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 3iwi_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHAAA VSPGALDAEA YGVKSTIEDM ARWVQSNLKP LDINEKTLQQ DATA SEQUENCE GIQLAQSRYW QTGDMYQGLG WEMLDWPVNP DSIINGSDNK IALAARPVKA DATA SEQUENCE ITPPTPAVRA SWVHKTGATG GFGSYVAFIP EKELGIVMLA NKNYPNPARV DATA SEQUENCE DAAWQILNAL Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.437 177.584 -0.245 0.000 1.274 4 A CA 0.000 51.872 52.037 -0.275 0.000 0.836 4 A CB 0.000 18.807 19.000 -0.321 0.000 0.831 5 P HA 0.007 nan 4.420 nan 0.000 0.264 5 P C 0.797 177.982 177.300 -0.192 0.000 1.179 5 P CA 0.082 63.041 63.100 -0.236 0.000 0.763 5 P CB 0.606 32.122 31.700 -0.306 0.000 0.806 6 Q N 2.665 122.396 119.800 -0.115 0.000 2.152 6 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 6 Q C 1.712 177.658 176.000 -0.091 0.000 0.985 6 Q CA 1.944 57.702 55.803 -0.076 0.000 0.863 6 Q CB -0.035 28.675 28.738 -0.047 0.000 0.904 6 Q HN 0.576 nan 8.270 nan 0.000 0.422 7 Q N -0.229 119.491 119.800 -0.133 0.000 2.170 7 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 7 Q C 2.073 177.970 176.000 -0.173 0.000 0.976 7 Q CA 1.422 57.141 55.803 -0.140 0.000 0.858 7 Q CB -0.576 28.070 28.738 -0.153 0.000 0.907 7 Q HN 0.515 nan 8.270 nan 0.000 0.433 8 I N 1.483 121.906 120.570 -0.245 0.000 2.193 8 I HA -0.204 3.966 4.170 -0.000 0.000 0.240 8 I C 1.975 178.040 176.117 -0.087 0.000 1.084 8 I CA 0.927 62.098 61.300 -0.214 0.000 1.365 8 I CB -0.478 37.346 38.000 -0.293 0.000 1.064 8 I HN 0.146 nan 8.210 nan 0.000 0.410 9 N N 1.000 119.699 118.700 -0.001 0.000 2.094 9 N HA -0.248 4.491 4.740 -0.000 0.000 0.191 9 N C 1.509 177.049 175.510 0.051 0.000 1.023 9 N CA 1.839 54.947 53.050 0.096 0.000 0.857 9 N CB -0.559 37.978 38.487 0.083 0.000 1.013 9 N HN 0.387 nan 8.380 nan 0.000 0.426 10 D N 0.314 120.724 120.400 0.017 0.000 2.084 10 D HA -0.090 4.550 4.640 -0.000 0.000 0.194 10 D C 1.863 178.179 176.300 0.026 0.000 0.990 10 D CA 0.553 54.577 54.000 0.040 0.000 0.826 10 D CB -0.188 40.617 40.800 0.009 0.000 0.971 10 D HN 0.105 nan 8.370 nan 0.000 0.453 11 I N -0.235 120.318 120.570 -0.029 0.000 2.394 11 I HA -0.132 4.037 4.170 -0.000 0.000 0.251 11 I C 2.037 178.126 176.117 -0.045 0.000 1.136 11 I CA 0.789 62.065 61.300 -0.039 0.000 1.425 11 I CB -0.145 37.819 38.000 -0.061 0.000 1.079 11 I HN -0.020 nan 8.210 nan 0.000 0.425 12 V N 0.020 119.873 119.914 -0.102 0.000 2.307 12 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 12 V C 2.523 178.658 176.094 0.069 0.000 1.045 12 V CA 2.167 64.377 62.300 -0.150 0.000 1.024 12 V CB -1.031 30.412 31.823 -0.634 0.000 0.651 12 V HN 0.521 nan 8.190 nan 0.000 0.449 13 H N 0.808 119.890 119.070 0.021 0.000 2.387 13 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 13 H C 2.402 177.776 175.328 0.077 0.000 1.090 13 H CA 1.796 57.920 56.048 0.126 0.000 1.332 13 H CB -0.062 29.763 29.762 0.106 0.000 1.386 13 H HN 0.281 nan 8.280 nan 0.000 0.516 14 R N -1.175 119.313 120.500 -0.020 0.000 2.189 14 R HA -0.012 4.328 4.340 -0.000 0.000 0.218 14 R C 1.603 177.860 176.300 -0.071 0.000 1.074 14 R CA 1.538 57.584 56.100 -0.090 0.000 0.991 14 R CB 0.255 30.533 30.300 -0.037 0.000 0.883 14 R HN 0.323 nan 8.270 nan 0.000 0.457 15 T N 0.290 114.819 114.554 -0.041 0.000 3.053 15 T HA 0.127 4.477 4.350 -0.000 0.000 0.236 15 T C 1.710 176.363 174.700 -0.079 0.000 0.996 15 T CA 0.232 62.309 62.100 -0.037 0.000 1.185 15 T CB 0.213 69.077 68.868 -0.006 0.000 0.892 15 T HN -0.050 nan 8.240 nan 0.000 0.432 16 I N 2.186 122.695 120.570 -0.102 0.000 2.333 16 I HA -0.051 4.119 4.170 -0.000 0.000 0.246 16 I C 2.576 178.450 176.117 -0.406 0.000 1.106 16 I CA 1.320 62.453 61.300 -0.279 0.000 1.411 16 I CB -1.837 35.911 38.000 -0.419 0.000 1.082 16 I HN 0.252 nan 8.210 nan 0.000 0.420 17 T N 2.196 116.630 114.554 -0.200 0.000 2.684 17 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 17 T C -0.266 174.324 174.700 -0.183 0.000 1.036 17 T CA 1.679 63.690 62.100 -0.149 0.000 1.148 17 T CB -1.344 67.632 68.868 0.179 0.000 0.863 17 T HN 0.237 nan 8.240 nan 0.000 0.436 18 P HA 0.045 nan 4.420 nan 0.000 0.219 18 P C 1.634 178.848 177.300 -0.143 0.000 1.150 18 P CA 0.355 63.379 63.100 -0.126 0.000 0.814 18 P CB -0.156 31.484 31.700 -0.101 0.000 0.787 19 L N -0.372 120.747 121.223 -0.173 0.000 2.013 19 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 19 L C 2.106 178.814 176.870 -0.269 0.000 1.073 19 L CA 1.912 56.636 54.840 -0.193 0.000 0.753 19 L CB -1.163 40.781 42.059 -0.193 0.000 0.890 19 L HN -0.121 nan 8.230 nan 0.000 0.432 20 I N -0.636 119.733 120.570 -0.334 0.000 2.226 20 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 20 I C 2.417 178.409 176.117 -0.208 0.000 1.100 20 I CA 1.018 62.119 61.300 -0.330 0.000 1.374 20 I CB -0.430 37.324 38.000 -0.409 0.000 1.057 20 I HN 0.324 nan 8.210 nan 0.000 0.413 21 E N 0.602 120.707 120.200 -0.159 0.000 2.047 21 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 21 E C 2.176 178.723 176.600 -0.090 0.000 0.987 21 E CA 1.219 57.560 56.400 -0.099 0.000 0.799 21 E CB -0.335 29.323 29.700 -0.071 0.000 0.752 21 E HN 0.577 nan 8.360 nan 0.000 0.449 22 Q N 0.127 119.868 119.800 -0.098 0.000 2.124 22 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 22 Q C 1.847 177.802 176.000 -0.074 0.000 0.977 22 Q CA 1.055 56.815 55.803 -0.073 0.000 0.850 22 Q CB 0.105 28.803 28.738 -0.066 0.000 0.901 22 Q HN 0.170 nan 8.270 nan 0.000 0.429 23 Q N 0.065 119.790 119.800 -0.125 0.000 2.319 23 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 23 Q C -0.389 175.549 176.000 -0.103 0.000 0.896 23 Q CA 0.148 55.877 55.803 -0.123 0.000 0.942 23 Q CB 0.682 29.258 28.738 -0.272 0.000 1.083 23 Q HN 0.281 nan 8.270 nan 0.000 0.510 24 K N 0.926 121.267 120.400 -0.100 0.000 3.148 24 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 24 K C -0.487 176.065 176.600 -0.080 0.000 0.996 24 K CA 0.296 56.537 56.287 -0.075 0.000 0.737 24 K CB -1.974 30.500 32.500 -0.042 0.000 1.308 24 K HN 0.270 nan 8.250 nan 0.000 0.470 25 I N 1.177 121.670 120.570 -0.128 0.000 2.452 25 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 25 I C -0.902 175.188 176.117 -0.046 0.000 1.079 25 I CA -2.022 59.217 61.300 -0.103 0.000 1.387 25 I CB 0.836 38.707 38.000 -0.215 0.000 1.404 25 I HN 0.030 nan 8.210 nan 0.000 0.522 26 P HA 0.048 nan 4.420 nan 0.000 0.220 26 P C 0.326 177.674 177.300 0.080 0.000 1.152 26 P CA 0.465 63.554 63.100 -0.019 0.000 0.812 26 P CB 0.363 31.968 31.700 -0.158 0.000 0.792 27 G N -0.999 107.908 108.800 0.178 0.000 2.746 27 G HA2 0.656 4.616 3.960 -0.000 0.000 0.297 27 G HA3 0.656 4.616 3.960 -0.000 0.000 0.297 27 G C -1.966 173.175 174.900 0.401 0.000 1.426 27 G CA -0.354 44.927 45.100 0.303 0.000 0.989 27 G HN 0.036 nan 8.290 nan 0.000 0.520 28 M N 1.466 121.338 119.600 0.454 0.000 2.413 28 M HA 0.727 5.207 4.480 -0.000 0.000 0.287 28 M C -1.315 175.316 176.300 0.550 0.000 1.186 28 M CA -0.506 55.034 55.300 0.398 0.000 0.927 28 M CB 2.265 34.949 32.600 0.139 0.000 1.715 28 M HN 1.020 nan 8.290 nan 0.000 0.478 29 A N 3.460 126.476 122.820 0.326 0.000 2.371 29 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 29 A C -1.701 176.099 177.584 0.360 0.000 1.068 29 A CA -0.628 51.643 52.037 0.390 0.000 0.744 29 A CB 1.747 20.933 19.000 0.309 0.000 1.239 29 A HN 0.625 nan 8.150 nan 0.000 0.435 30 V N 0.952 121.194 119.914 0.546 0.000 2.709 30 V HA 0.768 4.888 4.120 -0.000 0.000 0.308 30 V C 0.109 176.535 176.094 0.554 0.000 1.062 30 V CA -0.271 62.331 62.300 0.503 0.000 0.901 30 V CB 1.830 33.983 31.823 0.550 0.000 1.003 30 V HN 1.381 nan 8.190 nan 0.000 0.425 31 A N 4.061 127.120 122.820 0.398 0.000 2.331 31 A HA 0.884 5.204 4.320 -0.000 0.000 0.320 31 A C -0.986 176.745 177.584 0.246 0.000 1.138 31 A CA -0.554 51.651 52.037 0.280 0.000 0.790 31 A CB 1.645 20.756 19.000 0.185 0.000 1.206 31 A HN 0.669 nan 8.150 nan 0.000 0.470 32 V N 3.395 123.483 119.914 0.290 0.000 2.417 32 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 32 V C -0.729 175.481 176.094 0.194 0.000 1.024 32 V CA -0.279 62.169 62.300 0.246 0.000 0.861 32 V CB 1.328 33.327 31.823 0.293 0.000 0.985 32 V HN 0.719 nan 8.190 nan 0.000 0.436 33 I N 5.788 126.430 120.570 0.120 0.000 2.312 33 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 33 I C -0.715 175.509 176.117 0.177 0.000 1.008 33 I CA -0.196 61.150 61.300 0.076 0.000 1.226 33 I CB 0.827 38.805 38.000 -0.036 0.000 1.371 33 I HN 0.606 nan 8.210 nan 0.000 0.468 34 Y N 5.242 125.606 120.300 0.106 0.000 2.373 34 Y HA 0.335 4.885 4.550 0.000 0.000 0.336 34 Y C 0.155 176.107 175.900 0.087 0.000 0.979 34 Y CA -0.898 57.265 58.100 0.106 0.000 1.080 34 Y CB 1.291 39.847 38.460 0.161 0.000 1.190 34 Y HN 0.688 nan 8.280 nan 0.000 0.446 35 Q N 4.531 124.054 119.800 -0.462 0.000 2.435 35 Q HA -0.276 4.064 4.340 -0.000 0.000 0.286 35 Q C 1.118 177.028 176.000 -0.150 0.000 1.229 35 Q CA 1.267 56.865 55.803 -0.342 0.000 0.884 35 Q CB -1.610 26.895 28.738 -0.389 0.000 1.245 35 Q HN 1.428 nan 8.270 nan 0.000 0.488 36 G N -0.714 108.013 108.800 -0.121 0.000 2.205 36 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.261 36 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.261 36 G C 0.075 174.918 174.900 -0.095 0.000 0.980 36 G CA 0.734 45.771 45.100 -0.106 0.000 0.632 36 G HN 0.305 nan 8.290 nan 0.000 0.533 37 K N 1.498 121.855 120.400 -0.071 0.000 2.138 37 K HA 0.536 4.856 4.320 -0.000 0.000 0.263 37 K C -2.577 173.818 176.600 -0.342 0.000 0.965 37 K CA -1.926 54.250 56.287 -0.185 0.000 0.868 37 K CB 2.527 34.917 32.500 -0.184 0.000 1.083 37 K HN 0.069 nan 8.250 nan 0.000 0.443 38 P HA 0.207 nan 4.420 nan 0.000 0.288 38 P C -1.504 175.163 177.300 -1.054 0.000 1.267 38 P CA -0.369 62.368 63.100 -0.604 0.000 0.815 38 P CB 0.588 31.991 31.700 -0.494 0.000 0.989 39 Y N 1.310 121.324 120.300 -0.478 0.000 2.425 39 Y HA 0.466 5.015 4.550 -0.000 0.000 0.344 39 Y C -0.096 175.379 175.900 -0.709 0.000 0.969 39 Y CA -0.583 57.222 58.100 -0.492 0.000 1.052 39 Y CB 1.862 40.215 38.460 -0.178 0.000 1.215 39 Y HN 0.285 nan 8.280 nan 0.000 0.451 40 Y N 2.359 122.418 120.300 -0.401 0.000 2.468 40 Y HA 0.702 5.252 4.550 -0.000 0.000 0.342 40 Y C -1.084 174.348 175.900 -0.780 0.000 1.021 40 Y CA -1.581 56.313 58.100 -0.342 0.000 1.079 40 Y CB 1.430 39.806 38.460 -0.140 0.000 1.226 40 Y HN 0.370 nan 8.280 nan 0.000 0.460 41 F N 0.202 120.255 119.950 0.171 0.000 2.574 41 F HA 0.629 5.156 4.527 -0.000 0.000 0.313 41 F C -0.340 175.350 175.800 -0.183 0.000 1.130 41 F CA -1.012 56.908 58.000 -0.134 0.000 0.936 41 F CB 2.243 41.162 39.000 -0.135 0.000 1.219 41 F HN 0.394 nan 8.300 nan 0.000 0.445 42 T N -1.352 113.017 114.554 -0.308 0.000 2.906 42 T HA 0.697 5.047 4.350 -0.000 0.000 0.295 42 T C -1.527 173.019 174.700 -0.256 0.000 1.061 42 T CA -0.757 61.313 62.100 -0.050 0.000 1.000 42 T CB 1.977 70.886 68.868 0.069 0.000 1.103 42 T HN 0.614 nan 8.240 nan 0.000 0.486 43 W N 0.403 121.787 121.300 0.139 0.000 3.138 43 W HA 0.496 5.156 4.660 -0.000 0.000 0.331 43 W C 0.749 177.286 176.519 0.030 0.000 1.166 43 W CA -0.260 57.128 57.345 0.070 0.000 1.212 43 W CB 1.801 31.303 29.460 0.069 0.000 1.399 43 W HN 1.404 nan 8.180 nan 0.000 0.514 44 G N 1.557 110.425 108.800 0.113 0.000 2.562 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G C -1.571 173.255 174.900 -0.122 0.000 1.269 44 G CA -0.360 44.663 45.100 -0.128 0.000 0.919 44 G HN 0.558 nan 8.290 nan 0.000 0.574 45 Y N 0.228 120.614 120.300 0.143 0.000 2.393 45 Y HA 0.557 5.107 4.550 -0.000 0.000 0.341 45 Y C 1.373 177.375 175.900 0.169 0.000 0.988 45 Y CA -0.381 57.794 58.100 0.125 0.000 1.078 45 Y CB 1.986 40.486 38.460 0.065 0.000 1.203 45 Y HN 0.821 nan 8.280 nan 0.000 0.453 46 A N 1.148 124.173 122.820 0.342 0.000 1.929 46 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 46 A C 0.350 178.141 177.584 0.345 0.000 1.176 46 A CA 1.506 53.692 52.037 0.248 0.000 0.628 46 A CB -0.002 19.078 19.000 0.135 0.000 0.816 46 A HN 0.680 nan 8.150 nan 0.000 0.444 47 D N -1.190 119.403 120.400 0.323 0.000 2.476 47 D HA 0.412 5.052 4.640 -0.000 0.000 0.251 47 D C 0.620 176.979 176.300 0.098 0.000 1.291 47 D CA -0.469 53.729 54.000 0.330 0.000 0.939 47 D CB 0.784 41.763 40.800 0.299 0.000 1.221 47 D HN 0.141 nan 8.370 nan 0.000 0.567 48 I N 2.363 122.987 120.570 0.090 0.000 2.142 48 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 48 I C 2.468 178.444 176.117 -0.235 0.000 1.078 48 I CA 1.252 62.462 61.300 -0.150 0.000 1.343 48 I CB -0.084 37.774 38.000 -0.236 0.000 1.046 48 I HN 0.460 nan 8.210 nan 0.000 0.405 49 A N 0.649 123.396 122.820 -0.123 0.000 1.908 49 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 49 A C 2.234 179.728 177.584 -0.150 0.000 1.181 49 A CA 1.700 53.658 52.037 -0.131 0.000 0.627 49 A CB -0.425 18.505 19.000 -0.117 0.000 0.818 49 A HN 0.357 nan 8.150 nan 0.000 0.445 50 K N -1.006 119.314 120.400 -0.134 0.000 2.426 50 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 50 K C -0.273 176.207 176.600 -0.199 0.000 1.028 50 K CA 0.210 56.430 56.287 -0.112 0.000 1.047 50 K CB 0.106 32.589 32.500 -0.028 0.000 0.821 50 K HN 0.411 nan 8.250 nan 0.000 0.513 51 K N 1.461 121.598 120.400 -0.439 0.000 3.077 51 K HA -0.226 4.094 4.320 -0.000 0.000 0.264 51 K C -0.367 176.046 176.600 -0.312 0.000 1.008 51 K CA 0.357 56.134 56.287 -0.851 0.000 0.740 51 K CB -1.188 30.985 32.500 -0.546 0.000 1.273 51 K HN 0.172 nan 8.250 nan 0.000 0.477 52 Q N 1.133 120.867 119.800 -0.110 0.000 2.314 52 Q HA 0.194 4.534 4.340 -0.000 0.000 0.257 52 Q C -2.314 173.853 176.000 0.279 0.000 0.975 52 Q CA -2.135 53.726 55.803 0.096 0.000 0.933 52 Q CB 0.951 29.746 28.738 0.095 0.000 1.195 52 Q HN 0.013 nan 8.270 nan 0.000 0.426 53 P HA -0.002 nan 4.420 nan 0.000 0.274 53 P C -0.674 176.757 177.300 0.217 0.000 1.231 53 P CA -0.299 62.981 63.100 0.300 0.000 0.790 53 P CB 0.850 32.665 31.700 0.192 0.000 0.951 54 V N 2.755 122.807 119.914 0.229 0.000 2.599 54 V HA 0.151 4.271 4.120 -0.000 0.000 0.300 54 V C 1.292 177.494 176.094 0.180 0.000 1.034 54 V CA 0.878 63.323 62.300 0.241 0.000 1.115 54 V CB -0.040 32.008 31.823 0.376 0.000 0.934 54 V HN 0.868 nan 8.190 nan 0.000 0.485 55 T N 1.349 115.994 114.554 0.151 0.000 2.831 55 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 55 T C 0.542 175.286 174.700 0.074 0.000 1.070 55 T CA -0.736 61.413 62.100 0.081 0.000 1.010 55 T CB 1.611 70.497 68.868 0.029 0.000 1.264 55 T HN 0.410 nan 8.240 nan 0.000 0.532 56 Q N -0.307 119.475 119.800 -0.029 0.000 2.364 56 Q HA -0.049 4.291 4.340 -0.000 0.000 0.209 56 Q C 1.579 177.521 176.000 -0.096 0.000 0.977 56 Q CA 1.190 56.918 55.803 -0.124 0.000 0.885 56 Q CB -0.001 28.561 28.738 -0.295 0.000 0.941 56 Q HN 0.490 nan 8.270 nan 0.000 0.464 57 Q N -0.496 119.253 119.800 -0.085 0.000 2.219 57 Q HA 0.114 4.454 4.340 -0.000 0.000 0.209 57 Q C -0.161 175.808 176.000 -0.051 0.000 0.854 57 Q CA 0.206 55.921 55.803 -0.147 0.000 0.960 57 Q CB 1.043 29.634 28.738 -0.247 0.000 1.116 57 Q HN 0.163 nan 8.270 nan 0.000 0.500 58 T N 2.017 116.598 114.554 0.045 0.000 2.834 58 T HA 0.238 4.588 4.350 -0.000 0.000 0.298 58 T C 0.118 174.853 174.700 0.058 0.000 0.966 58 T CA -0.153 61.963 62.100 0.027 0.000 1.141 58 T CB 0.457 69.333 68.868 0.013 0.000 0.905 58 T HN -0.010 nan 8.240 nan 0.000 0.535 59 L N 4.294 125.511 121.223 -0.010 0.000 2.305 59 L HA 0.484 4.824 4.340 -0.000 0.000 0.281 59 L C -0.362 176.487 176.870 -0.034 0.000 1.085 59 L CA 0.113 54.964 54.840 0.018 0.000 0.813 59 L CB 0.184 42.180 42.059 -0.105 0.000 1.157 59 L HN 0.533 nan 8.230 nan 0.000 0.436 60 F N 0.546 120.530 119.950 0.056 0.000 2.522 60 F HA 0.417 4.944 4.527 -0.000 0.000 0.324 60 F C 0.468 176.035 175.800 -0.388 0.000 1.077 60 F CA -0.921 57.065 58.000 -0.024 0.000 0.944 60 F CB 1.325 40.455 39.000 0.216 0.000 1.175 60 F HN 0.405 nan 8.300 nan 0.000 0.468 61 E N 2.789 122.463 120.200 -0.876 0.000 2.290 61 E HA 0.145 4.495 4.350 -0.000 0.000 0.277 61 E C 0.465 176.972 176.600 -0.154 0.000 1.035 61 E CA -0.024 56.050 56.400 -0.543 0.000 0.873 61 E CB 0.832 30.129 29.700 -0.672 0.000 1.029 61 E HN 0.620 nan 8.360 nan 0.000 0.419 62 L N 2.845 124.058 121.223 -0.017 0.000 2.418 62 L HA 0.074 4.414 4.340 -0.000 0.000 0.218 62 L C 1.432 178.386 176.870 0.139 0.000 1.125 62 L CA 0.475 55.372 54.840 0.095 0.000 0.835 62 L CB -0.795 41.325 42.059 0.102 0.000 0.953 62 L HN 0.906 nan 8.230 nan 0.000 0.454 63 G N 0.486 109.375 108.800 0.149 0.000 2.596 63 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.295 63 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.295 63 G C 0.796 175.828 174.900 0.220 0.000 1.240 63 G CA 0.360 45.580 45.100 0.199 0.000 0.985 63 G HN 0.206 nan 8.290 nan 0.000 0.555 64 S N -0.061 115.745 115.700 0.177 0.000 2.547 64 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 64 S C 2.370 177.054 174.600 0.139 0.000 0.980 64 S CA 1.203 59.511 58.200 0.179 0.000 0.941 64 S CB -0.090 63.173 63.200 0.106 0.000 0.763 64 S HN 0.736 nan 8.310 nan 0.000 0.532 65 V N 1.678 121.673 119.914 0.136 0.000 2.720 65 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 65 V C 2.191 178.387 176.094 0.170 0.000 1.082 65 V CA 1.552 63.922 62.300 0.117 0.000 1.101 65 V CB -0.904 31.017 31.823 0.164 0.000 0.693 65 V HN 0.464 nan 8.190 nan 0.000 0.479 66 S N -0.055 115.780 115.700 0.224 0.000 2.402 66 S HA -0.280 4.190 4.470 -0.000 0.000 0.233 66 S C 1.908 176.674 174.600 0.276 0.000 1.030 66 S CA 1.568 59.941 58.200 0.287 0.000 1.003 66 S CB -0.330 62.984 63.200 0.191 0.000 0.813 66 S HN 0.656 nan 8.310 nan 0.000 0.477 67 K N 0.890 121.405 120.400 0.192 0.000 2.211 67 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 67 K C 2.473 179.101 176.600 0.047 0.000 1.047 67 K CA 1.642 58.026 56.287 0.162 0.000 0.935 67 K CB -0.570 32.045 32.500 0.191 0.000 0.728 67 K HN 0.655 nan 8.250 nan 0.000 0.452 68 T N -1.114 113.355 114.554 -0.141 0.000 2.821 68 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 68 T C 1.757 176.464 174.700 0.011 0.000 1.046 68 T CA 0.839 62.680 62.100 -0.431 0.000 1.139 68 T CB -0.403 67.786 68.868 -1.132 0.000 0.871 68 T HN 0.039 nan 8.240 nan 0.000 0.454 69 F N 2.190 122.192 119.950 0.087 0.000 2.146 69 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 69 F C 3.030 178.893 175.800 0.106 0.000 1.096 69 F CA 1.360 59.370 58.000 0.017 0.000 1.275 69 F CB -1.209 37.682 39.000 -0.183 0.000 1.008 69 F HN 0.131 nan 8.300 nan 0.000 0.480 70 T N -0.467 114.294 114.554 0.345 0.000 2.720 70 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 70 T C 2.369 177.273 174.700 0.339 0.000 1.037 70 T CA 1.466 63.785 62.100 0.365 0.000 1.144 70 T CB -1.061 68.032 68.868 0.375 0.000 0.864 70 T HN 0.451 nan 8.240 nan 0.000 0.444 71 G N 0.876 109.837 108.800 0.268 0.000 2.418 71 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 71 G C 1.704 176.765 174.900 0.270 0.000 1.158 71 G CA 0.817 46.064 45.100 0.245 0.000 0.771 71 G HN 0.437 nan 8.290 nan 0.000 0.545 72 V N 0.575 120.658 119.914 0.282 0.000 2.358 72 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 72 V C 2.674 178.893 176.094 0.209 0.000 1.047 72 V CA 1.489 63.962 62.300 0.288 0.000 1.035 72 V CB -0.338 31.749 31.823 0.440 0.000 0.658 72 V HN 0.340 nan 8.190 nan 0.000 0.452 73 L N 1.310 122.634 121.223 0.167 0.000 2.042 73 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 73 L C 2.321 179.214 176.870 0.039 0.000 1.076 73 L CA 2.461 57.323 54.840 0.035 0.000 0.749 73 L CB -1.217 40.783 42.059 -0.098 0.000 0.893 73 L HN 0.279 nan 8.230 nan 0.000 0.432 74 G N -1.283 107.599 108.800 0.137 0.000 2.418 74 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G C 1.538 176.546 174.900 0.180 0.000 1.158 74 G CA 0.552 45.747 45.100 0.159 0.000 0.771 74 G HN 0.591 nan 8.290 nan 0.000 0.545 75 G N 0.744 109.663 108.800 0.198 0.000 2.469 75 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 75 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 75 G C 1.458 176.417 174.900 0.099 0.000 1.150 75 G CA 1.463 46.655 45.100 0.154 0.000 0.763 75 G HN 0.510 nan 8.290 nan 0.000 0.561 76 D N 0.475 120.922 120.400 0.079 0.000 2.117 76 D HA 0.027 4.667 4.640 -0.000 0.000 0.197 76 D C 2.666 178.975 176.300 0.015 0.000 0.987 76 D CA 1.503 55.527 54.000 0.040 0.000 0.829 76 D CB -0.287 40.527 40.800 0.024 0.000 0.961 76 D HN 0.258 nan 8.370 nan 0.000 0.460 77 A N -0.044 122.775 122.820 -0.001 0.000 1.933 77 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 77 A C 2.305 179.890 177.584 0.002 0.000 1.175 77 A CA 1.092 53.114 52.037 -0.026 0.000 0.628 77 A CB -0.739 18.212 19.000 -0.083 0.000 0.814 77 A HN 0.388 nan 8.150 nan 0.000 0.444 78 I N -0.129 120.461 120.570 0.033 0.000 2.179 78 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 78 I C 2.951 179.095 176.117 0.044 0.000 1.088 78 I CA 1.136 62.467 61.300 0.051 0.000 1.357 78 I CB -0.388 37.661 38.000 0.082 0.000 1.051 78 I HN 0.325 nan 8.210 nan 0.000 0.409 79 A N 0.771 123.616 122.820 0.042 0.000 1.978 79 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 79 A C 2.329 179.926 177.584 0.021 0.000 1.170 79 A CA 1.500 53.557 52.037 0.033 0.000 0.636 79 A CB -0.610 18.410 19.000 0.032 0.000 0.810 79 A HN 0.356 nan 8.150 nan 0.000 0.448 80 R N -1.424 119.085 120.500 0.015 0.000 2.316 80 R HA 0.121 4.461 4.340 -0.000 0.000 0.202 80 R C 1.338 177.647 176.300 0.014 0.000 1.029 80 R CA 0.527 56.631 56.100 0.008 0.000 1.018 80 R CB -0.252 30.046 30.300 -0.005 0.000 0.888 80 R HN 0.713 nan 8.270 nan 0.000 0.471 81 G N 1.072 109.886 108.800 0.024 0.000 2.153 81 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 81 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 81 G C 0.503 175.430 174.900 0.044 0.000 0.994 81 G CA 0.622 45.743 45.100 0.035 0.000 0.698 81 G HN 0.456 nan 8.290 nan 0.000 0.521 82 E N -0.677 119.544 120.200 0.036 0.000 2.170 82 E HA 0.258 4.608 4.350 -0.000 0.000 0.191 82 E C 1.518 178.176 176.600 0.096 0.000 0.981 82 E CA 1.091 57.519 56.400 0.047 0.000 0.830 82 E CB 0.202 29.906 29.700 0.006 0.000 0.775 82 E HN 0.898 nan 8.360 nan 0.000 0.470 83 I N -2.505 118.100 120.570 0.058 0.000 3.074 83 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 83 I C -1.325 174.851 176.117 0.098 0.000 1.153 83 I CA -1.226 60.110 61.300 0.061 0.000 0.993 83 I CB 2.293 40.154 38.000 -0.232 0.000 1.237 83 I HN -0.349 nan 8.210 nan 0.000 0.443 84 K N 3.143 123.641 120.400 0.163 0.000 2.378 84 K HA 0.500 4.820 4.320 -0.000 0.000 0.252 84 K C 0.122 176.799 176.600 0.129 0.000 0.931 84 K CA -0.772 55.596 56.287 0.135 0.000 0.794 84 K CB 2.922 35.507 32.500 0.142 0.000 1.181 84 K HN 0.622 nan 8.250 nan 0.000 0.425 85 L N 1.002 122.281 121.223 0.093 0.000 2.275 85 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 85 L C 2.006 178.905 176.870 0.049 0.000 1.119 85 L CA 1.272 56.147 54.840 0.058 0.000 0.790 85 L CB -0.303 41.746 42.059 -0.017 0.000 0.919 85 L HN 0.711 nan 8.230 nan 0.000 0.443 86 S N -2.541 113.200 115.700 0.069 0.000 2.522 86 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 86 S C 0.593 175.257 174.600 0.105 0.000 0.986 86 S CA -0.121 58.117 58.200 0.063 0.000 0.929 86 S CB -0.340 62.896 63.200 0.061 0.000 0.769 86 S HN 0.226 nan 8.310 nan 0.000 0.529 87 D N 3.640 124.141 120.400 0.168 0.000 2.345 87 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 87 D C -2.651 173.795 176.300 0.243 0.000 1.108 87 D CA -1.808 52.322 54.000 0.216 0.000 0.894 87 D CB 0.864 41.872 40.800 0.346 0.000 1.203 87 D HN 0.124 nan 8.370 nan 0.000 0.430 88 P HA 0.018 nan 4.420 nan 0.000 0.266 88 P C 0.791 178.259 177.300 0.279 0.000 1.195 88 P CA -0.003 63.228 63.100 0.220 0.000 0.768 88 P CB 0.519 32.312 31.700 0.154 0.000 0.838 89 T N 0.992 115.736 114.554 0.318 0.000 2.685 89 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 89 T C 1.698 176.541 174.700 0.239 0.000 1.034 89 T CA 2.497 64.786 62.100 0.314 0.000 1.149 89 T CB -1.143 67.911 68.868 0.311 0.000 0.860 89 T HN 0.644 nan 8.240 nan 0.000 0.449 90 T N 0.488 115.128 114.554 0.144 0.000 2.929 90 T HA -0.077 4.273 4.350 -0.000 0.000 0.271 90 T C 1.758 176.470 174.700 0.020 0.000 1.085 90 T CA 1.303 63.434 62.100 0.053 0.000 1.125 90 T CB -0.301 68.584 68.868 0.029 0.000 0.874 90 T HN 0.442 nan 8.240 nan 0.000 0.494 91 K N 0.216 120.590 120.400 -0.043 0.000 2.147 91 K HA -0.112 4.207 4.320 -0.000 0.000 0.205 91 K C 1.228 177.588 176.600 -0.400 0.000 1.049 91 K CA 1.291 57.399 56.287 -0.298 0.000 0.936 91 K CB -0.187 31.991 32.500 -0.536 0.000 0.722 91 K HN 0.583 nan 8.250 nan 0.000 0.446 92 Y N -2.541 117.797 120.300 0.064 0.000 2.449 92 Y HA 0.114 4.664 4.550 -0.000 0.000 0.254 92 Y C 0.262 176.215 175.900 0.089 0.000 1.140 92 Y CA -0.602 57.522 58.100 0.040 0.000 1.272 92 Y CB 0.563 39.022 38.460 -0.002 0.000 1.114 92 Y HN 0.120 nan 8.280 nan 0.000 0.525 93 W N 2.913 124.213 121.300 -0.001 0.000 2.237 93 W HA 0.409 5.069 4.660 -0.000 0.000 0.289 93 W C -2.560 173.905 176.519 -0.091 0.000 0.988 93 W CA -3.697 53.605 57.345 -0.072 0.000 1.671 93 W CB 1.018 30.385 29.460 -0.155 0.000 1.746 93 W HN -0.109 nan 8.180 nan 0.000 0.380 94 P HA -0.175 nan 4.420 nan 0.000 0.220 94 P C 1.053 178.321 177.300 -0.053 0.000 1.148 94 P CA 1.758 64.877 63.100 0.032 0.000 0.803 94 P CB 0.515 32.238 31.700 0.037 0.000 0.782 95 E N -0.805 119.361 120.200 -0.057 0.000 2.338 95 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 95 E C 0.678 177.001 176.600 -0.462 0.000 1.007 95 E CA 0.317 56.602 56.400 -0.191 0.000 0.849 95 E CB -0.725 28.944 29.700 -0.052 0.000 0.774 95 E HN 0.128 nan 8.360 nan 0.000 0.506 96 L N 1.699 122.484 121.223 -0.730 0.000 2.384 96 L HA 0.087 4.427 4.340 -0.000 0.000 0.258 96 L C 0.781 177.416 176.870 -0.392 0.000 1.266 96 L CA 0.425 54.770 54.840 -0.827 0.000 1.162 96 L CB -0.249 41.082 42.059 -1.212 0.000 1.375 96 L HN 0.042 nan 8.230 nan 0.000 0.420 97 T N -0.539 113.873 114.554 -0.237 0.000 3.044 97 T HA 0.359 4.709 4.350 -0.000 0.000 0.250 97 T C 0.925 175.626 174.700 0.001 0.000 1.081 97 T CA 0.224 62.271 62.100 -0.089 0.000 1.040 97 T CB 0.009 68.836 68.868 -0.068 0.000 0.962 97 T HN 0.514 nan 8.240 nan 0.000 0.506 98 A N 2.656 125.500 122.820 0.039 0.000 2.498 98 A HA 0.315 4.635 4.320 -0.000 0.000 0.239 98 A C 1.643 179.342 177.584 0.191 0.000 1.068 98 A CA -0.102 52.014 52.037 0.131 0.000 0.766 98 A CB 0.280 19.392 19.000 0.186 0.000 1.003 98 A HN 0.631 nan 8.150 nan 0.000 0.497 99 K N 1.419 121.879 120.400 0.101 0.000 2.209 99 K HA -0.217 4.103 4.320 -0.000 0.000 0.204 99 K C 1.407 178.043 176.600 0.061 0.000 1.048 99 K CA 1.536 57.865 56.287 0.071 0.000 0.940 99 K CB -0.088 32.425 32.500 0.022 0.000 0.729 99 K HN 0.806 nan 8.250 nan 0.000 0.451 100 Q N 0.285 120.093 119.800 0.014 0.000 2.437 100 Q HA -0.145 4.194 4.340 -0.000 0.000 0.210 100 Q C 0.762 176.669 176.000 -0.155 0.000 0.972 100 Q CA 1.042 56.758 55.803 -0.145 0.000 0.903 100 Q CB -0.365 28.171 28.738 -0.337 0.000 0.967 100 Q HN 0.594 nan 8.270 nan 0.000 0.486 101 W N 1.283 122.629 121.300 0.077 0.000 3.139 101 W HA 0.168 4.828 4.660 -0.000 0.000 0.260 101 W C 1.493 178.074 176.519 0.104 0.000 1.312 101 W CA -0.031 57.385 57.345 0.119 0.000 1.606 101 W CB 0.058 29.568 29.460 0.083 0.000 1.118 101 W HN 0.173 nan 8.180 nan 0.000 0.675 102 N N 0.257 119.093 118.700 0.228 0.000 2.049 102 N HA -0.172 4.568 4.740 -0.000 0.000 0.198 102 N C 1.868 177.488 175.510 0.183 0.000 1.030 102 N CA 2.168 55.321 53.050 0.173 0.000 0.870 102 N CB -0.953 37.598 38.487 0.107 0.000 1.045 102 N HN 0.125 nan 8.380 nan 0.000 0.434 103 G N -0.995 107.906 108.800 0.167 0.000 3.371 103 G HA2 0.287 4.247 3.960 -0.000 0.000 0.248 103 G HA3 0.287 4.247 3.960 -0.000 0.000 0.248 103 G C -0.070 175.007 174.900 0.295 0.000 1.161 103 G CA -0.303 44.915 45.100 0.197 0.000 0.796 103 G HN 0.151 nan 8.290 nan 0.000 0.539 104 I N 2.687 123.455 120.570 0.329 0.000 2.304 104 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 104 I C 0.747 177.162 176.117 0.497 0.000 1.018 104 I CA -0.457 61.124 61.300 0.468 0.000 1.260 104 I CB 1.345 39.562 38.000 0.362 0.000 1.390 104 I HN 0.060 nan 8.210 nan 0.000 0.475 105 T N 2.923 117.779 114.554 0.504 0.000 2.923 105 T HA 0.457 4.807 4.350 -0.000 0.000 0.281 105 T C 1.236 176.059 174.700 0.205 0.000 0.995 105 T CA -0.875 61.362 62.100 0.228 0.000 0.985 105 T CB 1.485 70.353 68.868 0.001 0.000 1.114 105 T HN 0.413 nan 8.240 nan 0.000 0.548 106 L N 0.309 121.647 121.223 0.191 0.000 2.079 106 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 106 L C 2.560 179.461 176.870 0.052 0.000 1.081 106 L CA 0.988 55.959 54.840 0.219 0.000 0.752 106 L CB -0.802 41.398 42.059 0.235 0.000 0.896 106 L HN 0.612 nan 8.230 nan 0.000 0.433 107 L N -0.313 120.868 121.223 -0.069 0.000 2.012 107 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 107 L C 2.400 179.236 176.870 -0.057 0.000 1.073 107 L CA 1.980 56.711 54.840 -0.181 0.000 0.748 107 L CB -0.625 41.326 42.059 -0.180 0.000 0.891 107 L HN 0.240 nan 8.230 nan 0.000 0.431 108 H N -1.150 117.997 119.070 0.128 0.000 2.353 108 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 108 H C 2.241 177.588 175.328 0.032 0.000 1.090 108 H CA 1.617 57.733 56.048 0.114 0.000 1.327 108 H CB -0.151 29.699 29.762 0.147 0.000 1.383 108 H HN 0.322 nan 8.280 nan 0.000 0.508 109 L N 0.151 121.483 121.223 0.181 0.000 2.017 109 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 109 L C 2.808 179.642 176.870 -0.061 0.000 1.073 109 L CA 0.869 55.789 54.840 0.134 0.000 0.745 109 L CB -0.472 41.734 42.059 0.245 0.000 0.894 109 L HN 0.346 nan 8.230 nan 0.000 0.432 110 A N -0.381 122.225 122.820 -0.358 0.000 2.015 110 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 110 A C 2.059 179.261 177.584 -0.636 0.000 1.163 110 A CA 1.975 53.547 52.037 -0.774 0.000 0.646 110 A CB -0.620 17.457 19.000 -1.539 0.000 0.806 110 A HN 0.527 nan 8.150 nan 0.000 0.448 111 T N -6.810 107.473 114.554 -0.451 0.000 3.132 111 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 111 T C 0.182 174.660 174.700 -0.369 0.000 1.011 111 T CA 0.206 62.054 62.100 -0.421 0.000 0.899 111 T CB -0.414 68.493 68.868 0.065 0.000 1.089 111 T HN 0.659 nan 8.240 nan 0.000 0.543 112 Y N 0.982 121.291 120.300 0.016 0.000 4.272 112 Y HA -0.246 4.304 4.550 -0.000 0.000 0.232 112 Y C 1.179 177.042 175.900 -0.061 0.000 1.149 112 Y CA 0.468 58.572 58.100 0.007 0.000 1.961 112 Y CB -3.148 35.341 38.460 0.049 0.000 1.611 112 Y HN 0.605 nan 8.280 nan 0.000 0.682 113 T N -4.436 110.112 114.554 -0.010 0.000 3.215 113 T HA 0.682 5.032 4.350 -0.000 0.000 0.271 113 T C 1.484 176.129 174.700 -0.091 0.000 1.012 113 T CA 0.194 62.195 62.100 -0.166 0.000 0.899 113 T CB 0.554 69.081 68.868 -0.569 0.000 1.089 113 T HN 0.491 nan 8.240 nan 0.000 0.552 114 A N 1.405 124.245 122.820 0.033 0.000 2.121 114 A HA 0.537 4.856 4.320 -0.000 0.000 0.218 114 A C 1.890 179.534 177.584 0.099 0.000 1.154 114 A CA 0.658 52.705 52.037 0.016 0.000 0.679 114 A CB -0.895 18.118 19.000 0.022 0.000 0.795 114 A HN 1.525 nan 8.150 nan 0.000 0.458 115 G N -2.951 105.975 108.800 0.210 0.000 2.245 115 G HA2 0.395 4.355 3.960 -0.000 0.000 0.130 115 G HA3 0.395 4.355 3.960 -0.000 0.000 0.130 115 G C 0.997 176.228 174.900 0.551 0.000 1.040 115 G CA 0.320 45.653 45.100 0.389 0.000 0.713 115 G HN 2.026 nan 8.290 nan 0.000 0.488 116 G N -0.968 108.168 108.800 0.561 0.000 2.164 116 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 116 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 116 G C 0.453 175.615 174.900 0.438 0.000 1.031 116 G CA 0.030 45.421 45.100 0.485 0.000 0.730 116 G HN 1.333 nan 8.290 nan 0.000 0.501 117 L N 1.541 122.848 121.223 0.140 0.000 2.514 117 L HA 0.245 4.585 4.340 -0.000 0.000 0.280 117 L C -0.803 176.080 176.870 0.022 0.000 1.223 117 L CA -1.134 53.558 54.840 -0.247 0.000 0.864 117 L CB 0.345 42.190 42.059 -0.356 0.000 1.118 117 L HN 0.126 nan 8.230 nan 0.000 0.494 118 P HA 0.004 nan 4.420 nan 0.000 0.276 118 P C 0.526 177.823 177.300 -0.005 0.000 1.244 118 P CA -0.612 62.540 63.100 0.087 0.000 0.801 118 P CB 1.064 32.858 31.700 0.156 0.000 1.006 119 L N 0.475 121.661 121.223 -0.062 0.000 1.997 119 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 119 L C 0.828 177.623 176.870 -0.125 0.000 1.074 119 L CA 2.142 56.876 54.840 -0.178 0.000 0.763 119 L CB -0.739 41.247 42.059 -0.121 0.000 0.890 119 L HN 0.382 nan 8.230 nan 0.000 0.434 120 Q N -0.728 119.038 119.800 -0.058 0.000 2.377 120 Q HA 0.390 4.730 4.340 -0.000 0.000 0.271 120 Q C -0.748 175.192 176.000 -0.101 0.000 1.077 120 Q CA -0.967 54.811 55.803 -0.042 0.000 0.820 120 Q CB 1.850 30.564 28.738 -0.040 0.000 1.347 120 Q HN -0.057 nan 8.270 nan 0.000 0.444 121 V N 3.254 123.089 119.914 -0.133 0.000 2.540 121 V HA 0.050 4.169 4.120 -0.000 0.000 0.297 121 V C -1.965 173.899 176.094 -0.384 0.000 1.024 121 V CA -0.815 61.233 62.300 -0.420 0.000 1.105 121 V CB -0.127 31.537 31.823 -0.266 0.000 0.938 121 V HN 0.581 nan 8.190 nan 0.000 0.482 122 P HA -0.022 nan 4.420 nan 0.000 0.264 122 P C 0.606 177.788 177.300 -0.196 0.000 1.179 122 P CA 0.202 63.121 63.100 -0.301 0.000 0.763 122 P CB 0.472 31.982 31.700 -0.316 0.000 0.806 123 D N 1.946 122.284 120.400 -0.104 0.000 2.182 123 D HA -0.182 4.457 4.640 -0.000 0.000 0.201 123 D C 1.138 177.406 176.300 -0.053 0.000 0.986 123 D CA 1.467 55.432 54.000 -0.057 0.000 0.847 123 D CB 0.042 40.826 40.800 -0.026 0.000 0.942 123 D HN 0.366 nan 8.370 nan 0.000 0.467 124 E N -0.678 119.486 120.200 -0.061 0.000 2.347 124 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 124 E C 0.209 176.786 176.600 -0.038 0.000 1.008 124 E CA 0.041 56.418 56.400 -0.038 0.000 0.852 124 E CB 0.228 29.912 29.700 -0.026 0.000 0.783 124 E HN 0.093 nan 8.360 nan 0.000 0.505 125 V N 1.902 121.771 119.914 -0.074 0.000 2.479 125 V HA -0.022 4.097 4.120 -0.000 0.000 0.281 125 V C 0.929 177.007 176.094 -0.026 0.000 1.031 125 V CA 0.718 62.985 62.300 -0.054 0.000 1.038 125 V CB 0.983 32.730 31.823 -0.125 0.000 0.981 125 V HN 0.180 nan 8.190 nan 0.000 0.478 126 K N 2.351 122.753 120.400 0.003 0.000 2.410 126 K HA 0.167 4.487 4.320 -0.000 0.000 0.204 126 K C 0.939 177.551 176.600 0.020 0.000 1.268 126 K CA 0.319 56.610 56.287 0.007 0.000 0.896 126 K CB 0.385 32.889 32.500 0.008 0.000 1.401 126 K HN 0.687 nan 8.250 nan 0.000 0.479 127 S N 0.768 116.488 115.700 0.034 0.000 2.645 127 S HA 0.068 4.538 4.470 -0.000 0.000 0.266 127 S C 1.320 175.960 174.600 0.067 0.000 1.258 127 S CA -0.120 58.105 58.200 0.042 0.000 0.990 127 S CB 1.531 64.757 63.200 0.044 0.000 0.967 127 S HN 0.253 nan 8.310 nan 0.000 0.556 128 S N 0.689 116.429 115.700 0.067 0.000 2.382 128 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 128 S C 1.983 176.676 174.600 0.155 0.000 1.027 128 S CA 1.343 59.603 58.200 0.099 0.000 0.991 128 S CB -1.221 62.021 63.200 0.071 0.000 0.823 128 S HN 0.803 nan 8.310 nan 0.000 0.469 129 S N 1.844 117.615 115.700 0.119 0.000 2.368 129 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 129 S C 1.571 176.252 174.600 0.135 0.000 1.030 129 S CA 1.573 59.845 58.200 0.120 0.000 0.999 129 S CB -0.905 62.343 63.200 0.081 0.000 0.844 129 S HN 0.565 nan 8.310 nan 0.000 0.459 130 D N 0.938 121.408 120.400 0.118 0.000 2.123 130 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 130 D C 1.879 178.293 176.300 0.189 0.000 0.992 130 D CA 0.836 54.908 54.000 0.120 0.000 0.833 130 D CB -0.517 40.328 40.800 0.076 0.000 0.954 130 D HN 0.339 nan 8.370 nan 0.000 0.455 131 L N 0.437 121.798 121.223 0.230 0.000 2.027 131 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 131 L C 2.155 179.351 176.870 0.544 0.000 1.074 131 L CA 1.134 56.199 54.840 0.375 0.000 0.745 131 L CB -0.613 41.656 42.059 0.350 0.000 0.898 131 L HN 0.007 nan 8.230 nan 0.000 0.433 132 L N -0.342 121.163 121.223 0.470 0.000 2.046 132 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 132 L C 2.717 179.672 176.870 0.141 0.000 1.077 132 L CA 1.912 56.932 54.840 0.301 0.000 0.747 132 L CB -0.666 41.520 42.059 0.212 0.000 0.896 132 L HN 0.301 nan 8.230 nan 0.000 0.432 133 R N -1.420 119.179 120.500 0.165 0.000 2.083 133 R HA -0.249 4.091 4.340 -0.000 0.000 0.237 133 R C 2.337 178.737 176.300 0.165 0.000 1.137 133 R CA 2.011 58.188 56.100 0.129 0.000 0.951 133 R CB -0.638 29.736 30.300 0.123 0.000 0.851 133 R HN 0.460 nan 8.270 nan 0.000 0.434 134 F N 0.316 120.303 119.950 0.061 0.000 2.069 134 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 134 F C 1.459 177.296 175.800 0.062 0.000 1.113 134 F CA 1.578 59.577 58.000 -0.002 0.000 1.214 134 F CB -0.754 38.162 39.000 -0.141 0.000 0.978 134 F HN 0.030 nan 8.300 nan 0.000 0.474 135 Y N 0.547 120.734 120.300 -0.189 0.000 2.242 135 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 135 Y C 2.647 178.640 175.900 0.155 0.000 1.137 135 Y CA 1.511 59.515 58.100 -0.160 0.000 1.181 135 Y CB -0.914 37.448 38.460 -0.164 0.000 0.989 135 Y HN 0.144 nan 8.280 nan 0.000 0.527 136 Q N 0.055 119.931 119.800 0.128 0.000 2.170 136 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 136 Q C 1.285 177.394 176.000 0.181 0.000 0.976 136 Q CA 1.388 57.269 55.803 0.129 0.000 0.858 136 Q CB -0.474 28.260 28.738 -0.006 0.000 0.907 136 Q HN 0.671 nan 8.270 nan 0.000 0.433 137 N N -0.911 117.870 118.700 0.135 0.000 2.373 137 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 137 N C -0.085 175.473 175.510 0.081 0.000 1.082 137 N CA -0.408 52.696 53.050 0.090 0.000 0.885 137 N CB 0.222 38.759 38.487 0.084 0.000 0.977 137 N HN 0.157 nan 8.380 nan 0.000 0.462 138 W N 3.024 124.272 121.300 -0.086 0.000 2.251 138 W HA 0.070 4.729 4.660 -0.000 0.000 0.327 138 W C -0.603 175.832 176.519 -0.141 0.000 1.361 138 W CA -0.036 57.220 57.345 -0.149 0.000 1.234 138 W CB 0.541 29.846 29.460 -0.259 0.000 1.212 138 W HN -0.070 nan 8.180 nan 0.000 0.557 139 Q N 8.316 127.531 119.800 -0.975 0.000 2.322 139 Q HA 0.346 4.686 4.340 -0.000 0.000 0.265 139 Q C -2.107 172.994 176.000 -1.498 0.000 0.985 139 Q CA -2.145 53.020 55.803 -1.064 0.000 0.849 139 Q CB 1.377 29.791 28.738 -0.539 0.000 1.274 139 Q HN 0.384 nan 8.270 nan 0.000 0.449 140 P HA 0.114 nan 4.420 nan 0.000 0.275 140 P C -0.168 176.745 177.300 -0.645 0.000 1.227 140 P CA 0.007 62.467 63.100 -1.067 0.000 0.781 140 P CB 0.954 32.205 31.700 -0.750 0.000 0.906 141 A N 2.940 125.385 122.820 -0.624 0.000 2.016 141 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 141 A C 0.394 177.308 177.584 -1.117 0.000 1.162 141 A CA 0.776 52.193 52.037 -1.034 0.000 0.662 141 A CB -0.268 17.694 19.000 -1.730 0.000 0.812 141 A HN 0.584 nan 8.150 nan 0.000 0.450 142 W N -2.895 118.352 121.300 -0.089 0.000 3.075 142 W HA 0.629 5.289 4.660 -0.000 0.000 0.334 142 W C 0.002 176.460 176.519 -0.101 0.000 1.243 142 W CA -1.255 56.042 57.345 -0.080 0.000 1.170 142 W CB 0.982 30.408 29.460 -0.057 0.000 1.452 142 W HN 0.137 nan 8.180 nan 0.000 0.572 143 A N 2.324 125.230 122.820 0.143 0.000 2.406 143 A HA 0.512 4.832 4.320 -0.000 0.000 0.243 143 A C -2.232 175.355 177.584 0.005 0.000 1.082 143 A CA -0.719 51.340 52.037 0.037 0.000 0.786 143 A CB -0.762 18.260 19.000 0.036 0.000 1.029 143 A HN 0.150 nan 8.150 nan 0.000 0.495 144 P HA 0.281 nan 4.420 nan 0.000 0.269 144 P C 0.797 177.952 177.300 -0.242 0.000 1.209 144 P CA 1.693 64.607 63.100 -0.310 0.000 0.776 144 P CB 0.507 31.957 31.700 -0.416 0.000 0.876 145 G N 1.594 110.189 108.800 -0.343 0.000 2.198 145 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 145 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 145 G C 0.652 175.503 174.900 -0.082 0.000 1.025 145 G CA 0.731 45.798 45.100 -0.055 0.000 0.769 145 G HN 0.679 nan 8.290 nan 0.000 0.507 146 T N -5.167 109.286 114.554 -0.167 0.000 2.987 146 T HA 0.439 4.789 4.350 -0.000 0.000 0.248 146 T C 0.544 175.081 174.700 -0.272 0.000 0.997 146 T CA 0.773 62.792 62.100 -0.134 0.000 1.013 146 T CB 0.667 69.500 68.868 -0.058 0.000 1.077 146 T HN 0.282 nan 8.240 nan 0.000 0.483 147 Q N 0.948 120.532 119.800 -0.360 0.000 2.331 147 Q HA 0.466 4.806 4.340 -0.000 0.000 0.272 147 Q C -1.386 174.391 176.000 -0.373 0.000 1.062 147 Q CA -0.501 55.006 55.803 -0.494 0.000 0.806 147 Q CB 3.149 31.283 28.738 -1.007 0.000 1.312 147 Q HN 0.378 nan 8.270 nan 0.000 0.431 148 R N 2.273 122.591 120.500 -0.303 0.000 2.229 148 R HA 0.499 4.839 4.340 -0.000 0.000 0.328 148 R C -1.141 175.116 176.300 -0.073 0.000 1.009 148 R CA -0.522 55.489 56.100 -0.147 0.000 0.864 148 R CB 0.410 30.664 30.300 -0.077 0.000 1.085 148 R HN 0.450 nan 8.270 nan 0.000 0.453 149 L N 6.502 127.746 121.223 0.036 0.000 2.427 149 L HA 0.247 4.587 4.340 -0.000 0.000 0.264 149 L C -1.268 175.598 176.870 -0.006 0.000 0.989 149 L CA -0.772 54.103 54.840 0.058 0.000 0.865 149 L CB 0.986 43.156 42.059 0.185 0.000 1.209 149 L HN 0.625 nan 8.230 nan 0.000 0.430 150 Y N 5.214 125.380 120.300 -0.224 0.000 2.805 150 Y HA 0.371 4.921 4.550 -0.000 0.000 0.331 150 Y C -0.226 175.468 175.900 -0.343 0.000 1.241 150 Y CA 0.717 58.438 58.100 -0.632 0.000 1.546 150 Y CB 0.369 38.506 38.460 -0.538 0.000 1.248 150 Y HN 0.840 nan 8.280 nan 0.000 0.559 151 A N 5.920 128.114 122.820 -1.045 0.000 2.465 151 A HA 0.286 4.605 4.320 -0.000 0.000 0.292 151 A C -0.108 177.327 177.584 -0.248 0.000 1.041 151 A CA -0.940 50.736 52.037 -0.602 0.000 0.718 151 A CB 0.834 19.747 19.000 -0.145 0.000 1.266 151 A HN 0.843 nan 8.150 nan 0.000 0.403 152 N N 1.186 119.755 118.700 -0.219 0.000 2.223 152 N HA -0.150 4.589 4.740 -0.000 0.000 0.185 152 N C 2.014 177.619 175.510 0.159 0.000 1.016 152 N CA 1.871 54.983 53.050 0.104 0.000 0.863 152 N CB -0.029 38.575 38.487 0.195 0.000 0.983 152 N HN 0.837 nan 8.380 nan 0.000 0.429 153 S N -0.962 114.819 115.700 0.135 0.000 2.474 153 S HA 0.015 4.485 4.470 -0.000 0.000 0.235 153 S C 2.036 176.827 174.600 0.319 0.000 0.997 153 S CA 0.996 59.356 58.200 0.268 0.000 0.949 153 S CB -0.001 63.374 63.200 0.292 0.000 0.766 153 S HN 0.184 nan 8.310 nan 0.000 0.517 154 S N 1.096 116.934 115.700 0.230 0.000 2.339 154 S HA 0.254 4.724 4.470 -0.000 0.000 0.213 154 S C 1.643 176.382 174.600 0.230 0.000 1.033 154 S CA 0.465 58.801 58.200 0.227 0.000 0.950 154 S CB -0.556 62.793 63.200 0.248 0.000 0.893 154 S HN 0.561 nan 8.310 nan 0.000 0.492 155 I N 1.267 122.000 120.570 0.272 0.000 2.493 155 I HA -0.014 4.156 4.170 -0.000 0.000 0.254 155 I C 2.133 178.383 176.117 0.222 0.000 1.160 155 I CA 1.197 62.644 61.300 0.245 0.000 1.445 155 I CB -0.562 37.602 38.000 0.275 0.000 1.086 155 I HN 0.481 nan 8.210 nan 0.000 0.433 156 G N 0.892 109.790 108.800 0.164 0.000 2.418 156 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 156 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 156 G C 1.540 176.427 174.900 -0.022 0.000 1.158 156 G CA 0.840 45.958 45.100 0.030 0.000 0.771 156 G HN 0.382 nan 8.290 nan 0.000 0.545 157 L N -0.249 121.011 121.223 0.061 0.000 2.093 157 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 157 L C 2.424 179.267 176.870 -0.044 0.000 1.085 157 L CA 1.446 56.255 54.840 -0.051 0.000 0.755 157 L CB -0.702 41.279 42.059 -0.130 0.000 0.904 157 L HN 0.231 nan 8.230 nan 0.000 0.435 158 F N 0.431 120.345 119.950 -0.060 0.000 2.091 158 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 158 F C 2.173 177.931 175.800 -0.069 0.000 1.103 158 F CA 1.904 59.867 58.000 -0.061 0.000 1.228 158 F CB -1.037 37.942 39.000 -0.036 0.000 0.984 158 F HN 0.120 nan 8.300 nan 0.000 0.477 159 G N -0.291 108.420 108.800 -0.147 0.000 2.446 159 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 159 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 159 G C 1.827 176.601 174.900 -0.209 0.000 1.168 159 G CA 1.021 46.012 45.100 -0.182 0.000 0.771 159 G HN 0.670 nan 8.290 nan 0.000 0.551 160 A N 0.456 123.096 122.820 -0.300 0.000 1.902 160 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 160 A C 2.435 179.864 177.584 -0.258 0.000 1.181 160 A CA 1.328 53.207 52.037 -0.264 0.000 0.623 160 A CB -0.354 18.453 19.000 -0.321 0.000 0.818 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 L N -1.051 119.985 121.223 -0.311 0.000 2.179 161 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 161 L C 3.008 179.648 176.870 -0.383 0.000 1.096 161 L CA 0.758 55.421 54.840 -0.295 0.000 0.779 161 L CB -0.593 41.333 42.059 -0.222 0.000 0.922 161 L HN 0.415 nan 8.230 nan 0.000 0.443 162 A N 0.466 122.964 122.820 -0.536 0.000 1.978 162 A HA -0.158 4.161 4.320 -0.000 0.000 0.220 162 A C 2.170 179.562 177.584 -0.321 0.000 1.170 162 A CA 1.981 53.670 52.037 -0.580 0.000 0.636 162 A CB -0.725 17.776 19.000 -0.832 0.000 0.810 162 A HN 0.355 nan 8.150 nan 0.000 0.448 163 V N -3.458 116.327 119.914 -0.214 0.000 3.608 163 V HA 0.132 4.252 4.120 -0.000 0.000 0.269 163 V C 1.888 177.919 176.094 -0.105 0.000 1.245 163 V CA 1.591 63.808 62.300 -0.139 0.000 1.138 163 V CB -0.442 31.324 31.823 -0.095 0.000 0.841 163 V HN 0.291 nan 8.190 nan 0.000 0.451 164 K N 1.825 122.162 120.400 -0.105 0.000 2.032 164 K HA -0.035 4.285 4.320 -0.000 0.000 0.209 164 K C -0.037 176.558 176.600 -0.010 0.000 1.048 164 K CA 2.355 58.610 56.287 -0.052 0.000 0.927 164 K CB -1.536 30.951 32.500 -0.022 0.000 0.712 164 K HN 0.466 nan 8.250 nan 0.000 0.441 165 P HA -0.149 nan 4.420 nan 0.000 0.218 165 P C 1.028 178.326 177.300 -0.003 0.000 1.148 165 P CA 1.609 64.732 63.100 0.038 0.000 0.822 165 P CB -0.062 31.684 31.700 0.077 0.000 0.784 166 S N -1.333 114.348 115.700 -0.031 0.000 2.442 166 S HA -0.019 4.450 4.470 -0.000 0.000 0.236 166 S C 1.940 176.515 174.600 -0.042 0.000 1.007 166 S CA 1.169 59.342 58.200 -0.044 0.000 0.965 166 S CB -1.642 61.515 63.200 -0.071 0.000 0.773 166 S HN 0.302 nan 8.310 nan 0.000 0.504 167 G N 0.682 109.459 108.800 -0.040 0.000 2.189 167 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 167 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 167 G C 0.024 174.895 174.900 -0.048 0.000 0.975 167 G CA 0.635 45.712 45.100 -0.038 0.000 0.644 167 G HN 0.603 nan 8.290 nan 0.000 0.537 168 L N 1.561 122.746 121.223 -0.063 0.000 2.418 168 L HA 0.550 4.890 4.340 -0.000 0.000 0.265 168 L C 1.530 178.358 176.870 -0.071 0.000 1.143 168 L CA -0.210 54.586 54.840 -0.074 0.000 0.809 168 L CB 1.209 43.206 42.059 -0.102 0.000 1.124 168 L HN 0.395 nan 8.230 nan 0.000 0.456 169 S N 0.616 116.279 115.700 -0.062 0.000 2.576 169 S HA -0.001 4.469 4.470 -0.000 0.000 0.272 169 S C 0.867 175.441 174.600 -0.044 0.000 1.352 169 S CA -0.334 57.844 58.200 -0.036 0.000 1.021 169 S CB 0.391 63.576 63.200 -0.025 0.000 0.887 169 S HN 0.548 nan 8.310 nan 0.000 0.542 170 F N 1.265 121.133 119.950 -0.138 0.000 2.095 170 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 170 F C 2.490 178.185 175.800 -0.174 0.000 1.104 170 F CA 2.268 60.172 58.000 -0.161 0.000 1.232 170 F CB -0.420 38.486 39.000 -0.156 0.000 0.987 170 F HN 0.942 nan 8.300 nan 0.000 0.475 171 E N -0.604 119.563 120.200 -0.056 0.000 2.077 171 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 171 E C 2.172 178.623 176.600 -0.247 0.000 0.989 171 E CA 1.229 57.541 56.400 -0.146 0.000 0.800 171 E CB -0.106 29.593 29.700 -0.001 0.000 0.746 171 E HN 0.418 nan 8.360 nan 0.000 0.452 172 Q N -0.130 119.564 119.800 -0.177 0.000 2.119 172 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 172 Q C 2.072 177.922 176.000 -0.250 0.000 0.972 172 Q CA 1.227 56.926 55.803 -0.174 0.000 0.847 172 Q CB -0.237 28.436 28.738 -0.108 0.000 0.903 172 Q HN 0.359 nan 8.270 nan 0.000 0.433 173 A N 0.708 123.348 122.820 -0.300 0.000 1.877 173 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 173 A C 2.146 179.450 177.584 -0.466 0.000 1.186 173 A CA 1.845 53.679 52.037 -0.338 0.000 0.620 173 A CB -0.488 18.305 19.000 -0.345 0.000 0.822 173 A HN 0.333 nan 8.150 nan 0.000 0.443 174 M N -0.113 119.069 119.600 -0.698 0.000 2.117 174 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 174 M C 2.145 177.868 176.300 -0.962 0.000 1.065 174 M CA 1.970 56.719 55.300 -0.920 0.000 1.114 174 M CB -0.599 31.287 32.600 -1.191 0.000 1.361 174 M HN 0.536 nan 8.290 nan 0.000 0.408 175 Q N -1.156 118.218 119.800 -0.710 0.000 2.020 175 Q HA -0.154 4.185 4.340 -0.000 0.000 0.202 175 Q C 1.960 177.791 176.000 -0.281 0.000 0.982 175 Q CA 2.315 57.846 55.803 -0.453 0.000 0.838 175 Q CB -0.463 28.121 28.738 -0.257 0.000 0.899 175 Q HN 0.767 nan 8.270 nan 0.000 0.423 176 T N -1.795 112.613 114.554 -0.243 0.000 2.985 176 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 176 T C 1.693 176.310 174.700 -0.138 0.000 1.076 176 T CA 0.574 62.579 62.100 -0.157 0.000 1.135 176 T CB 0.035 68.826 68.868 -0.129 0.000 0.890 176 T HN 0.137 nan 8.240 nan 0.000 0.480 177 R N -0.133 120.257 120.500 -0.183 0.000 2.254 177 R HA 0.383 4.723 4.340 -0.000 0.000 0.193 177 R C 1.574 177.824 176.300 -0.084 0.000 0.929 177 R CA 0.246 56.271 56.100 -0.127 0.000 1.038 177 R CB 0.445 30.661 30.300 -0.141 0.000 1.009 177 R HN 0.296 nan 8.270 nan 0.000 0.512 178 V N -0.972 118.863 119.914 -0.132 0.000 3.134 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.222 178 V C 1.396 177.572 176.094 0.136 0.000 1.247 178 V CA 0.440 62.747 62.300 0.012 0.000 1.281 178 V CB -0.330 31.484 31.823 -0.015 0.000 1.169 178 V HN -0.028 nan 8.190 nan 0.000 0.512 179 F N 1.537 121.419 119.950 -0.114 0.000 2.102 179 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 179 F C 2.605 178.321 175.800 -0.141 0.000 1.105 179 F CA 1.533 59.428 58.000 -0.175 0.000 1.239 179 F CB -1.192 37.597 39.000 -0.352 0.000 0.991 179 F HN 0.205 nan 8.300 nan 0.000 0.474 180 Q N -0.316 119.511 119.800 0.045 0.000 2.046 180 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 180 Q C -0.324 175.677 176.000 0.002 0.000 0.975 180 Q CA 1.596 57.388 55.803 -0.018 0.000 0.836 180 Q CB -1.431 27.273 28.738 -0.057 0.000 0.896 180 Q HN 0.267 nan 8.270 nan 0.000 0.428 181 P HA -0.153 nan 4.420 nan 0.000 0.218 181 P C 0.625 177.954 177.300 0.049 0.000 1.148 181 P CA 1.213 64.328 63.100 0.024 0.000 0.822 181 P CB 0.054 31.771 31.700 0.028 0.000 0.784 182 L N -1.442 119.835 121.223 0.091 0.000 2.592 182 L HA 0.154 4.494 4.340 -0.000 0.000 0.227 182 L C 0.398 177.316 176.870 0.081 0.000 1.127 182 L CA 0.077 54.987 54.840 0.117 0.000 0.884 182 L CB -0.655 41.544 42.059 0.233 0.000 1.065 182 L HN -0.053 nan 8.230 nan 0.000 0.457 183 K N 0.912 121.333 120.400 0.036 0.000 3.096 183 K HA -0.168 4.152 4.320 -0.000 0.000 0.266 183 K C -0.291 176.296 176.600 -0.022 0.000 1.043 183 K CA 0.378 56.662 56.287 -0.004 0.000 0.758 183 K CB -1.761 30.742 32.500 0.005 0.000 1.260 183 K HN 0.337 nan 8.250 nan 0.000 0.481 184 L N 1.265 122.459 121.223 -0.048 0.000 2.422 184 L HA 0.129 4.469 4.340 -0.000 0.000 0.256 184 L C 0.924 177.612 176.870 -0.303 0.000 1.202 184 L CA -0.507 54.248 54.840 -0.142 0.000 1.119 184 L CB 0.078 42.020 42.059 -0.194 0.000 1.383 184 L HN 0.143 nan 8.230 nan 0.000 0.411 185 N N 0.156 118.702 118.700 -0.258 0.000 2.461 185 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 185 N C 0.621 175.726 175.510 -0.673 0.000 1.134 185 N CA 0.632 53.426 53.050 -0.428 0.000 0.878 185 N CB 0.172 38.434 38.487 -0.376 0.000 0.972 185 N HN 0.480 nan 8.380 nan 0.000 0.456 186 H N -1.058 117.897 119.070 -0.192 0.000 2.651 186 H HA 0.280 4.836 4.556 -0.000 0.000 0.241 186 H C -0.393 174.811 175.328 -0.208 0.000 1.225 186 H CA -0.091 55.915 56.048 -0.070 0.000 0.942 186 H CB 0.361 30.121 29.762 -0.003 0.000 1.996 186 H HN -0.134 nan 8.280 nan 0.000 0.600 187 T N 0.830 115.041 114.554 -0.572 0.000 2.812 187 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 187 T C -0.762 173.238 174.700 -1.166 0.000 0.990 187 T CA -0.437 61.157 62.100 -0.844 0.000 0.960 187 T CB 1.483 69.622 68.868 -1.215 0.000 0.948 187 T HN 0.238 nan 8.240 nan 0.000 0.438 188 W N 1.695 122.669 121.300 -0.543 0.000 3.217 188 W HA 0.534 5.194 4.660 0.000 0.000 0.323 188 W C 0.496 176.888 176.519 -0.212 0.000 1.216 188 W CA -0.821 56.354 57.345 -0.283 0.000 1.194 188 W CB 1.137 30.440 29.460 -0.262 0.000 1.397 188 W HN 0.486 nan 8.180 nan 0.000 0.537 189 I N 1.254 121.949 120.570 0.209 0.000 2.429 189 I HA -0.030 4.140 4.170 -0.000 0.000 0.247 189 I C 0.493 176.635 176.117 0.041 0.000 1.099 189 I CA 0.705 62.059 61.300 0.091 0.000 1.422 189 I CB -0.095 37.972 38.000 0.112 0.000 1.112 189 I HN 0.267 nan 8.210 nan 0.000 0.430 190 N N 1.862 120.620 118.700 0.096 0.000 2.457 190 N HA 0.226 4.966 4.740 -0.000 0.000 0.250 190 N C -0.787 174.628 175.510 -0.158 0.000 0.982 190 N CA -0.136 52.898 53.050 -0.027 0.000 0.941 190 N CB 2.243 40.722 38.487 -0.013 0.000 1.120 190 N HN -0.152 nan 8.380 nan 0.000 0.505 191 V N 5.230 124.961 119.914 -0.304 0.000 2.479 191 V HA 0.112 4.232 4.120 -0.000 0.000 0.281 191 V C -1.427 174.327 176.094 -0.567 0.000 1.031 191 V CA -0.886 61.082 62.300 -0.552 0.000 1.038 191 V CB 0.290 31.757 31.823 -0.594 0.000 0.981 191 V HN 0.509 nan 8.190 nan 0.000 0.478 192 P HA 0.283 nan 4.420 nan 0.000 0.276 192 P C -2.332 174.744 177.300 -0.373 0.000 1.252 192 P CA -1.873 60.864 63.100 -0.606 0.000 0.802 192 P CB 0.573 31.784 31.700 -0.815 0.000 1.035 193 P HA -0.179 nan 4.420 nan 0.000 0.216 193 P C 1.479 178.704 177.300 -0.125 0.000 1.150 193 P CA 2.163 65.177 63.100 -0.142 0.000 0.843 193 P CB -0.470 31.171 31.700 -0.099 0.000 0.787 194 A N -0.226 122.508 122.820 -0.143 0.000 2.070 194 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 194 A C 2.001 179.535 177.584 -0.084 0.000 1.159 194 A CA 1.465 53.446 52.037 -0.092 0.000 0.656 194 A CB -0.773 18.182 19.000 -0.075 0.000 0.800 194 A HN 0.126 nan 8.150 nan 0.000 0.453 195 E N -0.434 119.671 120.200 -0.158 0.000 2.472 195 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 195 E C 1.433 177.987 176.600 -0.077 0.000 1.033 195 E CA 0.193 56.519 56.400 -0.122 0.000 0.886 195 E CB -0.066 29.496 29.700 -0.230 0.000 0.944 195 E HN 0.752 nan 8.360 nan 0.000 0.492 196 E N 1.426 121.585 120.200 -0.067 0.000 2.130 196 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 196 E C 1.987 178.606 176.600 0.032 0.000 0.998 196 E CA 1.388 57.790 56.400 0.003 0.000 0.806 196 E CB -0.155 29.543 29.700 -0.002 0.000 0.738 196 E HN 0.246 nan 8.360 nan 0.000 0.459 197 K N 0.367 120.780 120.400 0.022 0.000 2.360 197 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 197 K C 1.154 177.779 176.600 0.040 0.000 1.046 197 K CA 1.165 57.474 56.287 0.038 0.000 0.945 197 K CB 0.076 32.594 32.500 0.029 0.000 0.750 197 K HN 0.003 nan 8.250 nan 0.000 0.464 198 N N -0.141 118.578 118.700 0.032 0.000 2.236 198 N HA -0.050 4.690 4.740 -0.000 0.000 0.196 198 N C -0.729 174.812 175.510 0.052 0.000 1.114 198 N CA -0.014 53.052 53.050 0.026 0.000 0.859 198 N CB 0.218 38.705 38.487 0.000 0.000 0.982 198 N HN 0.170 nan 8.380 nan 0.000 0.493 199 Y N 3.146 123.367 120.300 -0.130 0.000 2.504 199 Y HA 0.439 4.989 4.550 -0.000 0.000 0.351 199 Y C 0.164 175.967 175.900 -0.162 0.000 0.988 199 Y CA -1.850 56.132 58.100 -0.196 0.000 1.239 199 Y CB -0.519 37.758 38.460 -0.305 0.000 1.128 199 Y HN -0.032 nan 8.280 nan 0.000 0.525 200 A N 6.092 128.956 122.820 0.074 0.000 2.555 200 A HA 0.041 4.361 4.320 -0.000 0.000 0.233 200 A C -0.431 177.158 177.584 0.009 0.000 1.060 200 A CA -0.202 51.850 52.037 0.025 0.000 0.759 200 A CB 0.001 18.949 19.000 -0.088 0.000 0.995 200 A HN 0.871 nan 8.150 nan 0.000 0.506 201 W N 0.934 122.228 121.300 -0.011 0.000 2.218 201 W HA 0.464 5.124 4.660 -0.000 0.000 0.326 201 W C 0.972 177.190 176.519 -0.502 0.000 1.276 201 W CA 0.687 57.814 57.345 -0.364 0.000 1.210 201 W CB 0.922 30.026 29.460 -0.593 0.000 1.143 201 W HN 0.941 nan 8.180 nan 0.000 0.563 202 G N 1.432 109.999 108.800 -0.388 0.000 2.476 202 G HA2 0.466 4.426 3.960 -0.000 0.000 0.286 202 G HA3 0.466 4.426 3.960 -0.000 0.000 0.286 202 G C -2.093 172.383 174.900 -0.707 0.000 1.177 202 G CA -0.498 44.111 45.100 -0.819 0.000 0.870 202 G HN 0.424 nan 8.290 nan 0.000 0.528 203 Y N -0.191 120.015 120.300 -0.156 0.000 2.326 203 Y HA 0.521 5.071 4.550 -0.000 0.000 0.329 203 Y C 0.450 176.340 175.900 -0.017 0.000 0.973 203 Y CA -0.786 57.283 58.100 -0.052 0.000 1.162 203 Y CB 2.142 40.581 38.460 -0.034 0.000 1.147 203 Y HN 0.469 nan 8.280 nan 0.000 0.456 204 R N 2.791 123.348 120.500 0.094 0.000 2.451 204 R HA 0.304 4.644 4.340 -0.000 0.000 0.307 204 R C -0.581 175.763 176.300 0.073 0.000 0.965 204 R CA -0.364 55.784 56.100 0.080 0.000 0.865 204 R CB 0.686 31.021 30.300 0.059 0.000 1.174 204 R HN 0.921 nan 8.270 nan 0.000 0.455 205 E N 2.615 122.857 120.200 0.071 0.000 2.440 205 E HA -0.266 4.084 4.350 -0.000 0.000 0.246 205 E C 0.553 177.188 176.600 0.057 0.000 1.165 205 E CA 0.792 57.224 56.400 0.053 0.000 0.726 205 E CB -1.061 28.661 29.700 0.037 0.000 1.271 205 E HN 1.187 nan 8.360 nan 0.000 0.397 206 G N -0.145 108.710 108.800 0.091 0.000 2.184 206 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 206 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 206 G C 0.181 175.173 174.900 0.154 0.000 0.975 206 G CA 0.880 46.042 45.100 0.104 0.000 0.642 206 G HN 0.275 nan 8.290 nan 0.000 0.536 207 K N 0.784 121.248 120.400 0.108 0.000 2.183 207 K HA 0.670 4.990 4.320 -0.000 0.000 0.274 207 K C 0.506 177.064 176.600 -0.070 0.000 1.009 207 K CA -0.009 56.293 56.287 0.025 0.000 0.888 207 K CB 1.712 34.200 32.500 -0.020 0.000 1.078 207 K HN 0.453 nan 8.250 nan 0.000 0.459 208 A N 2.643 125.317 122.820 -0.244 0.000 2.451 208 A HA 0.329 4.649 4.320 -0.000 0.000 0.266 208 A C 0.041 177.419 177.584 -0.343 0.000 1.119 208 A CA -0.386 51.283 52.037 -0.614 0.000 0.786 208 A CB -0.278 18.189 19.000 -0.888 0.000 1.061 208 A HN 0.537 nan 8.150 nan 0.000 0.503 209 V N 1.144 120.970 119.914 -0.147 0.000 2.925 209 V HA 0.706 4.826 4.120 -0.000 0.000 0.311 209 V C -0.661 175.548 176.094 0.192 0.000 1.104 209 V CA -0.818 61.528 62.300 0.077 0.000 0.954 209 V CB 1.358 33.218 31.823 0.061 0.000 1.022 209 V HN 0.938 nan 8.190 nan 0.000 0.427 210 H N 1.178 120.390 119.070 0.238 0.000 2.747 210 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 210 H C 0.343 175.764 175.328 0.156 0.000 1.161 210 H CA -0.401 55.710 56.048 0.105 0.000 1.167 210 H CB 2.152 31.817 29.762 -0.162 0.000 1.732 210 H HN 1.212 nan 8.280 nan 0.000 0.544 211 A N 1.723 124.733 122.820 0.316 0.000 2.507 211 A HA 0.419 4.739 4.320 -0.000 0.000 0.235 211 A C 0.420 178.112 177.584 0.179 0.000 1.070 211 A CA 0.092 52.268 52.037 0.231 0.000 0.768 211 A CB -0.173 18.955 19.000 0.213 0.000 1.011 211 A HN 0.792 nan 8.150 nan 0.000 0.502 212 A N 1.155 124.066 122.820 0.151 0.000 2.520 212 A HA 0.491 4.811 4.320 -0.000 0.000 0.235 212 A C 1.023 178.652 177.584 0.075 0.000 1.065 212 A CA 0.221 52.322 52.037 0.108 0.000 0.764 212 A CB -0.498 18.558 19.000 0.094 0.000 1.002 212 A HN 2.367 nan 8.150 nan 0.000 0.502 213 A N 1.554 124.405 122.820 0.052 0.000 2.565 213 A HA 0.414 4.734 4.320 -0.000 0.000 0.237 213 A C 0.762 178.347 177.584 0.002 0.000 1.053 213 A CA 0.308 52.356 52.037 0.019 0.000 0.755 213 A CB -0.813 18.195 19.000 0.013 0.000 0.980 213 A HN 2.154 nan 8.150 nan 0.000 0.506 214 V N 1.859 121.759 119.914 -0.023 0.000 2.999 214 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 214 V C 0.369 176.436 176.094 -0.046 0.000 1.084 214 V CA 0.224 62.490 62.300 -0.056 0.000 1.155 214 V CB 0.554 32.328 31.823 -0.081 0.000 0.975 214 V HN 1.583 nan 8.190 nan 0.000 0.490 215 S N 2.256 117.919 115.700 -0.063 0.000 2.541 215 S HA 0.638 5.108 4.470 -0.000 0.000 0.271 215 S C -1.867 172.694 174.600 -0.065 0.000 1.133 215 S CA -0.927 57.244 58.200 -0.047 0.000 0.876 215 S CB 1.983 65.167 63.200 -0.026 0.000 1.105 215 S HN 0.583 nan 8.310 nan 0.000 0.470 216 P HA 0.008 nan 4.420 nan 0.000 0.216 216 P C 1.556 178.829 177.300 -0.046 0.000 1.150 216 P CA 1.819 64.881 63.100 -0.064 0.000 0.837 216 P CB -0.558 31.113 31.700 -0.048 0.000 0.786 217 G N -0.228 108.557 108.800 -0.025 0.000 2.559 217 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.216 217 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.216 217 G C 1.530 176.413 174.900 -0.028 0.000 1.126 217 G CA 0.722 45.817 45.100 -0.009 0.000 0.778 217 G HN 0.408 nan 8.290 nan 0.000 0.543 218 A N -0.191 122.604 122.820 -0.043 0.000 2.169 218 A HA 0.495 4.815 4.320 -0.000 0.000 0.210 218 A C 1.472 179.016 177.584 -0.067 0.000 1.168 218 A CA 0.088 52.099 52.037 -0.043 0.000 0.813 218 A CB -0.035 18.945 19.000 -0.034 0.000 0.861 218 A HN 0.497 nan 8.150 nan 0.000 0.481 219 L N 0.353 121.514 121.223 -0.102 0.000 3.781 219 L HA -0.300 4.040 4.340 -0.000 0.000 0.426 219 L C 0.826 177.529 176.870 -0.278 0.000 1.197 219 L CA 0.536 55.280 54.840 -0.160 0.000 0.907 219 L CB -1.460 40.565 42.059 -0.058 0.000 1.812 219 L HN 0.713 nan 8.230 nan 0.000 0.956 220 D N -0.784 119.396 120.400 -0.368 0.000 2.213 220 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 220 D C 1.939 177.887 176.300 -0.588 0.000 0.961 220 D CA 0.926 54.475 54.000 -0.752 0.000 0.853 220 D CB -0.010 40.303 40.800 -0.812 0.000 0.967 220 D HN 0.388 nan 8.370 nan 0.000 0.496 221 A N 0.954 123.561 122.820 -0.355 0.000 1.908 221 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 221 A C 2.052 179.448 177.584 -0.313 0.000 1.181 221 A CA 1.836 53.738 52.037 -0.224 0.000 0.627 221 A CB -0.601 18.334 19.000 -0.109 0.000 0.818 221 A HN 0.179 nan 8.150 nan 0.000 0.445 222 E N -0.584 119.249 120.200 -0.611 0.000 2.216 222 E HA 0.164 4.514 4.350 -0.000 0.000 0.192 222 E C 1.949 178.402 176.600 -0.245 0.000 0.988 222 E CA 1.159 57.074 56.400 -0.808 0.000 0.834 222 E CB -0.192 28.997 29.700 -0.851 0.000 0.772 222 E HN 0.599 nan 8.360 nan 0.000 0.479 223 A N -0.401 122.315 122.820 -0.175 0.000 2.013 223 A HA 0.109 4.429 4.320 -0.000 0.000 0.204 223 A C 0.782 178.493 177.584 0.212 0.000 1.262 223 A CA 0.551 52.637 52.037 0.082 0.000 0.800 223 A CB 0.041 19.166 19.000 0.209 0.000 0.909 223 A HN 0.386 nan 8.150 nan 0.000 0.472 224 Y N -3.987 116.352 120.300 0.064 0.000 2.979 224 Y HA 0.498 5.048 4.550 -0.000 0.000 0.251 224 Y C 0.742 176.670 175.900 0.047 0.000 1.092 224 Y CA -0.392 57.753 58.100 0.076 0.000 1.206 224 Y CB -0.336 38.180 38.460 0.092 0.000 1.254 224 Y HN 0.005 nan 8.280 nan 0.000 0.625 225 G N 0.689 109.457 108.800 -0.054 0.000 3.393 225 G HA2 0.378 4.338 3.960 -0.000 0.000 0.255 225 G HA3 0.378 4.338 3.960 -0.000 0.000 0.255 225 G C -0.339 174.539 174.900 -0.037 0.000 1.097 225 G CA -0.001 45.060 45.100 -0.065 0.000 0.780 225 G HN 0.120 nan 8.290 nan 0.000 0.540 226 V N 0.698 120.593 119.914 -0.030 0.000 2.546 226 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 226 V C -0.266 175.729 176.094 -0.166 0.000 1.050 226 V CA -0.424 61.801 62.300 -0.126 0.000 0.981 226 V CB 1.421 33.090 31.823 -0.257 0.000 0.990 226 V HN 0.122 nan 8.190 nan 0.000 0.474 227 K N 2.510 122.769 120.400 -0.235 0.000 2.270 227 K HA 0.799 5.119 4.320 -0.000 0.000 0.255 227 K C -0.475 175.979 176.600 -0.243 0.000 0.936 227 K CA -0.184 55.947 56.287 -0.259 0.000 0.809 227 K CB 1.954 34.199 32.500 -0.425 0.000 1.131 227 K HN 0.710 nan 8.250 nan 0.000 0.427 228 S N 0.109 115.736 115.700 -0.121 0.000 2.615 228 S HA 0.616 5.086 4.470 -0.000 0.000 0.269 228 S C -1.213 173.451 174.600 0.107 0.000 1.161 228 S CA -0.717 57.433 58.200 -0.083 0.000 0.817 228 S CB 0.920 64.028 63.200 -0.153 0.000 1.131 228 S HN 0.688 nan 8.310 nan 0.000 0.467 229 T N 0.170 114.790 114.554 0.111 0.000 2.936 229 T HA 0.537 4.887 4.350 -0.000 0.000 0.282 229 T C 1.262 176.083 174.700 0.203 0.000 1.003 229 T CA -0.551 61.666 62.100 0.195 0.000 1.005 229 T CB 0.807 69.733 68.868 0.096 0.000 1.097 229 T HN 0.425 nan 8.240 nan 0.000 0.532 230 I N 0.607 121.315 120.570 0.230 0.000 2.361 230 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 230 I C 2.510 178.778 176.117 0.252 0.000 1.133 230 I CA 1.534 62.977 61.300 0.238 0.000 1.413 230 I CB -0.548 37.620 38.000 0.279 0.000 1.073 230 I HN 0.973 nan 8.210 nan 0.000 0.424 231 E N -0.019 120.222 120.200 0.068 0.000 2.072 231 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 231 E C 1.626 178.323 176.600 0.162 0.000 0.985 231 E CA 1.559 57.984 56.400 0.041 0.000 0.801 231 E CB -0.067 29.541 29.700 -0.154 0.000 0.750 231 E HN 0.441 nan 8.360 nan 0.000 0.452 232 D N -0.056 120.420 120.400 0.127 0.000 2.144 232 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 232 D C 1.850 178.280 176.300 0.217 0.000 0.978 232 D CA 0.884 54.960 54.000 0.127 0.000 0.833 232 D CB -0.043 40.775 40.800 0.029 0.000 0.961 232 D HN 0.238 nan 8.370 nan 0.000 0.470 233 M N 0.357 120.101 119.600 0.240 0.000 2.229 233 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 233 M C 2.192 178.681 176.300 0.315 0.000 1.063 233 M CA 0.595 56.091 55.300 0.328 0.000 1.114 233 M CB -1.023 31.751 32.600 0.290 0.000 1.387 233 M HN -0.029 nan 8.290 nan 0.000 0.420 234 A N -0.082 122.903 122.820 0.274 0.000 1.902 234 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 234 A C 2.387 180.052 177.584 0.134 0.000 1.181 234 A CA 1.809 53.963 52.037 0.195 0.000 0.623 234 A CB -0.688 18.454 19.000 0.236 0.000 0.818 234 A HN 0.453 nan 8.150 nan 0.000 0.443 235 R N -1.382 119.224 120.500 0.177 0.000 2.096 235 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 235 R C 2.136 178.539 176.300 0.171 0.000 1.127 235 R CA 1.475 57.658 56.100 0.138 0.000 0.968 235 R CB -0.353 30.035 30.300 0.147 0.000 0.861 235 R HN 0.840 nan 8.270 nan 0.000 0.440 236 W N 0.425 121.751 121.300 0.043 0.000 2.355 236 W HA -0.203 4.457 4.660 0.000 0.000 0.309 236 W C 1.433 177.896 176.519 -0.093 0.000 1.206 236 W CA 1.244 58.602 57.345 0.022 0.000 1.284 236 W CB -0.082 29.440 29.460 0.102 0.000 1.145 236 W HN -0.038 nan 8.180 nan 0.000 0.502 237 V N 1.399 121.252 119.914 -0.101 0.000 2.295 237 V HA -0.353 3.767 4.120 -0.000 0.000 0.246 237 V C 2.391 178.160 176.094 -0.541 0.000 1.049 237 V CA 2.334 64.375 62.300 -0.433 0.000 1.024 237 V CB -1.106 30.587 31.823 -0.218 0.000 0.648 237 V HN 0.245 nan 8.190 nan 0.000 0.447 238 Q N -0.149 119.479 119.800 -0.288 0.000 2.096 238 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 238 Q C 2.468 178.285 176.000 -0.306 0.000 0.982 238 Q CA 2.039 57.686 55.803 -0.261 0.000 0.850 238 Q CB -0.300 28.356 28.738 -0.136 0.000 0.901 238 Q HN 0.612 nan 8.270 nan 0.000 0.422 239 S N 0.768 116.298 115.700 -0.283 0.000 2.383 239 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 239 S C 1.508 175.849 174.600 -0.432 0.000 1.026 239 S CA 0.917 58.954 58.200 -0.271 0.000 0.981 239 S CB -0.150 62.962 63.200 -0.147 0.000 0.818 239 S HN 0.378 nan 8.310 nan 0.000 0.472 240 N N 1.056 119.328 118.700 -0.712 0.000 2.376 240 N HA 0.145 4.885 4.740 -0.000 0.000 0.177 240 N C 1.581 176.594 175.510 -0.828 0.000 1.024 240 N CA 0.459 52.999 53.050 -0.849 0.000 0.893 240 N CB -0.116 37.642 38.487 -1.216 0.000 0.980 240 N HN 0.325 nan 8.380 nan 0.000 0.439 241 L N 0.571 121.280 121.223 -0.856 0.000 2.093 241 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 241 L C 0.774 177.464 176.870 -0.301 0.000 1.085 241 L CA 1.167 55.687 54.840 -0.535 0.000 0.755 241 L CB 0.093 41.880 42.059 -0.452 0.000 0.904 241 L HN -0.069 nan 8.230 nan 0.000 0.435 242 K N -0.614 119.619 120.400 -0.279 0.000 3.029 242 K HA 0.200 4.520 4.320 -0.000 0.000 0.169 242 K C -1.922 174.584 176.600 -0.157 0.000 1.090 242 K CA -1.081 55.096 56.287 -0.183 0.000 0.883 242 K CB 1.288 33.696 32.500 -0.154 0.000 1.080 242 K HN -0.104 nan 8.250 nan 0.000 0.613 243 P HA -0.134 nan 4.420 nan 0.000 0.225 243 P C 1.029 178.283 177.300 -0.077 0.000 1.148 243 P CA 0.824 63.854 63.100 -0.116 0.000 0.779 243 P CB 0.272 31.910 31.700 -0.104 0.000 0.780 244 L N -0.469 120.709 121.223 -0.074 0.000 2.376 244 L HA -0.061 4.279 4.340 -0.000 0.000 0.219 244 L C 1.696 178.536 176.870 -0.050 0.000 1.133 244 L CA 1.002 55.809 54.840 -0.055 0.000 0.816 244 L CB -0.834 41.193 42.059 -0.053 0.000 0.933 244 L HN -0.115 nan 8.230 nan 0.000 0.449 245 D N 0.233 120.598 120.400 -0.059 0.000 2.347 245 D HA 0.081 4.721 4.640 -0.000 0.000 0.215 245 D C 0.746 177.023 176.300 -0.039 0.000 0.976 245 D CA 0.644 54.614 54.000 -0.050 0.000 0.884 245 D CB 0.099 40.863 40.800 -0.060 0.000 0.915 245 D HN 0.234 nan 8.370 nan 0.000 0.526 246 I N 1.567 122.115 120.570 -0.037 0.000 2.396 246 I HA 0.018 4.188 4.170 -0.000 0.000 0.289 246 I C 1.288 177.395 176.117 -0.015 0.000 1.056 246 I CA -0.381 60.907 61.300 -0.021 0.000 1.365 246 I CB 0.987 38.977 38.000 -0.017 0.000 1.407 246 I HN -0.208 nan 8.210 nan 0.000 0.509 247 N N 4.001 122.695 118.700 -0.010 0.000 2.270 247 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 247 N C 0.127 175.633 175.510 -0.006 0.000 1.016 247 N CA 0.857 53.901 53.050 -0.009 0.000 0.870 247 N CB -0.014 38.468 38.487 -0.009 0.000 0.979 247 N HN 0.554 nan 8.380 nan 0.000 0.431 248 E N 1.125 121.324 120.200 -0.002 0.000 2.166 248 E HA 0.096 4.446 4.350 -0.000 0.000 0.279 248 E C 0.742 177.343 176.600 0.001 0.000 1.095 248 E CA 0.046 56.446 56.400 -0.001 0.000 0.888 248 E CB 0.842 30.544 29.700 0.003 0.000 1.041 248 E HN 0.119 nan 8.360 nan 0.000 0.414 249 K N 1.234 121.632 120.400 -0.002 0.000 2.057 249 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 249 K C 1.924 178.527 176.600 0.004 0.000 1.049 249 K CA 1.773 58.059 56.287 -0.002 0.000 0.931 249 K CB -0.075 32.423 32.500 -0.003 0.000 0.714 249 K HN 0.599 nan 8.250 nan 0.000 0.440 250 T N 0.032 114.589 114.554 0.005 0.000 2.867 250 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 250 T C 1.828 176.541 174.700 0.021 0.000 1.057 250 T CA 0.734 62.841 62.100 0.012 0.000 1.136 250 T CB -0.155 68.717 68.868 0.006 0.000 0.874 250 T HN 0.040 nan 8.240 nan 0.000 0.466 251 L N 1.071 122.307 121.223 0.022 0.000 2.072 251 L HA 0.141 4.481 4.340 -0.000 0.000 0.205 251 L C 2.797 179.687 176.870 0.034 0.000 1.079 251 L CA 1.704 56.568 54.840 0.039 0.000 0.752 251 L CB -1.029 41.058 42.059 0.045 0.000 0.906 251 L HN 0.364 nan 8.230 nan 0.000 0.436 252 Q N -0.735 119.073 119.800 0.013 0.000 2.045 252 Q HA -0.317 4.023 4.340 -0.000 0.000 0.206 252 Q C 2.189 178.191 176.000 0.003 0.000 0.991 252 Q CA 2.540 58.341 55.803 -0.004 0.000 0.851 252 Q CB -0.152 28.579 28.738 -0.011 0.000 0.911 252 Q HN 0.662 nan 8.270 nan 0.000 0.418 253 Q N -0.696 119.112 119.800 0.013 0.000 2.084 253 Q HA -0.106 4.233 4.340 -0.000 0.000 0.202 253 Q C 2.081 178.108 176.000 0.045 0.000 0.978 253 Q CA 1.294 57.110 55.803 0.022 0.000 0.844 253 Q CB -0.355 28.397 28.738 0.023 0.000 0.898 253 Q HN 0.592 nan 8.270 nan 0.000 0.426 254 G N 0.990 109.825 108.800 0.058 0.000 2.469 254 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 254 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 254 G C 1.397 176.364 174.900 0.112 0.000 1.150 254 G CA 0.918 46.073 45.100 0.092 0.000 0.763 254 G HN 0.250 nan 8.290 nan 0.000 0.561 255 I N 0.304 120.920 120.570 0.077 0.000 2.163 255 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 255 I C 3.084 179.229 176.117 0.047 0.000 1.085 255 I CA 1.426 62.755 61.300 0.050 0.000 1.347 255 I CB -0.289 37.682 38.000 -0.048 0.000 1.044 255 I HN 0.248 nan 8.210 nan 0.000 0.408 256 Q N 0.375 120.188 119.800 0.022 0.000 2.084 256 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 256 Q C 2.365 178.396 176.000 0.051 0.000 0.978 256 Q CA 1.413 57.222 55.803 0.011 0.000 0.844 256 Q CB -0.196 28.537 28.738 -0.007 0.000 0.898 256 Q HN 0.526 nan 8.270 nan 0.000 0.426 257 L N 0.051 121.329 121.223 0.091 0.000 2.131 257 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 257 L C 2.402 179.422 176.870 0.250 0.000 1.092 257 L CA 0.817 55.749 54.840 0.153 0.000 0.759 257 L CB -0.523 41.635 42.059 0.166 0.000 0.903 257 L HN 0.206 nan 8.230 nan 0.000 0.435 258 A N -0.805 122.161 122.820 0.245 0.000 2.066 258 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 258 A C 2.075 179.880 177.584 0.368 0.000 1.157 258 A CA 1.054 53.291 52.037 0.334 0.000 0.670 258 A CB -0.227 19.002 19.000 0.383 0.000 0.804 258 A HN 0.478 nan 8.150 nan 0.000 0.453 259 Q N 0.028 119.960 119.800 0.219 0.000 2.319 259 Q HA 0.180 4.520 4.340 -0.000 0.000 0.202 259 Q C -0.109 175.909 176.000 0.029 0.000 0.896 259 Q CA -0.320 55.550 55.803 0.111 0.000 0.942 259 Q CB 0.370 29.098 28.738 -0.017 0.000 1.083 259 Q HN 0.501 nan 8.270 nan 0.000 0.510 260 S N 0.992 116.695 115.700 0.004 0.000 2.579 260 S HA 0.181 4.650 4.470 -0.000 0.000 0.275 260 S C 0.062 174.462 174.600 -0.332 0.000 1.345 260 S CA -0.045 58.002 58.200 -0.255 0.000 1.031 260 S CB 0.530 63.444 63.200 -0.478 0.000 0.892 260 S HN 0.235 nan 8.310 nan 0.000 0.529 261 R N 1.622 121.894 120.500 -0.379 0.000 2.204 261 R HA 0.242 4.582 4.340 -0.000 0.000 0.341 261 R C -0.363 175.758 176.300 -0.298 0.000 1.035 261 R CA -0.148 55.839 56.100 -0.189 0.000 0.887 261 R CB 0.395 30.573 30.300 -0.203 0.000 1.114 261 R HN 0.691 nan 8.270 nan 0.000 0.473 262 Y N 0.634 120.934 120.300 0.000 0.000 2.436 262 Y HA 0.131 4.681 4.550 -0.000 0.000 0.288 262 Y C 0.136 175.734 175.900 -0.504 0.000 1.112 262 Y CA 0.338 58.272 58.100 -0.277 0.000 1.220 262 Y CB 0.548 38.841 38.460 -0.278 0.000 1.073 262 Y HN 0.457 nan 8.280 nan 0.000 0.552 263 W N -0.291 121.175 121.300 0.277 0.000 3.217 263 W HA 0.526 5.186 4.660 0.000 0.000 0.323 263 W C -0.922 175.708 176.519 0.186 0.000 1.216 263 W CA -0.984 56.480 57.345 0.199 0.000 1.194 263 W CB 1.127 30.687 29.460 0.166 0.000 1.397 263 W HN -0.460 nan 8.180 nan 0.000 0.537 264 Q N 1.362 121.365 119.800 0.338 0.000 2.337 264 Q HA 0.642 4.982 4.340 -0.000 0.000 0.266 264 Q C -1.173 174.844 176.000 0.029 0.000 1.023 264 Q CA -0.420 55.409 55.803 0.044 0.000 0.829 264 Q CB 2.309 31.006 28.738 -0.069 0.000 1.306 264 Q HN 0.429 nan 8.270 nan 0.000 0.449 265 T N 2.788 117.306 114.554 -0.061 0.000 2.906 265 T HA 0.580 4.930 4.350 -0.000 0.000 0.302 265 T C 0.377 175.017 174.700 -0.099 0.000 1.002 265 T CA 0.710 62.779 62.100 -0.051 0.000 0.988 265 T CB 0.603 69.459 68.868 -0.020 0.000 0.972 265 T HN 0.988 nan 8.240 nan 0.000 0.447 266 G N 5.499 114.243 108.800 -0.093 0.000 2.629 266 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.313 266 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.313 266 G C 0.492 175.298 174.900 -0.157 0.000 1.217 266 G CA 0.897 45.938 45.100 -0.097 0.000 0.994 266 G HN 0.922 nan 8.290 nan 0.000 0.549 267 D N 0.159 120.478 120.400 -0.134 0.000 2.340 267 D HA 0.274 4.913 4.640 -0.000 0.000 0.217 267 D C 1.126 177.316 176.300 -0.184 0.000 1.081 267 D CA 0.414 54.327 54.000 -0.144 0.000 0.842 267 D CB 0.099 40.857 40.800 -0.070 0.000 0.934 267 D HN 0.498 nan 8.370 nan 0.000 0.511 268 M N 0.709 120.181 119.600 -0.213 0.000 2.508 268 M HA 0.407 4.887 4.480 -0.000 0.000 0.327 268 M C -1.736 174.412 176.300 -0.254 0.000 1.160 268 M CA -0.626 54.617 55.300 -0.095 0.000 0.980 268 M CB 1.832 34.478 32.600 0.076 0.000 1.693 268 M HN -0.169 nan 8.290 nan 0.000 0.452 269 Y N 1.485 121.890 120.300 0.175 0.000 2.409 269 Y HA 0.400 4.950 4.550 -0.000 0.000 0.343 269 Y C -0.316 175.736 175.900 0.252 0.000 0.973 269 Y CA -0.731 57.485 58.100 0.194 0.000 1.064 269 Y CB 1.620 40.163 38.460 0.137 0.000 1.207 269 Y HN 0.565 nan 8.280 nan 0.000 0.452 270 Q N 1.865 121.937 119.800 0.453 0.000 2.303 270 Q HA 0.571 4.911 4.340 -0.000 0.000 0.257 270 Q C -0.023 176.261 176.000 0.474 0.000 0.941 270 Q CA -0.222 55.843 55.803 0.435 0.000 0.931 270 Q CB 1.224 30.228 28.738 0.444 0.000 1.215 270 Q HN 0.897 nan 8.270 nan 0.000 0.437 271 G N 2.761 111.809 108.800 0.414 0.000 2.736 271 G HA2 0.484 4.444 3.960 -0.000 0.000 0.229 271 G HA3 0.484 4.444 3.960 -0.000 0.000 0.229 271 G C -0.918 174.147 174.900 0.276 0.000 1.380 271 G CA -0.835 44.537 45.100 0.454 0.000 1.040 271 G HN 0.599 nan 8.290 nan 0.000 0.568 272 L N 1.121 122.485 121.223 0.235 0.000 2.270 272 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 272 L C 1.400 178.318 176.870 0.080 0.000 1.059 272 L CA 0.389 55.243 54.840 0.024 0.000 0.839 272 L CB 0.453 42.513 42.059 0.001 0.000 1.221 272 L HN 1.033 nan 8.230 nan 0.000 0.431 273 G N 2.095 110.907 108.800 0.019 0.000 4.039 273 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 273 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 273 G C 0.057 174.978 174.900 0.035 0.000 1.391 273 G CA -0.113 44.989 45.100 0.003 0.000 0.920 273 G HN 0.531 nan 8.290 nan 0.000 0.599 274 W N 2.506 123.914 121.300 0.180 0.000 2.209 274 W HA 0.527 5.187 4.660 -0.000 0.000 0.344 274 W C 0.895 177.532 176.519 0.197 0.000 1.285 274 W CA -0.070 57.375 57.345 0.166 0.000 1.267 274 W CB 0.336 29.873 29.460 0.129 0.000 1.167 274 W HN 0.361 nan 8.180 nan 0.000 0.574 275 E N 1.642 122.162 120.200 0.534 0.000 2.227 275 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 275 E C -0.808 176.075 176.600 0.472 0.000 0.907 275 E CA -1.158 55.526 56.400 0.473 0.000 0.786 275 E CB 1.732 31.697 29.700 0.441 0.000 1.191 275 E HN 0.191 nan 8.360 nan 0.000 0.411 276 M N 1.836 121.671 119.600 0.392 0.000 2.550 276 M HA 0.473 4.953 4.480 -0.000 0.000 0.292 276 M C -1.601 174.921 176.300 0.369 0.000 1.221 276 M CA -0.350 55.124 55.300 0.290 0.000 0.873 276 M CB 1.838 34.545 32.600 0.179 0.000 1.727 276 M HN 0.305 nan 8.290 nan 0.000 0.459 277 L N 0.454 121.862 121.223 0.308 0.000 2.393 277 L HA 0.550 4.890 4.340 -0.000 0.000 0.260 277 L C -0.856 176.183 176.870 0.281 0.000 1.002 277 L CA -0.748 54.284 54.840 0.320 0.000 0.818 277 L CB 1.922 44.087 42.059 0.177 0.000 1.369 277 L HN 0.544 nan 8.230 nan 0.000 0.412 278 D N 0.908 121.466 120.400 0.263 0.000 2.455 278 D HA -0.044 4.596 4.640 -0.000 0.000 0.241 278 D C -0.860 175.577 176.300 0.228 0.000 1.138 278 D CA 0.256 54.371 54.000 0.192 0.000 0.877 278 D CB 1.062 41.947 40.800 0.141 0.000 1.187 278 D HN 0.350 nan 8.370 nan 0.000 0.451 279 W N 4.556 125.909 121.300 0.088 0.000 2.417 279 W HA 0.265 4.925 4.660 -0.000 0.000 0.317 279 W C -2.244 174.320 176.519 0.076 0.000 1.121 279 W CA -1.785 55.626 57.345 0.111 0.000 1.208 279 W CB 1.082 30.624 29.460 0.137 0.000 1.253 279 W HN 0.239 nan 8.180 nan 0.000 0.533 280 P HA 0.126 nan 4.420 nan 0.000 0.275 280 P C -0.368 176.590 177.300 -0.569 0.000 1.228 280 P CA -0.028 62.298 63.100 -1.289 0.000 0.786 280 P CB 1.619 32.749 31.700 -0.950 0.000 0.927 281 V N -0.542 119.049 119.914 -0.538 0.000 2.973 281 V HA 0.489 4.609 4.120 -0.000 0.000 0.314 281 V C 0.168 176.035 176.094 -0.378 0.000 1.066 281 V CA -1.072 61.035 62.300 -0.322 0.000 1.021 281 V CB 1.202 32.827 31.823 -0.330 0.000 1.076 281 V HN 0.561 nan 8.190 nan 0.000 0.462 282 N N 3.501 121.996 118.700 -0.343 0.000 2.401 282 N HA 0.380 5.120 4.740 -0.000 0.000 0.255 282 N C -1.240 173.932 175.510 -0.563 0.000 1.110 282 N CA -2.165 50.652 53.050 -0.389 0.000 0.949 282 N CB 1.190 39.516 38.487 -0.269 0.000 1.110 282 N HN 0.529 nan 8.380 nan 0.000 0.490 283 P HA -0.142 nan 4.420 nan 0.000 0.216 283 P C 0.324 177.250 177.300 -0.624 0.000 1.150 283 P CA 1.142 63.548 63.100 -1.157 0.000 0.837 283 P CB 0.408 30.959 31.700 -1.916 0.000 0.786 284 D N -0.471 119.656 120.400 -0.456 0.000 2.149 284 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 284 D C 2.210 178.373 176.300 -0.228 0.000 0.990 284 D CA 1.196 55.027 54.000 -0.282 0.000 0.839 284 D CB -0.665 40.006 40.800 -0.214 0.000 0.948 284 D HN 0.158 nan 8.370 nan 0.000 0.460 285 S N 0.178 115.730 115.700 -0.246 0.000 2.355 285 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 285 S C 2.164 176.676 174.600 -0.147 0.000 1.031 285 S CA 1.041 59.135 58.200 -0.176 0.000 0.993 285 S CB -0.202 62.895 63.200 -0.172 0.000 0.859 285 S HN 0.402 nan 8.310 nan 0.000 0.453 286 I N -0.883 119.560 120.570 -0.211 0.000 2.439 286 I HA 0.002 4.172 4.170 -0.000 0.000 0.251 286 I C 2.089 178.173 176.117 -0.056 0.000 1.139 286 I CA 1.105 62.340 61.300 -0.109 0.000 1.438 286 I CB -0.544 37.318 38.000 -0.230 0.000 1.085 286 I HN 0.233 nan 8.210 nan 0.000 0.427 287 I N 2.072 122.558 120.570 -0.140 0.000 2.113 287 I HA -0.245 3.924 4.170 -0.000 0.000 0.238 287 I C 2.376 178.448 176.117 -0.075 0.000 1.070 287 I CA 1.587 62.825 61.300 -0.102 0.000 1.332 287 I CB -0.698 37.224 38.000 -0.131 0.000 1.044 287 I HN 0.277 nan 8.210 nan 0.000 0.402 288 N N 1.164 119.813 118.700 -0.086 0.000 2.166 288 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 288 N C 1.861 177.345 175.510 -0.044 0.000 1.019 288 N CA 1.586 54.598 53.050 -0.063 0.000 0.856 288 N CB -0.806 37.639 38.487 -0.070 0.000 0.993 288 N HN 0.444 nan 8.380 nan 0.000 0.426 289 G N 0.211 108.990 108.800 -0.035 0.000 2.470 289 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 289 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 289 G C 1.577 176.481 174.900 0.008 0.000 1.121 289 G CA 1.198 46.294 45.100 -0.005 0.000 0.766 289 G HN 0.511 nan 8.290 nan 0.000 0.553 290 S N -0.432 115.268 115.700 -0.000 0.000 2.496 290 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 290 S C 0.790 175.360 174.600 -0.050 0.000 0.996 290 S CA 0.019 58.206 58.200 -0.022 0.000 0.927 290 S CB 0.002 63.178 63.200 -0.040 0.000 0.774 290 S HN 0.280 nan 8.310 nan 0.000 0.524 291 D N 2.005 122.380 120.400 -0.042 0.000 2.455 291 D HA 0.074 4.714 4.640 -0.000 0.000 0.241 291 D C 0.430 176.711 176.300 -0.033 0.000 1.138 291 D CA 0.024 54.001 54.000 -0.039 0.000 0.877 291 D CB 0.563 41.344 40.800 -0.031 0.000 1.187 291 D HN 0.082 nan 8.370 nan 0.000 0.451 292 N N 3.006 121.688 118.700 -0.030 0.000 2.348 292 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 292 N C 1.597 177.107 175.510 0.001 0.000 1.019 292 N CA 0.784 53.824 53.050 -0.016 0.000 0.880 292 N CB -0.114 38.369 38.487 -0.007 0.000 0.965 292 N HN 0.640 nan 8.380 nan 0.000 0.437 293 K N 0.320 120.718 120.400 -0.002 0.000 2.147 293 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 293 K C 1.722 178.324 176.600 0.003 0.000 1.049 293 K CA 1.067 57.356 56.287 0.003 0.000 0.936 293 K CB -0.076 32.423 32.500 -0.001 0.000 0.722 293 K HN 0.171 nan 8.250 nan 0.000 0.446 294 I N 1.005 121.572 120.570 -0.004 0.000 2.729 294 I HA 0.002 4.172 4.170 -0.000 0.000 0.256 294 I C 2.544 178.661 176.117 0.000 0.000 1.115 294 I CA 0.530 61.827 61.300 -0.005 0.000 1.446 294 I CB -0.125 37.868 38.000 -0.012 0.000 1.176 294 I HN 0.210 nan 8.210 nan 0.000 0.446 295 A N 0.990 123.803 122.820 -0.011 0.000 2.019 295 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 295 A C 2.103 179.696 177.584 0.015 0.000 1.164 295 A CA 1.355 53.374 52.037 -0.029 0.000 0.644 295 A CB -0.630 18.317 19.000 -0.088 0.000 0.805 295 A HN 0.436 nan 8.150 nan 0.000 0.449 296 L N -1.192 120.063 121.223 0.054 0.000 2.607 296 L HA 0.263 4.603 4.340 -0.000 0.000 0.228 296 L C 1.147 178.067 176.870 0.083 0.000 1.123 296 L CA -0.046 54.867 54.840 0.122 0.000 0.890 296 L CB -0.288 41.837 42.059 0.110 0.000 1.103 296 L HN 0.349 nan 8.230 nan 0.000 0.468 297 A N 0.790 123.641 122.820 0.050 0.000 2.316 297 A HA 0.679 4.999 4.320 -0.000 0.000 0.284 297 A C 0.424 178.017 177.584 0.014 0.000 1.115 297 A CA -0.258 51.802 52.037 0.038 0.000 0.812 297 A CB 0.520 19.531 19.000 0.018 0.000 1.064 297 A HN 0.184 nan 8.150 nan 0.000 0.489 298 A N 2.174 124.997 122.820 0.006 0.000 2.477 298 A HA 0.535 4.855 4.320 -0.000 0.000 0.246 298 A C 0.487 177.972 177.584 -0.165 0.000 1.078 298 A CA 0.120 52.082 52.037 -0.124 0.000 0.770 298 A CB 0.030 18.885 19.000 -0.242 0.000 1.011 298 A HN 0.811 nan 8.150 nan 0.000 0.494 299 R N 2.508 122.885 120.500 -0.204 0.000 2.673 299 R HA 0.470 4.810 4.340 -0.000 0.000 0.281 299 R C -3.013 173.154 176.300 -0.222 0.000 0.991 299 R CA -1.974 54.024 56.100 -0.170 0.000 0.896 299 R CB 2.251 32.497 30.300 -0.090 0.000 1.201 299 R HN 0.504 nan 8.270 nan 0.000 0.457 300 P HA 0.045 nan 4.420 nan 0.000 0.271 300 P C -0.390 176.848 177.300 -0.103 0.000 1.216 300 P CA -0.285 62.708 63.100 -0.178 0.000 0.771 300 P CB 0.969 32.592 31.700 -0.127 0.000 0.864 301 V N 0.502 120.361 119.914 -0.092 0.000 2.581 301 V HA 0.540 4.660 4.120 -0.000 0.000 0.303 301 V C -0.016 176.185 176.094 0.177 0.000 1.041 301 V CA -0.980 61.342 62.300 0.036 0.000 0.907 301 V CB 1.794 33.584 31.823 -0.054 0.000 0.994 301 V HN 0.288 nan 8.190 nan 0.000 0.442 302 K N 2.888 123.435 120.400 0.244 0.000 2.240 302 K HA 0.716 5.036 4.320 -0.000 0.000 0.271 302 K C 0.107 176.932 176.600 0.375 0.000 1.018 302 K CA -0.309 56.128 56.287 0.251 0.000 0.874 302 K CB 1.899 34.484 32.500 0.140 0.000 1.098 302 K HN 1.035 nan 8.250 nan 0.000 0.458 303 A N 4.115 127.140 122.820 0.341 0.000 2.511 303 A HA 0.177 4.497 4.320 -0.000 0.000 0.242 303 A C 0.079 177.640 177.584 -0.039 0.000 1.069 303 A CA -0.088 51.952 52.037 0.006 0.000 0.763 303 A CB -0.198 18.764 19.000 -0.062 0.000 1.001 303 A HN 0.748 nan 8.150 nan 0.000 0.498 304 I N 2.684 123.160 120.570 -0.157 0.000 2.306 304 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 304 I C -0.190 175.839 176.117 -0.148 0.000 1.036 304 I CA 0.126 61.370 61.300 -0.094 0.000 1.221 304 I CB 1.190 39.153 38.000 -0.063 0.000 1.385 304 I HN 0.525 nan 8.210 nan 0.000 0.472 305 T N 6.392 120.892 114.554 -0.091 0.000 2.963 305 T HA 0.402 4.752 4.350 -0.000 0.000 0.343 305 T C -1.736 172.930 174.700 -0.057 0.000 1.146 305 T CA -0.961 61.090 62.100 -0.080 0.000 1.016 305 T CB 0.700 69.540 68.868 -0.048 0.000 1.046 305 T HN 0.440 nan 8.240 nan 0.000 0.496 306 P HA 0.533 nan 4.420 nan 0.000 0.279 306 P C -3.030 174.186 177.300 -0.141 0.000 1.276 306 P CA -2.053 60.992 63.100 -0.092 0.000 0.801 306 P CB -0.023 31.636 31.700 -0.069 0.000 1.127 307 P HA 0.083 nan 4.420 nan 0.000 0.266 307 P C -0.336 176.800 177.300 -0.273 0.000 1.195 307 P CA 0.338 63.237 63.100 -0.335 0.000 0.768 307 P CB -0.032 31.301 31.700 -0.613 0.000 0.838 308 T N 5.466 119.862 114.554 -0.263 0.000 2.851 308 T HA 0.234 4.584 4.350 -0.000 0.000 0.298 308 T C -2.105 172.460 174.700 -0.226 0.000 0.977 308 T CA -0.964 61.009 62.100 -0.212 0.000 1.126 308 T CB -0.189 68.549 68.868 -0.216 0.000 0.916 308 T HN 0.279 nan 8.240 nan 0.000 0.529 309 P HA 0.226 nan 4.420 nan 0.000 0.270 309 P C -0.530 176.689 177.300 -0.134 0.000 1.223 309 P CA -0.529 62.487 63.100 -0.140 0.000 0.785 309 P CB 0.299 31.940 31.700 -0.098 0.000 0.923 310 A N 2.246 125.001 122.820 -0.109 0.000 2.583 310 A HA 0.043 4.363 4.320 -0.000 0.000 0.249 310 A C 0.176 177.701 177.584 -0.099 0.000 1.035 310 A CA 0.300 52.279 52.037 -0.098 0.000 0.777 310 A CB -0.883 18.074 19.000 -0.073 0.000 0.942 310 A HN 0.369 nan 8.150 nan 0.000 0.516 311 V N 6.258 126.105 119.914 -0.112 0.000 2.406 311 V HA 0.131 4.250 4.120 -0.000 0.000 0.272 311 V C 1.544 177.595 176.094 -0.071 0.000 1.043 311 V CA -0.503 61.739 62.300 -0.097 0.000 0.915 311 V CB 0.990 32.740 31.823 -0.122 0.000 0.988 311 V HN 1.037 nan 8.190 nan 0.000 0.466 312 R N 3.790 124.257 120.500 -0.055 0.000 2.081 312 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 312 R C 1.326 177.609 176.300 -0.029 0.000 1.131 312 R CA 1.399 57.469 56.100 -0.049 0.000 0.960 312 R CB -0.246 30.027 30.300 -0.044 0.000 0.856 312 R HN 0.724 nan 8.270 nan 0.000 0.436 313 A N 1.937 124.765 122.820 0.014 0.000 3.063 313 A HA 0.253 4.573 4.320 -0.000 0.000 0.263 313 A C -0.423 177.251 177.584 0.150 0.000 1.736 313 A CA 0.029 52.126 52.037 0.099 0.000 1.408 313 A CB -0.040 19.040 19.000 0.132 0.000 1.108 313 A HN 0.045 nan 8.150 nan 0.000 0.621 314 S N 0.385 116.138 115.700 0.089 0.000 2.542 314 S HA 0.483 4.953 4.470 -0.000 0.000 0.293 314 S C -0.863 173.809 174.600 0.120 0.000 1.089 314 S CA -0.578 57.688 58.200 0.110 0.000 0.961 314 S CB 1.133 64.313 63.200 -0.032 0.000 1.062 314 S HN 0.681 nan 8.310 nan 0.000 0.483 315 W N 4.284 125.609 121.300 0.040 0.000 2.387 315 W HA 0.512 5.172 4.660 -0.000 0.000 0.310 315 W C -1.695 174.674 176.519 -0.251 0.000 1.181 315 W CA -0.442 56.862 57.345 -0.070 0.000 1.333 315 W CB 0.460 29.984 29.460 0.107 0.000 1.286 315 W HN 0.327 nan 8.180 nan 0.000 0.455 316 V N 7.458 126.923 119.914 -0.748 0.000 2.459 316 V HA 0.430 4.549 4.120 -0.000 0.000 0.295 316 V C -0.100 175.544 176.094 -0.751 0.000 1.029 316 V CA -0.420 61.395 62.300 -0.809 0.000 0.874 316 V CB 1.307 32.180 31.823 -1.582 0.000 0.985 316 V HN 0.652 nan 8.190 nan 0.000 0.438 317 H N 2.285 121.246 119.070 -0.181 0.000 2.981 317 H HA 0.892 5.448 4.556 -0.000 0.000 0.327 317 H C -1.323 174.242 175.328 0.394 0.000 1.342 317 H CA -1.260 54.809 56.048 0.036 0.000 1.123 317 H CB 2.237 32.047 29.762 0.080 0.000 1.851 317 H HN 0.450 nan 8.280 nan 0.000 0.531 318 K N 1.356 121.873 120.400 0.194 0.000 2.561 318 K HA 0.260 4.580 4.320 -0.000 0.000 0.254 318 K C -1.250 175.451 176.600 0.168 0.000 0.942 318 K CA -0.117 56.220 56.287 0.083 0.000 0.818 318 K CB 2.114 34.627 32.500 0.022 0.000 1.306 318 K HN 0.904 nan 8.250 nan 0.000 0.435 319 T N -0.080 114.576 114.554 0.170 0.000 2.899 319 T HA 0.848 5.198 4.350 -0.000 0.000 0.284 319 T C 0.354 175.116 174.700 0.104 0.000 1.004 319 T CA -0.430 61.803 62.100 0.222 0.000 1.043 319 T CB 1.548 70.456 68.868 0.067 0.000 1.013 319 T HN 0.624 nan 8.240 nan 0.000 0.518 320 G N -0.624 108.244 108.800 0.114 0.000 2.733 320 G HA2 0.746 4.706 3.960 -0.000 0.000 0.297 320 G HA3 0.746 4.706 3.960 -0.000 0.000 0.297 320 G C -1.531 173.427 174.900 0.097 0.000 1.422 320 G CA -0.565 44.593 45.100 0.096 0.000 0.942 320 G HN 1.141 nan 8.290 nan 0.000 0.510 321 A N 0.298 123.171 122.820 0.089 0.000 2.606 321 A HA 0.988 5.308 4.320 -0.000 0.000 0.293 321 A C -0.002 177.658 177.584 0.127 0.000 1.082 321 A CA 0.133 52.241 52.037 0.118 0.000 0.685 321 A CB 1.676 20.712 19.000 0.059 0.000 1.284 321 A HN 1.919 nan 8.150 nan 0.000 0.408 322 T N -2.336 112.345 114.554 0.211 0.000 2.693 322 T HA 0.634 4.984 4.350 -0.000 0.000 0.278 322 T C 1.337 176.163 174.700 0.210 0.000 0.994 322 T CA 0.204 62.423 62.100 0.199 0.000 1.033 322 T CB 0.870 69.908 68.868 0.283 0.000 1.342 322 T HN 1.599 nan 8.240 nan 0.000 0.538 323 G N -0.230 108.688 108.800 0.196 0.000 2.442 323 G HA2 0.146 4.106 3.960 -0.000 0.000 0.219 323 G HA3 0.146 4.106 3.960 -0.000 0.000 0.219 323 G C 1.162 176.161 174.900 0.165 0.000 1.141 323 G CA 0.687 45.880 45.100 0.155 0.000 0.763 323 G HN 1.188 nan 8.290 nan 0.000 0.554 324 G N -1.365 107.577 108.800 0.238 0.000 3.324 324 G HA2 0.486 4.446 3.960 -0.000 0.000 0.251 324 G HA3 0.486 4.446 3.960 -0.000 0.000 0.251 324 G C -0.440 174.415 174.900 -0.076 0.000 1.072 324 G CA -0.468 44.672 45.100 0.066 0.000 0.787 324 G HN 0.192 nan 8.290 nan 0.000 0.537 325 F N -0.564 119.518 119.950 0.220 0.000 2.599 325 F HA 0.706 5.233 4.527 -0.000 0.000 0.311 325 F C 0.287 176.216 175.800 0.215 0.000 1.076 325 F CA -1.097 57.067 58.000 0.274 0.000 0.937 325 F CB 2.453 41.638 39.000 0.308 0.000 1.282 325 F HN 0.022 nan 8.300 nan 0.000 0.460 326 G N 0.748 109.807 108.800 0.430 0.000 2.732 326 G HA2 0.596 4.556 3.960 -0.000 0.000 0.295 326 G HA3 0.596 4.556 3.960 -0.000 0.000 0.295 326 G C -1.668 173.376 174.900 0.240 0.000 1.456 326 G CA -0.620 44.611 45.100 0.217 0.000 1.050 326 G HN 0.570 nan 8.290 nan 0.000 0.525 327 S N 0.116 115.927 115.700 0.185 0.000 2.599 327 S HA 0.819 5.289 4.470 -0.000 0.000 0.287 327 S C -1.737 173.030 174.600 0.279 0.000 1.105 327 S CA -0.643 57.689 58.200 0.220 0.000 0.899 327 S CB 2.085 65.412 63.200 0.211 0.000 1.100 327 S HN 0.707 nan 8.310 nan 0.000 0.482 328 Y N 0.430 120.813 120.300 0.138 0.000 2.521 328 Y HA 0.601 5.151 4.550 -0.000 0.000 0.332 328 Y C -1.941 174.089 175.900 0.217 0.000 1.121 328 Y CA -0.779 57.418 58.100 0.162 0.000 1.037 328 Y CB 1.020 39.576 38.460 0.161 0.000 1.330 328 Y HN 0.496 nan 8.280 nan 0.000 0.452 329 V N 4.145 123.846 119.914 -0.354 0.000 2.686 329 V HA 0.974 5.094 4.120 -0.000 0.000 0.306 329 V C -0.884 174.926 176.094 -0.473 0.000 1.065 329 V CA -0.308 61.883 62.300 -0.182 0.000 0.894 329 V CB 1.508 33.484 31.823 0.255 0.000 1.004 329 V HN 1.021 nan 8.190 nan 0.000 0.424 330 A N 4.538 127.119 122.820 -0.398 0.000 2.520 330 A HA 1.042 5.362 4.320 -0.000 0.000 0.298 330 A C -1.287 176.005 177.584 -0.488 0.000 1.051 330 A CA -0.519 51.140 52.037 -0.630 0.000 0.690 330 A CB 1.840 20.326 19.000 -0.857 0.000 1.281 330 A HN 1.479 nan 8.150 nan 0.000 0.402 331 F N -0.747 118.744 119.950 -0.765 0.000 2.668 331 F HA 0.836 5.362 4.527 -0.000 0.000 0.309 331 F C -1.449 173.991 175.800 -0.601 0.000 1.117 331 F CA -1.238 56.397 58.000 -0.610 0.000 0.951 331 F CB 1.303 40.010 39.000 -0.489 0.000 1.323 331 F HN 0.306 nan 8.300 nan 0.000 0.451 332 I N 2.426 122.824 120.570 -0.285 0.000 2.466 332 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 332 I C -2.155 173.862 176.117 -0.167 0.000 1.033 332 I CA -1.847 59.255 61.300 -0.330 0.000 1.123 332 I CB 1.863 39.527 38.000 -0.560 0.000 1.237 332 I HN 0.381 nan 8.210 nan 0.000 0.460 333 P HA -0.212 nan 4.420 nan 0.000 0.216 333 P C 1.456 178.692 177.300 -0.106 0.000 1.153 333 P CA 1.132 64.195 63.100 -0.061 0.000 0.858 333 P CB 0.389 32.063 31.700 -0.043 0.000 0.789 334 E N 0.119 120.255 120.200 -0.107 0.000 2.160 334 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 334 E C 1.338 177.869 176.600 -0.115 0.000 0.991 334 E CA 1.461 57.807 56.400 -0.090 0.000 0.810 334 E CB -0.514 29.156 29.700 -0.049 0.000 0.742 334 E HN 0.069 nan 8.360 nan 0.000 0.466 335 K N 0.391 120.689 120.400 -0.171 0.000 2.374 335 K HA 0.054 4.374 4.320 -0.000 0.000 0.196 335 K C -0.237 176.255 176.600 -0.180 0.000 1.023 335 K CA 0.339 56.518 56.287 -0.180 0.000 1.103 335 K CB 0.580 32.933 32.500 -0.245 0.000 0.848 335 K HN 0.056 nan 8.250 nan 0.000 0.528 336 E N 0.515 120.617 120.200 -0.164 0.000 2.360 336 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 336 E C -0.485 176.022 176.600 -0.155 0.000 1.186 336 E CA 0.503 56.806 56.400 -0.162 0.000 0.719 336 E CB -2.025 27.577 29.700 -0.163 0.000 1.236 336 E HN 0.147 nan 8.360 nan 0.000 0.386 337 L N -0.783 120.352 121.223 -0.146 0.000 2.408 337 L HA 0.813 5.153 4.340 -0.000 0.000 0.268 337 L C 0.196 177.007 176.870 -0.099 0.000 0.986 337 L CA 0.316 55.093 54.840 -0.104 0.000 0.820 337 L CB 2.166 44.147 42.059 -0.130 0.000 1.303 337 L HN 0.148 nan 8.230 nan 0.000 0.411 338 G N 3.974 112.745 108.800 -0.047 0.000 2.623 338 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 338 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 338 G C -2.247 172.655 174.900 0.003 0.000 1.437 338 G CA -0.458 44.614 45.100 -0.046 0.000 0.798 338 G HN 0.787 nan 8.290 nan 0.000 0.488 339 I N -0.133 120.441 120.570 0.006 0.000 2.752 339 I HA 0.665 4.835 4.170 -0.000 0.000 0.295 339 I C -1.307 174.866 176.117 0.093 0.000 1.219 339 I CA -0.998 60.347 61.300 0.075 0.000 1.030 339 I CB 2.339 40.405 38.000 0.109 0.000 1.259 339 I HN 0.382 nan 8.210 nan 0.000 0.423 340 V N 7.266 127.273 119.914 0.155 0.000 2.588 340 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 340 V C -0.495 175.725 176.094 0.210 0.000 1.042 340 V CA -0.449 61.960 62.300 0.182 0.000 0.877 340 V CB 1.841 33.788 31.823 0.207 0.000 0.996 340 V HN 0.643 nan 8.190 nan 0.000 0.425 341 M N 6.099 125.830 119.600 0.219 0.000 2.093 341 M HA 0.585 5.065 4.480 -0.000 0.000 0.297 341 M C -1.325 175.063 176.300 0.147 0.000 0.938 341 M CA -0.120 55.309 55.300 0.215 0.000 0.920 341 M CB 1.750 34.524 32.600 0.290 0.000 1.517 341 M HN 0.391 nan 8.290 nan 0.000 0.427 342 L N 2.996 124.207 121.223 -0.021 0.000 2.333 342 L HA 0.966 5.306 4.340 -0.000 0.000 0.280 342 L C -0.352 176.325 176.870 -0.322 0.000 1.004 342 L CA -0.689 53.975 54.840 -0.294 0.000 0.820 342 L CB 1.700 43.241 42.059 -0.864 0.000 1.247 342 L HN 0.774 nan 8.230 nan 0.000 0.416 343 A N 2.071 124.957 122.820 0.110 0.000 2.475 343 A HA 0.572 4.891 4.320 -0.000 0.000 0.301 343 A C -0.350 177.587 177.584 0.589 0.000 1.059 343 A CA -0.755 51.499 52.037 0.362 0.000 0.710 343 A CB 1.272 20.488 19.000 0.361 0.000 1.288 343 A HN 0.748 nan 8.150 nan 0.000 0.408 344 N N 1.236 120.241 118.700 0.508 0.000 2.575 344 N HA 0.156 4.896 4.740 -0.000 0.000 0.275 344 N C -0.447 175.075 175.510 0.021 0.000 1.202 344 N CA -0.083 52.985 53.050 0.031 0.000 0.945 344 N CB 0.225 38.704 38.487 -0.014 0.000 1.247 344 N HN 0.600 nan 8.380 nan 0.000 0.510 345 K N 0.158 120.654 120.400 0.160 0.000 2.525 345 K HA 0.249 4.569 4.320 -0.000 0.000 0.254 345 K C -1.539 175.240 176.600 0.298 0.000 0.934 345 K CA -0.736 55.660 56.287 0.183 0.000 0.802 345 K CB 1.363 33.965 32.500 0.170 0.000 1.295 345 K HN -0.023 nan 8.250 nan 0.000 0.433 346 N N 3.568 122.403 118.700 0.226 0.000 2.411 346 N HA 0.139 4.878 4.740 -0.000 0.000 0.259 346 N C -1.570 174.073 175.510 0.221 0.000 1.103 346 N CA 0.137 53.305 53.050 0.197 0.000 0.954 346 N CB 0.109 38.678 38.487 0.136 0.000 1.085 346 N HN 0.499 nan 8.380 nan 0.000 0.485 347 Y N 1.214 121.554 120.300 0.067 0.000 2.576 347 Y HA 0.750 5.300 4.550 -0.000 0.000 0.346 347 Y C -2.788 173.130 175.900 0.029 0.000 1.018 347 Y CA -2.899 55.225 58.100 0.040 0.000 1.050 347 Y CB 0.361 38.839 38.460 0.031 0.000 1.280 347 Y HN 0.329 nan 8.280 nan 0.000 0.474 348 P HA 0.097 nan 4.420 nan 0.000 0.268 348 P C 0.088 177.275 177.300 -0.188 0.000 1.204 348 P CA 0.107 63.165 63.100 -0.071 0.000 0.768 348 P CB 0.790 32.497 31.700 0.012 0.000 0.842 349 N N 4.225 122.814 118.700 -0.185 0.000 2.060 349 N HA -0.171 4.569 4.740 -0.000 0.000 0.195 349 N C -0.897 174.507 175.510 -0.176 0.000 1.028 349 N CA 2.017 54.943 53.050 -0.207 0.000 0.861 349 N CB -1.925 36.473 38.487 -0.148 0.000 1.029 349 N HN 0.464 nan 8.380 nan 0.000 0.428 350 P HA -0.001 nan 4.420 nan 0.000 0.220 350 P C 1.034 178.311 177.300 -0.039 0.000 1.148 350 P CA 1.258 64.314 63.100 -0.073 0.000 0.803 350 P CB -0.057 31.616 31.700 -0.046 0.000 0.782 351 A N 0.143 122.966 122.820 0.005 0.000 1.930 351 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 351 A C 2.190 179.846 177.584 0.121 0.000 1.175 351 A CA 1.323 53.418 52.037 0.096 0.000 0.627 351 A CB -0.890 18.240 19.000 0.217 0.000 0.815 351 A HN 0.112 nan 8.150 nan 0.000 0.443 352 R N -0.622 119.894 120.500 0.026 0.000 2.066 352 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 352 R C 1.998 178.232 176.300 -0.110 0.000 1.131 352 R CA 1.508 57.600 56.100 -0.013 0.000 0.955 352 R CB -0.717 29.441 30.300 -0.237 0.000 0.851 352 R HN 0.365 nan 8.270 nan 0.000 0.432 353 V N 1.729 121.476 119.914 -0.279 0.000 2.358 353 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 353 V C 1.965 178.142 176.094 0.138 0.000 1.047 353 V CA 2.142 64.333 62.300 -0.181 0.000 1.035 353 V CB -0.604 31.125 31.823 -0.156 0.000 0.658 353 V HN 0.335 nan 8.190 nan 0.000 0.452 354 D N 0.622 121.073 120.400 0.085 0.000 2.092 354 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 354 D C 2.119 178.559 176.300 0.233 0.000 0.994 354 D CA 1.742 55.831 54.000 0.148 0.000 0.828 354 D CB -0.190 40.657 40.800 0.078 0.000 0.963 354 D HN 0.352 nan 8.370 nan 0.000 0.450 355 A N 0.479 123.409 122.820 0.184 0.000 1.883 355 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 355 A C 2.422 180.156 177.584 0.249 0.000 1.186 355 A CA 2.455 54.599 52.037 0.178 0.000 0.624 355 A CB -1.256 17.823 19.000 0.131 0.000 0.822 355 A HN 0.377 nan 8.150 nan 0.000 0.444 356 A N -1.804 121.231 122.820 0.359 0.000 1.902 356 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 356 A C 2.004 179.921 177.584 0.555 0.000 1.181 356 A CA 1.578 53.909 52.037 0.491 0.000 0.623 356 A CB -0.905 18.578 19.000 0.806 0.000 0.818 356 A HN 0.838 nan 8.150 nan 0.000 0.443 357 W N 0.737 122.281 121.300 0.407 0.000 2.358 357 W HA -0.174 4.486 4.660 -0.000 0.000 0.303 357 W C 2.346 179.003 176.519 0.231 0.000 1.208 357 W CA 1.893 59.427 57.345 0.316 0.000 1.274 357 W CB -0.050 29.441 29.460 0.052 0.000 1.138 357 W HN 0.352 nan 8.180 nan 0.000 0.515 358 Q N 0.179 120.126 119.800 0.244 0.000 2.096 358 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 358 Q C 2.209 178.172 176.000 -0.061 0.000 0.982 358 Q CA 2.261 58.089 55.803 0.041 0.000 0.850 358 Q CB -0.832 27.980 28.738 0.123 0.000 0.901 358 Q HN 0.470 nan 8.270 nan 0.000 0.422 359 I N 0.309 120.894 120.570 0.026 0.000 2.193 359 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 359 I C 2.335 178.440 176.117 -0.020 0.000 1.084 359 I CA 0.818 62.119 61.300 0.002 0.000 1.365 359 I CB -0.274 37.749 38.000 0.038 0.000 1.064 359 I HN 0.109 nan 8.210 nan 0.000 0.410 360 L N 0.354 121.595 121.223 0.030 0.000 2.093 360 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 360 L C 2.239 179.069 176.870 -0.066 0.000 1.085 360 L CA 1.321 56.171 54.840 0.017 0.000 0.755 360 L CB -0.805 41.322 42.059 0.114 0.000 0.904 360 L HN 0.334 nan 8.230 nan 0.000 0.435 361 N N 0.490 119.029 118.700 -0.269 0.000 2.244 361 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 361 N C 1.727 177.133 175.510 -0.174 0.000 1.016 361 N CA 1.277 54.121 53.050 -0.344 0.000 0.866 361 N CB 0.055 37.855 38.487 -1.146 0.000 0.980 361 N HN 0.271 nan 8.380 nan 0.000 0.430 362 A N -0.267 122.459 122.820 -0.157 0.000 2.014 362 A HA 0.064 4.383 4.320 -0.000 0.000 0.218 362 A C 1.969 179.536 177.584 -0.028 0.000 1.163 362 A CA 0.756 52.744 52.037 -0.081 0.000 0.652 362 A CB -0.300 18.654 19.000 -0.077 0.000 0.808 362 A HN 0.344 nan 8.150 nan 0.000 0.449 363 L N -0.488 120.732 121.223 -0.006 0.000 2.554 363 L HA 0.071 4.411 4.340 -0.000 0.000 0.225 363 L C 1.191 178.146 176.870 0.141 0.000 1.104 363 L CA -0.188 54.696 54.840 0.073 0.000 0.866 363 L CB -0.217 41.891 42.059 0.081 0.000 1.047 363 L HN 0.561 nan 8.230 nan 0.000 0.468 364 Q N 0.000 119.843 119.800 0.072 0.000 2.315 364 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 364 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 364 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 364 Q HN 0.000 nan 8.270 nan 0.000 0.481