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 3lcl_1_D DATA FIRST_RESID 1 DATA SEQUENCE MATNLRGVMA ALLTPFDQQQ ALDKASLRRL VQFNIQQGID GLYVGGSTGE DATA SEQUENCE AFVQSLSERE QVLEIVAEEA KGKIKLIAHV GCVSTAESQQ LAASAKRYGF DATA SEQUENCE DAVSAVTPFY YPFSFEEHCD HYRAIIDSAD GLPMVVYNIP ALSGVKLTLD DATA SEQUENCE QINTLVTLPG VGALKQTSGD LYQMEQIRRE HPDLVLYNGY DEIFASGLLA DATA SEQUENCE GADGGIGSTY NIMGWRYQGI VKALKEGDIQ TAQKLQTECN KVIDLLIKTG DATA SEQUENCE IFRGLKTVLH YMDVISVPLC RKPFGPVDEK YLPELKALAQ QLMQER 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 A N 0.943 123.774 122.820 0.018 0.000 1.940 2 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 2 A C 1.813 179.411 177.584 0.023 0.000 1.176 2 A CA 2.999 55.046 52.037 0.017 0.000 0.631 2 A CB -0.823 18.185 19.000 0.014 0.000 0.814 2 A HN 0.647 nan 8.150 nan 0.000 0.446 3 T N -3.903 110.667 114.554 0.027 0.000 3.091 3 T HA 0.209 4.558 4.350 -0.000 0.000 0.277 3 T C 0.183 174.908 174.700 0.042 0.000 0.996 3 T CA 0.061 62.181 62.100 0.034 0.000 0.897 3 T CB -0.639 68.247 68.868 0.030 0.000 1.109 3 T HN 0.284 nan 8.240 nan 0.000 0.534 4 N N 1.472 120.197 118.700 0.040 0.000 2.475 4 N HA 0.223 4.963 4.740 -0.000 0.000 0.267 4 N C 0.670 176.222 175.510 0.070 0.000 1.169 4 N CA -0.259 52.818 53.050 0.044 0.000 0.947 4 N CB 0.394 38.903 38.487 0.036 0.000 1.061 4 N HN 0.293 nan 8.380 nan 0.000 0.466 5 L N 2.162 123.434 121.223 0.082 0.000 2.607 5 L HA 0.241 4.580 4.340 -0.000 0.000 0.228 5 L C 0.768 177.745 176.870 0.178 0.000 1.123 5 L CA -0.093 54.840 54.840 0.155 0.000 0.890 5 L CB -0.099 42.074 42.059 0.190 0.000 1.103 5 L HN 0.432 nan 8.230 nan 0.000 0.468 6 R N 0.808 121.347 120.500 0.064 0.000 2.590 6 R HA 0.462 4.802 4.340 -0.000 0.000 0.274 6 R C 0.358 176.738 176.300 0.134 0.000 1.061 6 R CA 0.614 56.731 56.100 0.028 0.000 1.081 6 R CB 0.494 30.785 30.300 -0.015 0.000 0.984 6 R HN 0.184 nan 8.270 nan 0.000 0.448 7 G N 0.093 109.008 108.800 0.190 0.000 2.362 7 G HA2 0.033 3.993 3.960 -0.000 0.000 0.288 7 G HA3 0.033 3.993 3.960 -0.000 0.000 0.288 7 G C -1.697 173.379 174.900 0.293 0.000 1.305 7 G CA -1.028 44.199 45.100 0.211 0.000 0.910 7 G HN 0.387 nan 8.290 nan 0.000 0.518 8 V N 1.293 121.338 119.914 0.219 0.000 2.333 8 V HA 0.662 4.781 4.120 -0.000 0.000 0.274 8 V C 0.341 176.552 176.094 0.196 0.000 1.028 8 V CA 0.040 62.461 62.300 0.202 0.000 0.851 8 V CB 0.825 32.658 31.823 0.015 0.000 1.000 8 V HN 0.608 nan 8.190 nan 0.000 0.456 9 M N 4.211 123.963 119.600 0.253 0.000 2.326 9 M HA 0.666 5.146 4.480 -0.000 0.000 0.306 9 M C -0.039 176.312 176.300 0.085 0.000 1.054 9 M CA -0.464 54.918 55.300 0.136 0.000 0.922 9 M CB 2.198 34.811 32.600 0.021 0.000 1.632 9 M HN 0.601 nan 8.290 nan 0.000 0.436 10 A N 2.300 125.176 122.820 0.093 0.000 2.401 10 A HA 0.700 5.020 4.320 -0.000 0.000 0.259 10 A C 0.219 177.737 177.584 -0.111 0.000 1.103 10 A CA -0.505 51.508 52.037 -0.040 0.000 0.789 10 A CB 0.274 19.310 19.000 0.060 0.000 1.035 10 A HN 0.906 nan 8.150 nan 0.000 0.491 11 A N 2.796 125.480 122.820 -0.227 0.000 2.437 11 A HA 0.486 4.806 4.320 -0.000 0.000 0.303 11 A C 0.044 177.568 177.584 -0.100 0.000 1.324 11 A CA -0.368 51.596 52.037 -0.122 0.000 0.983 11 A CB -0.482 18.399 19.000 -0.199 0.000 1.142 11 A HN 1.054 nan 8.150 nan 0.000 0.541 12 L N 3.167 124.355 121.223 -0.058 0.000 2.490 12 L HA 0.248 4.588 4.340 -0.000 0.000 0.274 12 L C -0.000 176.777 176.870 -0.155 0.000 1.201 12 L CA 0.559 55.351 54.840 -0.080 0.000 0.869 12 L CB 0.243 42.271 42.059 -0.052 0.000 1.123 12 L HN 0.622 nan 8.230 nan 0.000 0.484 13 L N 3.608 124.730 121.223 -0.168 0.000 2.421 13 L HA 0.420 4.760 4.340 -0.000 0.000 0.263 13 L C 0.257 176.960 176.870 -0.280 0.000 1.122 13 L CA -0.438 54.249 54.840 -0.255 0.000 0.804 13 L CB 1.119 43.052 42.059 -0.210 0.000 1.150 13 L HN 0.550 nan 8.230 nan 0.000 0.457 14 T N 2.133 116.445 114.554 -0.404 0.000 2.874 14 T HA 0.329 4.679 4.350 -0.000 0.000 0.321 14 T C -2.489 171.694 174.700 -0.862 0.000 1.075 14 T CA -1.232 60.535 62.100 -0.555 0.000 0.966 14 T CB 1.123 69.640 68.868 -0.585 0.000 1.001 14 T HN 0.222 nan 8.240 nan 0.000 0.476 15 P HA 0.346 nan 4.420 nan 0.000 0.271 15 P C -0.846 176.147 177.300 -0.513 0.000 1.220 15 P CA -0.239 62.594 63.100 -0.445 0.000 0.768 15 P CB 0.331 31.897 31.700 -0.224 0.000 0.848 16 F N 1.269 121.190 119.950 -0.048 0.000 2.575 16 F HA 0.373 4.900 4.527 0.000 0.000 0.330 16 F C 0.898 176.675 175.800 -0.038 0.000 1.056 16 F CA -0.698 57.281 58.000 -0.036 0.000 0.964 16 F CB 0.782 39.767 39.000 -0.026 0.000 1.258 16 F HN 0.266 nan 8.300 nan 0.000 0.484 17 D N -0.486 120.029 120.400 0.192 0.000 2.511 17 D HA 0.195 4.834 4.640 -0.000 0.000 0.276 17 D C 0.822 177.161 176.300 0.063 0.000 1.220 17 D CA -0.413 53.637 54.000 0.083 0.000 1.077 17 D CB 0.207 41.040 40.800 0.056 0.000 1.126 17 D HN 0.375 nan 8.370 nan 0.000 0.583 18 Q N -1.455 118.361 119.800 0.027 0.000 2.297 18 Q HA -0.147 4.193 4.340 -0.000 0.000 0.208 18 Q C 1.224 177.228 176.000 0.007 0.000 0.981 18 Q CA 1.697 57.507 55.803 0.012 0.000 0.876 18 Q CB -0.159 28.581 28.738 0.003 0.000 0.921 18 Q HN 0.436 nan 8.270 nan 0.000 0.446 19 Q N -0.461 119.343 119.800 0.008 0.000 2.246 19 Q HA 0.153 4.493 4.340 -0.000 0.000 0.202 19 Q C -0.364 175.613 176.000 -0.039 0.000 0.883 19 Q CA 0.161 55.958 55.803 -0.010 0.000 0.952 19 Q CB 0.632 29.367 28.738 -0.005 0.000 1.078 19 Q HN 0.246 nan 8.270 nan 0.000 0.493 20 Q N -2.759 117.014 119.800 -0.045 0.000 2.424 20 Q HA -0.209 4.131 4.340 -0.000 0.000 0.234 20 Q C -0.355 175.520 176.000 -0.209 0.000 0.748 20 Q CA 0.954 56.642 55.803 -0.193 0.000 1.286 20 Q CB -2.165 26.428 28.738 -0.242 0.000 1.494 20 Q HN 0.406 nan 8.270 nan 0.000 0.683 21 A N 0.728 123.552 122.820 0.007 0.000 2.279 21 A HA 0.603 4.923 4.320 -0.000 0.000 0.303 21 A C 0.216 177.967 177.584 0.278 0.000 1.108 21 A CA -0.467 51.620 52.037 0.084 0.000 0.830 21 A CB 0.568 19.598 19.000 0.050 0.000 1.106 21 A HN 0.252 nan 8.150 nan 0.000 0.493 22 L N 0.943 122.335 121.223 0.281 0.000 2.540 22 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 22 L C -0.086 176.844 176.870 0.100 0.000 1.212 22 L CA 0.493 55.468 54.840 0.224 0.000 0.893 22 L CB 0.226 42.353 42.059 0.114 0.000 1.138 22 L HN 0.642 nan 8.230 nan 0.000 0.491 23 D N 4.236 124.657 120.400 0.035 0.000 2.485 23 D HA 0.132 4.772 4.640 -0.000 0.000 0.221 23 D C 0.757 177.041 176.300 -0.028 0.000 1.112 23 D CA -0.173 53.830 54.000 0.005 0.000 0.911 23 D CB 0.673 41.467 40.800 -0.011 0.000 1.019 23 D HN 0.630 nan 8.370 nan 0.000 0.516 24 K N 1.852 122.243 120.400 -0.015 0.000 2.063 24 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 24 K C 1.891 178.475 176.600 -0.028 0.000 1.048 24 K CA 1.405 57.676 56.287 -0.025 0.000 0.928 24 K CB 0.026 32.516 32.500 -0.017 0.000 0.713 24 K HN 0.397 nan 8.250 nan 0.000 0.442 25 A N 1.277 124.085 122.820 -0.019 0.000 1.883 25 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 25 A C 2.259 179.829 177.584 -0.023 0.000 1.186 25 A CA 2.090 54.117 52.037 -0.016 0.000 0.624 25 A CB -0.620 18.375 19.000 -0.008 0.000 0.822 25 A HN 0.206 nan 8.150 nan 0.000 0.444 26 S N -0.719 114.962 115.700 -0.032 0.000 2.402 26 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 26 S C 1.821 176.386 174.600 -0.057 0.000 1.021 26 S CA 1.194 59.367 58.200 -0.045 0.000 0.974 26 S CB -0.361 62.805 63.200 -0.056 0.000 0.800 26 S HN 0.496 nan 8.310 nan 0.000 0.484 27 L N 2.400 123.583 121.223 -0.068 0.000 2.017 27 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 27 L C 2.171 179.016 176.870 -0.041 0.000 1.073 27 L CA 1.723 56.519 54.840 -0.074 0.000 0.745 27 L CB -0.485 41.523 42.059 -0.084 0.000 0.894 27 L HN 0.114 nan 8.230 nan 0.000 0.432 28 R N -0.785 119.697 120.500 -0.031 0.000 2.081 28 R HA -0.114 4.225 4.340 -0.000 0.000 0.235 28 R C 2.378 178.681 176.300 0.005 0.000 1.131 28 R CA 1.524 57.614 56.100 -0.016 0.000 0.960 28 R CB -0.436 29.855 30.300 -0.016 0.000 0.856 28 R HN 0.393 nan 8.270 nan 0.000 0.436 29 R N 0.481 120.983 120.500 0.003 0.000 2.096 29 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 29 R C 2.286 178.623 176.300 0.062 0.000 1.127 29 R CA 1.093 57.207 56.100 0.023 0.000 0.968 29 R CB -0.405 29.890 30.300 -0.008 0.000 0.861 29 R HN 0.112 nan 8.270 nan 0.000 0.440 30 L N 0.621 121.864 121.223 0.033 0.000 2.093 30 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 30 L C 2.011 178.957 176.870 0.126 0.000 1.085 30 L CA 1.459 56.348 54.840 0.081 0.000 0.755 30 L CB -0.213 41.851 42.059 0.008 0.000 0.904 30 L HN -0.108 nan 8.230 nan 0.000 0.435 31 V N -0.531 119.420 119.914 0.062 0.000 2.295 31 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 31 V C 2.659 178.793 176.094 0.066 0.000 1.049 31 V CA 1.590 63.918 62.300 0.047 0.000 1.024 31 V CB -0.672 31.156 31.823 0.007 0.000 0.648 31 V HN 0.483 nan 8.190 nan 0.000 0.447 32 Q N -0.960 118.886 119.800 0.077 0.000 2.124 32 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 32 Q C 2.078 178.153 176.000 0.125 0.000 0.977 32 Q CA 1.657 57.507 55.803 0.078 0.000 0.850 32 Q CB -0.663 28.117 28.738 0.070 0.000 0.901 32 Q HN 0.645 nan 8.270 nan 0.000 0.429 33 F N 2.348 122.310 119.950 0.020 0.000 2.095 33 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 33 F C 1.842 177.681 175.800 0.065 0.000 1.104 33 F CA 1.293 59.318 58.000 0.042 0.000 1.232 33 F CB -0.294 38.734 39.000 0.046 0.000 0.987 33 F HN 0.111 nan 8.300 nan 0.000 0.475 34 N N 0.752 119.489 118.700 0.061 0.000 2.120 34 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 34 N C 2.122 177.605 175.510 -0.044 0.000 1.024 34 N CA 1.912 54.949 53.050 -0.021 0.000 0.852 34 N CB -0.360 38.162 38.487 0.058 0.000 1.003 34 N HN 0.360 nan 8.380 nan 0.000 0.424 35 I N 1.620 122.182 120.570 -0.013 0.000 2.226 35 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 35 I C 2.266 178.360 176.117 -0.039 0.000 1.100 35 I CA 0.956 62.246 61.300 -0.016 0.000 1.374 35 I CB -0.231 37.766 38.000 -0.005 0.000 1.057 35 I HN 0.083 nan 8.210 nan 0.000 0.413 36 Q N 0.869 120.633 119.800 -0.060 0.000 2.170 36 Q HA -0.234 4.105 4.340 -0.000 0.000 0.203 36 Q C 1.884 177.813 176.000 -0.118 0.000 0.976 36 Q CA 1.370 57.125 55.803 -0.080 0.000 0.858 36 Q CB -0.385 28.311 28.738 -0.070 0.000 0.907 36 Q HN 0.727 nan 8.270 nan 0.000 0.433 37 Q N -0.954 118.750 119.800 -0.159 0.000 2.322 37 Q HA 0.288 4.628 4.340 -0.000 0.000 0.203 37 Q C 0.541 176.548 176.000 0.012 0.000 0.923 37 Q CA 0.486 56.241 55.803 -0.080 0.000 0.949 37 Q CB 0.152 28.875 28.738 -0.025 0.000 1.039 37 Q HN 0.248 nan 8.270 nan 0.000 0.496 38 G N 1.389 110.183 108.800 -0.011 0.000 2.160 38 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 38 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 38 G C -0.095 174.820 174.900 0.025 0.000 1.022 38 G CA 0.085 45.192 45.100 0.012 0.000 0.741 38 G HN 0.459 nan 8.290 nan 0.000 0.508 39 I N 0.497 121.079 120.570 0.020 0.000 2.836 39 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 39 I C 1.183 177.324 176.117 0.040 0.000 1.174 39 I CA -0.295 61.025 61.300 0.033 0.000 1.405 39 I CB 0.665 38.689 38.000 0.040 0.000 1.385 39 I HN 0.130 nan 8.210 nan 0.000 0.594 40 D N 4.480 124.916 120.400 0.059 0.000 2.289 40 D HA 0.185 4.825 4.640 -0.000 0.000 0.207 40 D C 0.556 176.894 176.300 0.063 0.000 0.966 40 D CA 1.002 55.041 54.000 0.066 0.000 0.868 40 D CB 0.318 41.175 40.800 0.094 0.000 0.943 40 D HN 0.679 nan 8.370 nan 0.000 0.514 41 G N -0.680 108.158 108.800 0.063 0.000 2.342 41 G HA2 0.487 4.447 3.960 -0.000 0.000 0.297 41 G HA3 0.487 4.447 3.960 -0.000 0.000 0.297 41 G C -1.991 172.939 174.900 0.050 0.000 1.313 41 G CA -0.812 44.318 45.100 0.050 0.000 0.830 41 G HN 0.025 nan 8.290 nan 0.000 0.506 42 L N -0.114 121.137 121.223 0.046 0.000 2.401 42 L HA 0.519 4.859 4.340 -0.000 0.000 0.266 42 L C -1.462 175.466 176.870 0.097 0.000 0.991 42 L CA -0.974 53.899 54.840 0.055 0.000 0.818 42 L CB 2.662 44.742 42.059 0.036 0.000 1.321 42 L HN 0.638 nan 8.230 nan 0.000 0.413 43 Y N 3.010 123.263 120.300 -0.079 0.000 2.369 43 Y HA 0.576 5.126 4.550 -0.000 0.000 0.337 43 Y C -0.729 175.135 175.900 -0.060 0.000 0.961 43 Y CA -0.609 57.430 58.100 -0.101 0.000 1.186 43 Y CB 1.186 39.505 38.460 -0.235 0.000 1.139 43 Y HN 0.207 nan 8.280 nan 0.000 0.494 44 V N 5.199 124.991 119.914 -0.203 0.000 2.513 44 V HA 0.618 4.737 4.120 -0.000 0.000 0.299 44 V C 0.658 176.609 176.094 -0.237 0.000 1.035 44 V CA -0.226 61.990 62.300 -0.139 0.000 0.889 44 V CB 1.167 33.012 31.823 0.038 0.000 0.988 44 V HN 1.016 nan 8.190 nan 0.000 0.440 45 G N 3.027 111.730 108.800 -0.163 0.000 2.132 45 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.234 45 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.234 45 G C 0.434 175.295 174.900 -0.066 0.000 0.989 45 G CA 0.112 45.133 45.100 -0.132 0.000 0.676 45 G HN 1.326 nan 8.290 nan 0.000 0.522 46 G N -0.493 108.232 108.800 -0.125 0.000 2.543 46 G HA2 0.582 4.541 3.960 -0.000 0.000 0.267 46 G HA3 0.582 4.541 3.960 -0.000 0.000 0.267 46 G C 1.325 176.161 174.900 -0.108 0.000 1.406 46 G CA 0.960 45.970 45.100 -0.150 0.000 1.048 46 G HN 0.642 nan 8.290 nan 0.000 0.548 47 S N -0.559 115.199 115.700 0.095 0.000 2.365 47 S HA -0.172 4.297 4.470 -0.000 0.000 0.225 47 S C 2.469 177.027 174.600 -0.071 0.000 1.039 47 S CA 2.076 60.409 58.200 0.221 0.000 1.033 47 S CB -0.597 62.819 63.200 0.361 0.000 0.887 47 S HN 0.597 nan 8.310 nan 0.000 0.447 48 T N 1.284 115.694 114.554 -0.239 0.000 2.881 48 T HA -0.024 4.326 4.350 -0.000 0.000 0.270 48 T C 1.757 176.031 174.700 -0.709 0.000 1.068 48 T CA 1.210 62.842 62.100 -0.781 0.000 1.131 48 T CB -0.484 68.170 68.868 -0.356 0.000 0.871 48 T HN 0.564 nan 8.240 nan 0.000 0.479 49 G N 0.391 108.967 108.800 -0.373 0.000 3.026 49 G HA2 0.127 4.087 3.960 -0.000 0.000 0.208 49 G HA3 0.127 4.087 3.960 -0.000 0.000 0.208 49 G C 0.220 174.993 174.900 -0.212 0.000 1.169 49 G CA -0.180 44.746 45.100 -0.289 0.000 0.788 49 G HN 0.568 nan 8.290 nan 0.000 0.533 50 E N -1.506 118.567 120.200 -0.213 0.000 2.586 50 E HA -0.301 4.048 4.350 -0.000 0.000 0.259 50 E C 1.727 178.355 176.600 0.047 0.000 1.107 50 E CA 0.068 56.493 56.400 0.042 0.000 0.754 50 E CB -1.374 28.444 29.700 0.195 0.000 1.335 50 E HN 0.518 nan 8.360 nan 0.000 0.411 51 A N -0.245 122.484 122.820 -0.152 0.000 1.978 51 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 51 A C 1.423 178.845 177.584 -0.270 0.000 1.170 51 A CA 1.395 53.266 52.037 -0.277 0.000 0.636 51 A CB -0.365 18.346 19.000 -0.481 0.000 0.810 51 A HN 0.311 nan 8.150 nan 0.000 0.448 52 F N -0.661 119.405 119.950 0.192 0.000 2.811 52 F HA 0.121 4.648 4.527 -0.001 0.000 0.301 52 F C 1.388 177.282 175.800 0.157 0.000 1.151 52 F CA 0.679 58.800 58.000 0.201 0.000 1.412 52 F CB 0.112 39.252 39.000 0.234 0.000 1.113 52 F HN 0.140 nan 8.300 nan 0.000 0.579 53 V N -3.230 116.826 119.914 0.237 0.000 3.078 53 V HA 0.369 4.488 4.120 -0.000 0.000 0.344 53 V C -0.097 176.057 176.094 0.100 0.000 1.409 53 V CA -0.332 62.067 62.300 0.166 0.000 1.146 53 V CB -0.634 31.296 31.823 0.178 0.000 1.126 53 V HN 0.107 nan 8.190 nan 0.000 0.513 54 Q N 1.153 121.009 119.800 0.094 0.000 2.399 54 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 54 Q C -0.061 175.968 176.000 0.050 0.000 1.098 54 Q CA -0.295 55.547 55.803 0.066 0.000 0.827 54 Q CB 2.699 31.480 28.738 0.071 0.000 1.386 54 Q HN 0.649 nan 8.270 nan 0.000 0.443 55 S N 0.278 116.000 115.700 0.037 0.000 2.681 55 S HA 0.322 4.792 4.470 -0.000 0.000 0.270 55 S C 1.135 175.748 174.600 0.021 0.000 1.209 55 S CA -0.656 57.561 58.200 0.029 0.000 0.988 55 S CB 0.439 63.652 63.200 0.021 0.000 1.006 55 S HN 0.668 nan 8.310 nan 0.000 0.558 56 L N 1.148 122.380 121.223 0.015 0.000 2.046 56 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 56 L C 3.074 179.949 176.870 0.008 0.000 1.077 56 L CA 1.633 56.476 54.840 0.004 0.000 0.747 56 L CB -1.022 41.037 42.059 -0.001 0.000 0.896 56 L HN 0.962 nan 8.230 nan 0.000 0.432 57 S N -0.584 115.125 115.700 0.015 0.000 2.382 57 S HA -0.195 4.274 4.470 -0.000 0.000 0.228 57 S C 1.685 176.300 174.600 0.025 0.000 1.027 57 S CA 1.110 59.324 58.200 0.023 0.000 0.991 57 S CB -0.367 62.846 63.200 0.021 0.000 0.823 57 S HN 0.480 nan 8.310 nan 0.000 0.469 58 E N 1.255 121.469 120.200 0.025 0.000 2.106 58 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 58 E C 2.467 179.079 176.600 0.020 0.000 0.984 58 E CA 0.782 57.202 56.400 0.033 0.000 0.806 58 E CB -0.129 29.603 29.700 0.053 0.000 0.750 58 E HN 0.536 nan 8.360 nan 0.000 0.458 59 R N 0.876 121.379 120.500 0.005 0.000 2.092 59 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 59 R C 2.147 178.436 176.300 -0.018 0.000 1.119 59 R CA 1.111 57.196 56.100 -0.024 0.000 0.970 59 R CB -0.059 30.212 30.300 -0.049 0.000 0.864 59 R HN 0.223 nan 8.270 nan 0.000 0.440 60 E N 0.518 120.729 120.200 0.020 0.000 2.106 60 E HA -0.235 4.114 4.350 -0.000 0.000 0.192 60 E C 2.033 178.651 176.600 0.031 0.000 0.984 60 E CA 0.823 57.281 56.400 0.097 0.000 0.806 60 E CB -0.001 29.786 29.700 0.146 0.000 0.750 60 E HN 0.346 nan 8.360 nan 0.000 0.458 61 Q N 0.874 120.672 119.800 -0.002 0.000 2.096 61 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 61 Q C 2.255 178.208 176.000 -0.078 0.000 0.982 61 Q CA 1.400 57.175 55.803 -0.046 0.000 0.850 61 Q CB 0.128 28.858 28.738 -0.013 0.000 0.901 61 Q HN 0.123 nan 8.270 nan 0.000 0.422 62 V N 1.015 120.899 119.914 -0.049 0.000 2.295 62 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 62 V C 2.349 178.420 176.094 -0.037 0.000 1.049 62 V CA 1.548 63.817 62.300 -0.052 0.000 1.024 62 V CB -0.520 31.271 31.823 -0.053 0.000 0.648 62 V HN 0.403 nan 8.190 nan 0.000 0.447 63 L N -0.155 121.049 121.223 -0.031 0.000 2.012 63 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 63 L C 2.611 179.482 176.870 0.002 0.000 1.073 63 L CA 2.266 57.148 54.840 0.070 0.000 0.748 63 L CB -0.625 41.426 42.059 -0.013 0.000 0.891 63 L HN 0.447 nan 8.230 nan 0.000 0.431 64 E N 0.786 120.704 120.200 -0.471 0.000 2.051 64 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 64 E C 2.296 178.711 176.600 -0.309 0.000 0.991 64 E CA 1.312 57.235 56.400 -0.796 0.000 0.799 64 E CB -0.043 29.103 29.700 -0.923 0.000 0.748 64 E HN 0.449 nan 8.360 nan 0.000 0.449 65 I N 0.430 120.888 120.570 -0.187 0.000 2.226 65 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 65 I C 2.341 178.410 176.117 -0.079 0.000 1.100 65 I CA 0.626 61.860 61.300 -0.110 0.000 1.374 65 I CB -0.105 37.847 38.000 -0.080 0.000 1.057 65 I HN 0.085 nan 8.210 nan 0.000 0.413 66 V N 1.071 120.958 119.914 -0.045 0.000 2.407 66 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 66 V C 2.717 178.745 176.094 -0.110 0.000 1.055 66 V CA 1.930 64.208 62.300 -0.036 0.000 1.049 66 V CB -1.001 30.849 31.823 0.044 0.000 0.662 66 V HN 0.488 nan 8.190 nan 0.000 0.455 67 A N -0.097 122.640 122.820 -0.139 0.000 1.902 67 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 67 A C 2.163 179.663 177.584 -0.139 0.000 1.181 67 A CA 1.840 53.736 52.037 -0.234 0.000 0.623 67 A CB -0.461 18.449 19.000 -0.150 0.000 0.818 67 A HN 0.637 nan 8.150 nan 0.000 0.443 68 E N -0.329 119.809 120.200 -0.103 0.000 2.085 68 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 68 E C 1.904 178.466 176.600 -0.064 0.000 0.994 68 E CA 1.243 57.600 56.400 -0.073 0.000 0.801 68 E CB -0.150 29.509 29.700 -0.067 0.000 0.743 68 E HN 0.567 nan 8.360 nan 0.000 0.453 69 E N -0.075 120.085 120.200 -0.067 0.000 2.112 69 E HA -0.048 4.301 4.350 -0.000 0.000 0.190 69 E C 1.559 178.126 176.600 -0.056 0.000 0.979 69 E CA 1.036 57.406 56.400 -0.051 0.000 0.814 69 E CB 0.191 29.867 29.700 -0.040 0.000 0.762 69 E HN 0.233 nan 8.360 nan 0.000 0.460 70 A N 0.579 123.349 122.820 -0.084 0.000 2.358 70 A HA 0.092 4.412 4.320 -0.000 0.000 0.223 70 A C 1.009 178.525 177.584 -0.113 0.000 1.218 70 A CA -0.324 51.660 52.037 -0.088 0.000 0.942 70 A CB 0.172 19.121 19.000 -0.085 0.000 1.005 70 A HN -0.014 nan 8.150 nan 0.000 0.514 71 K N 0.389 120.701 120.400 -0.146 0.000 2.511 71 K HA 0.246 4.566 4.320 -0.000 0.000 0.280 71 K C 1.283 177.831 176.600 -0.086 0.000 1.008 71 K CA 1.215 57.413 56.287 -0.147 0.000 1.050 71 K CB -0.121 32.296 32.500 -0.138 0.000 0.889 71 K HN 0.836 nan 8.250 nan 0.000 0.484 72 G N 3.764 112.520 108.800 -0.073 0.000 2.284 72 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.247 72 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.247 72 G C 0.911 175.791 174.900 -0.033 0.000 1.012 72 G CA 0.368 45.442 45.100 -0.043 0.000 0.618 72 G HN 0.629 nan 8.290 nan 0.000 0.521 73 K N 0.316 120.693 120.400 -0.039 0.000 2.128 73 K HA 0.353 4.673 4.320 -0.000 0.000 0.202 73 K C 1.599 178.187 176.600 -0.020 0.000 1.050 73 K CA 1.538 57.809 56.287 -0.027 0.000 0.966 73 K CB 0.074 32.557 32.500 -0.028 0.000 0.759 73 K HN 0.857 nan 8.250 nan 0.000 0.454 74 I N -2.155 118.397 120.570 -0.030 0.000 3.191 74 I HA 0.403 4.573 4.170 -0.000 0.000 0.313 74 I C -0.814 175.289 176.117 -0.024 0.000 1.193 74 I CA -1.340 59.951 61.300 -0.014 0.000 0.968 74 I CB 1.693 39.689 38.000 -0.007 0.000 1.262 74 I HN -0.370 nan 8.210 nan 0.000 0.456 75 K N 2.530 122.933 120.400 0.006 0.000 2.295 75 K HA 0.543 4.863 4.320 -0.000 0.000 0.270 75 K C -0.940 175.658 176.600 -0.004 0.000 1.011 75 K CA -0.139 56.157 56.287 0.014 0.000 0.953 75 K CB 0.956 33.494 32.500 0.063 0.000 0.956 75 K HN 0.544 nan 8.250 nan 0.000 0.477 76 L N 4.370 125.579 121.223 -0.023 0.000 2.376 76 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 76 L C -0.303 176.701 176.870 0.223 0.000 0.987 76 L CA -0.556 54.270 54.840 -0.024 0.000 0.828 76 L CB 1.266 43.045 42.059 -0.467 0.000 1.249 76 L HN 0.397 nan 8.230 nan 0.000 0.409 77 I N 2.854 123.578 120.570 0.257 0.000 2.378 77 I HA 0.523 4.692 4.170 -0.000 0.000 0.291 77 I C 0.206 176.350 176.117 0.046 0.000 0.992 77 I CA -0.482 60.934 61.300 0.193 0.000 1.154 77 I CB 2.051 40.133 38.000 0.137 0.000 1.315 77 I HN 0.617 nan 8.210 nan 0.000 0.448 78 A N 5.900 128.657 122.820 -0.106 0.000 2.253 78 A HA 0.267 4.587 4.320 -0.000 0.000 0.316 78 A C -0.345 176.999 177.584 -0.400 0.000 1.327 78 A CA -0.399 51.356 52.037 -0.470 0.000 0.917 78 A CB 0.023 18.468 19.000 -0.925 0.000 1.162 78 A HN 0.803 nan 8.150 nan 0.000 0.535 79 H N 3.737 122.474 119.070 -0.556 0.000 2.864 79 H HA 0.268 4.824 4.556 -0.001 0.000 0.281 79 H C 0.484 175.678 175.328 -0.224 0.000 1.093 79 H CA 0.625 56.434 56.048 -0.398 0.000 1.453 79 H CB 1.206 30.700 29.762 -0.446 0.000 1.462 79 H HN 0.537 nan 8.280 nan 0.000 0.480 80 V N 2.619 122.165 119.914 -0.615 0.000 3.578 80 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 80 V C 1.143 176.982 176.094 -0.425 0.000 1.376 80 V CA 0.113 62.151 62.300 -0.436 0.000 1.083 80 V CB -0.080 31.569 31.823 -0.290 0.000 0.911 80 V HN 0.686 nan 8.190 nan 0.000 0.433 81 G N -0.097 108.256 108.800 -0.744 0.000 2.380 81 G HA2 0.382 4.342 3.960 -0.000 0.000 0.242 81 G HA3 0.382 4.342 3.960 -0.000 0.000 0.242 81 G C -0.321 174.696 174.900 0.195 0.000 1.298 81 G CA 0.543 45.542 45.100 -0.167 0.000 0.878 81 G HN 0.551 nan 8.290 nan 0.000 0.542 82 C N 0.842 120.275 119.300 0.222 0.000 3.285 82 C HA 0.357 4.817 4.460 -0.000 0.000 0.320 82 C C 1.657 176.691 174.990 0.074 0.000 1.411 82 C CA -0.543 58.616 59.018 0.236 0.000 1.429 82 C CB 1.496 29.304 27.740 0.114 0.000 1.812 82 C HN 0.552 nan 8.230 nan 0.000 0.454 83 V N 1.149 120.994 119.914 -0.115 0.000 2.427 83 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 83 V C 1.347 177.355 176.094 -0.143 0.000 1.051 83 V CA 1.965 64.105 62.300 -0.266 0.000 1.048 83 V CB -0.355 31.285 31.823 -0.305 0.000 0.666 83 V HN 0.880 nan 8.190 nan 0.000 0.456 84 S N -0.268 115.411 115.700 -0.036 0.000 2.528 84 S HA 0.043 4.513 4.470 -0.000 0.000 0.277 84 S C 1.341 175.973 174.600 0.053 0.000 1.297 84 S CA 0.141 58.334 58.200 -0.011 0.000 1.052 84 S CB 1.279 64.480 63.200 0.000 0.000 0.917 84 S HN 0.470 nan 8.310 nan 0.000 0.492 85 T N 5.194 119.776 114.554 0.047 0.000 2.777 85 T HA -0.032 4.317 4.350 -0.000 0.000 0.266 85 T C 2.145 176.803 174.700 -0.069 0.000 1.040 85 T CA 1.401 63.518 62.100 0.027 0.000 1.141 85 T CB -0.580 68.291 68.868 0.004 0.000 0.868 85 T HN 0.798 nan 8.240 nan 0.000 0.444 86 A N 1.790 124.579 122.820 -0.051 0.000 1.902 86 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 86 A C 2.203 179.753 177.584 -0.056 0.000 1.181 86 A CA 1.609 53.612 52.037 -0.057 0.000 0.623 86 A CB -0.515 18.460 19.000 -0.043 0.000 0.818 86 A HN 0.579 nan 8.150 nan 0.000 0.443 87 E N -0.111 120.066 120.200 -0.038 0.000 2.072 87 E HA -0.104 4.245 4.350 -0.000 0.000 0.191 87 E C 2.287 178.851 176.600 -0.059 0.000 0.985 87 E CA 1.225 57.604 56.400 -0.034 0.000 0.801 87 E CB -0.186 29.510 29.700 -0.007 0.000 0.750 87 E HN 0.581 nan 8.360 nan 0.000 0.452 88 S N 1.278 116.937 115.700 -0.068 0.000 2.382 88 S HA -0.205 4.264 4.470 -0.000 0.000 0.228 88 S C 1.955 176.464 174.600 -0.153 0.000 1.027 88 S CA 1.102 59.228 58.200 -0.123 0.000 0.991 88 S CB -0.185 62.911 63.200 -0.173 0.000 0.823 88 S HN 0.276 nan 8.310 nan 0.000 0.469 89 Q N 0.712 120.426 119.800 -0.143 0.000 2.124 89 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 89 Q C 2.417 178.348 176.000 -0.116 0.000 0.977 89 Q CA 1.170 56.893 55.803 -0.134 0.000 0.850 89 Q CB -0.182 28.486 28.738 -0.117 0.000 0.901 89 Q HN 0.609 nan 8.270 nan 0.000 0.429 90 Q N 0.786 120.526 119.800 -0.100 0.000 2.050 90 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 90 Q C 2.067 177.998 176.000 -0.115 0.000 0.980 90 Q CA 1.077 56.824 55.803 -0.093 0.000 0.840 90 Q CB -0.025 28.672 28.738 -0.068 0.000 0.898 90 Q HN 0.394 nan 8.270 nan 0.000 0.424 91 L N 0.209 121.359 121.223 -0.121 0.000 2.083 91 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 91 L C 2.597 179.355 176.870 -0.187 0.000 1.083 91 L CA 0.903 55.654 54.840 -0.148 0.000 0.752 91 L CB -0.636 41.329 42.059 -0.155 0.000 0.899 91 L HN 0.311 nan 8.230 nan 0.000 0.433 92 A N 0.173 122.889 122.820 -0.174 0.000 1.902 92 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 92 A C 2.538 180.027 177.584 -0.159 0.000 1.181 92 A CA 1.735 53.672 52.037 -0.166 0.000 0.623 92 A CB -0.641 18.274 19.000 -0.142 0.000 0.818 92 A HN 0.398 nan 8.150 nan 0.000 0.443 93 A N -0.732 121.997 122.820 -0.152 0.000 1.933 93 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 93 A C 2.425 179.872 177.584 -0.228 0.000 1.175 93 A CA 2.001 53.946 52.037 -0.153 0.000 0.628 93 A CB -0.734 18.189 19.000 -0.128 0.000 0.814 93 A HN 0.444 nan 8.150 nan 0.000 0.444 94 S N -0.200 115.328 115.700 -0.288 0.000 2.368 94 S HA 0.021 4.490 4.470 -0.000 0.000 0.224 94 S C 2.324 176.551 174.600 -0.622 0.000 1.029 94 S CA 1.009 58.886 58.200 -0.540 0.000 0.988 94 S CB -0.426 62.534 63.200 -0.399 0.000 0.838 94 S HN 0.786 nan 8.310 nan 0.000 0.462 95 A N 1.876 124.500 122.820 -0.327 0.000 1.908 95 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 95 A C 2.024 179.603 177.584 -0.008 0.000 1.181 95 A CA 1.982 53.889 52.037 -0.217 0.000 0.627 95 A CB -0.547 18.262 19.000 -0.318 0.000 0.818 95 A HN 0.492 nan 8.150 nan 0.000 0.445 96 K N -0.664 119.689 120.400 -0.079 0.000 2.057 96 K HA -0.147 4.172 4.320 -0.000 0.000 0.206 96 K C 2.323 178.906 176.600 -0.029 0.000 1.050 96 K CA 1.422 57.697 56.287 -0.020 0.000 0.935 96 K CB -0.203 32.268 32.500 -0.049 0.000 0.715 96 K HN 0.399 nan 8.250 nan 0.000 0.439 97 R N -0.646 119.761 120.500 -0.154 0.000 2.091 97 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 97 R C 1.740 178.028 176.300 -0.021 0.000 1.136 97 R CA 1.678 57.681 56.100 -0.160 0.000 0.959 97 R CB -0.163 29.940 30.300 -0.328 0.000 0.856 97 R HN 0.279 nan 8.270 nan 0.000 0.437 98 Y N -0.855 119.513 120.300 0.114 0.000 2.583 98 Y HA 0.216 4.766 4.550 -0.001 0.000 0.293 98 Y C 1.467 177.443 175.900 0.128 0.000 1.157 98 Y CA 0.572 58.765 58.100 0.154 0.000 1.315 98 Y CB -0.031 38.601 38.460 0.286 0.000 1.021 98 Y HN 0.330 nan 8.280 nan 0.000 0.536 99 G N -0.725 108.224 108.800 0.250 0.000 2.165 99 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.226 99 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.226 99 G C -0.134 174.818 174.900 0.087 0.000 1.035 99 G CA -0.542 44.634 45.100 0.127 0.000 0.744 99 G HN 0.132 nan 8.290 nan 0.000 0.501 100 F N 0.579 120.558 119.950 0.048 0.000 2.444 100 F HA 0.338 4.865 4.527 -0.000 0.000 0.331 100 F C 1.649 177.461 175.800 0.021 0.000 1.167 100 F CA 0.063 58.081 58.000 0.031 0.000 1.262 100 F CB 0.599 39.612 39.000 0.022 0.000 1.196 100 F HN 0.049 nan 8.300 nan 0.000 0.583 101 D N 0.741 121.234 120.400 0.157 0.000 2.289 101 D HA 0.220 4.860 4.640 -0.000 0.000 0.207 101 D C 0.284 176.662 176.300 0.130 0.000 0.966 101 D CA 0.799 54.865 54.000 0.109 0.000 0.868 101 D CB 0.401 41.246 40.800 0.075 0.000 0.943 101 D HN 0.407 nan 8.370 nan 0.000 0.514 102 A N 0.066 122.989 122.820 0.172 0.000 2.586 102 A HA 0.531 4.851 4.320 -0.000 0.000 0.290 102 A C -1.032 176.610 177.584 0.097 0.000 1.086 102 A CA -0.669 51.446 52.037 0.129 0.000 0.665 102 A CB 1.222 20.306 19.000 0.139 0.000 1.279 102 A HN -0.043 nan 8.150 nan 0.000 0.423 103 V N -2.006 117.940 119.914 0.053 0.000 3.046 103 V HA 1.006 5.125 4.120 -0.000 0.000 0.316 103 V C -0.132 175.989 176.094 0.045 0.000 1.104 103 V CA -0.234 62.056 62.300 -0.017 0.000 1.006 103 V CB 1.524 33.315 31.823 -0.055 0.000 1.058 103 V HN 1.786 nan 8.190 nan 0.000 0.440 104 S N 0.415 116.126 115.700 0.017 0.000 2.550 104 S HA 0.895 5.364 4.470 -0.000 0.000 0.270 104 S C -0.925 173.785 174.600 0.183 0.000 1.145 104 S CA 0.096 58.412 58.200 0.194 0.000 0.852 104 S CB 1.674 65.068 63.200 0.323 0.000 1.119 104 S HN 2.280 nan 8.310 nan 0.000 0.465 105 A N 2.481 125.553 122.820 0.419 0.000 2.437 105 A HA 0.695 5.014 4.320 -0.000 0.000 0.293 105 A C -0.550 177.456 177.584 0.702 0.000 1.038 105 A CA -0.540 51.723 52.037 0.377 0.000 0.708 105 A CB 1.354 20.403 19.000 0.082 0.000 1.251 105 A HN 1.172 nan 8.150 nan 0.000 0.409 106 V N 2.821 123.260 119.914 0.874 0.000 2.811 106 V HA 0.482 4.601 4.120 -0.000 0.000 0.302 106 V C 0.987 177.356 176.094 0.459 0.000 1.063 106 V CA 0.632 63.282 62.300 0.584 0.000 1.088 106 V CB 1.283 33.364 31.823 0.431 0.000 0.982 106 V HN 1.328 nan 8.190 nan 0.000 0.485 107 T N 6.451 121.231 114.554 0.376 0.000 2.871 107 T HA 0.190 4.539 4.350 -0.000 0.000 0.296 107 T C -2.329 172.588 174.700 0.360 0.000 0.998 107 T CA -0.905 61.407 62.100 0.354 0.000 1.162 107 T CB 0.450 69.424 68.868 0.177 0.000 0.947 107 T HN 0.742 nan 8.240 nan 0.000 0.536 108 P HA 0.128 nan 4.420 nan 0.000 0.264 108 P C -0.431 177.091 177.300 0.369 0.000 1.183 108 P CA -0.166 62.957 63.100 0.039 0.000 0.763 108 P CB 0.185 31.566 31.700 -0.533 0.000 0.807 109 F N 1.328 121.418 119.950 0.233 0.000 2.697 109 F HA 0.544 5.070 4.527 -0.001 0.000 0.386 109 F C 1.554 177.456 175.800 0.170 0.000 1.154 109 F CA -1.307 56.796 58.000 0.171 0.000 1.108 109 F CB -0.404 38.606 39.000 0.017 0.000 1.429 109 F HN 0.435 nan 8.300 nan 0.000 0.509 110 Y N -1.124 119.267 120.300 0.152 0.000 2.750 110 Y HA -0.375 4.175 4.550 0.001 0.000 0.477 110 Y C -0.447 175.285 175.900 -0.280 0.000 1.138 110 Y CA 1.398 59.420 58.100 -0.130 0.000 2.829 110 Y CB -1.802 36.453 38.460 -0.343 0.000 1.073 110 Y HN 0.533 nan 8.280 nan 0.000 0.590 111 Y N 3.798 123.998 120.300 -0.167 0.000 2.346 111 Y HA 0.351 4.900 4.550 -0.001 0.000 0.330 111 Y C -1.913 173.544 175.900 -0.738 0.000 1.178 111 Y CA -1.972 55.794 58.100 -0.558 0.000 1.331 111 Y CB -0.138 37.817 38.460 -0.842 0.000 1.253 111 Y HN 0.008 nan 8.280 nan 0.000 0.529 112 P HA 0.094 nan 4.420 nan 0.000 0.244 112 P C -1.017 176.153 177.300 -0.217 0.000 1.769 112 P CA -0.124 62.851 63.100 -0.209 0.000 1.102 112 P CB -0.589 31.041 31.700 -0.116 0.000 1.937 113 F N 0.608 120.573 119.950 0.025 0.000 2.459 113 F HA 0.163 4.689 4.527 -0.001 0.000 0.346 113 F C 1.722 177.510 175.800 -0.019 0.000 1.128 113 F CA -0.141 57.787 58.000 -0.120 0.000 1.268 113 F CB 0.209 38.936 39.000 -0.454 0.000 1.161 113 F HN 0.127 nan 8.300 nan 0.000 0.583 114 S N 2.248 118.060 115.700 0.187 0.000 2.624 114 S HA 0.145 4.614 4.470 -0.000 0.000 0.263 114 S C 0.791 175.580 174.600 0.314 0.000 1.287 114 S CA -0.573 57.757 58.200 0.216 0.000 0.990 114 S CB 0.356 63.643 63.200 0.146 0.000 0.950 114 S HN 0.574 nan 8.310 nan 0.000 0.561 115 F N 1.006 121.093 119.950 0.228 0.000 2.186 115 F HA -0.005 4.521 4.527 -0.000 0.000 0.299 115 F C 2.405 178.328 175.800 0.206 0.000 1.090 115 F CA 1.886 60.046 58.000 0.266 0.000 1.307 115 F CB -0.519 38.580 39.000 0.165 0.000 1.019 115 F HN 0.943 nan 8.300 nan 0.000 0.489 116 E N 0.139 120.363 120.200 0.041 0.000 2.077 116 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 116 E C 2.004 178.545 176.600 -0.099 0.000 0.989 116 E CA 1.622 57.980 56.400 -0.071 0.000 0.800 116 E CB -0.185 29.530 29.700 0.025 0.000 0.746 116 E HN 0.596 nan 8.360 nan 0.000 0.452 117 E N -0.462 119.700 120.200 -0.063 0.000 2.110 117 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 117 E C 2.198 178.682 176.600 -0.193 0.000 0.988 117 E CA 0.886 57.205 56.400 -0.134 0.000 0.804 117 E CB -0.135 29.486 29.700 -0.132 0.000 0.745 117 E HN 0.424 nan 8.360 nan 0.000 0.458 118 H N 0.030 119.050 119.070 -0.084 0.000 2.321 118 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 118 H C 2.398 177.750 175.328 0.040 0.000 1.087 118 H CA 1.187 57.222 56.048 -0.022 0.000 1.319 118 H CB -0.432 29.380 29.762 0.083 0.000 1.379 118 H HN 0.276 nan 8.280 nan 0.000 0.501 119 C N 0.917 120.171 119.300 -0.076 0.000 2.413 119 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 119 C C 2.446 177.452 174.990 0.027 0.000 1.236 119 C CA 0.884 59.855 59.018 -0.078 0.000 1.735 119 C CB -0.561 27.004 27.740 -0.292 0.000 2.031 119 C HN 0.553 nan 8.230 nan 0.000 0.474 120 D N -0.889 119.497 120.400 -0.024 0.000 2.178 120 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 120 D C 1.752 178.040 176.300 -0.019 0.000 0.974 120 D CA 1.296 55.281 54.000 -0.024 0.000 0.841 120 D CB -0.572 40.199 40.800 -0.048 0.000 0.953 120 D HN 0.653 nan 8.370 nan 0.000 0.478 121 H N -0.398 118.586 119.070 -0.143 0.000 2.293 121 H HA -0.159 4.396 4.556 -0.001 0.000 0.300 121 H C 1.695 176.896 175.328 -0.211 0.000 1.082 121 H CA 1.721 57.629 56.048 -0.235 0.000 1.308 121 H CB -0.338 29.212 29.762 -0.354 0.000 1.375 121 H HN 0.121 nan 8.280 nan 0.000 0.495 122 Y N 0.545 120.827 120.300 -0.030 0.000 2.181 122 Y HA -0.129 4.421 4.550 0.000 0.000 0.288 122 Y C 2.793 178.639 175.900 -0.090 0.000 1.146 122 Y CA 1.565 59.625 58.100 -0.067 0.000 1.164 122 Y CB -0.183 38.286 38.460 0.016 0.000 0.982 122 Y HN 0.148 nan 8.280 nan 0.000 0.515 123 R N -0.335 120.209 120.500 0.072 0.000 2.091 123 R HA -0.186 4.153 4.340 -0.000 0.000 0.238 123 R C 2.503 178.780 176.300 -0.038 0.000 1.136 123 R CA 1.236 57.346 56.100 0.017 0.000 0.959 123 R CB -0.721 29.581 30.300 0.005 0.000 0.856 123 R HN 0.339 nan 8.270 nan 0.000 0.437 124 A N 1.288 124.055 122.820 -0.088 0.000 1.902 124 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 124 A C 2.167 179.665 177.584 -0.142 0.000 1.181 124 A CA 1.255 53.222 52.037 -0.117 0.000 0.623 124 A CB -0.461 18.452 19.000 -0.145 0.000 0.818 124 A HN 0.187 nan 8.150 nan 0.000 0.443 125 I N -0.493 119.953 120.570 -0.207 0.000 2.315 125 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 125 I C 2.228 178.285 176.117 -0.099 0.000 1.117 125 I CA 1.084 62.267 61.300 -0.195 0.000 1.404 125 I CB -0.324 37.508 38.000 -0.280 0.000 1.071 125 I HN 0.280 nan 8.210 nan 0.000 0.419 126 I N 0.690 121.230 120.570 -0.049 0.000 2.286 126 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 126 I C 2.432 178.532 176.117 -0.027 0.000 1.115 126 I CA 1.442 62.735 61.300 -0.012 0.000 1.392 126 I CB -0.473 37.539 38.000 0.021 0.000 1.065 126 I HN 0.361 nan 8.210 nan 0.000 0.418 127 D N 0.707 121.084 120.400 -0.039 0.000 2.097 127 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 127 D C 2.097 178.368 176.300 -0.048 0.000 0.989 127 D CA 1.580 55.556 54.000 -0.039 0.000 0.827 127 D CB 0.163 40.938 40.800 -0.043 0.000 0.966 127 D HN 0.203 nan 8.370 nan 0.000 0.456 128 S N -0.097 115.563 115.700 -0.066 0.000 2.447 128 S HA 0.018 4.488 4.470 -0.000 0.000 0.233 128 S C 1.938 176.496 174.600 -0.071 0.000 1.006 128 S CA 0.708 58.864 58.200 -0.074 0.000 0.957 128 S CB 0.024 63.166 63.200 -0.096 0.000 0.773 128 S HN 0.446 nan 8.310 nan 0.000 0.507 129 A N 1.179 123.963 122.820 -0.060 0.000 2.167 129 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 129 A C 0.819 178.384 177.584 -0.031 0.000 1.151 129 A CA 0.593 52.601 52.037 -0.048 0.000 0.735 129 A CB -0.457 18.524 19.000 -0.031 0.000 0.802 129 A HN 0.386 nan 8.150 nan 0.000 0.467 130 D N -2.096 118.286 120.400 -0.029 0.000 2.810 130 D HA -0.077 4.563 4.640 -0.000 0.000 0.224 130 D C 1.017 177.312 176.300 -0.009 0.000 1.222 130 D CA 1.923 55.910 54.000 -0.021 0.000 0.698 130 D CB -1.325 39.458 40.800 -0.028 0.000 0.961 130 D HN 1.166 nan 8.370 nan 0.000 0.403 131 G N -0.555 108.245 108.800 -0.001 0.000 2.339 131 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.209 131 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.209 131 G C 0.100 175.011 174.900 0.019 0.000 1.015 131 G CA -0.124 44.982 45.100 0.009 0.000 0.635 131 G HN 0.486 nan 8.290 nan 0.000 0.499 132 L N 3.443 124.679 121.223 0.021 0.000 2.410 132 L HA 0.453 4.793 4.340 -0.000 0.000 0.273 132 L C -1.698 175.196 176.870 0.041 0.000 1.144 132 L CA -1.221 53.642 54.840 0.038 0.000 0.863 132 L CB 0.346 42.430 42.059 0.042 0.000 1.140 132 L HN 0.004 nan 8.230 nan 0.000 0.463 133 P HA 0.112 nan 4.420 nan 0.000 0.269 133 P C -0.610 176.734 177.300 0.074 0.000 1.209 133 P CA -0.346 62.789 63.100 0.059 0.000 0.776 133 P CB 0.547 32.287 31.700 0.066 0.000 0.876 134 M N 3.847 123.492 119.600 0.076 0.000 2.264 134 M HA 0.328 4.807 4.480 -0.000 0.000 0.352 134 M C -1.446 174.930 176.300 0.126 0.000 1.173 134 M CA -0.321 55.042 55.300 0.105 0.000 1.075 134 M CB 0.972 33.641 32.600 0.115 0.000 1.621 134 M HN -0.040 nan 8.290 nan 0.000 0.457 135 V N 6.387 126.409 119.914 0.179 0.000 2.293 135 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 135 V C -0.315 175.926 176.094 0.245 0.000 1.021 135 V CA -0.895 61.532 62.300 0.213 0.000 0.815 135 V CB 0.822 32.812 31.823 0.279 0.000 1.025 135 V HN 0.761 nan 8.190 nan 0.000 0.448 136 V N 5.055 125.056 119.914 0.145 0.000 2.763 136 V HA 0.047 4.166 4.120 -0.000 0.000 0.306 136 V C -0.244 176.027 176.094 0.294 0.000 1.059 136 V CA 0.118 62.488 62.300 0.116 0.000 1.138 136 V CB 0.521 32.251 31.823 -0.156 0.000 0.940 136 V HN 0.714 nan 8.190 nan 0.000 0.489 137 Y N 5.110 125.561 120.300 0.252 0.000 2.376 137 Y HA 0.453 5.003 4.550 -0.001 0.000 0.326 137 Y C -0.189 175.813 175.900 0.169 0.000 0.970 137 Y CA -2.103 56.128 58.100 0.218 0.000 1.248 137 Y CB 1.143 39.800 38.460 0.328 0.000 1.117 137 Y HN 0.747 nan 8.280 nan 0.000 0.476 138 N N 6.374 125.263 118.700 0.315 0.000 2.457 138 N HA 0.341 5.081 4.740 -0.000 0.000 0.250 138 N C -1.265 174.242 175.510 -0.005 0.000 0.982 138 N CA -0.133 52.976 53.050 0.097 0.000 0.941 138 N CB 0.428 38.965 38.487 0.083 0.000 1.120 138 N HN 0.725 nan 8.380 nan 0.000 0.505 139 I N 5.987 126.464 120.570 -0.154 0.000 2.854 139 I HA 0.336 4.506 4.170 -0.000 0.000 0.280 139 I C -1.835 174.205 176.117 -0.127 0.000 1.482 139 I CA -1.798 59.384 61.300 -0.197 0.000 0.884 139 I CB 1.315 39.052 38.000 -0.438 0.000 1.600 139 I HN 0.449 nan 8.210 nan 0.000 0.585 140 P HA -0.239 nan 4.420 nan 0.000 0.216 140 P C 1.438 178.729 177.300 -0.014 0.000 1.150 140 P CA 1.927 65.017 63.100 -0.017 0.000 0.843 140 P CB 0.201 31.910 31.700 0.014 0.000 0.787 141 A N -0.155 122.676 122.820 0.019 0.000 1.940 141 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 141 A C 2.412 179.980 177.584 -0.026 0.000 1.176 141 A CA 1.669 53.725 52.037 0.032 0.000 0.631 141 A CB -1.335 17.742 19.000 0.128 0.000 0.814 141 A HN 0.197 nan 8.150 nan 0.000 0.446 142 L N -0.842 120.333 121.223 -0.081 0.000 2.316 142 L HA -0.011 4.328 4.340 -0.000 0.000 0.207 142 L C 2.827 179.544 176.870 -0.254 0.000 1.070 142 L CA 1.108 55.852 54.840 -0.160 0.000 0.820 142 L CB -0.365 41.584 42.059 -0.183 0.000 0.992 142 L HN 0.537 nan 8.230 nan 0.000 0.466 143 S N -0.244 115.321 115.700 -0.226 0.000 2.414 143 S HA 0.026 4.496 4.470 -0.000 0.000 0.227 143 S C 1.711 176.295 174.600 -0.026 0.000 1.022 143 S CA 0.794 58.891 58.200 -0.171 0.000 0.958 143 S CB 0.111 63.273 63.200 -0.064 0.000 0.797 143 S HN 0.518 nan 8.310 nan 0.000 0.493 144 G N 0.236 109.017 108.800 -0.031 0.000 2.179 144 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.260 144 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.260 144 G C 0.036 174.954 174.900 0.029 0.000 0.977 144 G CA 0.124 45.222 45.100 -0.003 0.000 0.641 144 G HN 0.826 nan 8.290 nan 0.000 0.533 145 V N 1.520 121.461 119.914 0.045 0.000 2.368 145 V HA 0.377 4.497 4.120 -0.000 0.000 0.266 145 V C 0.457 176.565 176.094 0.023 0.000 1.045 145 V CA -0.238 62.097 62.300 0.059 0.000 0.899 145 V CB 1.245 33.108 31.823 0.065 0.000 1.006 145 V HN 0.300 nan 8.190 nan 0.000 0.470 146 K N 6.491 126.906 120.400 0.026 0.000 2.299 146 K HA 0.540 4.860 4.320 -0.000 0.000 0.268 146 K C -0.815 175.786 176.600 0.001 0.000 1.075 146 K CA -0.320 55.974 56.287 0.012 0.000 0.936 146 K CB 1.128 33.635 32.500 0.011 0.000 1.228 146 K HN 0.531 nan 8.250 nan 0.000 0.454 147 L N 2.272 123.488 121.223 -0.011 0.000 2.357 147 L HA 0.276 4.616 4.340 -0.000 0.000 0.273 147 L C 1.088 177.921 176.870 -0.062 0.000 1.080 147 L CA -0.622 54.194 54.840 -0.039 0.000 0.803 147 L CB 1.148 43.195 42.059 -0.020 0.000 1.174 147 L HN 0.634 nan 8.230 nan 0.000 0.443 148 T N -1.159 113.327 114.554 -0.114 0.000 2.847 148 T HA 0.188 4.538 4.350 -0.000 0.000 0.279 148 T C 0.879 175.515 174.700 -0.108 0.000 0.984 148 T CA -0.752 61.284 62.100 -0.106 0.000 0.988 148 T CB 1.244 70.035 68.868 -0.129 0.000 1.040 148 T HN 0.461 nan 8.240 nan 0.000 0.528 149 L N 0.641 121.809 121.223 -0.092 0.000 2.042 149 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 149 L C 2.010 178.838 176.870 -0.070 0.000 1.076 149 L CA 1.965 56.757 54.840 -0.080 0.000 0.749 149 L CB -1.157 40.841 42.059 -0.102 0.000 0.893 149 L HN 0.720 nan 8.230 nan 0.000 0.432 150 D N -0.755 119.588 120.400 -0.095 0.000 2.149 150 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 150 D C 2.160 178.377 176.300 -0.137 0.000 0.990 150 D CA 1.412 55.358 54.000 -0.091 0.000 0.839 150 D CB -0.056 40.682 40.800 -0.103 0.000 0.948 150 D HN 0.579 nan 8.370 nan 0.000 0.460 151 Q N -0.003 119.628 119.800 -0.282 0.000 2.079 151 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 151 Q C 2.505 178.468 176.000 -0.061 0.000 0.974 151 Q CA 0.626 56.121 55.803 -0.514 0.000 0.840 151 Q CB 0.084 28.298 28.738 -0.872 0.000 0.898 151 Q HN 0.342 nan 8.270 nan 0.000 0.430 152 I N 1.212 121.759 120.570 -0.039 0.000 2.226 152 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 152 I C 1.759 177.893 176.117 0.029 0.000 1.100 152 I CA 0.710 62.018 61.300 0.014 0.000 1.374 152 I CB -0.312 37.687 38.000 -0.002 0.000 1.057 152 I HN 0.223 nan 8.210 nan 0.000 0.413 153 N N 0.426 119.167 118.700 0.068 0.000 2.120 153 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 153 N C 1.856 177.434 175.510 0.113 0.000 1.024 153 N CA 1.739 54.888 53.050 0.166 0.000 0.852 153 N CB -0.602 37.995 38.487 0.184 0.000 1.003 153 N HN 0.297 nan 8.380 nan 0.000 0.424 154 T N 1.858 116.490 114.554 0.130 0.000 2.777 154 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 154 T C 2.117 176.902 174.700 0.142 0.000 1.040 154 T CA 0.566 62.777 62.100 0.184 0.000 1.141 154 T CB -0.140 68.937 68.868 0.348 0.000 0.868 154 T HN 0.132 nan 8.240 nan 0.000 0.444 155 L N 1.375 122.684 121.223 0.143 0.000 2.027 155 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 155 L C 2.693 179.495 176.870 -0.113 0.000 1.074 155 L CA 1.085 55.915 54.840 -0.017 0.000 0.745 155 L CB -0.767 41.247 42.059 -0.075 0.000 0.898 155 L HN 0.253 nan 8.230 nan 0.000 0.433 156 V N -3.682 116.150 119.914 -0.136 0.000 3.305 156 V HA -0.070 4.050 4.120 -0.000 0.000 0.269 156 V C 1.849 177.833 176.094 -0.183 0.000 1.157 156 V CA 1.499 63.673 62.300 -0.210 0.000 1.157 156 V CB -1.138 30.469 31.823 -0.360 0.000 0.772 156 V HN 0.576 nan 8.190 nan 0.000 0.498 157 T N -2.299 112.200 114.554 -0.093 0.000 3.092 157 T HA 0.419 4.768 4.350 -0.000 0.000 0.258 157 T C 0.447 175.146 174.700 -0.000 0.000 1.031 157 T CA -0.298 61.789 62.100 -0.022 0.000 0.925 157 T CB -0.353 68.549 68.868 0.056 0.000 1.036 157 T HN 0.393 nan 8.240 nan 0.000 0.544 158 L N 2.192 123.406 121.223 -0.014 0.000 2.456 158 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 158 L C -2.169 174.702 176.870 0.002 0.000 1.189 158 L CA -2.140 52.700 54.840 0.000 0.000 0.846 158 L CB 0.147 42.203 42.059 -0.006 0.000 1.111 158 L HN -0.024 nan 8.230 nan 0.000 0.475 159 P HA 0.061 nan 4.420 nan 0.000 0.264 159 P C 0.627 177.935 177.300 0.013 0.000 1.193 159 P CA 0.696 63.802 63.100 0.011 0.000 0.763 159 P CB 0.782 32.490 31.700 0.012 0.000 0.810 160 G N 1.342 110.150 108.800 0.013 0.000 2.213 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 160 G C 0.007 174.920 174.900 0.023 0.000 0.991 160 G CA -0.259 44.852 45.100 0.018 0.000 0.629 160 G HN 0.521 nan 8.290 nan 0.000 0.517 161 V N 1.384 121.304 119.914 0.009 0.000 2.432 161 V HA 0.613 4.732 4.120 -0.000 0.000 0.271 161 V C 1.391 177.484 176.094 -0.002 0.000 1.046 161 V CA 0.874 63.175 62.300 0.002 0.000 0.945 161 V CB 1.327 33.126 31.823 -0.041 0.000 0.992 161 V HN 0.662 nan 8.190 nan 0.000 0.471 162 G N 3.004 111.816 108.800 0.020 0.000 3.228 162 G HA2 0.653 4.612 3.960 -0.000 0.000 0.245 162 G HA3 0.653 4.612 3.960 -0.000 0.000 0.245 162 G C 0.170 175.074 174.900 0.007 0.000 1.051 162 G CA 0.714 45.823 45.100 0.016 0.000 0.809 162 G HN 1.032 nan 8.290 nan 0.000 0.531 163 A N -0.688 122.146 122.820 0.022 0.000 2.540 163 A HA 0.727 5.046 4.320 -0.000 0.000 0.291 163 A C -2.414 175.199 177.584 0.049 0.000 1.083 163 A CA -0.591 51.456 52.037 0.016 0.000 0.650 163 A CB 1.285 20.343 19.000 0.097 0.000 1.292 163 A HN 0.812 nan 8.150 nan 0.000 0.435 164 L N 0.172 121.426 121.223 0.051 0.000 2.470 164 L HA 0.661 5.000 4.340 -0.000 0.000 0.268 164 L C -0.574 176.404 176.870 0.179 0.000 0.964 164 L CA -0.232 54.661 54.840 0.087 0.000 0.839 164 L CB 1.841 43.906 42.059 0.010 0.000 1.276 164 L HN 0.716 nan 8.230 nan 0.000 0.403 165 K N 3.615 124.124 120.400 0.182 0.000 2.264 165 K HA 0.347 4.666 4.320 -0.000 0.000 0.277 165 K C -0.746 175.929 176.600 0.125 0.000 1.067 165 K CA -0.462 55.884 56.287 0.098 0.000 0.900 165 K CB 0.949 33.262 32.500 -0.313 0.000 1.124 165 K HN 0.713 nan 8.250 nan 0.000 0.469 166 Q N 3.197 123.052 119.800 0.091 0.000 2.503 166 Q HA 0.138 4.478 4.340 -0.000 0.000 0.227 166 Q C -1.169 174.836 176.000 0.010 0.000 1.109 166 Q CA -0.077 55.767 55.803 0.068 0.000 0.922 166 Q CB 0.906 29.678 28.738 0.056 0.000 1.249 166 Q HN 0.457 nan 8.270 nan 0.000 0.530 167 T N 2.545 117.084 114.554 -0.025 0.000 3.579 167 T HA 0.366 4.716 4.350 -0.000 0.000 0.328 167 T C -0.865 173.695 174.700 -0.234 0.000 1.481 167 T CA -0.108 61.816 62.100 -0.294 0.000 1.144 167 T CB -0.179 68.508 68.868 -0.301 0.000 1.205 167 T HN 0.424 nan 8.240 nan 0.000 0.812 168 S N 0.652 116.351 115.700 -0.000 0.000 2.536 168 S HA 0.596 5.066 4.470 -0.000 0.000 0.271 168 S C 1.027 175.835 174.600 0.346 0.000 1.134 168 S CA -0.561 57.774 58.200 0.226 0.000 0.897 168 S CB 1.485 64.756 63.200 0.119 0.000 1.094 168 S HN 0.472 nan 8.310 nan 0.000 0.473 169 G N 1.501 110.505 108.800 0.340 0.000 3.042 169 G HA2 0.114 4.074 3.960 -0.000 0.000 0.212 169 G HA3 0.114 4.074 3.960 -0.000 0.000 0.212 169 G C 0.088 175.064 174.900 0.127 0.000 1.166 169 G CA -0.116 45.104 45.100 0.201 0.000 0.767 169 G HN 0.683 nan 8.290 nan 0.000 0.546 170 D N 1.074 121.550 120.400 0.125 0.000 2.402 170 D HA 0.135 4.774 4.640 -0.000 0.000 0.235 170 D C 1.422 177.789 176.300 0.111 0.000 1.226 170 D CA -0.304 53.760 54.000 0.107 0.000 0.918 170 D CB 0.426 41.280 40.800 0.090 0.000 1.043 170 D HN 0.079 nan 8.370 nan 0.000 0.506 171 L N 3.593 124.886 121.223 0.116 0.000 2.599 171 L HA -0.072 4.268 4.340 -0.000 0.000 0.230 171 L C 1.519 178.484 176.870 0.158 0.000 1.141 171 L CA 0.084 54.990 54.840 0.110 0.000 0.877 171 L CB -0.308 41.801 42.059 0.084 0.000 1.009 171 L HN 0.443 nan 8.230 nan 0.000 0.447 172 Y N 1.208 121.520 120.300 0.019 0.000 2.206 172 Y HA -0.209 4.341 4.550 -0.000 0.000 0.292 172 Y C 2.568 178.477 175.900 0.015 0.000 1.123 172 Y CA 1.470 59.578 58.100 0.012 0.000 1.142 172 Y CB -0.402 38.064 38.460 0.010 0.000 1.006 172 Y HN 0.162 nan 8.280 nan 0.000 0.518 173 Q N -0.476 119.302 119.800 -0.036 0.000 2.124 173 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 173 Q C 2.283 178.253 176.000 -0.050 0.000 0.977 173 Q CA 2.004 57.722 55.803 -0.143 0.000 0.850 173 Q CB -0.197 28.497 28.738 -0.074 0.000 0.901 173 Q HN 0.527 nan 8.270 nan 0.000 0.429 174 M N 0.729 120.340 119.600 0.017 0.000 2.108 174 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 174 M C 1.874 178.186 176.300 0.021 0.000 1.066 174 M CA 1.736 57.052 55.300 0.027 0.000 1.107 174 M CB -0.239 32.388 32.600 0.044 0.000 1.356 174 M HN 0.173 nan 8.290 nan 0.000 0.406 175 E N -0.221 120.003 120.200 0.040 0.000 2.106 175 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 175 E C 1.910 178.518 176.600 0.012 0.000 0.984 175 E CA 1.537 57.964 56.400 0.045 0.000 0.806 175 E CB -0.226 29.536 29.700 0.103 0.000 0.750 175 E HN 0.734 nan 8.360 nan 0.000 0.458 176 Q N 0.050 119.826 119.800 -0.041 0.000 2.124 176 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 176 Q C 2.452 178.419 176.000 -0.055 0.000 0.977 176 Q CA 1.386 57.133 55.803 -0.093 0.000 0.850 176 Q CB -0.054 28.541 28.738 -0.237 0.000 0.901 176 Q HN 0.351 nan 8.270 nan 0.000 0.429 177 I N 0.346 120.908 120.570 -0.013 0.000 2.226 177 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 177 I C 2.521 178.692 176.117 0.090 0.000 1.100 177 I CA 0.952 62.299 61.300 0.079 0.000 1.374 177 I CB -0.157 37.887 38.000 0.073 0.000 1.057 177 I HN 0.102 nan 8.210 nan 0.000 0.413 178 R N 1.586 122.108 120.500 0.036 0.000 2.081 178 R HA -0.188 4.151 4.340 -0.000 0.000 0.235 178 R C 2.271 178.569 176.300 -0.004 0.000 1.131 178 R CA 1.672 57.786 56.100 0.023 0.000 0.960 178 R CB -0.574 29.730 30.300 0.006 0.000 0.856 178 R HN 0.201 nan 8.270 nan 0.000 0.436 179 R N -0.108 120.377 120.500 -0.026 0.000 2.081 179 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 179 R C 1.929 178.164 176.300 -0.108 0.000 1.131 179 R CA 1.890 57.962 56.100 -0.048 0.000 0.960 179 R CB -0.265 30.014 30.300 -0.035 0.000 0.856 179 R HN 0.295 nan 8.270 nan 0.000 0.436 180 E N -0.395 119.689 120.200 -0.193 0.000 2.216 180 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 180 E C -0.329 175.886 176.600 -0.642 0.000 0.988 180 E CA 0.974 57.118 56.400 -0.426 0.000 0.834 180 E CB 0.328 29.696 29.700 -0.553 0.000 0.772 180 E HN 0.450 nan 8.360 nan 0.000 0.479 181 H N -0.177 118.881 119.070 -0.021 0.000 2.448 181 H HA 0.173 4.728 4.556 -0.000 0.000 0.237 181 H C -1.987 173.327 175.328 -0.023 0.000 1.391 181 H CA -1.630 54.406 56.048 -0.020 0.000 1.477 181 H CB 1.140 30.889 29.762 -0.023 0.000 1.520 181 H HN 0.171 nan 8.280 nan 0.000 0.502 182 P HA -0.156 nan 4.420 nan 0.000 0.218 182 P C 0.473 177.784 177.300 0.020 0.000 1.146 182 P CA 1.204 64.314 63.100 0.017 0.000 0.813 182 P CB 0.590 32.290 31.700 -0.000 0.000 0.778 183 D N -1.117 119.302 120.400 0.033 0.000 2.369 183 D HA 0.085 4.724 4.640 -0.000 0.000 0.211 183 D C 0.757 177.058 176.300 0.003 0.000 1.077 183 D CA -0.263 53.746 54.000 0.015 0.000 0.842 183 D CB -0.330 40.480 40.800 0.017 0.000 0.947 183 D HN 0.129 nan 8.370 nan 0.000 0.509 184 L N 1.614 122.848 121.223 0.018 0.000 2.455 184 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 184 L C -0.248 176.574 176.870 -0.080 0.000 1.174 184 L CA -0.043 54.781 54.840 -0.027 0.000 0.869 184 L CB 0.848 42.895 42.059 -0.020 0.000 1.130 184 L HN -0.274 nan 8.230 nan 0.000 0.474 185 V N 6.903 126.740 119.914 -0.128 0.000 2.470 185 V HA 0.132 4.252 4.120 -0.000 0.000 0.276 185 V C 0.012 175.903 176.094 -0.338 0.000 1.040 185 V CA -0.174 61.972 62.300 -0.257 0.000 1.008 185 V CB 0.825 32.478 31.823 -0.283 0.000 0.990 185 V HN 0.595 nan 8.190 nan 0.000 0.477 186 L N 7.851 128.866 121.223 -0.347 0.000 2.377 186 L HA 0.525 4.865 4.340 -0.000 0.000 0.270 186 L C -0.983 175.748 176.870 -0.232 0.000 0.991 186 L CA -0.264 54.436 54.840 -0.234 0.000 0.851 186 L CB 1.099 43.098 42.059 -0.101 0.000 1.218 186 L HN 0.510 nan 8.230 nan 0.000 0.420 187 Y N 2.994 123.288 120.300 -0.010 0.000 2.327 187 Y HA 0.329 4.879 4.550 -0.000 0.000 0.336 187 Y C 0.746 176.642 175.900 -0.006 0.000 1.035 187 Y CA -0.360 57.736 58.100 -0.006 0.000 1.165 187 Y CB 0.665 39.087 38.460 -0.062 0.000 1.181 187 Y HN 0.655 nan 8.280 nan 0.000 0.494 188 N N 1.503 120.319 118.700 0.193 0.000 2.475 188 N HA 0.159 4.899 4.740 -0.000 0.000 0.267 188 N C 1.011 176.602 175.510 0.135 0.000 1.169 188 N CA 0.440 53.580 53.050 0.150 0.000 0.947 188 N CB 0.878 39.457 38.487 0.154 0.000 1.061 188 N HN 0.884 nan 8.380 nan 0.000 0.466 189 G N 2.254 111.071 108.800 0.028 0.000 2.545 189 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 189 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 189 G C -0.334 174.486 174.900 -0.133 0.000 1.144 189 G CA 0.205 45.232 45.100 -0.123 0.000 0.813 189 G HN 0.542 nan 8.290 nan 0.000 0.531 190 Y N 2.226 122.579 120.300 0.089 0.000 2.477 190 Y HA 0.277 4.827 4.550 -0.000 0.000 0.349 190 Y C 0.840 176.829 175.900 0.148 0.000 0.977 190 Y CA -1.637 56.516 58.100 0.088 0.000 1.214 190 Y CB 1.192 39.702 38.460 0.083 0.000 1.124 190 Y HN 0.042 nan 8.280 nan 0.000 0.521 191 D N 0.914 121.484 120.400 0.284 0.000 2.133 191 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 191 D C 1.763 178.293 176.300 0.382 0.000 0.997 191 D CA 1.655 55.832 54.000 0.294 0.000 0.840 191 D CB 0.024 40.941 40.800 0.195 0.000 0.947 191 D HN 0.684 nan 8.370 nan 0.000 0.452 192 E N 1.143 121.510 120.200 0.278 0.000 2.463 192 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 192 E C 1.646 178.360 176.600 0.191 0.000 1.045 192 E CA 0.598 57.118 56.400 0.199 0.000 0.872 192 E CB -0.473 29.287 29.700 0.100 0.000 0.797 192 E HN 0.587 nan 8.360 nan 0.000 0.538 193 I N -4.640 116.079 120.570 0.249 0.000 3.994 193 I HA 0.288 4.458 4.170 -0.000 0.000 0.323 193 I C 1.314 177.579 176.117 0.246 0.000 1.501 193 I CA -0.758 60.663 61.300 0.201 0.000 1.112 193 I CB -0.254 37.837 38.000 0.152 0.000 1.254 193 I HN -0.247 nan 8.210 nan 0.000 0.495 194 F N 3.207 123.269 119.950 0.187 0.000 2.063 194 F HA -0.337 4.189 4.527 -0.000 0.000 0.298 194 F C 2.507 178.388 175.800 0.135 0.000 1.105 194 F CA 2.688 60.804 58.000 0.193 0.000 1.215 194 F CB -0.212 38.976 39.000 0.313 0.000 0.972 194 F HN 0.238 nan 8.300 nan 0.000 0.483 195 A N -0.718 122.214 122.820 0.187 0.000 1.865 195 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 195 A C 2.357 179.919 177.584 -0.036 0.000 1.191 195 A CA 2.324 54.382 52.037 0.034 0.000 0.623 195 A CB -1.382 17.680 19.000 0.103 0.000 0.826 195 A HN 0.465 nan 8.150 nan 0.000 0.444 196 S N -0.535 115.176 115.700 0.017 0.000 2.402 196 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 196 S C 2.019 176.610 174.600 -0.014 0.000 1.021 196 S CA 0.986 59.191 58.200 0.009 0.000 0.974 196 S CB -0.557 62.666 63.200 0.037 0.000 0.800 196 S HN 0.787 nan 8.310 nan 0.000 0.484 197 G N 1.705 110.489 108.800 -0.026 0.000 2.402 197 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 197 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 197 G C 1.317 176.150 174.900 -0.113 0.000 1.162 197 G CA 0.456 45.532 45.100 -0.040 0.000 0.777 197 G HN 0.424 nan 8.290 nan 0.000 0.539 198 L N -0.372 120.710 121.223 -0.235 0.000 2.046 198 L HA -0.020 4.319 4.340 -0.000 0.000 0.208 198 L C 2.698 179.498 176.870 -0.117 0.000 1.077 198 L CA 0.513 55.213 54.840 -0.234 0.000 0.747 198 L CB -0.440 41.408 42.059 -0.352 0.000 0.896 198 L HN 0.217 nan 8.230 nan 0.000 0.432 199 L N 0.355 121.526 121.223 -0.086 0.000 2.083 199 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 199 L C 2.530 179.386 176.870 -0.024 0.000 1.083 199 L CA 1.948 56.762 54.840 -0.043 0.000 0.752 199 L CB -0.612 41.432 42.059 -0.025 0.000 0.899 199 L HN 0.150 nan 8.230 nan 0.000 0.433 200 A N -1.719 121.090 122.820 -0.018 0.000 2.066 200 A HA 0.335 4.654 4.320 -0.000 0.000 0.218 200 A C 1.878 179.463 177.584 0.001 0.000 1.157 200 A CA 1.169 53.210 52.037 0.006 0.000 0.670 200 A CB -0.489 18.526 19.000 0.026 0.000 0.804 200 A HN 0.686 nan 8.150 nan 0.000 0.453 201 G N -2.860 105.927 108.800 -0.021 0.000 3.246 201 G HA2 0.314 4.274 3.960 -0.000 0.000 0.218 201 G HA3 0.314 4.274 3.960 -0.000 0.000 0.218 201 G C 0.410 175.286 174.900 -0.040 0.000 0.978 201 G CA 0.063 45.150 45.100 -0.022 0.000 0.825 201 G HN 1.205 nan 8.290 nan 0.000 0.546 202 A N 1.146 123.933 122.820 -0.055 0.000 2.483 202 A HA 0.498 4.817 4.320 -0.000 0.000 0.238 202 A C 0.942 178.471 177.584 -0.092 0.000 1.070 202 A CA 1.122 53.116 52.037 -0.071 0.000 0.770 202 A CB 0.250 19.206 19.000 -0.072 0.000 1.008 202 A HN 0.669 nan 8.150 nan 0.000 0.497 203 D N -0.096 120.248 120.400 -0.093 0.000 2.501 203 D HA 0.441 5.081 4.640 -0.000 0.000 0.224 203 D C 0.395 176.674 176.300 -0.035 0.000 1.202 203 D CA 0.573 54.528 54.000 -0.075 0.000 0.829 203 D CB 0.072 40.825 40.800 -0.078 0.000 1.023 203 D HN 0.894 nan 8.370 nan 0.000 0.499 204 G N -1.779 107.023 108.800 0.003 0.000 2.348 204 G HA2 0.577 4.536 3.960 -0.000 0.000 0.296 204 G HA3 0.577 4.536 3.960 -0.000 0.000 0.296 204 G C -1.054 174.066 174.900 0.367 0.000 1.258 204 G CA -0.344 44.874 45.100 0.196 0.000 0.868 204 G HN 0.594 nan 8.290 nan 0.000 0.488 205 G N -1.333 107.821 108.800 0.590 0.000 2.601 205 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 205 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 205 G C -1.900 173.206 174.900 0.343 0.000 1.456 205 G CA -0.571 44.870 45.100 0.569 0.000 0.804 205 G HN 0.836 nan 8.290 nan 0.000 0.499 206 I N 0.393 120.936 120.570 -0.045 0.000 2.534 206 I HA 0.700 4.870 4.170 -0.000 0.000 0.288 206 I C 0.228 175.868 176.117 -0.794 0.000 1.077 206 I CA -0.574 60.429 61.300 -0.495 0.000 1.051 206 I CB 2.469 40.021 38.000 -0.747 0.000 1.234 206 I HN 0.875 nan 8.210 nan 0.000 0.425 207 G N 2.455 110.382 108.800 -1.456 0.000 2.698 207 G HA2 0.376 4.335 3.960 -0.000 0.000 0.293 207 G HA3 0.376 4.335 3.960 -0.000 0.000 0.293 207 G C -0.066 174.313 174.900 -0.869 0.000 1.437 207 G CA -0.321 44.060 45.100 -1.198 0.000 0.852 207 G HN 0.481 nan 8.290 nan 0.000 0.499 208 S N -0.187 115.286 115.700 -0.379 0.000 2.368 208 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 208 S C 2.682 177.235 174.600 -0.077 0.000 1.029 208 S CA 2.015 60.125 58.200 -0.149 0.000 0.988 208 S CB -0.283 62.954 63.200 0.061 0.000 0.838 208 S HN 1.085 nan 8.310 nan 0.000 0.462 209 T N -0.698 113.835 114.554 -0.034 0.000 3.113 209 T HA -0.029 4.321 4.350 -0.000 0.000 0.263 209 T C 1.303 176.120 174.700 0.195 0.000 1.143 209 T CA 0.551 62.712 62.100 0.101 0.000 1.090 209 T CB -0.559 68.414 68.868 0.176 0.000 0.922 209 T HN 0.301 nan 8.240 nan 0.000 0.521 210 Y N 2.423 122.627 120.300 -0.160 0.000 2.403 210 Y HA 0.050 4.600 4.550 -0.000 0.000 0.291 210 Y C 2.409 178.271 175.900 -0.064 0.000 1.143 210 Y CA -0.473 57.531 58.100 -0.160 0.000 1.257 210 Y CB -1.069 37.241 38.460 -0.249 0.000 0.984 210 Y HN 0.353 nan 8.280 nan 0.000 0.550 211 N N 0.689 119.471 118.700 0.137 0.000 2.149 211 N HA -0.151 4.588 4.740 -0.000 0.000 0.188 211 N C 1.725 177.389 175.510 0.256 0.000 1.019 211 N CA 1.955 55.103 53.050 0.162 0.000 0.857 211 N CB -0.202 38.351 38.487 0.111 0.000 0.997 211 N HN 0.560 nan 8.380 nan 0.000 0.426 212 I N -2.428 118.245 120.570 0.171 0.000 3.941 212 I HA 0.229 4.399 4.170 -0.000 0.000 0.321 212 I C 1.074 177.141 176.117 -0.082 0.000 1.284 212 I CA 0.223 61.645 61.300 0.202 0.000 1.226 212 I CB 0.187 38.277 38.000 0.149 0.000 1.045 212 I HN -0.082 nan 8.210 nan 0.000 0.420 213 M N -0.506 118.869 119.600 -0.375 0.000 4.494 213 M HA 0.515 4.995 4.480 -0.000 0.000 0.546 213 M C 0.782 176.514 176.300 -0.946 0.000 2.065 213 M CA -0.129 54.449 55.300 -1.204 0.000 0.552 213 M CB -0.023 32.090 32.600 -0.812 0.000 1.463 213 M HN -0.060 nan 8.290 nan 0.000 0.596 214 G N 1.631 110.152 108.800 -0.465 0.000 2.475 214 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.220 214 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.220 214 G C 0.885 175.647 174.900 -0.229 0.000 1.125 214 G CA 1.466 46.433 45.100 -0.221 0.000 0.755 214 G HN 0.958 nan 8.290 nan 0.000 0.565 215 W N 0.754 122.005 121.300 -0.082 0.000 2.421 215 W HA 0.119 4.779 4.660 -0.001 0.000 0.270 215 W C 2.265 178.708 176.519 -0.127 0.000 1.233 215 W CA 0.496 57.784 57.345 -0.095 0.000 1.226 215 W CB -0.279 29.130 29.460 -0.084 0.000 1.121 215 W HN 0.034 nan 8.180 nan 0.000 0.579 216 R N -0.372 119.754 120.500 -0.623 0.000 2.075 216 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 216 R C 2.127 178.134 176.300 -0.488 0.000 1.126 216 R CA 1.909 57.706 56.100 -0.506 0.000 0.963 216 R CB -1.001 28.849 30.300 -0.750 0.000 0.858 216 R HN 0.264 nan 8.270 nan 0.000 0.435 217 Y N 1.052 121.059 120.300 -0.489 0.000 2.242 217 Y HA -0.166 4.383 4.550 -0.000 0.000 0.291 217 Y C 2.616 178.333 175.900 -0.304 0.000 1.137 217 Y CA 0.988 58.692 58.100 -0.659 0.000 1.181 217 Y CB -0.174 37.488 38.460 -1.331 0.000 0.989 217 Y HN 0.007 nan 8.280 nan 0.000 0.527 218 Q N -0.440 119.309 119.800 -0.085 0.000 2.167 218 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 218 Q C 2.566 178.600 176.000 0.057 0.000 0.970 218 Q CA 1.272 57.090 55.803 0.026 0.000 0.855 218 Q CB -0.767 27.994 28.738 0.037 0.000 0.911 218 Q HN 0.615 nan 8.270 nan 0.000 0.438 219 G N 0.852 109.667 108.800 0.025 0.000 2.408 219 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 219 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 219 G C 1.553 176.485 174.900 0.054 0.000 1.150 219 G CA 0.347 45.471 45.100 0.040 0.000 0.776 219 G HN 0.276 nan 8.290 nan 0.000 0.542 220 I N 0.332 120.945 120.570 0.073 0.000 2.252 220 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 220 I C 2.746 178.969 176.117 0.176 0.000 1.102 220 I CA 0.354 61.743 61.300 0.149 0.000 1.385 220 I CB -0.197 37.977 38.000 0.289 0.000 1.064 220 I HN 0.014 nan 8.210 nan 0.000 0.414 221 V N 1.125 121.180 119.914 0.235 0.000 2.287 221 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 221 V C 2.549 178.698 176.094 0.091 0.000 1.053 221 V CA 2.096 64.496 62.300 0.168 0.000 1.027 221 V CB -0.688 31.250 31.823 0.192 0.000 0.646 221 V HN 0.426 nan 8.190 nan 0.000 0.447 222 K N 0.091 120.539 120.400 0.081 0.000 2.026 222 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 222 K C 2.227 178.853 176.600 0.043 0.000 1.048 222 K CA 1.522 57.842 56.287 0.054 0.000 0.929 222 K CB -0.358 32.171 32.500 0.049 0.000 0.713 222 K HN 0.409 nan 8.250 nan 0.000 0.439 223 A N 1.540 124.388 122.820 0.047 0.000 1.865 223 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 223 A C 2.147 179.749 177.584 0.030 0.000 1.191 223 A CA 1.596 53.654 52.037 0.036 0.000 0.623 223 A CB -0.764 18.259 19.000 0.038 0.000 0.826 223 A HN 0.346 nan 8.150 nan 0.000 0.444 224 L N -0.900 120.342 121.223 0.033 0.000 2.141 224 L HA -0.166 4.173 4.340 -0.000 0.000 0.209 224 L C 2.618 179.496 176.870 0.014 0.000 1.094 224 L CA 1.784 56.635 54.840 0.018 0.000 0.763 224 L CB -0.414 41.649 42.059 0.008 0.000 0.908 224 L HN 0.476 nan 8.230 nan 0.000 0.437 225 K N 0.617 121.029 120.400 0.020 0.000 2.148 225 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 225 K C 1.515 178.124 176.600 0.014 0.000 1.050 225 K CA 1.254 57.551 56.287 0.016 0.000 0.942 225 K CB 0.159 32.673 32.500 0.023 0.000 0.724 225 K HN 0.364 nan 8.250 nan 0.000 0.446 226 E N -1.044 119.166 120.200 0.016 0.000 2.479 226 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 226 E C 0.471 177.078 176.600 0.011 0.000 1.049 226 E CA 0.324 56.732 56.400 0.013 0.000 0.870 226 E CB 0.633 30.342 29.700 0.015 0.000 0.944 226 E HN 0.537 nan 8.360 nan 0.000 0.492 227 G N 2.691 111.498 108.800 0.011 0.000 2.160 227 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.251 227 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.251 227 G C -0.064 174.842 174.900 0.010 0.000 1.008 227 G CA 0.370 45.475 45.100 0.008 0.000 0.724 227 G HN 0.281 nan 8.290 nan 0.000 0.514 228 D N 0.404 120.811 120.400 0.013 0.000 2.563 228 D HA 0.396 5.035 4.640 -0.000 0.000 0.222 228 D C 1.861 178.170 176.300 0.014 0.000 1.145 228 D CA -0.643 53.365 54.000 0.013 0.000 1.001 228 D CB -0.450 40.359 40.800 0.015 0.000 1.049 228 D HN 0.334 nan 8.370 nan 0.000 0.515 229 I N 1.325 121.902 120.570 0.012 0.000 2.226 229 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 229 I C 2.190 178.315 176.117 0.013 0.000 1.100 229 I CA 0.740 62.047 61.300 0.013 0.000 1.374 229 I CB -0.009 37.997 38.000 0.009 0.000 1.057 229 I HN 0.310 nan 8.210 nan 0.000 0.413 230 Q N 0.310 120.117 119.800 0.011 0.000 2.061 230 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 230 Q C 2.271 178.278 176.000 0.012 0.000 0.984 230 Q CA 2.121 57.930 55.803 0.011 0.000 0.846 230 Q CB -1.127 27.616 28.738 0.009 0.000 0.902 230 Q HN 0.464 nan 8.270 nan 0.000 0.421 231 T N 1.620 116.182 114.554 0.013 0.000 2.746 231 T HA -0.065 4.284 4.350 -0.000 0.000 0.267 231 T C 1.911 176.620 174.700 0.015 0.000 1.039 231 T CA 1.414 63.522 62.100 0.014 0.000 1.142 231 T CB -0.283 68.595 68.868 0.016 0.000 0.866 231 T HN 0.446 nan 8.240 nan 0.000 0.444 232 A N 1.499 124.332 122.820 0.022 0.000 1.877 232 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 232 A C 2.287 179.888 177.584 0.028 0.000 1.186 232 A CA 1.580 53.636 52.037 0.032 0.000 0.620 232 A CB -0.652 18.371 19.000 0.038 0.000 0.822 232 A HN 0.551 nan 8.150 nan 0.000 0.443 233 Q N -0.809 119.004 119.800 0.022 0.000 2.079 233 Q HA -0.166 4.173 4.340 -0.000 0.000 0.200 233 Q C 2.208 178.214 176.000 0.010 0.000 0.974 233 Q CA 1.334 57.149 55.803 0.020 0.000 0.840 233 Q CB -0.198 28.550 28.738 0.016 0.000 0.898 233 Q HN 0.488 nan 8.270 nan 0.000 0.430 234 K N 1.395 121.798 120.400 0.006 0.000 2.032 234 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 234 K C 1.965 178.556 176.600 -0.016 0.000 1.048 234 K CA 1.235 57.521 56.287 -0.001 0.000 0.927 234 K CB -0.356 32.146 32.500 0.003 0.000 0.712 234 K HN 0.224 nan 8.250 nan 0.000 0.441 235 L N 0.731 121.939 121.223 -0.026 0.000 2.046 235 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 235 L C 2.821 179.629 176.870 -0.104 0.000 1.077 235 L CA 1.407 56.202 54.840 -0.074 0.000 0.747 235 L CB -0.445 41.563 42.059 -0.084 0.000 0.896 235 L HN 0.232 nan 8.230 nan 0.000 0.432 236 Q N -0.183 119.590 119.800 -0.044 0.000 2.084 236 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 236 Q C 2.081 178.073 176.000 -0.013 0.000 0.978 236 Q CA 2.375 58.171 55.803 -0.013 0.000 0.844 236 Q CB -0.368 28.405 28.738 0.058 0.000 0.898 236 Q HN 0.342 nan 8.270 nan 0.000 0.426 237 T N 0.967 115.516 114.554 -0.008 0.000 2.720 237 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 237 T C 1.383 176.074 174.700 -0.015 0.000 1.037 237 T CA 1.425 63.523 62.100 -0.003 0.000 1.144 237 T CB -0.187 68.681 68.868 0.002 0.000 0.864 237 T HN 0.308 nan 8.240 nan 0.000 0.444 238 E N 0.520 120.699 120.200 -0.035 0.000 2.106 238 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 238 E C 2.556 179.120 176.600 -0.061 0.000 0.984 238 E CA 0.597 56.973 56.400 -0.040 0.000 0.806 238 E CB -0.651 29.022 29.700 -0.044 0.000 0.750 238 E HN 0.496 nan 8.360 nan 0.000 0.458 239 C N 1.365 120.599 119.300 -0.110 0.000 2.429 239 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 239 C C 2.342 177.328 174.990 -0.006 0.000 1.262 239 C CA 0.597 59.545 59.018 -0.116 0.000 1.733 239 C CB -1.085 26.517 27.740 -0.231 0.000 2.010 239 C HN 0.404 nan 8.230 nan 0.000 0.483 240 N N 0.855 119.561 118.700 0.009 0.000 2.309 240 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 240 N C 1.670 177.191 175.510 0.018 0.000 1.018 240 N CA 0.933 54.001 53.050 0.030 0.000 0.876 240 N CB -0.311 38.195 38.487 0.032 0.000 0.972 240 N HN 0.570 nan 8.380 nan 0.000 0.434 241 K N 0.098 120.503 120.400 0.009 0.000 2.097 241 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 241 K C 1.772 178.379 176.600 0.012 0.000 1.049 241 K CA 0.742 57.035 56.287 0.011 0.000 0.933 241 K CB -0.056 32.450 32.500 0.010 0.000 0.717 241 K HN -0.019 nan 8.250 nan 0.000 0.442 242 V N 1.678 121.599 119.914 0.011 0.000 2.307 242 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 242 V C 2.133 178.238 176.094 0.018 0.000 1.045 242 V CA 1.533 63.843 62.300 0.017 0.000 1.024 242 V CB -0.327 31.506 31.823 0.016 0.000 0.651 242 V HN 0.264 nan 8.190 nan 0.000 0.449 243 I N 0.123 120.711 120.570 0.031 0.000 2.286 243 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 243 I C 2.240 178.358 176.117 0.003 0.000 1.115 243 I CA 1.446 62.766 61.300 0.032 0.000 1.392 243 I CB -0.492 37.545 38.000 0.063 0.000 1.065 243 I HN 0.312 nan 8.210 nan 0.000 0.418 244 D N 0.784 121.185 120.400 0.002 0.000 2.104 244 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 244 D C 1.972 178.253 176.300 -0.032 0.000 0.994 244 D CA 1.225 55.219 54.000 -0.010 0.000 0.830 244 D CB -0.312 40.489 40.800 0.001 0.000 0.959 244 D HN 0.174 nan 8.370 nan 0.000 0.452 245 L N 0.425 121.629 121.223 -0.031 0.000 2.017 245 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 245 L C 2.112 178.900 176.870 -0.137 0.000 1.073 245 L CA 1.465 56.262 54.840 -0.071 0.000 0.745 245 L CB -0.594 41.448 42.059 -0.029 0.000 0.894 245 L HN 0.044 nan 8.230 nan 0.000 0.432 246 L N -0.893 120.280 121.223 -0.084 0.000 2.131 246 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 246 L C 2.539 179.337 176.870 -0.121 0.000 1.092 246 L CA 1.348 56.132 54.840 -0.093 0.000 0.759 246 L CB -0.533 41.505 42.059 -0.034 0.000 0.903 246 L HN 0.310 nan 8.230 nan 0.000 0.435 247 I N -0.305 120.208 120.570 -0.095 0.000 2.315 247 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 247 I C 2.488 178.535 176.117 -0.117 0.000 1.117 247 I CA 1.328 62.575 61.300 -0.089 0.000 1.404 247 I CB -0.180 37.786 38.000 -0.057 0.000 1.071 247 I HN 0.231 nan 8.210 nan 0.000 0.419 248 K N 0.127 120.427 120.400 -0.167 0.000 2.062 248 K HA -0.118 4.201 4.320 -0.000 0.000 0.205 248 K C 2.141 178.487 176.600 -0.425 0.000 1.051 248 K CA 1.944 58.097 56.287 -0.223 0.000 0.941 248 K CB -0.263 32.102 32.500 -0.226 0.000 0.719 248 K HN 0.441 nan 8.250 nan 0.000 0.440 249 T N -2.077 112.130 114.554 -0.579 0.000 2.985 249 T HA 0.117 4.466 4.350 -0.000 0.000 0.266 249 T C 0.844 175.439 174.700 -0.176 0.000 1.076 249 T CA 0.503 62.279 62.100 -0.539 0.000 1.135 249 T CB 0.141 68.755 68.868 -0.423 0.000 0.890 249 T HN 0.283 nan 8.240 nan 0.000 0.480 250 G N 0.398 109.108 108.800 -0.149 0.000 3.363 250 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.685 250 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.685 250 G C 0.189 175.005 174.900 -0.140 0.000 1.199 250 G CA -0.375 44.663 45.100 -0.103 0.000 0.946 250 G HN 0.274 nan 8.290 nan 0.000 0.558 251 I N 2.068 122.512 120.570 -0.210 0.000 2.076 251 I HA -0.159 4.011 4.170 -0.000 0.000 0.237 251 I C 2.641 178.732 176.117 -0.044 0.000 1.059 251 I CA 1.616 62.813 61.300 -0.171 0.000 1.317 251 I CB -0.408 37.446 38.000 -0.244 0.000 1.037 251 I HN 0.516 nan 8.210 nan 0.000 0.398 252 F N 1.537 121.399 119.950 -0.147 0.000 2.102 252 F HA -0.182 4.345 4.527 -0.001 0.000 0.298 252 F C 2.758 178.453 175.800 -0.175 0.000 1.105 252 F CA 1.445 59.325 58.000 -0.199 0.000 1.239 252 F CB -1.310 37.477 39.000 -0.355 0.000 0.991 252 F HN 0.150 nan 8.300 nan 0.000 0.474 253 R N 0.365 120.862 120.500 -0.005 0.000 2.115 253 R HA 0.015 4.355 4.340 -0.000 0.000 0.230 253 R C 2.408 178.703 176.300 -0.009 0.000 1.111 253 R CA 1.393 57.483 56.100 -0.016 0.000 0.976 253 R CB -1.521 28.773 30.300 -0.010 0.000 0.870 253 R HN 0.292 nan 8.270 nan 0.000 0.445 254 G N 2.045 110.837 108.800 -0.013 0.000 2.418 254 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 254 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 254 G C 1.566 176.474 174.900 0.014 0.000 1.158 254 G CA 0.590 45.687 45.100 -0.006 0.000 0.771 254 G HN 0.165 nan 8.290 nan 0.000 0.545 255 L N -0.055 121.183 121.223 0.025 0.000 2.017 255 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 255 L C 2.989 179.861 176.870 0.002 0.000 1.073 255 L CA 1.308 56.169 54.840 0.034 0.000 0.745 255 L CB -0.287 41.806 42.059 0.058 0.000 0.894 255 L HN 0.169 nan 8.230 nan 0.000 0.432 256 K N -0.712 119.676 120.400 -0.020 0.000 2.097 256 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 256 K C 2.061 178.610 176.600 -0.085 0.000 1.049 256 K CA 1.761 58.013 56.287 -0.059 0.000 0.933 256 K CB -0.268 32.191 32.500 -0.069 0.000 0.717 256 K HN 0.296 nan 8.250 nan 0.000 0.442 257 T N 1.043 115.541 114.554 -0.093 0.000 2.708 257 T HA -0.106 4.243 4.350 -0.000 0.000 0.266 257 T C 2.025 176.569 174.700 -0.259 0.000 1.037 257 T CA 1.183 63.159 62.100 -0.206 0.000 1.146 257 T CB -0.171 68.635 68.868 -0.103 0.000 0.865 257 T HN -0.053 nan 8.240 nan 0.000 0.435 258 V N 1.519 121.415 119.914 -0.030 0.000 2.343 258 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 258 V C 2.468 178.573 176.094 0.018 0.000 1.051 258 V CA 1.473 63.827 62.300 0.090 0.000 1.036 258 V CB -0.670 31.222 31.823 0.114 0.000 0.654 258 V HN 0.432 nan 8.190 nan 0.000 0.451 259 L N -0.511 120.685 121.223 -0.044 0.000 2.131 259 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 259 L C 2.559 179.352 176.870 -0.128 0.000 1.092 259 L CA 1.709 56.477 54.840 -0.121 0.000 0.759 259 L CB -0.718 41.269 42.059 -0.120 0.000 0.903 259 L HN 0.480 nan 8.230 nan 0.000 0.435 260 H N -0.807 118.125 119.070 -0.230 0.000 2.357 260 H HA -0.184 4.372 4.556 -0.000 0.000 0.301 260 H C 1.875 177.112 175.328 -0.151 0.000 1.082 260 H CA 1.710 57.613 56.048 -0.242 0.000 1.342 260 H CB -0.079 29.469 29.762 -0.356 0.000 1.389 260 H HN 0.215 nan 8.280 nan 0.000 0.511 261 Y N -0.197 120.007 120.300 -0.160 0.000 2.439 261 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 261 Y C 1.942 177.749 175.900 -0.156 0.000 1.130 261 Y CA 0.729 58.714 58.100 -0.192 0.000 1.254 261 Y CB -0.354 38.072 38.460 -0.057 0.000 1.000 261 Y HN 0.302 nan 8.280 nan 0.000 0.554 262 M N -0.442 119.148 119.600 -0.018 0.000 2.494 262 M HA 0.023 4.503 4.480 -0.000 0.000 0.232 262 M C -0.303 175.907 176.300 -0.150 0.000 1.137 262 M CA 0.528 55.784 55.300 -0.074 0.000 1.012 262 M CB 0.126 32.641 32.600 -0.142 0.000 1.567 262 M HN 0.055 nan 8.290 nan 0.000 0.486 263 D N -0.586 119.720 120.400 -0.156 0.000 2.945 263 D HA -0.144 4.495 4.640 -0.000 0.000 0.225 263 D C 0.746 176.960 176.300 -0.144 0.000 1.158 263 D CA 0.386 54.302 54.000 -0.140 0.000 0.805 263 D CB -1.411 39.337 40.800 -0.087 0.000 1.098 263 D HN 0.240 nan 8.370 nan 0.000 0.426 264 V N -0.431 119.361 119.914 -0.204 0.000 2.581 264 V HA 0.126 4.246 4.120 -0.000 0.000 0.240 264 V C 1.386 177.415 176.094 -0.109 0.000 1.054 264 V CA 0.652 62.822 62.300 -0.215 0.000 1.076 264 V CB 0.481 32.049 31.823 -0.426 0.000 0.748 264 V HN 0.171 nan 8.190 nan 0.000 0.474 265 I N 0.164 120.690 120.570 -0.073 0.000 2.354 265 I HA 0.235 4.405 4.170 -0.000 0.000 0.292 265 I C 1.179 177.355 176.117 0.098 0.000 0.989 265 I CA -0.018 61.269 61.300 -0.022 0.000 1.188 265 I CB 1.967 39.932 38.000 -0.057 0.000 1.342 265 I HN 0.045 nan 8.210 nan 0.000 0.457 266 S N 4.247 119.976 115.700 0.049 0.000 2.345 266 S HA -0.007 4.463 4.470 -0.000 0.000 0.220 266 S C 0.581 175.142 174.600 -0.066 0.000 1.031 266 S CA 0.758 59.002 58.200 0.072 0.000 0.996 266 S CB 0.096 63.311 63.200 0.024 0.000 0.882 266 S HN 0.463 nan 8.310 nan 0.000 0.445 267 V N 3.365 123.205 119.914 -0.123 0.000 2.443 267 V HA 0.310 4.430 4.120 -0.000 0.000 0.293 267 V C -2.249 173.738 176.094 -0.178 0.000 1.021 267 V CA -1.619 60.557 62.300 -0.208 0.000 0.848 267 V CB 1.841 33.612 31.823 -0.086 0.000 0.998 267 V HN 0.151 nan 8.190 nan 0.000 0.424 268 P HA 0.179 nan 4.420 nan 0.000 0.249 268 P C -0.064 177.196 177.300 -0.066 0.000 1.593 268 P CA 0.003 63.008 63.100 -0.159 0.000 0.896 268 P CB 0.261 31.830 31.700 -0.218 0.000 1.581 269 L N -0.196 121.022 121.223 -0.008 0.000 2.399 269 L HA 0.295 4.635 4.340 -0.000 0.000 0.266 269 L C 0.780 177.753 176.870 0.172 0.000 1.114 269 L CA -0.506 54.374 54.840 0.066 0.000 0.804 269 L CB 0.794 42.894 42.059 0.069 0.000 1.146 269 L HN 0.042 nan 8.230 nan 0.000 0.451 270 C N 1.093 120.489 119.300 0.160 0.000 2.486 270 C HA 0.498 4.957 4.460 -0.000 0.000 0.348 270 C C 0.470 175.588 174.990 0.214 0.000 1.203 270 C CA -0.855 58.294 59.018 0.219 0.000 1.911 270 C CB 1.761 29.511 27.740 0.016 0.000 2.340 270 C HN 0.741 nan 8.230 nan 0.000 0.511 271 R N 1.327 121.954 120.500 0.211 0.000 2.490 271 R HA 0.244 4.584 4.340 -0.000 0.000 0.278 271 R C -0.129 176.288 176.300 0.196 0.000 1.069 271 R CA -0.461 55.664 56.100 0.042 0.000 1.080 271 R CB 0.522 30.736 30.300 -0.144 0.000 1.030 271 R HN 0.519 nan 8.270 nan 0.000 0.491 272 K N 2.987 123.429 120.400 0.070 0.000 2.414 272 K HA 0.018 4.338 4.320 -0.000 0.000 0.272 272 K C -1.350 175.257 176.600 0.012 0.000 0.993 272 K CA -1.053 55.266 56.287 0.052 0.000 0.964 272 K CB 0.365 32.871 32.500 0.010 0.000 0.925 272 K HN 0.494 nan 8.250 nan 0.000 0.487 273 P HA -0.047 nan 4.420 nan 0.000 0.239 273 P C -0.121 177.138 177.300 -0.068 0.000 1.184 273 P CA 0.242 63.289 63.100 -0.088 0.000 0.760 273 P CB 0.151 31.767 31.700 -0.140 0.000 0.884 274 F N 1.497 121.477 119.950 0.050 0.000 2.578 274 F HA 0.304 4.830 4.527 -0.001 0.000 0.376 274 F C 1.834 177.662 175.800 0.046 0.000 1.085 274 F CA 0.460 58.496 58.000 0.061 0.000 1.260 274 F CB 0.117 39.181 39.000 0.106 0.000 1.095 274 F HN -0.090 nan 8.300 nan 0.000 0.573 275 G N 3.750 112.694 108.800 0.240 0.000 2.535 275 G HA2 0.592 4.552 3.960 -0.000 0.000 0.303 275 G HA3 0.592 4.552 3.960 -0.000 0.000 0.303 275 G C -2.567 172.417 174.900 0.140 0.000 1.237 275 G CA -1.278 43.911 45.100 0.148 0.000 0.986 275 G HN 0.424 nan 8.290 nan 0.000 0.494 276 P HA 0.277 nan 4.420 nan 0.000 0.276 276 P C -0.253 177.104 177.300 0.096 0.000 1.261 276 P CA -0.405 62.745 63.100 0.083 0.000 0.800 276 P CB 1.136 32.873 31.700 0.063 0.000 1.066 277 V N 1.391 121.360 119.914 0.092 0.000 2.686 277 V HA 0.020 4.140 4.120 -0.000 0.000 0.295 277 V C 0.953 177.142 176.094 0.158 0.000 1.055 277 V CA 0.056 62.435 62.300 0.132 0.000 1.050 277 V CB 0.204 32.103 31.823 0.126 0.000 0.984 277 V HN 0.600 nan 8.190 nan 0.000 0.482 278 D N 3.428 123.966 120.400 0.229 0.000 2.417 278 D HA 0.022 4.661 4.640 -0.000 0.000 0.250 278 D C 1.221 177.588 176.300 0.111 0.000 1.166 278 D CA 0.118 54.205 54.000 0.145 0.000 0.881 278 D CB 1.053 41.922 40.800 0.116 0.000 1.164 278 D HN 0.663 nan 8.370 nan 0.000 0.467 279 E N 2.842 123.073 120.200 0.051 0.000 2.273 279 E HA -0.242 4.107 4.350 -0.000 0.000 0.198 279 E C 1.667 178.268 176.600 0.002 0.000 1.002 279 E CA 0.848 57.277 56.400 0.049 0.000 0.828 279 E CB 0.004 29.724 29.700 0.033 0.000 0.747 279 E HN 0.615 nan 8.360 nan 0.000 0.491 280 K N 0.156 120.485 120.400 -0.118 0.000 2.442 280 K HA -0.152 4.168 4.320 -0.000 0.000 0.198 280 K C 0.922 177.405 176.600 -0.195 0.000 1.044 280 K CA 1.178 57.340 56.287 -0.208 0.000 0.948 280 K CB -0.087 32.201 32.500 -0.353 0.000 0.762 280 K HN 0.157 nan 8.250 nan 0.000 0.472 281 Y N 1.116 121.445 120.300 0.049 0.000 2.462 281 Y HA 0.232 4.781 4.550 -0.001 0.000 0.261 281 Y C 1.745 177.691 175.900 0.076 0.000 1.146 281 Y CA -0.414 57.720 58.100 0.056 0.000 1.283 281 Y CB 0.064 38.559 38.460 0.057 0.000 1.090 281 Y HN -0.092 nan 8.280 nan 0.000 0.526 282 L N 0.318 121.669 121.223 0.213 0.000 2.042 282 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 282 L C -0.444 176.492 176.870 0.110 0.000 1.076 282 L CA 1.311 56.268 54.840 0.196 0.000 0.749 282 L CB -1.699 40.463 42.059 0.171 0.000 0.893 282 L HN 0.155 nan 8.230 nan 0.000 0.432 283 P HA -0.184 nan 4.420 nan 0.000 0.215 283 P C 1.325 178.649 177.300 0.040 0.000 1.157 283 P CA 1.392 64.508 63.100 0.027 0.000 0.868 283 P CB 0.058 31.774 31.700 0.026 0.000 0.788 284 E N -0.802 119.452 120.200 0.089 0.000 2.106 284 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 284 E C 2.022 178.679 176.600 0.095 0.000 0.984 284 E CA 0.788 57.242 56.400 0.091 0.000 0.806 284 E CB -0.566 29.207 29.700 0.122 0.000 0.750 284 E HN 0.232 nan 8.360 nan 0.000 0.458 285 L N 0.896 122.202 121.223 0.139 0.000 2.093 285 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 285 L C 2.361 179.334 176.870 0.172 0.000 1.085 285 L CA 1.124 56.077 54.840 0.189 0.000 0.755 285 L CB -0.238 41.993 42.059 0.288 0.000 0.904 285 L HN 0.035 nan 8.230 nan 0.000 0.435 286 K N 0.027 120.421 120.400 -0.009 0.000 2.062 286 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 286 K C 2.248 178.788 176.600 -0.101 0.000 1.051 286 K CA 1.225 57.341 56.287 -0.286 0.000 0.941 286 K CB -0.186 32.024 32.500 -0.484 0.000 0.719 286 K HN 0.245 nan 8.250 nan 0.000 0.440 287 A N 1.506 124.304 122.820 -0.038 0.000 1.933 287 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 287 A C 2.076 179.679 177.584 0.033 0.000 1.175 287 A CA 1.101 53.135 52.037 -0.005 0.000 0.628 287 A CB -0.442 18.563 19.000 0.009 0.000 0.814 287 A HN 0.233 nan 8.150 nan 0.000 0.444 288 L N -0.199 121.059 121.223 0.059 0.000 2.056 288 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 288 L C 2.627 179.563 176.870 0.110 0.000 1.078 288 L CA 2.195 57.086 54.840 0.085 0.000 0.749 288 L CB -0.924 41.191 42.059 0.093 0.000 0.901 288 L HN 0.323 nan 8.230 nan 0.000 0.433 289 A N -0.854 122.041 122.820 0.126 0.000 1.908 289 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 289 A C 2.283 179.935 177.584 0.114 0.000 1.181 289 A CA 1.886 54.014 52.037 0.151 0.000 0.627 289 A CB -0.779 18.343 19.000 0.204 0.000 0.818 289 A HN 0.607 nan 8.150 nan 0.000 0.445 290 Q N -0.201 119.636 119.800 0.062 0.000 2.084 290 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 290 Q C 2.192 178.229 176.000 0.063 0.000 0.978 290 Q CA 2.390 58.218 55.803 0.042 0.000 0.844 290 Q CB -0.461 28.280 28.738 0.005 0.000 0.898 290 Q HN 0.768 nan 8.270 nan 0.000 0.426 291 Q N -0.541 119.303 119.800 0.073 0.000 2.050 291 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 291 Q C 2.040 178.121 176.000 0.135 0.000 0.980 291 Q CA 1.571 57.425 55.803 0.085 0.000 0.840 291 Q CB -0.151 28.636 28.738 0.080 0.000 0.898 291 Q HN 0.527 nan 8.270 nan 0.000 0.424 292 L N -0.064 121.274 121.223 0.192 0.000 2.083 292 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 292 L C 2.631 179.660 176.870 0.265 0.000 1.083 292 L CA 1.019 56.063 54.840 0.339 0.000 0.752 292 L CB -0.328 41.967 42.059 0.393 0.000 0.899 292 L HN 0.374 nan 8.230 nan 0.000 0.433 293 M N -1.246 118.457 119.600 0.172 0.000 2.175 293 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 293 M C 2.351 178.659 176.300 0.014 0.000 1.063 293 M CA 1.409 56.765 55.300 0.094 0.000 1.119 293 M CB -0.343 32.307 32.600 0.084 0.000 1.377 293 M HN 0.269 nan 8.290 nan 0.000 0.415 294 Q N 0.255 120.071 119.800 0.027 0.000 2.084 294 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 294 Q C 1.845 177.822 176.000 -0.038 0.000 0.978 294 Q CA 1.604 57.405 55.803 -0.003 0.000 0.844 294 Q CB -0.310 28.438 28.738 0.016 0.000 0.898 294 Q HN 0.615 nan 8.270 nan 0.000 0.426 295 E N 0.566 120.758 120.200 -0.013 0.000 2.047 295 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 295 E C 1.159 177.570 176.600 -0.316 0.000 0.987 295 E CA 0.239 56.606 56.400 -0.055 0.000 0.799 295 E CB 0.198 29.987 29.700 0.149 0.000 0.752 295 E HN 0.081 nan 8.360 nan 0.000 0.449 296 R N 0.000 120.200 120.500 -0.500 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.610 56.100 -0.817 0.000 0.921 296 R CB 0.000 29.756 30.300 -0.907 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535