C 1.701 178.312 176.600 0.019 0.000 0.998 121 E CA 2.581 58.991 56.400 0.017 0.000 0.806 121 E CB -0.204 29.505 29.700 0.014 0.000 0.738 121 E HN -0.238 8.131 8.360 0.015 0.000 0.459 122 L N -4.764 116.467 121.223 0.013 0.000 2.592 122 L HA 0.050 nan 4.340 nan 0.000 0.227 122 L C -0.518 176.366 176.870 0.024 0.000 1.127 122 L CA -0.227 54.621 54.840 0.012 0.000 0.884 122 L CB 0.423 42.478 42.059 -0.005 0.000 1.065 122 L HN -0.372 7.842 8.230 0.007 0.020 0.457 123 D N -1.251 119.175 120.400 0.042 0.000 2.689 123 D HA -0.336 nan 4.640 nan 0.000 0.237 123 D C -0.506 175.852 176.300 0.098 0.000 1.148 123 D CA 1.298 55.355 54.000 0.095 0.000 0.656 123 D CB -0.942 39.931 40.800 0.122 0.000 1.050 123 D HN -0.334 7.852 8.370 0.035 0.205 0.426 124 L N -1.007 120.211 121.223 -0.009 0.000 2.387 124 L HA -0.009 nan 4.340 nan 0.000 0.267 124 L C -0.110 176.687 176.870 -0.122 0.000 1.197 124 L CA -0.690 54.065 54.840 -0.141 0.000 1.070 124 L CB -1.229 40.732 42.059 -0.164 0.000 1.349 124 L HN -0.183 8.033 8.230 -0.007 0.010 0.422 125 Y N -1.192 119.084 120.300 -0.041 0.000 2.529 125 Y HA -0.071 nan 4.550 nan 0.000 0.290 125 Y C -0.703 175.181 175.900 -0.028 0.000 1.177 125 Y CA -1.100 56.982 58.100 -0.029 0.000 1.305 125 Y CB 0.081 38.539 38.460 -0.003 0.000 1.047 125 Y HN -0.378 7.680 8.280 -0.343 0.016 0.522 126 I N -0.473 119.897 120.570 -0.333 0.000 2.382 126 I HA 0.257 nan 4.170 nan 0.000 0.286 126 I C -2.017 173.946 176.117 -0.257 0.000 1.002 126 I CA -1.453 59.728 61.300 -0.199 0.000 1.135 126 I CB 1.420 39.283 38.000 -0.227 0.000 1.288 126 I HN -0.058 7.789 8.210 -0.518 0.053 0.448 127 C N 9.493 128.662 119.300 -0.218 0.000 2.223 127 C HA 0.634 nan 4.460 nan 0.000 0.324 127 C C -1.741 173.048 174.990 -0.336 0.000 1.196 127 C CA -2.190 56.676 59.018 -0.254 0.000 1.628 127 C CB -0.608 27.008 27.740 -0.206 0.000 2.229 127 C HN 0.586 8.724 8.230 -0.152 0.000 0.486 128 L N 9.396 130.375 121.223 -0.407 0.000 2.257 128 L HA 0.616 nan 4.340 nan 0.000 0.290 128 L C -2.205 174.468 176.870 -0.327 0.000 1.044 128 L CA -0.657 53.857 54.840 -0.543 0.000 0.810 128 L CB 1.331 43.054 42.059 -0.560 0.000 1.193 128 L HN 1.129 9.025 8.230 -0.362 0.117 0.425 129 R N 6.866 127.194 120.500 -0.287 0.000 2.472 129 R HA 0.531 nan 4.340 nan 0.000 0.294 129 R C -2.753 173.493 176.300 -0.091 0.000 1.243 129 R CA -2.987 53.028 56.100 -0.142 0.000 1.023 129 R CB 1.811 32.053 30.300 -0.097 0.000 1.157 129 R HN 0.738 8.789 8.270 -0.366 0.000 0.530 130 P HA 0.581 nan 4.420 nan 0.000 0.294 130 P C -1.494 175.850 177.300 0.073 0.000 1.294 130 P CA -1.064 62.044 63.100 0.015 0.000 0.827 130 P CB 0.686 32.411 31.700 0.042 0.000 0.992 131 V N 0.163 120.133 119.914 0.093 0.000 2.483 131 V HA 0.556 nan 4.120 nan 0.000 0.297 131 V C -2.548 173.629 176.094 0.139 0.000 1.027 131 V CA -1.958 60.417 62.300 0.125 0.000 0.855 131 V CB 2.596 34.484 31.823 0.109 0.000 0.995 131 V HN 0.923 9.164 8.190 0.086 0.000 0.424 132 R N 4.739 125.344 120.500 0.174 0.000 2.710 132 R HA 0.519 nan 4.340 nan 0.000 0.270 132 R C -1.876 174.539 176.300 0.192 0.000 1.021 132 R CA -0.940 55.245 56.100 0.140 0.000 0.889 132 R CB 3.146 33.475 30.300 0.049 0.000 1.243 132 R HN -0.225 8.180 8.270 0.225 0.000 0.464 133 Y N 3.114 123.426 120.300 0.020 0.000 2.504 133 Y HA -0.040 nan 4.550 nan 0.000 0.351 133 Y C -1.429 174.461 175.900 -0.017 0.000 0.988 133 Y CA -0.546 57.584 58.100 0.049 0.000 1.239 133 Y CB 0.237 38.716 38.460 0.032 0.000 1.128 133 Y HN -0.264 8.148 8.280 0.220 0.000 0.525 134 Y N 6.843 126.864 120.300 -0.465 0.000 2.465 134 Y HA -0.109 nan 4.550 nan 0.000 0.331 134 Y C -0.154 175.258 175.900 -0.813 0.000 1.102 134 Y CA -0.250 57.613 58.100 -0.396 0.000 1.358 134 Y CB 0.750 39.114 38.460 -0.160 0.000 1.213 134 Y HN 0.085 8.445 8.280 0.133 0.000 0.525 135 Q N 4.602 124.183 119.800 -0.365 0.000 2.244 135 Q HA -0.293 nan 4.340 nan 0.000 0.276 135 Q C 0.461 176.401 176.000 -0.100 0.000 1.122 135 Q CA 1.146 56.823 55.803 -0.209 0.000 0.920 135 Q CB -0.243 28.492 28.738 -0.003 0.000 1.186 135 Q HN 0.358 8.512 8.270 -0.194 0.000 0.393 136 G N 4.346 113.116 108.800 -0.050 0.000 2.205 136 G HA2 -0.202 nan 3.960 nan 0.000 0.180 136 G HA3 -0.202 nan 3.960 nan 0.000 0.180 136 G C -0.440 174.433 174.900 -0.046 0.000 1.004 136 G CA -0.488 44.623 45.100 0.018 0.000 0.670 136 G HN -0.298 7.995 8.290 0.004 0.000 0.496 137 T N 4.654 119.109 114.554 -0.164 0.000 2.737 137 T HA 0.380 nan 4.350 nan 0.000 0.296 137 T C -1.814 172.794 174.700 -0.154 0.000 0.922 137 T CA -1.159 60.744 62.100 -0.329 0.000 1.079 137 T CB 0.840 69.514 68.868 -0.323 0.000 0.892 137 T HN -0.565 7.461 8.240 -0.357 0.000 0.514 138 P HA -0.092 nan 4.420 nan 0.000 0.256 138 P C -1.414 175.805 177.300 -0.135 0.000 1.189 138 P CA 0.050 63.036 63.100 -0.190 0.000 0.808 138 P CB 0.060 31.613 31.700 -0.246 0.000 0.793 139 S N 3.638 119.310 115.700 -0.047 0.000 2.537 139 S HA 0.379 nan 4.470 nan 0.000 0.301 139 S C -0.591 173.966 174.600 -0.072 0.000 1.092 139 S CA -3.609 54.562 58.200 -0.048 0.000 1.048 139 S CB 1.766 64.930 63.200 -0.060 0.000 1.053 139 S HN -0.398 7.895 8.310 -0.028 0.000 0.501 140 P HA 0.133 nan 4.420 nan 0.000 0.245 140 P C -1.180 176.072 177.300 -0.080 0.000 1.206 140 P CA 0.223 63.285 63.100 -0.064 0.000 0.781 140 P CB 0.254 31.925 31.700 -0.048 0.000 0.994 141 V N -3.137 116.717 119.914 -0.099 0.000 2.769 141 V HA 0.347 nan 4.120 nan 0.000 0.312 141 V C -0.226 175.760 176.094 -0.180 0.000 1.058 141 V CA -2.402 59.824 62.300 -0.123 0.000 0.952 141 V CB 1.371 33.132 31.823 -0.104 0.000 1.019 141 V HN -0.509 7.558 8.190 -0.103 0.061 0.445 142 K N 0.392 120.645 120.400 -0.245 0.000 2.103 142 K HA -0.219 nan 4.320 nan 0.000 0.207 142 K C -0.123 176.142 176.600 -0.557 0.000 1.048 142 K CA 2.421 58.445 56.287 -0.438 0.000 0.930 142 K CB 0.160 32.297 32.500 -0.605 0.000 0.716 142 K HN 0.268 8.392 8.250 -0.210 0.000 0.444 143 H N -4.085 114.904 119.070 -0.134 0.000 2.379 143 H HA 0.395 nan 4.556 nan 0.000 0.229 143 H C -1.585 173.604 175.328 -0.232 0.000 1.423 143 H CA -3.980 51.966 56.048 -0.169 0.000 1.375 143 H CB -1.138 28.561 29.762 -0.105 0.000 1.592 143 H HN -0.401 7.727 8.280 -0.216 0.022 0.507 144 P HA -0.135 nan 4.420 nan 0.000 0.228 144 P C 0.610 177.660 177.300 -0.415 0.000 1.151 144 P CA 1.511 64.360 63.100 -0.417 0.000 0.770 144 P CB 0.163 31.423 31.700 -0.733 0.000 0.786 145 E N -1.539 118.423 120.200 -0.397 0.000 2.418 145 E HA -0.161 nan 4.350 nan 0.000 0.197 145 E C 0.509 177.111 176.600 0.003 0.000 1.026 145 E CA 1.680 58.025 56.400 -0.091 0.000 0.862 145 E CB -1.773 27.914 29.700 -0.022 0.000 0.799 145 E HN 0.365 8.445 8.360 -0.372 0.057 0.518 146 L N -0.777 120.436 121.223 -0.016 0.000 2.554 146 L HA 0.055 nan 4.340 nan 0.000 0.226 146 L C -0.124 176.768 176.870 0.037 0.000 1.137 146 L CA 0.123 54.967 54.840 0.007 0.000 0.863 146 L CB 0.371 42.433 42.059 0.006 0.000 0.985 146 L HN -0.783 7.359 8.230 -0.040 0.064 0.451 147 T N 3.306 117.891 114.554 0.052 0.000 2.744 147 T HA 0.077 nan 4.350 nan 0.000 0.291 147 T C -2.151 172.609 174.700 0.100 0.000 0.957 147 T CA 0.765 62.912 62.100 0.079 0.000 1.002 147 T CB 0.419 69.334 68.868 0.077 0.000 0.919 147 T HN -0.853 7.353 8.240 0.041 0.058 0.468 148 D N 6.522 126.982 120.400 0.099 0.000 2.752 148 D HA 0.247 nan 4.640 nan 0.000 0.242 148 D C -2.071 174.299 176.300 0.116 0.000 1.295 148 D CA -0.108 53.951 54.000 0.099 0.000 0.846 148 D CB 0.827 41.675 40.800 0.079 0.000 1.454 148 D HN 0.224 8.656 8.370 0.103 0.000 0.535 149 M N 0.573 120.247 119.600 0.123 0.000 2.664 149 M HA 0.599 nan 4.480 nan 0.000 0.314 149 M C -1.587 174.774 176.300 0.102 0.000 1.200 149 M CA -1.140 54.240 55.300 0.134 0.000 0.916 149 M CB 4.889 37.586 32.600 0.161 0.000 1.717 149 M HN 0.372 8.732 8.290 0.117 0.000 0.470 150 V N 1.632 121.600 119.914 0.090 0.000 2.357 150 V HA 0.503 nan 4.120 nan 0.000 0.281 150 V C -1.651 174.478 176.094 0.059 0.000 1.015 150 V CA -0.721 61.579 62.300 0.001 0.000 0.827 150 V CB 0.617 32.366 31.823 -0.123 0.000 1.018 150 V HN 0.341 8.605 8.190 0.122 0.000 0.432 151 I N 6.906 127.473 120.570 -0.005 0.000 2.337 151 I HA 0.246 nan 4.170 nan 0.000 0.291 151 I C -1.165 174.903 176.117 -0.082 0.000 1.046 151 I CA -0.099 61.213 61.300 0.021 0.000 1.324 151 I CB 0.784 38.791 38.000 0.011 0.000 1.409 151 I HN 0.594 8.672 8.210 -0.050 0.102 0.494 152 F N 9.291 129.188 119.950 -0.087 0.000 2.308 152 F HA 0.456 nan 4.527 nan 0.000 0.370 152 F C -1.999 173.774 175.800 -0.046 0.000 1.100 152 F CA -1.399 56.557 58.000 -0.074 0.000 1.108 152 F CB 0.773 39.739 39.000 -0.057 0.000 1.293 152 F HN 1.153 9.513 8.300 0.280 0.108 0.478 153 R N 4.126 124.625 120.500 -0.002 0.000 2.346 153 R HA 0.473 nan 4.340 nan 0.000 0.311 153 R C -1.191 175.087 176.300 -0.037 0.000 0.983 153 R CA -1.573 54.495 56.100 -0.055 0.000 0.880 153 R CB 2.963 33.178 30.300 -0.141 0.000 1.100 153 R HN 0.344 8.545 8.270 -0.114 0.000 0.453 154 E N 5.905 126.086 120.200 -0.031 0.000 2.384 154 E HA -0.170 nan 4.350 nan 0.000 0.266 154 E C -0.680 175.877 176.600 -0.071 0.000 1.012 154 E CA 0.849 57.262 56.400 0.021 0.000 0.901 154 E CB 0.434 30.154 29.700 0.034 0.000 0.967 154 E HN 0.274 8.463 8.360 -0.085 0.120 0.435 155 N N 4.408 123.100 118.700 -0.013 0.000 2.273 155 N HA 0.249 nan 4.740 nan 0.000 0.192 155 N C 0.701 176.204 175.510 -0.012 0.000 1.132 155 N CA 0.894 53.906 53.050 -0.064 0.000 0.887 155 N CB 1.987 40.436 38.487 -0.063 0.000 1.048 155 N HN -0.119 8.308 8.380 0.078 0.000 0.490 156 S N -1.783 113.944 115.700 0.045 0.000 2.535 156 S HA 0.136 nan 4.470 nan 0.000 0.214 156 S C -0.124 174.500 174.600 0.040 0.000 0.980 156 S CA 1.230 59.461 58.200 0.051 0.000 0.907 156 S CB 1.124 64.368 63.200 0.075 0.000 0.790 156 S HN -0.052 8.577 8.310 0.072 -0.276 0.510 157 E N 0.339 120.559 120.200 0.032 0.000 2.549 157 E HA 0.378 nan 4.350 nan 0.000 0.200 157 E C -1.724 174.901 176.600 0.043 0.000 0.732 157 E CA -1.352 55.073 56.400 0.043 0.000 0.987 157 E CB 2.387 32.120 29.700 0.055 0.000 1.810 157 E HN -0.729 7.805 8.360 0.014 -0.165 0.377 158 D N -1.379 119.049 120.400 0.047 0.000 9.601 158 D HA -0.256 nan 4.640 nan 0.000 0.351 158 D C 1.428 177.778 176.300 0.084 0.000 2.917 158 D CA 0.818 54.846 54.000 0.046 0.000 2.218 158 D CB 0.652 41.449 40.800 -0.005 0.000 1.166 158 D HN -0.340 8.065 8.370 0.057 0.000 1.105 159 I N 0.677 121.295 120.570 0.081 0.000 2.479 159 I HA -0.358 nan 4.170 nan 0.000 0.258 159 I C 0.737 176.886 176.117 0.052 0.000 1.165 159 I CA 2.064 63.393 61.300 0.049 0.000 1.422 159 I CB 0.064 38.078 38.000 0.023 0.000 1.087 159 I HN 0.166 8.415 8.210 0.065 0.000 0.441 160 F N -0.966 118.939 119.950 -0.075 0.000 2.664 160 F HA -0.344 nan 4.527 nan 0.000 0.297 160 F C 0.370 176.131 175.800 -0.065 0.000 1.164 160 F CA 1.844 59.799 58.000 -0.073 0.000 1.472 160 F CB -0.654 38.301 39.000 -0.076 0.000 1.108 160 F HN -0.197 8.243 8.300 0.339 0.064 0.596 161 A N -2.055 120.819 122.820 0.091 0.000 1.969 161 A HA -0.084 nan 4.320 nan 0.000 0.218 161 A C 0.760 178.324 177.584 -0.034 0.000 1.169 161 A CA 1.041 53.097 52.037 0.033 0.000 0.635 161 A CB 0.266 19.276 19.000 0.018 0.000 0.810 161 A HN -0.451 7.657 8.150 0.076 0.088 0.445 162 G N -2.130 106.615 108.800 -0.092 0.000 2.167 162 G HA2 -0.235 nan 3.960 nan 0.000 0.194 162 G HA3 -0.235 nan 3.960 nan 0.000 0.194 162 G C -0.776 173.994 174.900 -0.216 0.000 1.027 162 G CA -0.397 44.613 45.100 -0.151 0.000 0.717 162 G HN -0.631 7.607 8.290 -0.087 0.000 0.501 163 I N 2.316 122.737 120.570 -0.247 0.000 2.316 163 I HA 0.093 nan 4.170 nan 0.000 0.286 163 I C -1.912 173.796 176.117 -0.681 0.000 1.107 163 I CA -0.553 60.502 61.300 -0.409 0.000 1.219 163 I CB -1.310 36.547 38.000 -0.237 0.000 1.455 163 I HN -0.132 7.966 8.210 -0.188 0.000 0.498 164 E N 4.469 124.126 120.200 -0.904 0.000 2.372 164 E HA 0.444 nan 4.350 nan 0.000 0.279 164 E C -1.379 174.652 176.600 -0.949 0.000 0.946 164 E CA -1.659 54.220 56.400 -0.868 0.000 0.769 164 E CB 3.016 32.491 29.700 -0.375 0.000 1.230 164 E HN -0.442 7.452 8.360 -0.776 0.000 0.442 165 W N 0.963 122.266 121.300 0.005 0.000 2.475 165 W HA 0.288 nan 4.660 nan 0.000 0.317 165 W C -0.519 176.008 176.519 0.012 0.000 1.046 165 W CA -1.578 55.772 57.345 0.008 0.000 1.215 165 W CB 2.032 31.499 29.460 0.012 0.000 1.335 165 W HN 0.498 8.603 8.180 -0.125 0.000 0.471 166 K N 4.801 125.289 120.400 0.146 0.000 2.518 166 K HA -0.208 nan 4.320 nan 0.000 0.276 166 K C -0.329 176.345 176.600 0.122 0.000 0.974 166 K CA 0.103 56.447 56.287 0.095 0.000 0.986 166 K CB 1.300 33.838 32.500 0.063 0.000 0.901 166 K HN 0.451 8.786 8.250 0.142 0.000 0.497 167 A N 4.686 127.564 122.820 0.097 0.000 2.561 167 A HA -0.228 nan 4.320 nan 0.000 0.251 167 A C -0.392 177.261 177.584 0.114 0.000 1.062 167 A CA 1.602 53.705 52.037 0.111 0.000 0.761 167 A CB -0.699 18.360 19.000 0.099 0.000 0.986 167 A HN 0.374 8.568 8.150 0.073 0.000 0.510 168 D N -0.415 120.060 120.400 0.125 0.000 2.748 168 D HA -0.336 nan 4.640 nan 0.000 0.189 168 D C -0.051 176.302 176.300 0.088 0.000 0.982 168 D CA 1.183 55.252 54.000 0.116 0.000 1.017 168 D CB -0.390 40.497 40.800 0.145 0.000 1.076 168 D HN 0.466 8.910 8.370 0.124 0.000 0.446 169 S N -0.147 115.610 115.700 0.095 0.000 2.576 169 S HA -0.074 nan 4.470 nan 0.000 0.272 169 S C 1.108 175.744 174.600 0.060 0.000 1.352 169 S CA 0.794 59.045 58.200 0.085 0.000 1.021 169 S CB 1.710 64.983 63.200 0.122 0.000 0.887 169 S HN -0.505 7.797 8.310 0.111 0.075 0.542 170 A N 2.513 125.358 122.820 0.041 0.000 1.933 170 A HA -0.242 nan 4.320 nan 0.000 0.218 170 A C 1.990 179.562 177.584 -0.019 0.000 1.175 170 A CA 3.215 55.260 52.037 0.013 0.000 0.628 170 A CB -0.796 18.210 19.000 0.009 0.000 0.814 170 A HN 0.690 8.867 8.150 0.045 0.000 0.444 171 D N -1.293 119.098 120.400 -0.015 0.000 2.084 171 D HA -0.263 nan 4.640 nan 0.000 0.194 171 D C 2.286 178.457 176.300 -0.216 0.000 0.990 171 D CA 3.387 57.309 54.000 -0.131 0.000 0.826 171 D CB -0.551 40.217 40.800 -0.053 0.000 0.971 171 D HN -0.011 8.375 8.370 0.033 0.004 0.453 172 A N -0.410 122.413 122.820 0.006 0.000 1.940 172 A HA -0.327 nan 4.320 nan 0.000 0.219 172 A C 1.986 179.564 177.584 -0.010 0.000 1.176 172 A CA 3.178 55.260 52.037 0.074 0.000 0.631 172 A CB -0.718 18.404 19.000 0.204 0.000 0.814 172 A HN -0.060 8.163 8.150 0.123 0.000 0.446 173 E N -1.745 118.451 120.200 -0.006 0.000 2.085 173 E HA -0.403 nan 4.350 nan 0.000 0.194 173 E C 2.220 178.797 176.600 -0.038 0.000 0.994 173 E CA 3.311 59.705 56.400 -0.010 0.000 0.801 173 E CB -0.185 29.513 29.700 -0.003 0.000 0.743 173 E HN -0.325 8.038 8.360 0.013 0.004 0.453 174 K N -0.414 119.936 120.400 -0.084 0.000 2.057 174 K HA -0.246 nan 4.320 nan 0.000 0.206 174 K C 2.387 178.933 176.600 -0.091 0.000 1.050 174 K CA 3.273 59.504 56.287 -0.092 0.000 0.935 174 K CB 0.024 32.438 32.500 -0.143 0.000 0.715 174 K HN -0.382 7.699 8.250 -0.104 0.106 0.439 175 V N 0.414 120.213 119.914 -0.192 0.000 2.287 175 V HA -0.423 nan 4.120 nan 0.000 0.248 175 V C 2.015 178.125 176.094 0.025 0.000 1.053 175 V CA 4.653 66.856 62.300 -0.162 0.000 1.027 175 V CB -0.637 30.977 31.823 -0.347 0.000 0.646 175 V HN -0.038 7.979 8.190 -0.289 0.000 0.447 176 I N -1.845 118.736 120.570 0.017 0.000 2.286 176 I HA -0.632 nan 4.170 nan 0.000 0.248 176 I C 1.622 177.759 176.117 0.032 0.000 1.115 176 I CA 4.410 65.734 61.300 0.040 0.000 1.392 176 I CB -0.616 37.403 38.000 0.031 0.000 1.065 176 I HN 0.104 8.307 8.210 -0.011 0.000 0.418 177 K N 0.269 120.684 120.400 0.026 0.000 2.063 177 K HA -0.395 nan 4.320 nan 0.000 0.208 177 K C 2.133 178.753 176.600 0.033 0.000 1.048 177 K CA 3.574 59.872 56.287 0.019 0.000 0.928 177 K CB -0.234 32.276 32.500 0.017 0.000 0.713 177 K HN -0.553 7.705 8.250 0.013 0.000 0.442 178 F N 0.432 120.347 119.950 -0.058 0.000 2.046 178 F HA -0.413 nan 4.527 nan 0.000 0.297 178 F C 1.707 177.489 175.800 -0.029 0.000 1.123 178 F CA 3.502 61.472 58.000 -0.050 0.000 1.199 178 F CB 0.101 39.059 39.000 -0.071 0.000 0.972 178 F HN -0.270 8.069 8.300 0.178 0.068 0.474 179 L N -2.594 118.649 121.223 0.034 0.000 1.997 179 L HA -0.599 nan 4.340 nan 0.000 0.216 179 L C 2.560 179.356 176.870 -0.124 0.000 1.074 179 L CA 3.654 58.470 54.840 -0.039 0.000 0.763 179 L CB -0.668 41.437 42.059 0.076 0.000 0.890 179 L HN 0.318 8.669 8.230 0.203 0.000 0.434 180 R N -2.560 117.891 120.500 -0.081 0.000 2.055 180 R HA -0.238 nan 4.340 nan 0.000 0.226 180 R C 2.968 179.201 176.300 -0.112 0.000 1.135 180 R CA 3.060 59.113 56.100 -0.079 0.000 0.959 180 R CB -0.190 30.084 30.300 -0.043 0.000 0.854 180 R HN -0.001 8.244 8.270 -0.042 0.000 0.431 181 E N -0.575 119.554 120.200 -0.119 0.000 2.017 181 E HA -0.232 nan 4.350 nan 0.000 0.193 181 E C 1.781 178.271 176.600 -0.183 0.000 0.997 181 E CA 2.734 59.062 56.400 -0.119 0.000 0.804 181 E CB 0.066 29.715 29.700 -0.086 0.000 0.757 181 E HN -0.169 8.131 8.360 -0.100 0.000 0.448 182 E N -2.505 117.495 120.200 -0.335 0.000 2.127 182 E HA -0.072 nan 4.350 nan 0.000 0.191 182 E C 1.414 177.743 176.600 -0.452 0.000 0.964 182 E CA 1.203 57.336 56.400 -0.445 0.000 0.832 182 E CB 0.316 29.599 29.700 -0.694 0.000 0.790 182 E HN -0.328 7.701 8.360 -0.388 0.099 0.465 183 M N -2.775 116.510 119.600 -0.526 0.000 2.556 183 M HA 0.053 nan 4.480 nan 0.000 0.245 183 M C 0.450 176.663 176.300 -0.145 0.000 1.128 183 M CA -1.563 53.557 55.300 -0.300 0.000 1.069 183 M CB 0.706 33.165 32.600 -0.235 0.000 1.469 183 M HN -0.322 7.527 8.290 -0.586 0.089 0.494 184 G N -1.434 107.284 108.800 -0.137 0.000 2.198 184 G HA2 -0.250 nan 3.960 nan 0.000 0.257 184 G HA3 -0.250 nan 3.960 nan 0.000 0.257 184 G C -0.102 174.767 174.900 -0.051 0.000 1.042 184 G CA 0.196 45.248 45.100 -0.079 0.000 0.791 184 G HN -0.496 7.641 8.290 -0.177 0.047 0.502 185 V N 1.079 120.961 119.914 -0.053 0.000 2.223 185 V HA -0.069 nan 4.120 nan 0.000 0.249 185 V C 0.415 176.494 176.094 -0.025 0.000 1.233 185 V CA -0.809 61.477 62.300 -0.023 0.000 1.131 185 V CB -1.778 30.042 31.823 -0.004 0.000 1.298 185 V HN -0.261 7.882 8.190 -0.078 0.000 0.498 186 K N 7.419 127.804 120.400 -0.026 0.000 2.968 186 K HA -0.014 nan 4.320 nan 0.000 0.249 186 K C -0.349 176.232 176.600 -0.032 0.000 1.062 186 K CA 0.709 56.978 56.287 -0.030 0.000 1.215 186 K CB -1.269 31.214 32.500 -0.029 0.000 1.097 186 K HN 0.110 8.302 8.250 -0.024 0.043 0.462 187 K N -1.114 119.270 120.400 -0.027 0.000 2.517 187 K HA 0.085 nan 4.320 nan 0.000 0.210 187 K C -0.627 175.951 176.600 -0.035 0.000 1.166 187 K CA -0.541 55.727 56.287 -0.032 0.000 1.030 187 K CB 1.501 33.991 32.500 -0.016 0.000 0.974 187 K HN -0.424 7.712 8.250 -0.020 0.102 0.585 188 I N 2.608 123.163 120.570 -0.026 0.000 2.379 188 I HA -0.196 nan 4.170 nan 0.000 0.290 188 I C -0.426 175.650 176.117 -0.068 0.000 1.063 188 I CA 0.444 61.736 61.300 -0.015 0.000 1.351 188 I CB 0.189 38.201 38.000 0.018 0.000 1.410 188 I HN -0.475 7.722 8.210 -0.021 0.000 0.505 189 R N 7.087 127.509 120.500 -0.129 0.000 2.080 189 R HA -0.204 nan 4.340 nan 0.000 0.236 189 R C -0.613 175.405 176.300 -0.470 0.000 1.137 189 R CA 2.024 57.910 56.100 -0.356 0.000 0.943 189 R CB 0.315 30.314 30.300 -0.502 0.000 0.846 189 R HN 0.385 8.604 8.270 -0.084 0.000 0.431 190 F N -2.006 117.951 119.950 0.012 0.000 2.564 190 F HA 0.436 nan 4.527 nan 0.000 0.368 190 F C -1.151 174.644 175.800 -0.009 0.000 1.127 190 F CA -3.367 54.634 58.000 0.003 0.000 1.170 190 F CB 0.171 39.182 39.000 0.019 0.000 1.397 190 F HN -0.384 7.955 8.300 0.064 0.000 0.493 191 P HA -0.203 nan 4.420 nan 0.000 0.218 191 P C -0.501 176.805 177.300 0.010 0.000 1.148 191 P CA 0.956 64.089 63.100 0.055 0.000 0.822 191 P CB 0.341 32.053 31.700 0.020 0.000 0.784 192 E N -1.913 118.251 120.200 -0.060 0.000 2.366 192 E HA -0.179 nan 4.350 nan 0.000 0.266 192 E C -0.475 175.903 176.600 -0.371 0.000 1.015 192 E CA 0.416 56.626 56.400 -0.317 0.000 0.906 192 E CB -0.047 29.365 29.700 -0.480 0.000 0.979 192 E HN -0.383 7.957 8.360 -0.007 0.016 0.443 193 H N -1.821 117.279 119.070 0.051 0.000 2.631 193 H HA -0.341 nan 4.556 nan 0.000 0.322 193 H C -1.732 173.630 175.328 0.056 0.000 1.035 193 H CA 0.569 56.642 56.048 0.040 0.000 1.070 193 H CB -3.002 26.768 29.762 0.014 0.000 1.622 193 H HN 0.245 8.469 8.280 -0.228 -0.081 0.373 194 C N 0.359 119.742 119.300 0.139 0.000 2.482 194 C HA 0.204 nan 4.460 nan 0.000 0.317 194 C C -0.856 174.210 174.990 0.126 0.000 1.197 194 C CA -1.140 57.957 59.018 0.131 0.000 1.432 194 C CB 2.368 30.181 27.740 0.122 0.000 2.062 194 C HN -0.045 8.258 8.230 0.122 0.000 0.471 195 G N 5.477 114.346 108.800 0.114 0.000 2.400 195 G HA2 0.536 nan 3.960 nan 0.000 0.301 195 G HA3 0.536 nan 3.960 nan 0.000 0.301 195 G C -1.263 173.711 174.900 0.123 0.000 1.154 195 G CA -0.734 44.432 45.100 0.110 0.000 0.852 195 G HN 0.146 8.500 8.290 0.106 0.000 0.511 196 I N 2.041 122.707 120.570 0.160 0.000 2.498 196 I HA 0.221 nan 4.170 nan 0.000 0.290 196 I C -1.156 175.016 176.117 0.091 0.000 1.032 196 I CA -1.377 60.034 61.300 0.185 0.000 1.073 196 I CB 2.729 40.932 38.000 0.339 0.000 1.251 196 I HN -0.091 8.227 8.210 0.180 0.000 0.426 197 G N 4.044 112.869 108.800 0.041 0.000 2.453 197 G HA2 0.685 nan 3.960 nan 0.000 0.323 197 G HA3 0.685 nan 3.960 nan 0.000 0.323 197 G C -1.469 173.430 174.900 -0.002 0.000 1.198 197 G CA -1.409 43.656 45.100 -0.058 0.000 0.959 197 G HN 0.090 8.422 8.290 0.070 0.000 0.482 198 I N 0.707 121.244 120.570 -0.054 0.000 2.474 198 I HA 0.119 nan 4.170 nan 0.000 0.294 198 I C -1.378 174.754 176.117 0.025 0.000 1.005 198 I CA -1.924 59.394 61.300 0.029 0.000 1.113 198 I CB 2.805 40.834 38.000 0.047 0.000 1.289 198 I HN 0.236 8.361 8.210 -0.143 0.000 0.436 199 K N 6.948 127.384 120.400 0.062 0.000 2.572 199 K HA 0.336 nan 4.320 nan 0.000 0.244 199 K C -2.359 174.294 176.600 0.089 0.000 0.965 199 K CA -3.398 52.927 56.287 0.063 0.000 0.943 199 K CB 1.737 34.271 32.500 0.056 0.000 1.154 199 K HN 0.125 8.425 8.250 0.083 0.000 0.447 200 P HA 0.194 nan 4.420 nan 0.000 0.287 200 P C -2.172 175.209 177.300 0.134 0.000 1.279 200 P CA -0.605 62.562 63.100 0.112 0.000 0.867 200 P CB 1.791 33.545 31.700 0.090 0.000 1.127 201 C N 0.546 119.959 119.300 0.189 0.000 2.982 201 C HA 0.177 nan 4.460 nan 0.000 0.372 201 C C -1.259 173.941 174.990 0.349 0.000 1.061 201 C CA -1.227 57.954 59.018 0.272 0.000 1.309 201 C CB 0.419 28.355 27.740 0.327 0.000 1.766 201 C HN 0.103 8.451 8.230 0.196 0.000 0.504 202 S N 7.023 122.814 115.700 0.151 0.000 2.654 202 S HA 0.310 nan 4.470 nan 0.000 0.283 202 S C 0.773 175.030 174.600 -0.573 0.000 1.180 202 S CA -0.967 57.175 58.200 -0.096 0.000 1.021 202 S CB 2.422 65.558 63.200 -0.107 0.000 1.018 202 S HN 0.020 8.878 8.310 0.113 -0.481 0.532 203 E N 3.384 122.879 120.200 -1.175 0.000 2.049 203 E HA -0.464 nan 4.350 nan 0.000 0.198 203 E C 1.892 178.047 176.600 -0.742 0.000 1.007 203 E CA 4.544 59.941 56.400 -1.670 0.000 0.809 203 E CB -0.321 28.719 29.700 -1.099 0.000 0.749 203 E HN 0.804 8.642 8.360 -0.870 0.000 0.450 204 E N -1.652 118.271 120.200 -0.460 0.000 2.033 204 E HA -0.300 nan 4.350 nan 0.000 0.199 204 E C 2.307 178.774 176.600 -0.222 0.000 1.011 204 E CA 3.368 59.599 56.400 -0.283 0.000 0.815 204 E CB -0.650 28.923 29.700 -0.212 0.000 0.755 204 E HN 0.350 8.446 8.360 -0.454 -0.008 0.451 205 G N -2.393 106.309 108.800 -0.164 0.000 2.446 205 G HA2 -0.335 nan 3.960 nan 0.000 0.217 205 G HA3 -0.335 nan 3.960 nan 0.000 0.217 205 G C 1.257 176.164 174.900 0.011 0.000 1.168 205 G CA 2.305 47.358 45.100 -0.078 0.000 0.771 205 G HN 0.152 8.345 8.290 -0.161 0.000 0.551 206 T N 0.048 114.643 114.554 0.068 0.000 2.812 206 T HA -0.222 nan 4.350 nan 0.000 0.264 206 T C 2.213 176.925 174.700 0.021 0.000 1.042 206 T CA 3.710 65.924 62.100 0.190 0.000 1.140 206 T CB -0.547 68.534 68.868 0.355 0.000 0.870 206 T HN -0.291 7.945 8.240 -0.006 0.000 0.445 207 K N 2.218 122.576 120.400 -0.069 0.000 2.057 207 K HA -0.323 nan 4.320 nan 0.000 0.207 207 K C 2.326 178.899 176.600 -0.045 0.000 1.049 207 K CA 3.764 60.004 56.287 -0.078 0.000 0.931 207 K CB -0.011 32.403 32.500 -0.143 0.000 0.714 207 K HN -0.066 8.101 8.250 -0.139 0.000 0.440 208 R N -1.231 119.221 120.500 -0.080 0.000 2.120 208 R HA -0.273 nan 4.340 nan 0.000 0.234 208 R C 2.240 178.584 176.300 0.073 0.000 1.123 208 R CA 2.897 58.954 56.100 -0.072 0.000 0.975 208 R CB -0.547 29.576 30.300 -0.294 0.000 0.866 208 R HN -0.167 8.030 8.270 -0.121 0.000 0.446 209 L N -0.021 121.266 121.223 0.107 0.000 2.005 209 L HA -0.242 nan 4.340 nan 0.000 0.207 209 L C 1.672 178.616 176.870 0.122 0.000 1.072 209 L CA 3.224 58.201 54.840 0.229 0.000 0.744 209 L CB 0.056 42.281 42.059 0.276 0.000 0.895 209 L HN -0.572 7.693 8.230 0.055 -0.001 0.433 210 V N -0.674 119.249 119.914 0.016 0.000 2.490 210 V HA -0.501 nan 4.120 nan 0.000 0.250 210 V C 2.014 178.038 176.094 -0.117 0.000 1.061 210 V CA 4.152 66.388 62.300 -0.108 0.000 1.064 210 V CB -1.364 30.344 31.823 -0.191 0.000 0.670 210 V HN 0.119 8.315 8.190 0.010 0.000 0.461 211 R N -0.322 120.179 120.500 0.003 0.000 2.083 211 R HA -0.452 nan 4.340 nan 0.000 0.237 211 R C 1.714 178.040 176.300 0.043 0.000 1.137 211 R CA 3.805 59.968 56.100 0.104 0.000 0.951 211 R CB -0.251 30.144 30.300 0.159 0.000 0.851 211 R HN 0.123 8.392 8.270 0.028 0.018 0.434 212 A N -2.041 120.818 122.820 0.065 0.000 1.858 212 A HA -0.271 nan 4.320 nan 0.000 0.216 212 A C 1.896 179.340 177.584 -0.234 0.000 1.190 212 A CA 2.887 54.972 52.037 0.081 0.000 0.617 212 A CB -0.897 18.268 19.000 0.276 0.000 0.827 212 A HN -0.625 7.592 8.150 0.111 0.000 0.443 213 A N -1.241 121.226 122.820 -0.590 0.000 1.873 213 A HA -0.362 nan 4.320 nan 0.000 0.218 213 A C 2.186 179.385 177.584 -0.641 0.000 1.193 213 A CA 3.064 54.376 52.037 -1.207 0.000 0.629 213 A CB -0.755 17.726 19.000 -0.865 0.000 0.826 213 A HN -0.395 7.558 8.150 -0.328 0.000 0.447 214 I N -2.419 117.859 120.570 -0.487 0.000 2.226 214 I HA -0.623 nan 4.170 nan 0.000 0.245 214 I C 2.024 177.920 176.117 -0.368 0.000 1.100 214 I CA 4.248 65.245 61.300 -0.505 0.000 1.374 214 I CB -0.448 37.014 38.000 -0.897 0.000 1.057 214 I HN 0.022 7.958 8.210 -0.457 0.000 0.413 215 E N -0.208 119.841 120.200 -0.253 0.000 2.118 215 E HA -0.449 nan 4.350 nan 0.000 0.195 215 E C 2.268 178.870 176.600 0.003 0.000 0.992 215 E CA 3.297 59.677 56.400 -0.033 0.000 0.804 215 E CB -0.362 29.400 29.700 0.103 0.000 0.741 215 E HN -0.532 7.681 8.360 -0.246 0.000 0.458 216 Y N 0.450 120.683 120.300 -0.113 0.000 2.145 216 Y HA -0.494 nan 4.550 nan 0.000 0.286 216 Y C 1.081 176.963 175.900 -0.030 0.000 1.145 216 Y CA 3.483 61.580 58.100 -0.005 0.000 1.148 216 Y CB -0.153 38.347 38.460 0.067 0.000 0.981 216 Y HN -0.341 7.824 8.280 -0.013 0.107 0.507 217 A N -0.377 122.493 122.820 0.083 0.000 1.873 217 A HA -0.437 nan 4.320 nan 0.000 0.218 217 A C 2.198 179.745 177.584 -0.062 0.000 1.193 217 A CA 3.158 55.207 52.037 0.019 0.000 0.629 217 A CB -0.998 17.969 19.000 -0.055 0.000 0.826 217 A HN -0.350 7.748 8.150 0.032 0.071 0.447 218 I N -1.050 119.476 120.570 -0.073 0.000 2.099 218 I HA -0.599 nan 4.170 nan 0.000 0.239 218 I C 2.485 178.569 176.117 -0.055 0.000 1.066 218 I CA 3.881 65.155 61.300 -0.043 0.000 1.324 218 I CB -0.340 37.661 38.000 0.002 0.000 1.037 218 I HN 0.052 8.204 8.210 -0.095 0.000 0.401 219 A N -0.396 122.378 122.820 -0.077 0.000 1.892 219 A HA -0.303 nan 4.320 nan 0.000 0.218 219 A C 1.235 178.733 177.584 -0.143 0.000 1.188 219 A CA 2.939 54.918 52.037 -0.097 0.000 0.631 219 A CB -0.633 18.306 19.000 -0.103 0.000 0.822 219 A HN 0.158 8.270 8.150 -0.063 0.000 0.447 220 N N -5.309 113.243 118.700 -0.247 0.000 2.276 220 N HA 0.127 nan 4.740 nan 0.000 0.212 220 N C -0.800 174.649 175.510 -0.102 0.000 1.127 220 N CA -0.178 52.738 53.050 -0.223 0.000 0.834 220 N CB 0.916 39.142 38.487 -0.435 0.000 1.014 220 N HN -0.525 7.672 8.380 -0.306 0.000 0.491 221 D N -1.504 118.853 120.400 -0.071 0.000 2.751 221 D HA -0.404 nan 4.640 nan 0.000 0.233 221 D C -0.668 175.628 176.300 -0.007 0.000 1.149 221 D CA 1.720 55.703 54.000 -0.029 0.000 0.682 221 D CB -0.259 40.530 40.800 -0.018 0.000 1.068 221 D HN -0.256 7.869 8.370 -0.082 0.196 0.429 222 R N -2.461 118.042 120.500 0.005 0.000 2.738 222 R HA -0.059 nan 4.340 nan 0.000 0.268 222 R C 0.728 177.040 176.300 0.019 0.000 1.062 222 R CA -0.480 55.647 56.100 0.045 0.000 1.158 222 R CB 0.125 30.495 30.300 0.118 0.000 1.046 222 R HN -0.151 7.987 8.270 -0.015 0.123 0.493 223 D N 0.365 120.779 120.400 0.023 0.000 2.249 223 D HA 0.021 nan 4.640 nan 0.000 0.205 223 D C -0.404 175.887 176.300 -0.015 0.000 0.962 223 D CA 2.623 56.626 54.000 0.004 0.000 0.860 223 D CB 0.406 41.209 40.800 0.006 0.000 0.955 223 D HN -0.036 8.656 8.370 0.040 -0.299 0.505 224 S N -5.817 109.871 115.700 -0.020 0.000 2.611 224 S HA 0.465 nan 4.470 nan 0.000 0.268 224 S C -1.914 172.645 174.600 -0.067 0.000 1.156 224 S CA -0.835 57.329 58.200 -0.059 0.000 0.817 224 S CB 2.488 65.644 63.200 -0.074 0.000 1.122 224 S HN -0.796 7.515 8.310 0.002 0.000 0.466 225 V N -0.457 119.380 119.914 -0.128 0.000 2.447 225 V HA 0.371 nan 4.120 nan 0.000 0.292 225 V C -1.390 174.594 176.094 -0.184 0.000 1.021 225 V CA -0.331 61.877 62.300 -0.153 0.000 0.850 225 V CB 2.415 34.103 31.823 -0.226 0.000 1.005 225 V HN 0.696 8.787 8.190 -0.165 0.000 0.426 226 T N 10.313 124.800 114.554 -0.112 0.000 2.743 226 T HA 0.581 nan 4.350 nan 0.000 0.292 226 T C -1.330 173.280 174.700 -0.149 0.000 0.972 226 T CA -0.506 61.516 62.100 -0.129 0.000 0.967 226 T CB 0.331 69.195 68.868 -0.008 0.000 0.926 226 T HN 0.289 8.497 8.240 -0.053 0.000 0.459 227 L N 8.692 129.830 121.223 -0.142 0.000 2.261 227 L HA 0.594 nan 4.340 nan 0.000 0.289 227 L C -1.181 175.749 176.870 0.101 0.000 1.059 227 L CA -0.734 54.101 54.840 -0.009 0.000 0.816 227 L CB -0.183 41.789 42.059 -0.145 0.000 1.191 227 L HN 0.658 8.776 8.230 -0.187 0.000 0.431 228 V N 3.188 123.128 119.914 0.043 0.000 2.617 228 V HA 0.742 nan 4.120 nan 0.000 0.298 228 V C -2.212 173.976 176.094 0.157 0.000 1.048 228 V CA -2.869 59.399 62.300 -0.053 0.000 0.964 228 V CB 1.637 33.138 31.823 -0.537 0.000 1.004 228 V HN 0.390 8.615 8.190 0.059 0.000 0.466 229 H N 0.307 119.351 119.070 -0.044 0.000 3.140 229 H HA 0.356 nan 4.556 nan 0.000 0.336 229 H C -1.535 173.789 175.328 -0.006 0.000 1.142 229 H CA -1.442 54.596 56.048 -0.017 0.000 1.308 229 H CB 2.701 32.525 29.762 0.104 0.000 1.970 229 H HN -0.106 8.082 8.280 -0.153 0.000 0.521 230 K N 4.189 124.547 120.400 -0.070 0.000 2.333 230 K HA 0.099 nan 4.320 nan 0.000 0.241 230 K C -0.478 176.115 176.600 -0.012 0.000 1.193 230 K CA -2.903 53.332 56.287 -0.087 0.000 1.142 230 K CB -1.656 30.825 32.500 -0.032 0.000 1.731 230 K HN 0.474 9.104 8.250 -0.020 -0.392 0.344 231 G N 1.882 110.702 108.800 0.033 0.000 3.434 231 G HA2 0.248 nan 3.960 nan 0.000 0.258 231 G HA3 0.248 nan 3.960 nan 0.000 0.258 231 G C -1.053 173.912 174.900 0.108 0.000 1.128 231 G CA 0.010 45.258 45.100 0.245 0.000 0.792 231 G HN -0.379 7.728 8.290 -0.256 0.029 0.539 232 N N -2.975 115.737 118.700 0.019 0.000 2.254 232 N HA 0.028 nan 4.740 nan 0.000 0.190 232 N C -0.702 174.780 175.510 -0.048 0.000 1.107 232 N CA 0.999 54.045 53.050 -0.007 0.000 0.869 232 N CB -0.511 37.975 38.487 -0.000 0.000 0.983 232 N HN -0.188 8.183 8.380 -0.015 0.000 0.487 233 I N -2.307 118.232 120.570 -0.052 0.000 3.443 233 I HA 0.118 nan 4.170 nan 0.000 0.277 233 I C -0.098 175.959 176.117 -0.100 0.000 1.169 233 I CA 0.366 61.627 61.300 -0.066 0.000 1.419 233 I CB 0.571 38.549 38.000 -0.037 0.000 1.331 233 I HN -0.693 7.448 8.210 -0.035 0.048 0.458 234 M N 0.747 120.302 119.600 -0.076 0.000 2.664 234 M HA 0.096 nan 4.480 nan 0.000 0.332 234 M C -0.584 175.631 176.300 -0.142 0.000 1.354 234 M CA -0.829 54.419 55.300 -0.088 0.000 1.399 234 M CB -1.276 31.310 32.600 -0.022 0.000 1.224 234 M HN -0.588 7.677 8.290 -0.042 0.000 0.479 235 K N 2.389 122.576 120.400 -0.354 0.000 2.228 235 K HA -0.190 nan 4.320 nan 0.000 0.202 235 K C 0.094 176.437 176.600 -0.428 0.000 1.051 235 K CA 2.580 58.560 56.287 -0.512 0.000 0.960 235 K CB 0.142 32.093 32.500 -0.916 0.000 0.743 235 K HN -0.280 7.718 8.250 -0.419 0.000 0.458 236 F N -5.277 114.667 119.950 -0.009 0.000 2.678 236 F HA 0.187 nan 4.527 nan 0.000 0.305 236 F C 0.295 176.092 175.800 -0.005 0.000 1.090 236 F CA -1.553 56.429 58.000 -0.031 0.000 1.272 236 F CB 0.477 39.477 39.000 -0.001 0.000 1.060 236 F HN -0.142 7.922 8.300 -0.328 0.039 0.576 237 T N -7.313 107.320 114.554 0.131 0.000 3.397 237 T HA 0.038 nan 4.350 nan 0.000 0.233 237 T C 1.381 176.158 174.700 0.129 0.000 0.969 237 T CA -0.144 62.042 62.100 0.144 0.000 1.316 237 T CB 0.939 69.876 68.868 0.116 0.000 1.175 237 T HN -0.415 7.860 8.240 0.057 0.000 0.381 238 E N 3.340 123.595 120.200 0.092 0.000 2.106 238 E HA -0.252 nan 4.350 nan 0.000 0.192 238 E C 2.261 178.953 176.600 0.153 0.000 0.984 238 E CA 2.793 59.272 56.400 0.132 0.000 0.806 238 E CB -0.360 29.398 29.700 0.098 0.000 0.750 238 E HN 0.112 8.508 8.360 0.060 0.000 0.458 239 G N -2.598 106.242 108.800 0.066 0.000 2.471 239 G HA2 -0.189 nan 3.960 nan 0.000 0.219 239 G HA3 -0.189 nan 3.960 nan 0.000 0.219 239 G C 0.403 175.236 174.900 -0.112 0.000 1.125 239 G CA 1.634 46.734 45.100 0.001 0.000 0.775 239 G HN 0.338 8.646 8.290 0.031 0.000 0.548 240 A N 1.012 123.742 122.820 -0.150 0.000 2.081 240 A HA 0.147 nan 4.320 nan 0.000 0.214 240 A C 0.994 178.360 177.584 -0.363 0.000 1.158 240 A CA 1.524 53.247 52.037 -0.522 0.000 0.724 240 A CB -0.583 17.948 19.000 -0.783 0.000 0.826 240 A HN -0.726 7.243 8.150 -0.049 0.152 0.463 241 F N 0.898 120.778 119.950 -0.117 0.000 2.075 241 F HA -0.443 nan 4.527 nan 0.000 0.297 241 F C 0.876 176.665 175.800 -0.017 0.000 1.113 241 F CA 3.075 61.109 58.000 0.057 0.000 1.218 241 F CB 0.258 39.287 39.000 0.048 0.000 0.984 241 F HN -0.556 7.685 8.300 0.166 0.158 0.472 242 K N -1.000 119.328 120.400 -0.119 0.000 2.001 242 K HA -0.527 nan 4.320 nan 0.000 0.214 242 K C 1.947 178.509 176.600 -0.063 0.000 1.050 242 K CA 3.877 60.027 56.287 -0.229 0.000 0.934 242 K CB -0.325 31.864 32.500 -0.518 0.000 0.718 242 K HN -0.685 7.564 8.250 -0.001 0.000 0.443 243 D N -0.867 119.453 120.400 -0.133 0.000 2.103 243 D HA -0.269 nan 4.640 nan 0.000 0.190 243 D C 2.424 178.724 176.300 0.001 0.000 0.997 243 D CA 3.387 57.325 54.000 -0.103 0.000 0.833 243 D CB -0.619 40.023 40.800 -0.264 0.000 0.961 243 D HN -0.712 7.528 8.370 -0.215 0.000 0.447 244 W N -0.939 120.339 121.300 -0.037 0.000 2.325 244 W HA -0.227 nan 4.660 nan 0.000 0.299 244 W C 2.438 178.888 176.519 -0.116 0.000 1.215 244 W CA 2.338 59.645 57.345 -0.063 0.000 1.244 244 W CB -0.837 28.580 29.460 -0.071 0.000 1.140 244 W HN -0.069 7.918 8.180 -0.322 0.000 0.523 245 G N -1.450 107.331 108.800 -0.031 0.000 2.421 245 G HA2 -0.400 nan 3.960 nan 0.000 0.216 245 G HA3 -0.400 nan 3.960 nan 0.000 0.216 245 G C 1.200 176.018 174.900 -0.135 0.000 1.171 245 G CA 2.139 47.114 45.100 -0.208 0.000 0.775 245 G HN -0.014 8.202 8.290 -0.110 0.008 0.543 246 Y N 2.234 122.482 120.300 -0.087 0.000 2.145 246 Y HA -0.425 nan 4.550 nan 0.000 0.286 246 Y C 1.934 177.841 175.900 0.012 0.000 1.145 246 Y CA 4.112 62.190 58.100 -0.038 0.000 1.148 246 Y CB -0.131 38.309 38.460 -0.032 0.000 0.981 246 Y HN -0.146 8.198 8.280 0.105 0.000 0.507 247 Q N -0.578 119.343 119.800 0.201 0.000 2.062 247 Q HA -0.481 nan 4.340 nan 0.000 0.209 247 Q C 2.236 178.313 176.000 0.128 0.000 0.996 247 Q CA 3.578 59.477 55.803 0.161 0.000 0.859 247 Q CB -0.200 28.656 28.738 0.198 0.000 0.920 247 Q HN 0.134 8.533 8.270 0.216 0.000 0.415 248 L N -0.931 120.358 121.223 0.110 0.000 2.013 248 L HA -0.422 nan 4.340 nan 0.000 0.212 248 L C 1.781 178.758 176.870 0.179 0.000 1.073 248 L CA 3.230 58.139 54.840 0.115 0.000 0.753 248 L CB -0.344 41.764 42.059 0.081 0.000 0.890 248 L HN 0.059 8.354 8.230 0.108 0.000 0.432 249 A N -2.375 120.510 122.820 0.108 0.000 1.940 249 A HA -0.376 nan 4.320 nan 0.000 0.219 249 A C 2.567 180.249 177.584 0.164 0.000 1.176 249 A CA 2.967 55.071 52.037 0.111 0.000 0.631 249 A CB -0.887 18.083 19.000 -0.050 0.000 0.814 249 A HN -0.240 7.931 8.150 0.034 0.000 0.446 250 R N -1.778 118.803 120.500 0.136 0.000 2.055 250 R HA -0.280 nan 4.340 nan 0.000 0.228 250 R C 2.687 179.044 176.300 0.095 0.000 1.143 250 R CA 3.264 59.434 56.100 0.118 0.000 0.945 250 R CB 0.070 30.438 30.300 0.113 0.000 0.841 250 R HN -0.191 8.045 8.270 0.131 0.113 0.429 251 E N -0.241 120.010 120.200 0.085 0.000 1.996 251 E HA -0.242 nan 4.350 nan 0.000 0.197 251 E C 2.155 178.753 176.600 -0.003 0.000 1.002 251 E CA 2.800 59.226 56.400 0.043 0.000 0.840 251 E CB 0.037 29.762 29.700 0.041 0.000 0.786 251 E HN -0.011 8.411 8.360 0.102 0.000 0.469 252 E N -3.079 117.107 120.200 -0.022 0.000 2.285 252 E HA -0.184 nan 4.350 nan 0.000 0.194 252 E C 1.371 177.691 176.600 -0.467 0.000 0.997 252 E CA 1.917 58.172 56.400 -0.241 0.000 0.845 252 E CB 0.659 30.176 29.700 -0.305 0.000 0.782 252 E HN -0.447 7.946 8.360 0.054 0.000 0.491 253 F N -4.321 115.624 119.950 -0.009 0.000 2.728 253 F HA 0.200 nan 4.527 nan 0.000 0.314 253 F C -0.872 174.928 175.800 -0.000 0.000 1.094 253 F CA 0.009 58.003 58.000 -0.009 0.000 1.217 253 F CB 1.315 40.302 39.000 -0.022 0.000 1.056 253 F HN -0.777 7.593 8.300 0.189 0.043 0.577 254 G N -1.522 107.355 108.800 0.130 0.000 2.204 254 G HA2 -0.384 nan 3.960 nan 0.000 0.244 254 G HA3 -0.384 nan 3.960 nan 0.000 0.244 254 G C 0.248 175.205 174.900 0.096 0.000 1.062 254 G CA -0.171 44.982 45.100 0.088 0.000 0.798 254 G HN -0.618 7.646 8.290 0.120 0.098 0.496 255 G N 0.500 109.366 108.800 0.111 0.000 2.272 255 G HA2 -0.193 nan 3.960 nan 0.000 0.247 255 G HA3 -0.193 nan 3.960 nan 0.000 0.247 255 G C -0.888 174.068 174.900 0.094 0.000 1.272 255 G CA 0.170 45.332 45.100 0.104 0.000 0.921 255 G HN -0.352 7.904 8.290 0.129 0.112 0.495 256 E N 3.449 123.702 120.200 0.088 0.000 2.214 256 E HA 0.100 nan 4.350 nan 0.000 0.274 256 E C -0.890 175.768 176.600 0.097 0.000 0.977 256 E CA -1.783 54.664 56.400 0.078 0.000 0.827 256 E CB 2.837 32.576 29.700 0.065 0.000 1.130 256 E HN -0.115 8.194 8.360 0.087 0.104 0.394 257 L N 1.844 123.118 121.223 0.085 0.000 2.371 257 L HA 0.206 nan 4.340 nan 0.000 0.272 257 L C -0.868 176.055 176.870 0.088 0.000 1.124 257 L CA -0.034 54.863 54.840 0.095 0.000 0.816 257 L CB 0.763 42.861 42.059 0.064 0.000 1.129 257 L HN 0.211 8.482 8.230 0.068 0.000 0.448 258 I N 7.027 127.666 120.570 0.115 0.000 2.287 258 I HA -0.101 nan 4.170 nan 0.000 0.290 258 I C -0.176 175.955 176.117 0.024 0.000 1.069 258 I CA -0.014 61.339 61.300 0.088 0.000 1.237 258 I CB -0.642 37.450 38.000 0.154 0.000 1.418 258 I HN 0.505 8.809 8.210 0.156 0.000 0.481 259 D N 7.933 128.338 120.400 0.009 0.000 3.927 259 D HA -0.375 nan 4.640 nan 0.000 0.142 259 D C 0.339 176.626 176.300 -0.022 0.000 0.830 259 D CA 2.421 56.411 54.000 -0.016 0.000 1.091 259 D CB -0.632 40.144 40.800 -0.041 0.000 0.495 259 D HN 0.302 8.685 8.370 0.021 0.000 0.489 260 G N 0.869 109.640 108.800 -0.047 0.000 3.262 260 G HA2 0.028 nan 3.960 nan 0.000 0.228 260 G HA3 0.028 nan 3.960 nan 0.000 0.228 260 G C -0.857 174.012 174.900 -0.051 0.000 1.197 260 G CA -0.112 44.960 45.100 -0.046 0.000 0.819 260 G HN 0.497 8.745 8.290 -0.069 0.000 0.531 261 G N 0.798 109.573 108.800 -0.042 0.000 2.796 261 G HA2 -0.232 nan 3.960 nan 0.000 0.571 261 G HA3 -0.232 nan 3.960 nan 0.000 0.571 261 G C -1.944 172.909 174.900 -0.077 0.000 1.370 261 G CA -0.459 44.624 45.100 -0.027 0.000 0.856 261 G HN -0.477 7.713 8.290 -0.029 0.082 0.538 262 P HA 0.041 nan 4.420 nan 0.000 0.245 262 P C -1.016 176.423 177.300 0.233 0.000 1.199 262 P CA -0.029 63.064 63.100 -0.011 0.000 0.807 262 P CB 1.001 32.601 31.700 -0.166 0.000 1.002 263 W N -3.720 117.657 121.300 0.127 0.000 2.293 263 W HA -0.138 nan 4.660 nan 0.000 0.342 263 W C -0.421 176.220 176.519 0.203 0.000 1.274 263 W CA -0.999 56.501 57.345 0.258 0.000 1.290 263 W CB -0.376 29.179 29.460 0.159 0.000 1.176 263 W HN -0.717 7.719 8.180 0.499 0.043 0.570 264 L N 0.872 122.349 121.223 0.423 0.000 2.341 264 L HA 0.734 nan 4.340 nan 0.000 0.267 264 L C -0.600 176.369 176.870 0.165 0.000 1.022 264 L CA -2.172 52.816 54.840 0.248 0.000 0.844 264 L CB 3.179 45.358 42.059 0.199 0.000 1.436 264 L HN 0.267 8.735 8.230 0.396 0.000 0.483 265 K N -1.362 119.107 120.400 0.114 0.000 2.565 265 K HA 0.420 nan 4.320 nan 0.000 0.249 265 K C -1.944 174.692 176.600 0.061 0.000 0.958 265 K CA -0.613 55.721 56.287 0.079 0.000 0.806 265 K CB 3.253 35.803 32.500 0.083 0.000 1.194 265 K HN 0.036 8.433 8.250 0.116 -0.077 0.434 266 V N 5.106 125.041 119.914 0.035 0.000 2.417 266 V HA 0.383 nan 4.120 nan 0.000 0.291 266 V C -1.863 174.256 176.094 0.040 0.000 1.024 266 V CA -1.468 60.858 62.300 0.043 0.000 0.861 266 V CB 2.819 34.635 31.823 -0.011 0.000 0.985 266 V HN 0.965 9.165 8.190 0.017 0.000 0.436 267 K N 7.580 128.015 120.400 0.060 0.000 2.262 267 K HA 0.162 nan 4.320 nan 0.000 0.282 267 K C -0.580 176.051 176.600 0.052 0.000 1.066 267 K CA -0.505 55.811 56.287 0.048 0.000 0.901 267 K CB 0.822 33.350 32.500 0.047 0.000 1.089 267 K HN 0.328 8.625 8.250 0.079 0.000 0.476 268 N N 8.748 127.468 118.700 0.034 0.000 2.406 268 N HA 0.112 nan 4.740 nan 0.000 0.274 268 N C -0.190 175.340 175.510 0.034 0.000 1.249 268 N CA -1.768 51.301 53.050 0.031 0.000 0.951 268 N CB 0.499 38.994 38.487 0.013 0.000 1.241 268 N HN 0.219 8.614 8.380 0.026 0.000 0.485 269 P HA -0.209 nan 4.420 nan 0.000 0.213 269 P C 0.878 178.192 177.300 0.023 0.000 1.170 269 P CA 2.410 65.531 63.100 0.035 0.000 0.902 269 P CB 0.112 31.836 31.700 0.040 0.000 0.789 270 N N -3.464 115.249 118.700 0.021 0.000 2.585 270 N HA -0.090 nan 4.740 nan 0.000 0.188 270 N C 0.649 176.164 175.510 0.010 0.000 1.102 270 N CA 1.817 54.875 53.050 0.013 0.000 0.920 270 N CB -0.375 38.117 38.487 0.009 0.000 0.963 270 N HN 0.513 8.909 8.380 0.027 0.000 0.447 271 T N -6.283 108.277 114.554 0.011 0.000 3.046 271 T HA 0.215 nan 4.350 nan 0.000 0.270 271 T C 1.081 175.788 174.700 0.011 0.000 0.920 271 T CA 0.251 62.356 62.100 0.009 0.000 0.874 271 T CB 2.027 70.898 68.868 0.005 0.000 1.214 271 T HN -0.270 7.839 8.240 0.015 0.140 0.536 272 G N 2.290 111.099 108.800 0.014 0.000 2.347 272 G HA2 -0.489 nan 3.960 nan 0.000 0.247 272 G HA3 -0.489 nan 3.960 nan 0.000 0.247 272 G C -0.672 174.238 174.900 0.017 0.000 1.037 272 G CA 0.469 45.579 45.100 0.016 0.000 0.622 272 G HN 0.245 8.545 8.290 0.017 0.000 0.521 273 K N 1.631 122.040 120.400 0.014 0.000 2.276 273 K HA -0.076 nan 4.320 nan 0.000 0.259 273 K C -1.236 175.374 176.600 0.017 0.000 1.001 273 K CA 0.419 56.714 56.287 0.014 0.000 0.927 273 K CB 0.771 33.277 32.500 0.010 0.000 0.969 273 K HN -0.014 8.141 8.250 0.012 0.102 0.490 274 E N 0.667 120.879 120.200 0.019 0.000 2.155 274 E HA 0.446 nan 4.350 nan 0.000 0.264 274 E C -0.611 175.998 176.600 0.014 0.000 0.886 274 E CA -1.204 55.209 56.400 0.022 0.000 0.752 274 E CB 1.628 31.348 29.700 0.033 0.000 1.133 274 E HN 0.102 8.474 8.360 0.020 0.000 0.414 275 I N 5.603 126.172 120.570 -0.001 0.000 2.452 275 I HA -0.096 nan 4.170 nan 0.000 0.287 275 I C -0.920 175.182 176.117 -0.025 0.000 1.079 275 I CA 0.668 61.953 61.300 -0.025 0.000 1.387 275 I CB 0.490 38.456 38.000 -0.057 0.000 1.404 275 I HN 0.667 8.877 8.210 0.000 0.000 0.522 276 V N 9.145 129.042 119.914 -0.029 0.000 2.488 276 V HA 0.120 nan 4.120 nan 0.000 0.277 276 V C -0.813 175.206 176.094 -0.124 0.000 1.046 276 V CA -0.146 62.138 62.300 -0.027 0.000 0.986 276 V CB -0.351 31.468 31.823 -0.007 0.000 0.989 276 V HN 0.106 8.278 8.190 -0.029 0.000 0.475 277 I N 8.181 128.673 120.570 -0.131 0.000 2.328 277 I HA 0.626 nan 4.170 nan 0.000 0.287 277 I C -1.164 174.737 176.117 -0.360 0.000 1.012 277 I CA -1.602 59.538 61.300 -0.266 0.000 1.195 277 I CB -1.108 36.724 38.000 -0.280 0.000 1.350 277 I HN -0.258 7.931 8.210 -0.035 0.000 0.464 278 K N 5.829 125.917 120.400 -0.520 0.000 2.433 278 K HA 0.909 nan 4.320 nan 0.000 0.252 278 K C -2.329 174.052 176.600 -0.365 0.000 1.015 278 K CA -2.089 53.752 56.287 -0.743 0.000 0.860 278 K CB 3.454 34.976 32.500 -1.630 0.000 1.359 278 K HN 0.910 8.896 8.250 -0.440 0.000 0.452 279 D N -2.781 117.563 120.400 -0.094 0.000 2.419 279 D HA 0.656 nan 4.640 nan 0.000 0.234 279 D C -1.588 174.833 176.300 0.202 0.000 1.014 279 D CA -1.491 52.598 54.000 0.148 0.000 0.919 279 D CB 2.794 43.834 40.800 0.400 0.000 1.366 279 D HN -0.242 8.111 8.370 -0.028 0.000 0.490 280 V N -0.580 119.429 119.914 0.158 0.000 2.777 280 V HA 0.251 nan 4.120 nan 0.000 0.306 280 V C -1.065 174.990 176.094 -0.064 0.000 1.112 280 V CA -0.627 61.735 62.300 0.104 0.000 0.917 280 V CB 4.221 36.097 31.823 0.088 0.000 1.018 280 V HN -0.383 7.906 8.190 0.165 0.000 0.426 281 I N 4.881 125.387 120.570 -0.107 0.000 2.634 281 I HA -0.093 nan 4.170 nan 0.000 0.284 281 I C 0.459 176.506 176.117 -0.116 0.000 1.124 281 I CA 0.026 61.153 61.300 -0.287 0.000 1.417 281 I CB 0.990 38.870 38.000 -0.200 0.000 1.396 281 I HN 0.326 8.538 8.210 0.004 0.000 0.571 282 A N 6.871 129.607 122.820 -0.140 0.000 1.884 282 A HA -0.452 nan 4.320 nan 0.000 0.219 282 A C 1.100 178.732 177.584 0.079 0.000 1.197 282 A CA 3.661 55.694 52.037 -0.007 0.000 0.637 282 A CB -0.464 18.524 19.000 -0.020 0.000 0.827 282 A HN 0.168 8.082 8.150 -0.230 0.098 0.450 283 D N -3.989 116.433 120.400 0.036 0.000 2.219 283 D HA -0.275 nan 4.640 nan 0.000 0.205 283 D C 0.793 177.120 176.300 0.046 0.000 0.970 283 D CA 1.992 56.017 54.000 0.043 0.000 0.851 283 D CB -1.201 39.613 40.800 0.023 0.000 0.943 283 D HN -0.031 8.339 8.370 0.000 0.000 0.488 284 A N -2.081 120.772 122.820 0.055 0.000 2.072 284 A HA -0.065 nan 4.320 nan 0.000 0.216 284 A C 1.532 179.168 177.584 0.087 0.000 1.156 284 A CA 1.889 53.964 52.037 0.063 0.000 0.701 284 A CB -0.152 18.890 19.000 0.070 0.000 0.816 284 A HN -0.607 7.546 8.150 0.044 0.024 0.458 285 F N 0.776 120.682 119.950 -0.073 0.000 2.163 285 F HA -0.240 nan 4.527 nan 0.000 0.297 285 F C 0.838 176.573 175.800 -0.108 0.000 1.094 285 F CA 2.612 60.525 58.000 -0.145 0.000 1.290 285 F CB 0.465 39.358 39.000 -0.179 0.000 1.017 285 F HN -0.356 7.930 8.300 0.209 0.139 0.483 286 L N -4.926 116.268 121.223 -0.049 0.000 2.349 286 L HA -0.359 nan 4.340 nan 0.000 0.220 286 L C 0.953 177.736 176.870 -0.145 0.000 1.130 286 L CA 2.284 57.052 54.840 -0.121 0.000 0.791 286 L CB -0.561 41.491 42.059 -0.012 0.000 0.918 286 L HN -0.574 7.711 8.230 0.092 0.000 0.444 287 Q N -3.011 116.724 119.800 -0.108 0.000 2.287 287 Q HA -0.064 nan 4.340 nan 0.000 0.201 287 Q C 2.074 178.020 176.000 -0.089 0.000 0.946 287 Q CA 1.908 57.667 55.803 -0.073 0.000 0.868 287 Q CB 0.525 29.249 28.738 -0.023 0.000 0.967 287 Q HN -0.840 7.239 8.270 -0.072 0.148 0.516 288 Q N -0.266 119.481 119.800 -0.089 0.000 2.268 288 Q HA -0.294 nan 4.340 nan 0.000 0.210 288 Q C 2.880 178.843 176.000 -0.062 0.000 0.988 288 Q CA 2.506 58.301 55.803 -0.013 0.000 0.883 288 Q CB -0.624 28.170 28.738 0.093 0.000 0.911 288 Q HN -0.178 8.050 8.270 -0.070 0.000 0.430 289 I N -6.396 113.991 120.570 -0.306 0.000 2.928 289 I HA -0.184 nan 4.170 nan 0.000 0.266 289 I C 0.843 176.895 176.117 -0.109 0.000 1.234 289 I CA 2.789 63.934 61.300 -0.258 0.000 1.483 289 I CB -0.380 37.323 38.000 -0.495 0.000 1.097 289 I HN -0.321 7.591 8.210 -0.468 0.017 0.455 290 L N -1.734 119.435 121.223 -0.091 0.000 2.253 290 L HA -0.006 nan 4.340 nan 0.000 0.205 290 L C 1.103 177.960 176.870 -0.022 0.000 1.078 290 L CA 1.241 56.048 54.840 -0.054 0.000 0.805 290 L CB -0.014 42.011 42.059 -0.055 0.000 0.963 290 L HN -0.229 7.820 8.230 -0.111 0.114 0.459 291 L N -3.958 117.259 121.223 -0.009 0.000 2.071 291 L HA -0.016 nan 4.340 nan 0.000 0.201 291 L C 1.108 178.001 176.870 0.039 0.000 1.076 291 L CA 2.168 57.018 54.840 0.017 0.000 0.755 291 L CB 0.559 42.631 42.059 0.021 0.000 0.915 291 L HN -0.453 7.763 8.230 -0.024 0.000 0.445 292 R N -3.204 117.338 120.500 0.069 0.000 2.983 292 R HA 0.472 nan 4.340 nan 0.000 0.300 292 R C -1.596 174.767 176.300 0.105 0.000 1.367 292 R CA -2.544 53.598 56.100 0.070 0.000 1.564 292 R CB 0.100 30.444 30.300 0.074 0.000 1.314 292 R HN -0.236 7.975 8.270 0.087 0.111 0.622 293 P HA -0.061 nan 4.420 nan 0.000 0.229 293 P C 0.040 177.394 177.300 0.090 0.000 1.160 293 P CA 1.731 64.903 63.100 0.120 0.000 0.777 293 P CB 0.036 31.769 31.700 0.054 0.000 0.814 294 A N -2.813 120.019 122.820 0.021 0.000 2.238 294 A HA -0.048 nan 4.320 nan 0.000 0.208 294 A C 0.580 178.120 177.584 -0.073 0.000 1.177 294 A CA 1.392 53.423 52.037 -0.009 0.000 0.804 294 A CB -0.666 18.325 19.000 -0.016 0.000 0.823 294 A HN 0.228 8.343 8.150 0.015 0.044 0.482 295 E N -2.777 117.302 120.200 -0.202 0.000 2.476 295 E HA 0.127 nan 4.350 nan 0.000 0.196 295 E C -1.277 174.941 176.600 -0.637 0.000 1.029 295 E CA -0.401 55.754 56.400 -0.409 0.000 0.896 295 E CB 0.475 29.855 29.700 -0.535 0.000 1.012 295 E HN -0.469 7.711 8.360 -0.185 0.069 0.475 296 Y N -2.092 118.251 120.300 0.071 0.000 2.446 296 Y HA 0.142 nan 4.550 nan 0.000 0.345 296 Y C -1.513 174.439 175.900 0.086 0.000 0.984 296 Y CA -0.094 58.069 58.100 0.104 0.000 1.058 296 Y CB 1.580 40.161 38.460 0.202 0.000 1.220 296 Y HN -0.980 7.218 8.280 -0.034 0.062 0.455 297 D N -0.443 120.088 120.400 0.219 0.000 3.029 297 D HA 0.238 nan 4.640 nan 0.000 0.181 297 D C -0.934 175.461 176.300 0.159 0.000 1.356 297 D CA -0.610 53.482 54.000 0.153 0.000 1.532 297 D CB 2.370 43.229 40.800 0.098 0.000 1.204 297 D HN -0.048 8.472 8.370 0.250 0.000 0.184 298 V N 0.824 120.810 119.914 0.119 0.000 2.732 298 V HA 0.365 nan 4.120 nan 0.000 0.297 298 V C -0.694 175.440 176.094 0.068 0.000 1.060 298 V CA 0.850 63.207 62.300 0.094 0.000 1.038 298 V CB 0.528 32.377 31.823 0.043 0.000 1.003 298 V HN -0.560 7.688 8.190 0.096 0.000 0.481 299 I N 2.566 123.187 120.570 0.084 0.000 2.607 299 I HA 0.538 nan 4.170 nan 0.000 0.290 299 I C -2.432 173.729 176.117 0.073 0.000 1.129 299 I CA -0.816 60.504 61.300 0.034 0.000 1.042 299 I CB 3.900 41.921 38.000 0.035 0.000 1.242 299 I HN 0.548 8.849 8.210 0.151 0.000 0.421 300 A N 6.264 129.114 122.820 0.050 0.000 2.304 300 A HA 0.850 nan 4.320 nan 0.000 0.323 300 A C -2.072 175.655 177.584 0.238 0.000 1.195 300 A CA -1.910 50.241 52.037 0.190 0.000 0.826 300 A CB 1.974 21.069 19.000 0.158 0.000 1.184 300 A HN 0.627 8.772 8.150 -0.008 0.000 0.496 301 C N 1.738 121.110 119.300 0.120 0.000 3.236 301 C HA 0.553 nan 4.460 nan 0.000 0.312 301 C C -0.800 173.901 174.990 -0.481 0.000 1.374 301 C CA -1.041 57.828 59.018 -0.248 0.000 1.455 301 C CB 4.043 31.675 27.740 -0.180 0.000 1.834 301 C HN 0.875 9.218 8.230 0.188 0.000 0.460 302 M N 0.177 119.359 119.600 -0.697 0.000 2.012 302 M HA -0.023 nan 4.480 nan 0.000 0.248 302 M C 0.510 176.608 176.300 -0.335 0.000 1.238 302 M CA 0.472 55.462 55.300 -0.517 0.000 0.980 302 M CB 1.360 33.667 32.600 -0.488 0.000 1.346 302 M HN 0.410 8.255 8.290 -0.741 0.000 0.511 303 N N 0.185 118.706 118.700 -0.297 0.000 2.039 303 N HA -0.287 nan 4.740 nan 0.000 0.193 303 N C 2.284 177.461 175.510 -0.556 0.000 1.044 303 N CA 3.750 56.530 53.050 -0.450 0.000 0.847 303 N CB 0.066 38.276 38.487 -0.463 0.000 1.030 303 N HN 0.161 8.482 8.380 -0.233 -0.080 0.422 304 L N -0.565 120.451 121.223 -0.345 0.000 1.970 304 L HA -0.339 nan 4.340 nan 0.000 0.212 304 L C 1.520 178.109 176.870 -0.468 0.000 1.071 304 L CA 3.853 58.510 54.840 -0.306 0.000 0.751 304 L CB -0.612 41.340 42.059 -0.179 0.000 0.889 304 L HN 0.242 8.709 8.230 -0.220 -0.369 0.432 305 N N -1.380 117.129 118.700 -0.319 0.000 2.223 305 N HA -0.327 nan 4.740 nan 0.000 0.185 305 N C 2.339 177.779 175.510 -0.116 0.000 1.016 305 N CA 2.872 55.812 53.050 -0.184 0.000 0.863 305 N CB -0.492 37.914 38.487 -0.136 0.000 0.983 305 N HN 0.166 8.379 8.380 -0.277 0.000 0.429 306 G N -0.271 108.417 108.800 -0.187 0.000 2.422 306 G HA2 -0.386 nan 3.960 nan 0.000 0.218 306 G HA3 -0.386 nan 3.960 nan 0.000 0.218 306 G C 0.218 175.066 174.900 -0.087 0.000 1.146 306 G CA 1.785 46.805 45.100 -0.134 0.000 0.769 306 G HN -0.341 7.763 8.290 -0.263 0.028 0.547 307 D N 1.902 122.218 120.400 -0.139 0.000 2.084 307 D HA -0.297 nan 4.640 nan 0.000 0.196 307 D C 1.894 178.296 176.300 0.170 0.000 0.985 307 D CA 3.263 57.250 54.000 -0.023 0.000 0.826 307 D CB 0.027 40.801 40.800 -0.042 0.000 0.978 307 D HN -0.683 7.517 8.370 -0.248 0.021 0.456 308 Y N -1.819 118.495 120.300 0.024 0.000 2.224 308 Y HA -0.270 nan 4.550 nan 0.000 0.289 308 Y C 2.810 178.733 175.900 0.039 0.000 1.146 308 Y CA 1.313 59.435 58.100 0.037 0.000 1.182 308 Y CB -0.338 38.146 38.460 0.039 0.000 0.983 308 Y HN -0.607 7.685 8.280 0.020 0.000 0.524 309 I N -1.551 119.147 120.570 0.214 0.000 2.500 309 I HA -0.534 nan 4.170 nan 0.000 0.252 309 I C 1.855 178.045 176.117 0.121 0.000 1.142 309 I CA 3.589 64.994 61.300 0.176 0.000 1.451 309 I CB -0.405 37.731 38.000 0.226 0.000 1.093 309 I HN 0.226 8.538 8.210 0.170 0.000 0.430 310 S N 1.647 117.402 115.700 0.093 0.000 2.348 310 S HA -0.324 nan 4.470 nan 0.000 0.221 310 S C 1.907 176.550 174.600 0.072 0.000 1.033 310 S CA 4.366 62.605 58.200 0.064 0.000 1.010 310 S CB -0.484 62.734 63.200 0.030 0.000 0.891 310 S HN -0.197 8.165 8.310 0.087 0.000 0.442 311 D N 0.706 121.158 120.400 0.086 0.000 2.269 311 D HA -0.132 nan 4.640 nan 0.000 0.208 311 D C 1.705 178.038 176.300 0.055 0.000 0.963 311 D CA 2.920 56.965 54.000 0.076 0.000 0.864 311 D CB -0.448 40.404 40.800 0.088 0.000 0.936 311 D HN -0.414 8.020 8.370 0.107 0.000 0.505 312 A N 0.120 122.972 122.820 0.054 0.000 1.854 312 A HA -0.124 nan 4.320 nan 0.000 0.214 312 A C 1.925 179.520 177.584 0.018 0.000 1.192 312 A CA 2.825 54.875 52.037 0.021 0.000 0.611 312 A CB -0.336 18.673 19.000 0.015 0.000 0.832 312 A HN -0.559 7.524 8.150 0.078 0.114 0.442 313 L N -1.914 119.329 121.223 0.032 0.000 2.131 313 L HA -0.208 nan 4.340 nan 0.000 0.210 313 L C 2.069 178.974 176.870 0.058 0.000 1.092 313 L CA 1.447 56.308 54.840 0.035 0.000 0.759 313 L CB -1.215 40.877 42.059 0.056 0.000 0.903 313 L HN -0.066 8.193 8.230 0.049 0.000 0.435 314 A N -2.995 119.865 122.820 0.066 0.000 2.119 314 A HA -0.091 nan 4.320 nan 0.000 0.216 314 A C 0.379 178.010 177.584 0.078 0.000 1.152 314 A CA 2.132 54.219 52.037 0.083 0.000 0.708 314 A CB -0.468 18.582 19.000 0.084 0.000 0.805 314 A HN -0.296 7.769 8.150 0.062 0.122 0.460 315 A N -2.992 119.859 122.820 0.052 0.000 1.943 315 A HA -0.010 nan 4.320 nan 0.000 0.213 315 A C 2.186 179.785 177.584 0.025 0.000 1.181 315 A CA 1.948 54.006 52.037 0.036 0.000 0.653 315 A CB 0.431 19.441 19.000 0.017 0.000 0.833 315 A HN -0.634 7.506 8.150 0.042 0.035 0.451 316 Q N -0.469 119.341 119.800 0.017 0.000 2.084 316 Q HA -0.252 nan 4.340 nan 0.000 0.202 316 Q C 1.275 177.287 176.000 0.020 0.000 0.978 316 Q CA 3.071 58.873 55.803 -0.001 0.000 0.844 316 Q CB 0.306 29.035 28.738 -0.016 0.000 0.898 316 Q HN -0.498 7.783 8.270 0.018 0.000 0.426 317 V N -8.453 111.509 119.914 0.079 0.000 3.416 317 V HA 0.215 nan 4.120 nan 0.000 0.334 317 V C 0.626 176.846 176.094 0.210 0.000 1.271 317 V CA -1.529 60.881 62.300 0.183 0.000 1.274 317 V CB -2.610 29.360 31.823 0.244 0.000 1.153 317 V HN -0.573 7.665 8.190 0.079 0.000 0.433 318 G N 1.928 110.789 108.800 0.101 0.000 4.610 318 G HA2 -0.472 nan 3.960 nan 0.000 0.323 318 G HA3 -0.472 nan 3.960 nan 0.000 0.323 318 G C 0.415 175.365 174.900 0.083 0.000 1.377 318 G CA 0.942 46.068 45.100 0.044 0.000 1.023 318 G HN 0.177 8.296 8.290 0.060 0.207 0.755 319 G N 4.784 113.674 108.800 0.149 0.000 2.467 319 G HA2 -0.208 nan 3.960 nan 0.000 0.283 319 G HA3 -0.208 nan 3.960 nan 0.000 0.283 319 G C 1.235 176.238 174.900 0.172 0.000 0.615 319 G CA -0.192 45.055 45.100 0.244 0.000 2.098 319 G HN -0.247 8.098 8.290 0.143 0.030 0.546 320 I N -2.722 117.928 120.570 0.134 0.000 2.493 320 I HA -0.097 nan 4.170 nan 0.000 0.254 320 I C 0.595 176.803 176.117 0.152 0.000 1.160 320 I CA 1.958 63.326 61.300 0.115 0.000 1.445 320 I CB -0.473 37.572 38.000 0.077 0.000 1.086 320 I HN 0.132 8.364 8.210 0.118 0.049 0.433 321 G N -1.532 107.333 108.800 0.108 0.000 2.985 321 G HA2 -0.031 nan 3.960 nan 0.000 0.209 321 G HA3 -0.031 nan 3.960 nan 0.000 0.209 321 G C -0.569 174.417 174.900 0.143 0.000 1.165 321 G CA 0.490 45.616 45.100 0.042 0.000 0.776 321 G HN 0.340 8.674 8.290 0.110 0.023 0.541 322 I N -6.140 114.508 120.570 0.129 0.000 4.050 322 I HA 0.374 nan 4.170 nan 0.000 0.327 322 I C -1.063 175.086 176.117 0.053 0.000 1.473 322 I CA -1.373 59.964 61.300 0.062 0.000 1.124 322 I CB 1.054 39.045 38.000 -0.015 0.000 1.129 322 I HN -0.610 7.486 8.210 0.150 0.205 0.428 323 A N 2.676 125.548 122.820 0.087 0.000 2.409 323 A HA 0.314 nan 4.320 nan 0.000 0.267 323 A C -2.414 175.174 177.584 0.006 0.000 1.127 323 A CA -2.139 49.934 52.037 0.061 0.000 0.795 323 A CB 0.100 19.144 19.000 0.072 0.000 1.061 323 A HN -0.398 7.831 8.150 0.132 0.000 0.502 324 P HA 0.495 nan 4.420 nan 0.000 0.283 324 P C -1.102 176.192 177.300 -0.009 0.000 1.278 324 P CA -1.483 61.619 63.100 0.004 0.000 0.834 324 P CB 1.868 33.592 31.700 0.040 0.000 1.150 325 G N -3.552 105.244 108.800 -0.007 0.000 2.742 325 G HA2 0.346 nan 3.960 nan 0.000 0.296 325 G HA3 0.346 nan 3.960 nan 0.000 0.296 325 G C -2.829 172.037 174.900 -0.056 0.000 1.436 325 G CA 0.106 45.176 45.100 -0.050 0.000 0.928 325 G HN -0.065 8.236 8.290 0.019 0.000 0.520 326 A N 0.477 123.196 122.820 -0.169 0.000 2.422 326 A HA 0.750 nan 4.320 nan 0.000 0.302 326 A C -2.324 175.005 177.584 -0.425 0.000 1.041 326 A CA -1.349 50.461 52.037 -0.378 0.000 0.708 326 A CB 3.013 21.794 19.000 -0.365 0.000 1.257 326 A HN 0.592 8.629 8.150 -0.189 0.000 0.414 327 N N 3.246 121.641 118.700 -0.508 0.000 2.476 327 N HA 0.726 nan 4.740 nan 0.000 0.257 327 N C -1.897 173.331 175.510 -0.470 0.000 0.970 327 N CA -0.340 52.477 53.050 -0.389 0.000 0.938 327 N CB 2.335 40.656 38.487 -0.276 0.000 1.144 327 N HN 0.409 8.291 8.380 -0.647 0.110 0.500 328 I N 3.677 123.987 120.570 -0.434 0.000 2.474 328 I HA 0.706 nan 4.170 nan 0.000 0.294 328 I C -1.755 174.064 176.117 -0.496 0.000 1.005 328 I CA -1.368 59.678 61.300 -0.422 0.000 1.113 328 I CB 3.221 41.008 38.000 -0.355 0.000 1.289 328 I HN 0.937 8.794 8.210 -0.400 0.113 0.436 329 G N 3.983 112.565 108.800 -0.364 0.000 3.176 329 G HA2 0.438 nan 3.960 nan 0.000 0.272 329 G HA3 0.438 nan 3.960 nan 0.000 0.272 329 G C -1.335 173.506 174.900 -0.100 0.000 1.349 329 G CA -0.362 44.526 45.100 -0.353 0.000 0.953 329 G HN -0.067 8.075 8.290 -0.247 0.000 0.559 330 D N 0.037 120.494 120.400 0.095 0.000 2.120 330 D HA -0.063 nan 4.640 nan 0.000 0.202 330 D C 1.031 177.375 176.300 0.074 0.000 0.972 330 D CA 2.684 56.759 54.000 0.125 0.000 0.837 330 D CB 0.176 41.082 40.800 0.177 0.000 0.989 330 D HN 0.451 8.935 8.370 0.189 0.000 0.469 331 E N -3.667 116.568 120.200 0.059 0.000 2.385 331 E HA 0.147 nan 4.350 nan 0.000 0.194 331 E C -0.973 175.650 176.600 0.039 0.000 1.013 331 E CA 0.447 56.872 56.400 0.043 0.000 0.866 331 E CB 1.048 30.769 29.700 0.036 0.000 0.832 331 E HN 0.469 8.868 8.360 0.065 0.000 0.500 332 C N -8.398 110.919 119.300 0.029 0.000 3.293 332 C HA 0.972 nan 4.460 nan 0.000 0.362 332 C C -2.297 172.680 174.990 -0.021 0.000 1.539 332 C CA -2.914 56.124 59.018 0.033 0.000 1.201 332 C CB 3.802 31.560 27.740 0.029 0.000 1.770 332 C HN -0.695 7.542 8.230 0.012 0.000 0.440 333 A N -2.201 120.596 122.820 -0.038 0.000 2.549 333 A HA 0.935 nan 4.320 nan 0.000 0.297 333 A C -3.457 173.973 177.584 -0.256 0.000 1.061 333 A CA -0.415 51.474 52.037 -0.245 0.000 0.690 333 A CB 3.209 21.985 19.000 -0.373 0.000 1.287 333 A HN 0.432 8.600 8.150 0.029 0.000 0.402 334 L N 0.777 121.714 121.223 -0.476 0.000 2.406 334 L HA 0.756 nan 4.340 nan 0.000 0.270 334 L C -2.385 174.197 176.870 -0.480 0.000 0.982 334 L CA -0.880 53.783 54.840 -0.295 0.000 0.843 334 L CB 2.924 44.891 42.059 -0.154 0.000 1.225 334 L HN 0.677 8.542 8.230 -0.608 0.000 0.412 335 F N 6.933 126.840 119.950 -0.072 0.000 2.377 335 F HA 0.683 nan 4.527 nan 0.000 0.328 335 F C -1.153 174.619 175.800 -0.048 0.000 1.094 335 F CA -0.568 57.389 58.000 -0.073 0.000 1.093 335 F CB 1.629 40.592 39.000 -0.062 0.000 1.214 335 F HN 0.813 9.290 8.300 0.297 0.000 0.518 336 E N -1.822 118.423 120.200 0.074 0.000 2.445 336 E HA 0.619 nan 4.350 nan 0.000 0.279 336 E C -2.390 174.187 176.600 -0.039 0.000 1.018 336 E CA -1.869 54.538 56.400 0.012 0.000 0.816 336 E CB 4.224 33.906 29.700 -0.030 0.000 1.356 336 E HN 0.492 8.895 8.360 0.071 0.000 0.462 337 A N -0.916 121.854 122.820 -0.083 0.000 2.328 337 A HA 0.354 nan 4.320 nan 0.000 0.284 337 A C 0.230 177.666 177.584 -0.247 0.000 1.160 337 A CA -0.577 51.327 52.037 -0.222 0.000 0.818 337 A CB 0.805 19.675 19.000 -0.217 0.000 1.087 337 A HN -0.113 8.006 8.150 -0.051 0.000 0.504 338 T N -0.463 113.895 114.554 -0.327 0.000 3.235 338 T HA 0.085 nan 4.350 nan 0.000 0.251 338 T C -0.645 174.000 174.700 -0.092 0.000 1.060 338 T CA 0.166 62.166 62.100 -0.168 0.000 0.949 338 T CB -0.307 68.506 68.868 -0.092 0.000 1.020 338 T HN -0.005 7.987 8.240 -0.414 0.000 0.564 339 H N -2.728 116.356 119.070 0.024 0.000 2.941 339 H HA 0.388 nan 4.556 nan 0.000 0.344 339 H C -0.600 174.748 175.328 0.033 0.000 1.235 339 H CA -3.307 52.757 56.048 0.027 0.000 1.149 339 H CB 0.742 30.514 29.762 0.018 0.000 1.885 339 H HN -0.750 7.190 8.280 -0.439 0.077 0.558 340 G N -2.690 106.267 108.800 0.263 0.000 2.553 340 G HA2 0.102 nan 3.960 nan 0.000 0.278 340 G HA3 0.102 nan 3.960 nan 0.000 0.278 340 G C -0.709 174.302 174.900 0.185 0.000 1.349 340 G CA -0.252 44.952 45.100 0.173 0.000 1.037 340 G HN 0.520 8.940 8.290 0.218 0.000 0.508 341 T N -5.872 108.762 114.554 0.133 0.000 3.010 341 T HA 0.022 nan 4.350 nan 0.000 0.257 341 T C -0.079 174.702 174.700 0.134 0.000 1.020 341 T CA -0.025 62.148 62.100 0.121 0.000 0.938 341 T CB 0.690 69.626 68.868 0.112 0.000 1.049 341 T HN -0.146 8.165 8.240 0.119 0.000 0.522 342 A N 1.216 124.123 122.820 0.145 0.000 1.726 342 A HA -0.165 nan 4.320 nan 0.000 0.224 342 A C -1.784 175.905 177.584 0.176 0.000 1.317 342 A CA 0.101 52.275 52.037 0.227 0.000 0.685 342 A CB -1.227 18.045 19.000 0.454 0.000 1.175 342 A HN 0.006 8.177 8.150 0.121 0.052 0.230 343 P HA -0.093 nan 4.420 nan 0.000 0.236 343 P C -0.929 176.351 177.300 -0.033 0.000 1.172 343 P CA 1.521 64.641 63.100 0.033 0.000 0.759 343 P CB -0.142 31.571 31.700 0.022 0.000 0.843 344 K N -5.548 114.784 120.400 -0.114 0.000 2.391 344 K HA 0.128 nan 4.320 nan 0.000 0.197 344 K C 0.126 176.504 176.600 -0.370 0.000 1.087 344 K CA 0.574 56.686 56.287 -0.292 0.000 1.012 344 K CB 0.775 32.990 32.500 -0.474 0.000 0.925 344 K HN -0.099 8.016 8.250 -0.062 0.098 0.547 345 Y N -2.487 117.790 120.300 -0.038 0.000 2.497 345 Y HA -0.065 nan 4.550 nan 0.000 0.265 345 Y C -0.162 175.719 175.900 -0.032 0.000 1.111 345 Y CA 0.339 58.406 58.100 -0.055 0.000 1.288 345 Y CB 0.586 39.009 38.460 -0.062 0.000 1.082 345 Y HN -0.411 7.755 8.280 0.006 0.118 0.536 346 A N -0.807 122.080 122.820 0.112 0.000 2.587 346 A HA -0.327 nan 4.320 nan 0.000 0.235 346 A C 0.741 178.354 177.584 0.049 0.000 1.044 346 A CA 1.697 53.779 52.037 0.075 0.000 0.754 346 A CB -0.755 18.279 19.000 0.057 0.000 0.968 346 A HN -0.581 7.630 8.150 0.101 0.000 0.509 347 G N 2.318 111.145 108.800 0.044 0.000 2.270 347 G HA2 -0.452 nan 3.960 nan 0.000 0.268 347 G HA3 -0.452 nan 3.960 nan 0.000 0.268 347 G C 0.695 175.610 174.900 0.025 0.000 0.982 347 G CA 1.349 46.466 45.100 0.029 0.000 0.628 347 G HN 0.383 8.845 8.290 0.049 -0.142 0.544 348 Q N 0.042 119.863 119.800 0.034 0.000 2.451 348 Q HA -0.050 nan 4.340 nan 0.000 0.206 348 Q C -0.511 175.503 176.000 0.023 0.000 0.947 348 Q CA -0.317 55.501 55.803 0.026 0.000 0.937 348 Q CB 0.528 29.288 28.738 0.036 0.000 1.025 348 Q HN -0.570 7.626 8.270 0.051 0.105 0.511 349 D N -1.451 118.965 120.400 0.027 0.000 2.705 349 D HA -0.247 nan 4.640 nan 0.000 0.240 349 D C -0.923 175.387 176.300 0.017 0.000 1.137 349 D CA 1.131 55.144 54.000 0.021 0.000 0.677 349 D CB -0.823 39.987 40.800 0.016 0.000 1.049 349 D HN -0.442 8.218 8.370 0.034 -0.269 0.427 350 K N -3.523 116.885 120.400 0.013 0.000 2.511 350 K HA 0.155 nan 4.320 nan 0.000 0.209 350 K C -1.609 175.011 176.600 0.034 0.000 1.301 350 K CA 0.324 56.606 56.287 -0.009 0.000 0.967 350 K CB 1.567 34.017 32.500 -0.084 0.000 1.109 350 K HN -0.468 7.797 8.250 0.025 0.000 0.561 351 V N -4.183 115.730 119.914 -0.002 0.000 2.881 351 V HA 0.073 nan 4.120 nan 0.000 0.303 351 V C -0.073 175.965 176.094 -0.095 0.000 1.070 351 V CA -1.953 60.333 62.300 -0.023 0.000 1.074 351 V CB 0.212 31.983 31.823 -0.088 0.000 1.012 351 V HN -0.552 7.636 8.190 -0.004 0.000 0.482 352 N N 3.112 121.671 118.700 -0.235 0.000 2.438 352 N HA 0.121 nan 4.740 nan 0.000 0.267 352 N C -0.963 174.480 175.510 -0.112 0.000 1.222 352 N CA -2.166 50.697 53.050 -0.313 0.000 0.930 352 N CB 0.734 38.905 38.487 -0.528 0.000 1.083 352 N HN 0.197 8.469 8.380 -0.294 -0.069 0.476 353 P HA 0.183 nan 4.420 nan 0.000 0.258 353 P C 0.298 177.649 177.300 0.085 0.000 1.416 353 P CA -0.507 62.641 63.100 0.079 0.000 0.927 353 P CB 0.393 32.144 31.700 0.085 0.000 1.444 354 G N 0.676 109.523 108.800 0.078 0.000 2.587 354 G HA2 -0.412 nan 3.960 nan 0.000 0.217 354 G HA3 -0.412 nan 3.960 nan 0.000 0.217 354 G C 0.764 175.672 174.900 0.013 0.000 1.240 354 G CA 2.102 47.226 45.100 0.039 0.000 0.794 354 G HN 0.466 9.042 8.290 0.018 -0.276 0.580 355 S N 1.079 116.812 115.700 0.055 0.000 2.407 355 S HA -0.426 nan 4.470 nan 0.000 0.244 355 S C 2.160 176.730 174.600 -0.049 0.000 1.077 355 S CA 3.387 61.577 58.200 -0.015 0.000 1.159 355 S CB -0.166 62.947 63.200 -0.145 0.000 1.045 355 S HN -0.710 7.672 8.310 0.121 0.000 0.438 356 I N -0.072 120.474 120.570 -0.041 0.000 2.361 356 I HA -0.320 nan 4.170 nan 0.000 0.251 356 I C 1.275 177.379 176.117 -0.022 0.000 1.133 356 I CA 2.640 63.920 61.300 -0.035 0.000 1.413 356 I CB -0.008 37.975 38.000 -0.028 0.000 1.073 356 I HN -0.302 7.907 8.210 -0.001 0.000 0.424 357 I N 0.064 120.621 120.570 -0.022 0.000 2.252 357 I HA -0.493 nan 4.170 nan 0.000 0.245 357 I C 1.869 177.975 176.117 -0.018 0.000 1.102 357 I CA 4.128 65.410 61.300 -0.029 0.000 1.385 357 I CB -0.093 37.879 38.000 -0.047 0.000 1.064 357 I HN -0.350 7.742 8.210 -0.013 0.111 0.414 358 L N -1.104 120.108 121.223 -0.019 0.000 2.093 358 L HA -0.302 nan 4.340 nan 0.000 0.208 358 L C 2.484 179.366 176.870 0.021 0.000 1.085 358 L CA 2.539 57.380 54.840 0.002 0.000 0.755 358 L CB -1.952 40.107 42.059 -0.000 0.000 0.904 358 L HN 0.064 8.278 8.230 -0.027 0.000 0.435 359 S N 0.497 116.209 115.700 0.020 0.000 2.382 359 S HA -0.337 nan 4.470 nan 0.000 0.228 359 S C 2.137 176.736 174.600 -0.002 0.000 1.027 359 S CA 4.174 62.409 58.200 0.057 0.000 0.991 359 S CB -0.713 62.531 63.200 0.073 0.000 0.823 359 S HN 0.170 8.407 8.310 0.005 0.076 0.469 360 A N 0.755 123.566 122.820 -0.014 0.000 1.968 360 A HA -0.148 nan 4.320 nan 0.000 0.217 360 A C 1.497 179.038 177.584 -0.071 0.000 1.169 360 A CA 3.000 55.014 52.037 -0.039 0.000 0.638 360 A CB -0.898 18.128 19.000 0.044 0.000 0.812 360 A HN -0.126 8.026 8.150 0.003 0.000 0.446 361 E N 0.161 120.347 120.200 -0.024 0.000 2.031 361 E HA -0.338 nan 4.350 nan 0.000 0.193 361 E C 2.251 178.834 176.600 -0.028 0.000 0.994 361 E CA 3.130 59.532 56.400 0.003 0.000 0.800 361 E CB -0.257 29.466 29.700 0.039 0.000 0.752 361 E HN -0.450 7.804 8.360 -0.006 0.102 0.447 362 M N -1.151 118.429 119.600 -0.035 0.000 2.080 362 M HA -0.434 nan 4.480 nan 0.000 0.260 362 M C 2.365 178.500 176.300 -0.275 0.000 1.068 362 M CA 3.780 59.064 55.300 -0.027 0.000 1.109 362 M CB -0.194 32.468 32.600 0.103 0.000 1.342 362 M HN 0.277 8.460 8.290 -0.002 0.106 0.405 363 M N 0.425 119.601 119.600 -0.707 0.000 2.082 363 M HA -0.427 nan 4.480 nan 0.000 0.258 363 M C 2.040 178.045 176.300 -0.493 0.000 1.071 363 M CA 3.808 58.378 55.300 -1.216 0.000 1.103 363 M CB 0.046 32.031 32.600 -1.024 0.000 1.307 363 M HN -0.221 7.585 8.290 -0.524 0.170 0.409 364 L N -2.083 118.973 121.223 -0.279 0.000 2.129 364 L HA -0.412 nan 4.340 nan 0.000 0.212 364 L C 1.819 178.670 176.870 -0.032 0.000 1.087 364 L CA 2.961 57.716 54.840 -0.142 0.000 0.757 364 L CB -0.906 41.171 42.059 0.030 0.000 0.896 364 L HN 0.266 8.236 8.230 -0.244 0.113 0.434 365 R N -1.915 118.585 120.500 -0.000 0.000 2.073 365 R HA -0.337 nan 4.340 nan 0.000 0.229 365 R C 2.789 179.143 176.300 0.089 0.000 1.120 365 R CA 3.414 59.561 56.100 0.077 0.000 0.967 365 R CB -0.234 30.122 30.300 0.093 0.000 0.862 365 R HN -0.272 7.860 8.270 -0.046 0.111 0.436 366 H N 1.095 120.134 119.070 -0.052 0.000 2.421 366 H HA -0.226 nan 4.556 nan 0.000 0.298 366 H C 0.937 176.239 175.328 -0.043 0.000 1.087 366 H CA 2.893 58.942 56.048 0.002 0.000 1.330 366 H CB 0.038 29.841 29.762 0.069 0.000 1.388 366 H HN -0.336 7.893 8.280 0.065 0.090 0.526 367 M N -5.211 114.314 119.600 -0.125 0.000 2.492 367 M HA -0.198 nan 4.480 nan 0.000 0.262 367 M C 0.013 176.228 176.300 -0.141 0.000 1.090 367 M CA 1.345 56.479 55.300 -0.277 0.000 1.110 367 M CB 0.840 33.069 32.600 -0.619 0.000 1.407 367 M HN -0.581 7.627 8.290 -0.112 0.015 0.470 368 G N -4.843 103.961 108.800 0.007 0.000 2.163 368 G HA2 -0.207 nan 3.960 nan 0.000 0.213 368 G HA3 -0.207 nan 3.960 nan 0.000 0.213 368 G C 0.490 175.617 174.900 0.377 0.000 0.991 368 G CA -0.229 44.963 45.100 0.153 0.000 0.653 368 G HN -0.555 7.566 8.290 0.000 0.169 0.518 369 W N 2.819 124.136 121.300 0.028 0.000 1.603 369 W HA 0.303 nan 4.660 nan 0.000 0.392 369 W C -0.178 176.428 176.519 0.144 0.000 0.661 369 W CA -3.274 54.144 57.345 0.122 0.000 2.021 369 W CB -2.856 26.665 29.460 0.101 0.000 1.759 369 W HN -0.012 8.295 8.180 0.278 0.040 0.334 370 T N 3.764 118.495 114.554 0.295 0.000 2.897 370 T HA -0.441 nan 4.350 nan 0.000 0.271 370 T C 1.675 176.458 174.700 0.138 0.000 1.084 370 T CA 4.465 66.671 62.100 0.178 0.000 1.123 370 T CB -0.552 68.388 68.868 0.121 0.000 0.865 370 T HN -0.285 8.055 8.240 0.279 0.068 0.496 371 E N 1.235 121.521 120.200 0.144 0.000 2.046 371 E HA -0.241 nan 4.350 nan 0.000 0.190 371 E C 1.829 178.398 176.600 -0.051 0.000 0.982 371 E CA 2.972 59.351 56.400 -0.035 0.000 0.800 371 E CB -0.664 28.871 29.700 -0.276 0.000 0.756 371 E HN -0.414 8.057 8.360 0.257 0.043 0.449 372 A N -0.963 121.897 122.820 0.067 0.000 1.930 372 A HA -0.166 nan 4.320 nan 0.000 0.217 372 A C 1.673 179.322 177.584 0.108 0.000 1.175 372 A CA 2.519 54.618 52.037 0.105 0.000 0.627 372 A CB -0.886 18.311 19.000 0.328 0.000 0.815 372 A HN -0.651 7.651 8.150 0.254 0.000 0.443 373 A N -1.112 121.790 122.820 0.138 0.000 1.842 373 A HA -0.420 nan 4.320 nan 0.000 0.217 373 A C 1.551 179.178 177.584 0.072 0.000 1.206 373 A CA 3.368 55.467 52.037 0.102 0.000 0.630 373 A CB -0.661 18.405 19.000 0.110 0.000 0.839 373 A HN -0.271 7.993 8.150 0.200 0.005 0.447 374 D N -3.073 117.363 120.400 0.060 0.000 2.378 374 D HA -0.246 nan 4.640 nan 0.000 0.222 374 D C 2.133 178.451 176.300 0.029 0.000 0.980 374 D CA 2.280 56.309 54.000 0.047 0.000 0.907 374 D CB -0.620 40.202 40.800 0.036 0.000 0.899 374 D HN -0.378 8.029 8.370 0.061 0.000 0.527 375 L N 0.814 122.047 121.223 0.015 0.000 2.044 375 L HA -0.209 nan 4.340 nan 0.000 0.205 375 L C 1.483 178.357 176.870 0.007 0.000 1.075 375 L CA 2.461 57.299 54.840 -0.004 0.000 0.747 375 L CB -0.111 41.931 42.059 -0.027 0.000 0.903 375 L HN -0.939 7.139 8.230 0.021 0.163 0.435 376 I N -0.820 119.762 120.570 0.020 0.000 2.127 376 I HA -0.595 nan 4.170 nan 0.000 0.241 376 I C 1.797 177.928 176.117 0.023 0.000 1.075 376 I CA 4.880 66.187 61.300 0.012 0.000 1.334 376 I CB -0.184 37.830 38.000 0.023 0.000 1.040 376 I HN -0.317 7.912 8.210 0.032 0.000 0.405 377 V N -1.607 118.345 119.914 0.064 0.000 2.469 377 V HA -0.465 nan 4.120 nan 0.000 0.251 377 V C 1.219 177.388 176.094 0.124 0.000 1.064 377 V CA 4.291 66.670 62.300 0.131 0.000 1.066 377 V CB -0.875 31.059 31.823 0.185 0.000 0.667 377 V HN -0.301 7.928 8.190 0.065 0.000 0.461 378 K N 0.118 120.558 120.400 0.066 0.000 2.103 378 K HA -0.223 nan 4.320 nan 0.000 0.204 378 K C 2.184 178.803 176.600 0.031 0.000 1.052 378 K CA 3.293 59.610 56.287 0.049 0.000 0.945 378 K CB -0.293 32.221 32.500 0.022 0.000 0.722 378 K HN -0.275 7.893 8.250 0.048 0.111 0.443 379 G N -1.217 107.584 108.800 0.002 0.000 2.418 379 G HA2 -0.330 nan 3.960 nan 0.000 0.217 379 G HA3 -0.330 nan 3.960 nan 0.000 0.217 379 G C 0.973 175.843 174.900 -0.051 0.000 1.158 379 G CA 2.014 47.092 45.100 -0.037 0.000 0.771 379 G HN -0.045 8.162 8.290 0.003 0.085 0.545 380 M N 2.281 121.857 119.600 -0.039 0.000 2.073 380 M HA -0.424 nan 4.480 nan 0.000 0.258 380 M C 1.674 178.009 176.300 0.059 0.000 1.070 380 M CA 3.641 58.911 55.300 -0.049 0.000 1.103 380 M CB -0.022 32.539 32.600 -0.064 0.000 1.321 380 M HN 0.126 8.405 8.290 -0.018 0.000 0.405 381 E N -2.127 118.163 120.200 0.150 0.000 2.153 381 E HA -0.390 nan 4.350 nan 0.000 0.194 381 E C 2.709 179.370 176.600 0.102 0.000 0.988 381 E CA 2.755 59.263 56.400 0.179 0.000 0.811 381 E CB -0.468 29.328 29.700 0.160 0.000 0.746 381 E HN -0.381 8.075 8.360 0.161 0.000 0.466 382 G N -0.662 108.174 108.800 0.060 0.000 2.453 382 G HA2 -0.336 nan 3.960 nan 0.000 0.215 382 G HA3 -0.336 nan 3.960 nan 0.000 0.215 382 G C 0.722 175.653 174.900 0.052 0.000 1.201 382 G CA 1.801 46.924 45.100 0.039 0.000 0.784 382 G HN -0.159 8.059 8.290 0.049 0.102 0.545 383 A N 2.241 125.083 122.820 0.035 0.000 1.859 383 A HA -0.327 nan 4.320 nan 0.000 0.217 383 A C 2.091 179.791 177.584 0.194 0.000 1.198 383 A CA 3.022 55.111 52.037 0.086 0.000 0.629 383 A CB -0.708 18.275 19.000 -0.028 0.000 0.830 383 A HN 0.001 8.147 8.150 -0.006 0.000 0.446 384 I N -2.618 118.087 120.570 0.225 0.000 2.163 384 I HA -0.618 nan 4.170 nan 0.000 0.243 384 I C 2.698 178.906 176.117 0.151 0.000 1.085 384 I CA 4.164 65.608 61.300 0.239 0.000 1.347 384 I CB -0.464 37.687 38.000 0.252 0.000 1.044 384 I HN -0.236 8.091 8.210 0.195 0.000 0.408 385 N N 0.767 119.535 118.700 0.112 0.000 2.166 385 N HA -0.253 nan 4.740 nan 0.000 0.186 385 N C 1.168 176.722 175.510 0.073 0.000 1.019 385 N CA 2.895 55.992 53.050 0.078 0.000 0.856 385 N CB 0.342 38.866 38.487 0.063 0.000 0.993 385 N HN 0.005 8.347 8.380 0.116 0.108 0.426 386 A N -1.752 121.115 122.820 0.078 0.000 2.235 386 A HA -0.028 nan 4.320 nan 0.000 0.208 386 A C -1.090 176.541 177.584 0.078 0.000 1.172 386 A CA -0.192 51.885 52.037 0.068 0.000 0.786 386 A CB -0.260 18.778 19.000 0.062 0.000 0.804 386 A HN -0.294 7.898 8.150 0.086 0.010 0.479 387 K N -6.328 114.129 120.400 0.095 0.000 3.010 387 K HA -0.465 nan 4.320 nan 0.000 0.255 387 K C -0.733 175.922 176.600 0.092 0.000 0.929 387 K CA 0.937 57.281 56.287 0.095 0.000 0.687 387 K CB -2.912 29.627 32.500 0.066 0.000 1.304 387 K HN -0.330 7.731 8.250 0.103 0.251 0.479 388 T N -0.092 114.532 114.554 0.117 0.000 3.254 388 T HA 0.271 nan 4.350 nan 0.000 0.385 388 T C -1.036 173.764 174.700 0.167 0.000 1.528 388 T CA -0.092 62.076 62.100 0.113 0.000 1.212 388 T CB -0.377 68.552 68.868 0.102 0.000 1.145 388 T HN -0.677 7.624 8.240 0.142 0.023 0.631 389 V N 6.309 126.266 119.914 0.072 0.000 3.145 389 V HA 0.473 nan 4.120 nan 0.000 0.311 389 V C -2.039 173.881 176.094 -0.289 0.000 1.238 389 V CA -2.536 59.685 62.300 -0.132 0.000 1.066 389 V CB 4.182 35.965 31.823 -0.066 0.000 1.144 389 V HN -0.534 7.685 8.190 0.049 0.000 0.465 390 T N 0.676 114.829 114.554 -0.667 0.000 2.816 390 T HA 0.377 nan 4.350 nan 0.000 0.282 390 T C 0.690 175.228 174.700 -0.269 0.000 0.993 390 T CA -0.721 61.106 62.100 -0.455 0.000 0.994 390 T CB 1.171 69.664 68.868 -0.625 0.000 1.025 390 T HN 0.005 7.564 8.240 -1.135 0.000 0.529 391 Y N 2.315 122.494 120.300 -0.201 0.000 2.030 391 Y HA -0.549 nan 4.550 nan 0.000 0.272 391 Y C 0.746 176.593 175.900 -0.088 0.000 1.185 391 Y CA 3.466 61.493 58.100 -0.122 0.000 1.120 391 Y CB -0.818 37.573 38.460 -0.116 0.000 0.955 391 Y HN 0.651 8.979 8.280 0.080 0.000 0.495 392 D N -1.018 118.547 120.400 -1.391 0.000 2.239 392 D HA -0.457 nan 4.640 nan 0.000 0.202 392 D C 1.559 177.754 176.300 -0.174 0.000 0.993 392 D CA 2.541 55.963 54.000 -0.964 0.000 0.874 392 D CB -0.803 39.421 40.800 -0.960 0.000 0.922 392 D HN 0.205 7.511 8.370 -1.774 0.000 0.464 393 F N -0.296 119.422 119.950 -0.387 0.000 2.343 393 F HA 0.082 nan 4.527 nan 0.000 0.286 393 F C 2.255 177.961 175.800 -0.157 0.000 1.057 393 F CA -0.042 57.818 58.000 -0.235 0.000 1.365 393 F CB 0.270 39.126 39.000 -0.240 0.000 1.114 393 F HN -0.497 7.655 8.300 -0.195 0.031 0.545 394 E N 1.103 121.342 120.200 0.065 0.000 2.114 394 E HA -0.423 nan 4.350 nan 0.000 0.199 394 E C 2.455 179.072 176.600 0.030 0.000 1.008 394 E CA 3.503 59.925 56.400 0.035 0.000 0.810 394 E CB -0.033 29.679 29.700 0.021 0.000 0.739 394 E HN 0.237 8.598 8.360 0.002 0.000 0.456 395 R N -2.738 117.778 120.500 0.027 0.000 2.343 395 R HA -0.092 nan 4.340 nan 0.000 0.202 395 R C 0.721 177.027 176.300 0.010 0.000 1.023 395 R CA 1.367 57.487 56.100 0.033 0.000 1.084 395 R CB -0.606 29.735 30.300 0.069 0.000 0.956 395 R HN 0.033 8.297 8.270 0.011 0.013 0.478 396 L N -4.015 117.203 121.223 -0.008 0.000 3.429 396 L HA 0.316 nan 4.340 nan 0.000 0.311 396 L C -1.059 175.793 176.870 -0.029 0.000 1.274 396 L CA -0.515 54.309 54.840 -0.027 0.000 1.037 396 L CB -0.161 41.864 42.059 -0.057 0.000 1.433 396 L HN -0.074 8.070 8.230 -0.006 0.082 0.614 397 M N 0.866 120.459 119.600 -0.011 0.000 2.383 397 M HA 0.097 nan 4.480 nan 0.000 0.325 397 M C -0.849 175.455 176.300 0.006 0.000 1.092 397 M CA -0.559 54.738 55.300 -0.005 0.000 0.961 397 M CB 2.981 35.585 32.600 0.008 0.000 1.672 397 M HN -0.478 7.667 8.290 0.001 0.145 0.438 398 D N 3.785 124.189 120.400 0.007 0.000 2.429 398 D HA -0.061 nan 4.640 nan 0.000 0.253 398 D C 0.383 176.693 176.300 0.016 0.000 1.294 398 D CA 0.720 54.726 54.000 0.010 0.000 1.063 398 D CB -0.793 40.013 40.800 0.009 0.000 1.096 398 D HN 0.569 8.941 8.370 0.003 0.000 0.516 399 G N 2.360 111.170 108.800 0.018 0.000 2.415 399 G HA2 -0.450 nan 3.960 nan 0.000 0.283 399 G HA3 -0.450 nan 3.960 nan 0.000 0.283 399 G C -1.748 173.168 174.900 0.027 0.000 1.014 399 G CA 0.274 45.386 45.100 0.021 0.000 1.323 399 G HN -0.186 8.094 8.290 0.017 0.020 0.502 400 A N 0.633 123.471 122.820 0.030 0.000 2.294 400 A HA 0.354 nan 4.320 nan 0.000 0.330 400 A C -1.352 176.254 177.584 0.036 0.000 1.133 400 A CA -1.129 50.931 52.037 0.038 0.000 0.836 400 A CB 2.177 21.202 19.000 0.042 0.000 1.190 400 A HN -0.342 7.825 8.150 0.028 0.000 0.492 401 K N 0.359 120.784 120.400 0.042 0.000 2.185 401 K HA 0.050 nan 4.320 nan 0.000 0.271 401 K C -1.027 175.595 176.600 0.037 0.000 1.013 401 K CA -0.774 55.536 56.287 0.039 0.000 0.943 401 K CB 1.481 34.007 32.500 0.044 0.000 0.998 401 K HN -0.194 8.086 8.250 0.049 0.000 0.468 402 L N 4.071 125.314 121.223 0.033 0.000 2.270 402 L HA 0.270 nan 4.340 nan 0.000 0.286 402 L C -1.068 175.821 176.870 0.032 0.000 1.059 402 L CA -0.809 54.049 54.840 0.030 0.000 0.839 402 L CB 0.368 42.448 42.059 0.036 0.000 1.221 402 L HN 0.110 8.360 8.230 0.032 0.000 0.431 403 L N 8.314 129.555 121.223 0.030 0.000 2.379 403 L HA 0.252 nan 4.340 nan 0.000 0.269 403 L C -1.156 175.735 176.870 0.036 0.000 1.084 403 L CA -1.445 53.426 54.840 0.053 0.000 0.802 403 L CB 1.938 44.066 42.059 0.115 0.000 1.175 403 L HN 0.406 8.641 8.230 0.009 0.000 0.448 404 K N -0.949 119.481 120.400 0.050 0.000 2.179 404 K HA 0.194 nan 4.320 nan 0.000 0.238 404 K C 1.010 177.648 176.600 0.063 0.000 1.033 404 K CA -0.747 55.565 56.287 0.040 0.000 0.926 404 K CB 1.138 33.658 32.500 0.032 0.000 1.151 404 K HN 0.217 8.831 8.250 0.057 -0.329 0.492 405 C N 0.568 119.898 119.300 0.049 0.000 2.386 405 C HA -0.358 nan 4.460 nan 0.000 0.279 405 C C 1.927 176.976 174.990 0.098 0.000 1.208 405 C CA 4.004 63.063 59.018 0.069 0.000 1.747 405 C CB -1.610 26.152 27.740 0.037 0.000 2.046 405 C HN 0.266 8.516 8.230 0.034 0.000 0.453 406 S N 0.531 116.263 115.700 0.053 0.000 2.359 406 S HA -0.399 nan 4.470 nan 0.000 0.224 406 S C 1.695 176.319 174.600 0.041 0.000 1.035 406 S CA 4.157 62.376 58.200 0.032 0.000 1.018 406 S CB -0.962 62.246 63.200 0.013 0.000 0.876 406 S HN -0.050 8.585 8.310 0.038 -0.302 0.448 407 E N 3.126 123.361 120.200 0.059 0.000 2.160 407 E HA -0.370 nan 4.350 nan 0.000 0.195 407 E C 2.326 178.986 176.600 0.099 0.000 0.991 407 E CA 2.453 58.891 56.400 0.063 0.000 0.810 407 E CB -0.572 29.168 29.700 0.067 0.000 0.742 407 E HN -0.190 8.206 8.360 0.059 0.000 0.466 408 F N 0.799 120.727 119.950 -0.038 0.000 2.146 408 F HA -0.265 nan 4.527 nan 0.000 0.298 408 F C 1.664 177.433 175.800 -0.052 0.000 1.096 408 F CA 2.338 60.306 58.000 -0.053 0.000 1.275 408 F CB -0.158 38.792 39.000 -0.083 0.000 1.008 408 F HN 0.136 8.463 8.300 0.234 0.114 0.480 409 G N -1.161 107.579 108.800 -0.100 0.000 2.469 409 G HA2 -0.509 nan 3.960 nan 0.000 0.219 409 G HA3 -0.509 nan 3.960 nan 0.000 0.219 409 G C 1.128 175.919 174.900 -0.182 0.000 1.150 409 G CA 2.356 47.345 45.100 -0.184 0.000 0.763 409 G HN -0.080 8.173 8.290 0.052 0.069 0.561 410 D N 2.358 122.696 120.400 -0.103 0.000 2.104 410 D HA -0.309 nan 4.640 nan 0.000 0.194 410 D C 2.282 178.521 176.300 -0.103 0.000 0.994 410 D CA 3.263 57.217 54.000 -0.077 0.000 0.830 410 D CB -0.489 40.292 40.800 -0.031 0.000 0.959 410 D HN -0.049 8.231 8.370 -0.058 0.055 0.452 411 A N -0.501 122.243 122.820 -0.126 0.000 1.940 411 A HA -0.270 nan 4.320 nan 0.000 0.219 411 A C 2.275 179.744 177.584 -0.191 0.000 1.176 411 A CA 2.986 54.948 52.037 -0.124 0.000 0.631 411 A CB -0.647 18.305 19.000 -0.080 0.000 0.814 411 A HN -0.252 7.749 8.150 -0.111 0.082 0.446 412 I N -2.030 118.349 120.570 -0.319 0.000 2.226 412 I HA -0.492 nan 4.170 nan 0.000 0.245 412 I C 2.273 178.301 176.117 -0.149 0.000 1.100 412 I CA 4.023 65.157 61.300 -0.277 0.000 1.374 412 I CB -0.022 37.765 38.000 -0.355 0.000 1.057 412 I HN -0.495 7.358 8.210 -0.402 0.116 0.413 413 I N -0.726 119.770 120.570 -0.123 0.000 2.394 413 I HA -0.452 nan 4.170 nan 0.000 0.251 413 I C 2.050 178.133 176.117 -0.056 0.000 1.136 413 I CA 3.392 64.648 61.300 -0.073 0.000 1.425 413 I CB -0.361 37.605 38.000 -0.056 0.000 1.079 413 I HN -0.537 7.495 8.210 -0.144 0.092 0.425 414 E N -1.299 118.865 120.200 -0.059 0.000 2.274 414 E HA -0.246 nan 4.350 nan 0.000 0.194 414 E C 1.008 177.588 176.600 -0.034 0.000 0.996 414 E CA 2.147 58.523 56.400 -0.039 0.000 0.840 414 E CB -0.258 29.423 29.700 -0.031 0.000 0.772 414 E HN 0.183 8.416 8.360 -0.074 0.083 0.491 415 N N -2.671 116.001 118.700 -0.046 0.000 2.251 415 N HA 0.145 nan 4.740 nan 0.000 0.217 415 N C -0.768 174.725 175.510 -0.029 0.000 1.124 415 N CA 0.170 53.200 53.050 -0.033 0.000 0.843 415 N CB 0.875 39.342 38.487 -0.033 0.000 1.024 415 N HN -0.555 7.643 8.380 -0.066 0.142 0.501 416 M N 0.000 119.580 119.600 -0.033 0.000 2.572 416 M HA 0.000 nan 4.480 nan 0.000 0.227 416 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 416 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 416 M HN 0.000 8.191 8.290 -0.035 0.078 0.411