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 1osi_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLPGDG IGPEVTEAAL KVLRALDEAE GLGLAYEVFP FGGAAIDAFG DATA SEQUENCE EPFPEPTRKG VEEAEAVLLG SVGGPKWDGL PRKIRPETGL LSLRKSQDLF DATA SEQUENCE ANLRPAKVFP GLERLSPLKE EIARGVDVLI VRELTGGIYF GEPRGMSEAE DATA SEQUENCE AWNTERYSKP EVERVARVAF EAARKRRKHV VSVDKANVLE VGEFWRKTVE DATA SEQUENCE EVGRGYPDVA LEHQYVDAMA MHLVRSPARF DVVVTGNIFG DILSDLASVL DATA SEQUENCE PGSLGLLPSA SLGRGTPVFE PVHGSAPDIA GKGIANPTAA ILSAAMMLEH DATA SEQUENCE AFGLVELARK VEDAVAKALL ETPPPDLGGS AGTEAFTATV LRHLA 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 0.000 176.227 176.300 -0.121 0.000 1.140 1 M CA 0.000 55.107 55.300 -0.321 0.000 0.988 1 M CB 0.000 32.299 32.600 -0.501 0.000 1.302 2 K N 4.575 124.993 120.400 0.030 0.000 2.240 2 K HA 0.544 nan 4.320 nan 0.000 0.271 2 K C -1.721 174.994 176.600 0.193 0.000 1.018 2 K CA -0.759 55.595 56.287 0.111 0.000 0.874 2 K CB 1.941 34.510 32.500 0.114 0.000 1.098 2 K HN -0.263 8.305 8.250 0.093 -0.261 0.458 3 V N 5.256 125.293 119.914 0.204 0.000 2.495 3 V HA 0.630 nan 4.120 nan 0.000 0.298 3 V C -1.789 174.454 176.094 0.248 0.000 1.031 3 V CA -1.737 60.697 62.300 0.224 0.000 0.871 3 V CB 3.031 34.960 31.823 0.177 0.000 0.988 3 V HN 0.580 8.784 8.190 0.207 0.110 0.432 4 A N 6.934 129.867 122.820 0.189 0.000 2.253 4 A HA 0.654 nan 4.320 nan 0.000 0.316 4 A C -1.562 176.136 177.584 0.191 0.000 1.327 4 A CA -1.642 50.519 52.037 0.205 0.000 0.917 4 A CB 1.008 19.983 19.000 -0.042 0.000 1.162 4 A HN 0.939 9.176 8.150 0.145 0.000 0.535 5 V N 5.502 125.601 119.914 0.309 0.000 2.385 5 V HA 0.342 nan 4.120 nan 0.000 0.269 5 V C -1.294 174.932 176.094 0.219 0.000 1.043 5 V CA -0.089 62.336 62.300 0.208 0.000 0.906 5 V CB 0.462 32.402 31.823 0.196 0.000 0.995 5 V HN 1.035 9.388 8.190 0.442 0.102 0.467 6 L N 8.713 129.989 121.223 0.088 0.000 2.426 6 L HA 0.573 nan 4.340 nan 0.000 0.255 6 L C -1.865 175.050 176.870 0.075 0.000 1.080 6 L CA -3.213 51.663 54.840 0.060 0.000 0.960 6 L CB -1.364 40.559 42.059 -0.226 0.000 1.326 6 L HN 0.636 8.884 8.230 0.030 0.000 0.441 7 P HA -0.249 nan 4.420 nan 0.000 0.217 7 P C -0.511 176.862 177.300 0.122 0.000 1.162 7 P CA 1.631 64.800 63.100 0.115 0.000 0.901 7 P CB 0.384 32.160 31.700 0.125 0.000 0.793 8 G N -4.581 104.312 108.800 0.156 0.000 2.508 8 G HA2 -0.352 nan 3.960 nan 0.000 0.220 8 G HA3 -0.352 nan 3.960 nan 0.000 0.220 8 G C -1.573 173.377 174.900 0.085 0.000 1.287 8 G CA -0.734 44.453 45.100 0.144 0.000 0.916 8 G HN -0.207 8.190 8.290 0.177 0.000 0.574 9 D N 1.547 121.981 120.400 0.055 0.000 2.414 9 D HA 0.284 nan 4.640 nan 0.000 0.241 9 D C 0.649 177.041 176.300 0.153 0.000 1.008 9 D CA -0.323 53.732 54.000 0.091 0.000 1.001 9 D CB 2.158 42.963 40.800 0.008 0.000 1.277 9 D HN 0.313 8.598 8.370 0.053 0.117 0.538 10 G N 0.604 109.525 108.800 0.201 0.000 2.556 10 G HA2 -0.353 nan 3.960 nan 0.000 0.283 10 G HA3 -0.353 nan 3.960 nan 0.000 0.283 10 G C 0.827 175.808 174.900 0.134 0.000 1.177 10 G CA 0.981 46.182 45.100 0.168 0.000 0.978 10 G HN 0.149 8.590 8.290 0.252 0.000 0.554 11 I N -1.712 118.933 120.570 0.125 0.000 3.550 11 I HA 0.066 nan 4.170 nan 0.000 0.295 11 I C 1.179 177.379 176.117 0.138 0.000 1.291 11 I CA -0.256 61.108 61.300 0.107 0.000 1.298 11 I CB -1.288 36.750 38.000 0.063 0.000 1.026 11 I HN 0.165 8.346 8.210 0.130 0.107 0.491 12 G N 2.316 111.206 108.800 0.150 0.000 2.586 12 G HA2 -0.245 nan 3.960 nan 0.000 0.218 12 G HA3 -0.245 nan 3.960 nan 0.000 0.218 12 G C -1.311 173.660 174.900 0.120 0.000 1.216 12 G CA 3.322 48.506 45.100 0.140 0.000 0.786 12 G HN 0.231 8.397 8.290 0.148 0.213 0.583 13 P HA -0.130 nan 4.420 nan 0.000 0.222 13 P C 1.582 178.935 177.300 0.089 0.000 1.147 13 P CA 2.242 65.402 63.100 0.099 0.000 0.790 13 P CB -0.579 31.181 31.700 0.100 0.000 0.780 14 E N -0.821 119.432 120.200 0.088 0.000 2.028 14 E HA -0.219 nan 4.350 nan 0.000 0.190 14 E C 2.389 179.036 176.600 0.077 0.000 0.984 14 E CA 3.167 59.612 56.400 0.075 0.000 0.800 14 E CB -0.141 29.598 29.700 0.064 0.000 0.758 14 E HN -0.038 8.249 8.360 0.095 0.129 0.448 15 V N -4.380 115.590 119.914 0.093 0.000 2.515 15 V HA -0.230 nan 4.120 nan 0.000 0.250 15 V C 2.020 178.172 176.094 0.098 0.000 1.058 15 V CA 4.029 66.392 62.300 0.106 0.000 1.064 15 V CB -1.136 30.785 31.823 0.163 0.000 0.675 15 V HN 0.084 8.337 8.190 0.104 0.000 0.461 16 T N 2.976 117.583 114.554 0.089 0.000 2.777 16 T HA -0.309 nan 4.350 nan 0.000 0.266 16 T C 1.561 176.282 174.700 0.035 0.000 1.040 16 T CA 5.059 67.195 62.100 0.061 0.000 1.141 16 T CB -0.727 68.178 68.868 0.062 0.000 0.868 16 T HN 0.165 8.464 8.240 0.099 0.000 0.444 17 E N 1.865 122.094 120.200 0.050 0.000 2.077 17 E HA -0.355 nan 4.350 nan 0.000 0.193 17 E C 1.396 178.015 176.600 0.032 0.000 0.989 17 E CA 2.641 59.065 56.400 0.041 0.000 0.800 17 E CB -0.788 28.948 29.700 0.060 0.000 0.746 17 E HN -0.504 7.894 8.360 0.065 0.000 0.452 18 A N -1.270 121.581 122.820 0.051 0.000 1.892 18 A HA -0.346 nan 4.320 nan 0.000 0.218 18 A C 2.083 179.692 177.584 0.041 0.000 1.188 18 A CA 3.075 55.148 52.037 0.060 0.000 0.631 18 A CB -1.116 17.940 19.000 0.093 0.000 0.822 18 A HN -0.672 7.515 8.150 0.062 0.000 0.447 19 A N -1.570 121.271 122.820 0.034 0.000 1.877 19 A HA -0.298 nan 4.320 nan 0.000 0.216 19 A C 2.148 179.704 177.584 -0.046 0.000 1.186 19 A CA 2.939 54.981 52.037 0.009 0.000 0.620 19 A CB -0.752 18.254 19.000 0.011 0.000 0.822 19 A HN -0.567 7.539 8.150 0.046 0.072 0.443 20 L N -2.426 118.746 121.223 -0.086 0.000 2.131 20 L HA -0.463 nan 4.340 nan 0.000 0.210 20 L C 2.198 179.019 176.870 -0.082 0.000 1.092 20 L CA 2.747 57.478 54.840 -0.180 0.000 0.759 20 L CB -0.532 41.375 42.059 -0.253 0.000 0.903 20 L HN 0.178 8.301 8.230 -0.058 0.072 0.435 21 K N 0.197 120.585 120.400 -0.021 0.000 2.057 21 K HA -0.321 nan 4.320 nan 0.000 0.207 21 K C 2.286 178.883 176.600 -0.005 0.000 1.049 21 K CA 3.773 60.063 56.287 0.006 0.000 0.931 21 K CB -0.080 32.431 32.500 0.018 0.000 0.714 21 K HN 0.214 8.220 8.250 -0.013 0.236 0.440 22 V N -0.017 119.889 119.914 -0.013 0.000 2.453 22 V HA -0.294 nan 4.120 nan 0.000 0.247 22 V C 2.213 178.291 176.094 -0.026 0.000 1.048 22 V CA 4.180 66.470 62.300 -0.017 0.000 1.049 22 V CB -0.591 31.227 31.823 -0.009 0.000 0.672 22 V HN -0.479 7.615 8.190 -0.011 0.089 0.457 23 L N -1.652 119.543 121.223 -0.046 0.000 2.141 23 L HA -0.401 nan 4.340 nan 0.000 0.209 23 L C 2.331 179.183 176.870 -0.029 0.000 1.094 23 L CA 3.313 58.119 54.840 -0.057 0.000 0.763 23 L CB -0.456 41.535 42.059 -0.113 0.000 0.908 23 L HN -0.061 8.056 8.230 -0.058 0.078 0.437 24 R N -0.941 119.555 120.500 -0.006 0.000 2.057 24 R HA -0.349 nan 4.340 nan 0.000 0.229 24 R C 2.027 178.334 176.300 0.013 0.000 1.136 24 R CA 3.587 59.709 56.100 0.036 0.000 0.952 24 R CB -0.310 30.030 30.300 0.066 0.000 0.848 24 R HN 0.046 8.289 8.270 -0.020 0.015 0.430 25 A N -0.164 122.657 122.820 0.002 0.000 1.903 25 A HA -0.280 nan 4.320 nan 0.000 0.219 25 A C 2.154 179.731 177.584 -0.012 0.000 1.191 25 A CA 3.052 55.085 52.037 -0.007 0.000 0.638 25 A CB -0.784 18.208 19.000 -0.014 0.000 0.823 25 A HN -0.344 7.807 8.150 0.002 0.000 0.451 26 L N -4.204 117.010 121.223 -0.016 0.000 2.141 26 L HA -0.366 nan 4.340 nan 0.000 0.209 26 L C 1.613 178.470 176.870 -0.021 0.000 1.094 26 L CA 2.549 57.377 54.840 -0.019 0.000 0.763 26 L CB -0.541 41.503 42.059 -0.024 0.000 0.908 26 L HN -0.005 8.212 8.230 -0.017 0.002 0.437 27 D N -1.070 119.319 120.400 -0.017 0.000 2.178 27 D HA -0.281 nan 4.640 nan 0.000 0.201 27 D C 2.213 178.505 176.300 -0.013 0.000 0.980 27 D CA 3.149 57.139 54.000 -0.017 0.000 0.842 27 D CB -0.015 40.784 40.800 -0.001 0.000 0.948 27 D HN -0.296 7.938 8.370 -0.013 0.128 0.472 28 E N 0.093 120.288 120.200 -0.008 0.000 2.004 28 E HA -0.265 nan 4.350 nan 0.000 0.192 28 E C 2.219 178.813 176.600 -0.011 0.000 0.987 28 E CA 2.784 59.179 56.400 -0.008 0.000 0.822 28 E CB 0.065 29.762 29.700 -0.005 0.000 0.779 28 E HN -0.554 7.779 8.360 -0.006 0.023 0.458 29 A N 0.316 123.129 122.820 -0.012 0.000 1.869 29 A HA -0.247 nan 4.320 nan 0.000 0.218 29 A C 2.235 179.811 177.584 -0.013 0.000 1.203 29 A CA 2.912 54.941 52.037 -0.013 0.000 0.638 29 A CB -0.540 18.452 19.000 -0.014 0.000 0.831 29 A HN -0.508 7.635 8.150 -0.012 0.000 0.450 30 E N -2.175 118.015 120.200 -0.015 0.000 2.494 30 E HA 0.014 nan 4.350 nan 0.000 0.193 30 E C -0.115 176.473 176.600 -0.020 0.000 1.074 30 E CA -0.916 55.474 56.400 -0.017 0.000 0.867 30 E CB -0.060 29.629 29.700 -0.018 0.000 0.924 30 E HN -0.382 7.968 8.360 -0.016 0.000 0.502 31 G N -0.805 107.983 108.800 -0.019 0.000 2.325 31 G HA2 -0.361 nan 3.960 nan 0.000 0.274 31 G HA3 -0.361 nan 3.960 nan 0.000 0.274 31 G C -0.331 174.551 174.900 -0.031 0.000 0.921 31 G CA 0.889 45.976 45.100 -0.021 0.000 1.340 31 G HN -0.365 7.736 8.290 -0.017 0.179 0.447 32 L N 0.757 121.956 121.223 -0.041 0.000 2.200 32 L HA 0.222 nan 4.340 nan 0.000 0.200 32 L C 1.329 178.153 176.870 -0.076 0.000 1.072 32 L CA 0.473 55.273 54.840 -0.067 0.000 0.787 32 L CB 0.482 42.489 42.059 -0.085 0.000 0.957 32 L HN -0.356 7.950 8.230 -0.035 -0.096 0.459 33 G N -2.423 106.343 108.800 -0.057 0.000 2.207 33 G HA2 -0.385 nan 3.960 nan 0.000 0.216 33 G HA3 -0.385 nan 3.960 nan 0.000 0.216 33 G C -0.902 173.963 174.900 -0.059 0.000 1.053 33 G CA -0.443 44.627 45.100 -0.051 0.000 0.764 33 G HN 0.105 8.637 8.290 -0.043 -0.268 0.495 34 L N -0.708 120.488 121.223 -0.044 0.000 2.514 34 L HA 0.022 nan 4.340 nan 0.000 0.280 34 L C -1.238 175.658 176.870 0.043 0.000 1.223 34 L CA 0.839 55.672 54.840 -0.011 0.000 0.864 34 L CB 0.747 42.836 42.059 0.051 0.000 1.118 34 L HN -0.401 8.267 8.230 -0.035 -0.459 0.494 35 A N 5.118 127.982 122.820 0.074 0.000 2.679 35 A HA 0.312 nan 4.320 nan 0.000 0.288 35 A C -2.716 174.957 177.584 0.149 0.000 1.160 35 A CA -0.275 51.796 52.037 0.058 0.000 0.763 35 A CB 2.022 21.032 19.000 0.017 0.000 1.270 35 A HN 0.479 8.665 8.150 0.059 0.000 0.417 36 Y N -0.268 120.049 120.300 0.028 0.000 2.659 36 Y HA 0.963 nan 4.550 nan 0.000 0.333 36 Y C -1.451 174.491 175.900 0.070 0.000 1.064 36 Y CA -2.181 55.960 58.100 0.068 0.000 1.141 36 Y CB 2.728 41.225 38.460 0.063 0.000 1.316 36 Y HN -0.086 8.130 8.280 -0.107 0.000 0.509 37 E N -2.152 118.212 120.200 0.274 0.000 2.363 37 E HA 0.329 nan 4.350 nan 0.000 0.281 37 E C -2.269 174.446 176.600 0.192 0.000 0.953 37 E CA -0.872 55.571 56.400 0.071 0.000 0.778 37 E CB 4.953 34.642 29.700 -0.019 0.000 1.220 37 E HN -0.056 8.580 8.360 0.461 0.000 0.431 38 V N 0.046 119.973 119.914 0.021 0.000 2.427 38 V HA 0.794 nan 4.120 nan 0.000 0.286 38 V C -1.764 174.291 176.094 -0.066 0.000 1.034 38 V CA -1.539 60.837 62.300 0.127 0.000 0.893 38 V CB 0.594 32.507 31.823 0.148 0.000 0.982 38 V HN 0.186 8.326 8.190 -0.083 0.000 0.452 39 F N 7.451 127.467 119.950 0.110 0.000 2.546 39 F HA 0.548 nan 4.527 nan 0.000 0.320 39 F C -2.047 173.845 175.800 0.154 0.000 1.076 39 F CA -3.213 54.857 58.000 0.117 0.000 0.928 39 F CB 2.070 41.125 39.000 0.091 0.000 1.189 39 F HN 0.530 9.153 8.300 0.537 0.000 0.465 40 P HA 0.061 nan 4.420 nan 0.000 0.276 40 P C -2.156 175.360 177.300 0.359 0.000 1.235 40 P CA -0.055 63.234 63.100 0.316 0.000 0.772 40 P CB 0.592 32.511 31.700 0.364 0.000 0.871 41 F N 3.323 123.329 119.950 0.093 0.000 2.643 41 F HA 0.319 nan 4.527 nan 0.000 0.314 41 F C -0.957 174.807 175.800 -0.060 0.000 1.096 41 F CA -1.315 56.711 58.000 0.043 0.000 0.953 41 F CB 4.031 43.057 39.000 0.043 0.000 1.345 41 F HN -0.281 8.192 8.300 0.287 0.000 0.468 42 G N 2.225 110.538 108.800 -0.812 0.000 2.574 42 G HA2 -0.512 nan 3.960 nan 0.000 0.282 42 G HA3 -0.512 nan 3.960 nan 0.000 0.282 42 G C 0.407 174.928 174.900 -0.631 0.000 1.257 42 G CA 0.335 45.021 45.100 -0.689 0.000 0.956 42 G HN -0.136 7.173 8.290 -1.636 0.000 0.560 43 G N 1.256 109.436 108.800 -1.033 0.000 2.503 43 G HA2 -0.466 nan 3.960 nan 0.000 0.221 43 G HA3 -0.466 nan 3.960 nan 0.000 0.221 43 G C 0.764 175.246 174.900 -0.697 0.000 1.131 43 G CA 2.007 46.030 45.100 -1.795 0.000 0.756 43 G HN -0.195 7.720 8.290 -1.009 -0.230 0.572 44 A N 1.411 124.026 122.820 -0.342 0.000 1.933 44 A HA -0.213 nan 4.320 nan 0.000 0.218 44 A C 1.824 179.449 177.584 0.068 0.000 1.175 44 A CA 2.755 54.785 52.037 -0.012 0.000 0.628 44 A CB -0.729 18.304 19.000 0.055 0.000 0.814 44 A HN -0.237 7.821 8.150 -0.399 -0.148 0.444 45 A N -2.051 120.793 122.820 0.041 0.000 2.014 45 A HA -0.194 nan 4.320 nan 0.000 0.218 45 A C 1.992 179.687 177.584 0.184 0.000 1.163 45 A CA 2.507 54.666 52.037 0.203 0.000 0.652 45 A CB -0.711 18.350 19.000 0.102 0.000 0.808 45 A HN -0.293 7.700 8.150 -0.080 0.109 0.449 46 I N -1.055 119.522 120.570 0.012 0.000 2.286 46 I HA -0.515 nan 4.170 nan 0.000 0.245 46 I C 2.171 178.371 176.117 0.138 0.000 1.104 46 I CA 4.034 65.366 61.300 0.054 0.000 1.397 46 I CB -0.247 37.740 38.000 -0.021 0.000 1.072 46 I HN -0.294 7.707 8.210 -0.133 0.128 0.417 47 D N 0.252 120.750 120.400 0.164 0.000 2.263 47 D HA -0.225 nan 4.640 nan 0.000 0.208 47 D C 0.626 176.978 176.300 0.087 0.000 0.971 47 D CA 3.147 57.256 54.000 0.182 0.000 0.867 47 D CB -0.410 40.533 40.800 0.239 0.000 0.929 47 D HN 0.265 8.526 8.370 0.118 0.180 0.492 48 A N -3.292 119.570 122.820 0.071 0.000 2.070 48 A HA 0.072 nan 4.320 nan 0.000 0.202 48 A C 0.584 177.982 177.584 -0.309 0.000 1.277 48 A CA 1.292 53.253 52.037 -0.127 0.000 0.872 48 A CB 1.091 19.980 19.000 -0.185 0.000 0.933 48 A HN -0.489 7.578 8.150 0.148 0.171 0.475 49 F N -4.244 115.726 119.950 0.033 0.000 2.727 49 F HA 0.290 nan 4.527 nan 0.000 0.302 49 F C 0.537 176.349 175.800 0.020 0.000 1.107 49 F CA 0.914 58.928 58.000 0.024 0.000 1.277 49 F CB 1.333 40.345 39.000 0.020 0.000 1.079 49 F HN 0.465 8.847 8.300 0.326 0.114 0.594 50 G N -1.490 107.425 108.800 0.192 0.000 2.176 50 G HA2 -0.361 nan 3.960 nan 0.000 0.232 50 G HA3 -0.361 nan 3.960 nan 0.000 0.232 50 G C -2.038 172.922 174.900 0.101 0.000 0.986 50 G CA 0.081 45.255 45.100 0.123 0.000 0.643 50 G HN -0.269 8.036 8.290 0.192 0.100 0.522 51 E N -2.023 118.241 120.200 0.106 0.000 2.372 51 E HA 0.485 nan 4.350 nan 0.000 0.279 51 E C -2.865 173.731 176.600 -0.006 0.000 0.946 51 E CA -3.252 53.171 56.400 0.038 0.000 0.769 51 E CB 1.246 30.963 29.700 0.028 0.000 1.230 51 E HN -0.956 7.455 8.360 0.170 0.052 0.442 52 P HA -0.050 nan 4.420 nan 0.000 0.225 52 P C -1.519 175.670 177.300 -0.184 0.000 1.156 52 P CA 1.809 64.769 63.100 -0.235 0.000 0.787 52 P CB 0.605 32.099 31.700 -0.343 0.000 0.802 53 F N -1.337 118.485 119.950 -0.213 0.000 2.577 53 F HA 0.418 nan 4.527 nan 0.000 0.342 53 F C -3.223 172.521 175.800 -0.095 0.000 1.479 53 F CA -5.115 52.838 58.000 -0.079 0.000 1.110 53 F CB -0.306 38.691 39.000 -0.005 0.000 1.306 53 F HN -0.443 7.860 8.300 0.059 0.033 0.554 54 P HA -0.048 nan 4.420 nan 0.000 0.268 54 P C 0.562 177.556 177.300 -0.510 0.000 1.208 54 P CA 0.003 62.839 63.100 -0.439 0.000 0.777 54 P CB 0.777 31.976 31.700 -0.835 0.000 0.875 55 E N 1.515 121.477 120.200 -0.397 0.000 2.097 55 E HA -0.313 nan 4.350 nan 0.000 0.196 55 E C 0.129 176.571 176.600 -0.262 0.000 1.000 55 E CA 5.244 61.453 56.400 -0.319 0.000 0.804 55 E CB -2.648 26.940 29.700 -0.186 0.000 0.740 55 E HN 0.574 8.743 8.360 -0.320 0.000 0.454 56 P HA -0.194 nan 4.420 nan 0.000 0.216 56 P C 1.754 179.060 177.300 0.010 0.000 1.153 56 P CA 3.244 66.308 63.100 -0.060 0.000 0.858 56 P CB -0.420 31.256 31.700 -0.040 0.000 0.789 57 T N 0.241 114.732 114.554 -0.104 0.000 2.732 57 T HA -0.202 nan 4.350 nan 0.000 0.261 57 T C 1.683 176.191 174.700 -0.320 0.000 1.040 57 T CA 4.500 66.517 62.100 -0.138 0.000 1.145 57 T CB -0.491 68.398 68.868 0.036 0.000 0.866 57 T HN -0.413 7.675 8.240 -0.247 0.004 0.427 58 R N 1.311 121.536 120.500 -0.457 0.000 2.139 58 R HA -0.449 nan 4.340 nan 0.000 0.243 58 R C 2.102 178.257 176.300 -0.241 0.000 1.145 58 R CA 3.487 59.294 56.100 -0.488 0.000 0.976 58 R CB -0.146 29.688 30.300 -0.777 0.000 0.866 58 R HN -0.259 7.672 8.270 -0.565 0.000 0.449 59 K N -2.239 118.036 120.400 -0.208 0.000 2.062 59 K HA -0.227 nan 4.320 nan 0.000 0.205 59 K C 2.289 178.806 176.600 -0.138 0.000 1.051 59 K CA 2.791 59.008 56.287 -0.116 0.000 0.941 59 K CB -0.254 32.218 32.500 -0.047 0.000 0.719 59 K HN -0.011 8.093 8.250 -0.220 0.014 0.440 60 G N -0.998 107.624 108.800 -0.297 0.000 2.440 60 G HA2 -0.276 nan 3.960 nan 0.000 0.218 60 G HA3 -0.276 nan 3.960 nan 0.000 0.218 60 G C 1.320 175.964 174.900 -0.427 0.000 1.154 60 G CA 2.359 47.117 45.100 -0.570 0.000 0.767 60 G HN -0.430 7.587 8.290 -0.308 0.087 0.552 61 V N -2.361 117.326 119.914 -0.378 0.000 2.407 61 V HA -0.341 nan 4.120 nan 0.000 0.248 61 V C 1.828 177.873 176.094 -0.081 0.000 1.055 61 V CA 3.424 65.612 62.300 -0.186 0.000 1.049 61 V CB -0.759 31.003 31.823 -0.102 0.000 0.662 61 V HN -0.119 7.822 8.190 -0.416 0.000 0.455 62 E N 0.106 120.266 120.200 -0.068 0.000 2.150 62 E HA -0.291 nan 4.350 nan 0.000 0.193 62 E C 1.700 178.297 176.600 -0.006 0.000 0.985 62 E CA 3.087 59.472 56.400 -0.025 0.000 0.814 62 E CB -0.376 29.311 29.700 -0.023 0.000 0.752 62 E HN -0.317 7.969 8.360 -0.098 0.015 0.466 63 E N -1.402 118.793 120.200 -0.008 0.000 2.158 63 E HA -0.130 nan 4.350 nan 0.000 0.191 63 E C -0.007 176.623 176.600 0.050 0.000 0.982 63 E CA 0.542 56.960 56.400 0.029 0.000 0.823 63 E CB 0.584 30.314 29.700 0.050 0.000 0.766 63 E HN -0.549 7.680 8.360 -0.040 0.107 0.468 64 A N -0.327 122.517 122.820 0.040 0.000 2.313 64 A HA 0.014 nan 4.320 nan 0.000 0.261 64 A C -0.441 177.200 177.584 0.095 0.000 1.090 64 A CA -0.573 51.513 52.037 0.081 0.000 0.807 64 A CB 1.575 20.618 19.000 0.072 0.000 1.055 64 A HN -0.496 7.526 8.150 -0.004 0.126 0.492 65 E N -1.655 118.644 120.200 0.164 0.000 2.472 65 E HA 0.014 nan 4.350 nan 0.000 0.196 65 E C -0.870 175.800 176.600 0.116 0.000 1.033 65 E CA 0.560 57.067 56.400 0.179 0.000 0.886 65 E CB 1.111 31.029 29.700 0.363 0.000 0.944 65 E HN 0.418 8.784 8.360 0.204 0.116 0.492 66 A N -2.744 120.169 122.820 0.155 0.000 2.590 66 A HA 0.283 nan 4.320 nan 0.000 0.294 66 A C -2.587 175.081 177.584 0.141 0.000 1.046 66 A CA 0.061 52.181 52.037 0.137 0.000 0.684 66 A CB 3.095 22.137 19.000 0.070 0.000 1.279 66 A HN -0.668 7.538 8.150 0.175 0.049 0.415 67 V N 0.755 120.750 119.914 0.137 0.000 2.513 67 V HA 0.757 nan 4.120 nan 0.000 0.299 67 V C -1.584 174.577 176.094 0.111 0.000 1.035 67 V CA -1.178 61.159 62.300 0.061 0.000 0.889 67 V CB 2.749 34.537 31.823 -0.057 0.000 0.988 67 V HN 0.250 8.557 8.190 0.195 0.000 0.440 68 L N 6.169 127.430 121.223 0.064 0.000 2.318 68 L HA 0.770 nan 4.340 nan 0.000 0.277 68 L C -2.153 174.723 176.870 0.010 0.000 1.008 68 L CA -1.270 53.607 54.840 0.061 0.000 0.846 68 L CB 1.613 43.690 42.059 0.030 0.000 1.220 68 L HN 0.517 8.776 8.230 0.049 0.000 0.423 69 L N 5.184 126.397 121.223 -0.017 0.000 2.360 69 L HA 0.709 nan 4.340 nan 0.000 0.271 69 L C -1.144 175.716 176.870 -0.017 0.000 1.057 69 L CA -1.921 52.878 54.840 -0.067 0.000 0.803 69 L CB 2.785 44.756 42.059 -0.146 0.000 1.207 69 L HN 0.251 8.490 8.230 0.016 0.000 0.445 70 G N 3.931 112.736 108.800 0.007 0.000 3.434 70 G HA2 0.400 nan 3.960 nan 0.000 0.192 70 G HA3 0.400 nan 3.960 nan 0.000 0.192 70 G C -1.189 173.713 174.900 0.003 0.000 1.704 70 G CA -0.340 44.777 45.100 0.030 0.000 0.936 70 G HN 0.322 8.621 8.290 0.014 0.000 0.623 71 S N -0.403 115.329 115.700 0.054 0.000 2.648 71 S HA 0.376 nan 4.470 nan 0.000 0.305 71 S C -1.709 172.937 174.600 0.076 0.000 1.094 71 S CA -1.054 57.175 58.200 0.048 0.000 0.983 71 S CB 2.745 66.008 63.200 0.105 0.000 1.101 71 S HN -0.347 8.017 8.310 0.090 0.000 0.514 72 V N -0.624 119.323 119.914 0.056 0.000 3.049 72 V HA 0.667 nan 4.120 nan 0.000 0.309 72 V C -1.238 174.855 176.094 -0.002 0.000 1.148 72 V CA -1.300 61.003 62.300 0.005 0.000 0.990 72 V CB 3.858 35.689 31.823 0.013 0.000 1.039 72 V HN 0.271 8.491 8.190 0.050 0.000 0.430 73 G N 4.726 113.471 108.800 -0.090 0.000 2.787 73 G HA2 -0.225 nan 3.960 nan 0.000 0.685 73 G HA3 -0.225 nan 3.960 nan 0.000 0.685 73 G C -2.417 172.710 174.900 0.378 0.000 1.437 73 G CA 0.195 45.344 45.100 0.083 0.000 0.872 73 G HN 0.500 8.890 8.290 -0.270 -0.262 0.566 74 G N -2.840 106.320 108.800 0.599 0.000 2.349 74 G HA2 0.235 nan 3.960 nan 0.000 0.294 74 G HA3 0.235 nan 3.960 nan 0.000 0.294 74 G C -2.151 172.858 174.900 0.181 0.000 1.380 74 G CA 0.050 45.404 45.100 0.424 0.000 0.811 74 G HN -0.119 8.540 8.290 0.615 0.000 0.519 75 P HA -0.212 nan 4.420 nan 0.000 0.215 75 P C 0.972 178.119 177.300 -0.255 0.000 1.153 75 P CA 1.845 64.884 63.100 -0.102 0.000 0.853 75 P CB 0.478 32.114 31.700 -0.106 0.000 0.788 76 K N -2.656 117.380 120.400 -0.608 0.000 2.281 76 K HA -0.179 nan 4.320 nan 0.000 0.203 76 K C 0.762 176.890 176.600 -0.786 0.000 1.046 76 K CA 2.181 57.940 56.287 -0.880 0.000 0.938 76 K CB -0.234 31.402 32.500 -1.440 0.000 0.737 76 K HN 0.177 8.013 8.250 -0.690 0.000 0.458 77 W N -5.645 115.657 121.300 0.004 0.000 2.714 77 W HA 0.249 nan 4.660 nan 0.000 0.353 77 W C 0.730 177.246 176.519 -0.005 0.000 0.999 77 W CA -0.521 56.823 57.345 -0.001 0.000 1.629 77 W CB 1.158 30.615 29.460 -0.005 0.000 1.106 77 W HN -0.578 7.441 8.180 -0.202 0.040 0.545 78 D N 1.624 122.125 120.400 0.168 0.000 2.178 78 D HA -0.181 nan 4.640 nan 0.000 0.201 78 D C 1.271 177.610 176.300 0.065 0.000 0.980 78 D CA 3.692 57.758 54.000 0.109 0.000 0.842 78 D CB -0.175 40.666 40.800 0.068 0.000 0.948 78 D HN -0.544 7.778 8.370 0.103 0.110 0.472 79 G N -2.280 106.542 108.800 0.037 0.000 3.332 79 G HA2 -0.076 nan 3.960 nan 0.000 0.242 79 G HA3 -0.076 nan 3.960 nan 0.000 0.242 79 G C -0.781 174.141 174.900 0.037 0.000 1.276 79 G CA -0.069 45.043 45.100 0.021 0.000 0.988 79 G HN -0.330 7.957 8.290 0.017 0.013 0.517 80 L N 1.018 122.281 121.223 0.066 0.000 2.344 80 L HA 0.374 nan 4.340 nan 0.000 0.272 80 L C -1.843 175.056 176.870 0.048 0.000 1.035 80 L CA -3.452 51.430 54.840 0.070 0.000 0.807 80 L CB 1.732 43.860 42.059 0.116 0.000 1.237 80 L HN -0.665 7.507 8.230 0.084 0.109 0.442 81 P HA 0.189 nan 4.420 nan 0.000 0.281 81 P C 0.391 177.704 177.300 0.021 0.000 1.286 81 P CA -0.554 62.561 63.100 0.025 0.000 0.772 81 P CB 0.671 32.383 31.700 0.021 0.000 0.862 82 R N 6.790 127.298 120.500 0.015 0.000 2.409 82 R HA -0.646 nan 4.340 nan 0.000 0.215 82 R C 1.495 177.797 176.300 0.004 0.000 0.981 82 R CA 4.352 60.456 56.100 0.007 0.000 0.691 82 R CB -0.296 30.005 30.300 0.002 0.000 0.897 82 R HN 0.628 8.907 8.270 0.015 0.000 0.353 83 K N -4.574 115.830 120.400 0.006 0.000 2.228 83 K HA -0.229 nan 4.320 nan 0.000 0.205 83 K C 0.906 177.510 176.600 0.006 0.000 1.045 83 K CA 2.414 58.705 56.287 0.006 0.000 0.931 83 K CB -0.788 31.718 32.500 0.010 0.000 0.727 83 K HN 0.095 8.339 8.250 0.008 0.011 0.458 84 I N -5.157 115.419 120.570 0.010 0.000 4.082 84 I HA 0.130 nan 4.170 nan 0.000 0.337 84 I C 0.204 176.317 176.117 -0.007 0.000 1.352 84 I CA -1.571 59.734 61.300 0.008 0.000 1.097 84 I CB -0.103 37.917 38.000 0.033 0.000 1.048 84 I HN 0.127 8.187 8.210 0.016 0.159 0.393 85 R N 1.733 122.232 120.500 -0.003 0.000 2.698 85 R HA -0.016 nan 4.340 nan 0.000 0.266 85 R C -0.842 175.409 176.300 -0.081 0.000 1.026 85 R CA -1.084 55.012 56.100 -0.006 0.000 1.102 85 R CB -1.109 29.192 30.300 0.002 0.000 0.978 85 R HN -0.434 7.708 8.270 0.001 0.129 0.436 86 P HA -0.115 nan 4.420 nan 0.000 0.220 86 P C 0.505 177.680 177.300 -0.208 0.000 1.148 86 P CA 2.341 65.286 63.100 -0.259 0.000 0.803 86 P CB 0.097 31.620 31.700 -0.295 0.000 0.782 87 E N -3.768 116.371 120.200 -0.101 0.000 2.153 87 E HA -0.313 nan 4.350 nan 0.000 0.194 87 E C 2.046 178.599 176.600 -0.079 0.000 0.988 87 E CA 3.724 60.083 56.400 -0.068 0.000 0.811 87 E CB -1.171 28.512 29.700 -0.028 0.000 0.746 87 E HN 0.451 8.745 8.360 -0.063 0.028 0.466 88 T N 2.073 116.577 114.554 -0.083 0.000 2.962 88 T HA -0.072 nan 4.350 nan 0.000 0.270 88 T C 1.732 176.372 174.700 -0.101 0.000 1.088 88 T CA 4.124 66.182 62.100 -0.069 0.000 1.127 88 T CB -0.628 68.213 68.868 -0.045 0.000 0.883 88 T HN -0.312 7.760 8.240 -0.077 0.122 0.493 89 G N 1.426 110.109 108.800 -0.194 0.000 2.418 89 G HA2 -0.268 nan 3.960 nan 0.000 0.217 89 G HA3 -0.268 nan 3.960 nan 0.000 0.217 89 G C 0.577 175.358 174.900 -0.198 0.000 1.158 89 G CA 2.207 47.128 45.100 -0.298 0.000 0.771 89 G HN -0.381 7.614 8.290 -0.225 0.160 0.545 90 L N 1.924 123.097 121.223 -0.083 0.000 1.989 90 L HA -0.394 nan 4.340 nan 0.000 0.211 90 L C 1.908 178.724 176.870 -0.091 0.000 1.071 90 L CA 2.666 57.509 54.840 0.004 0.000 0.749 90 L CB -0.216 41.848 42.059 0.008 0.000 0.890 90 L HN -0.811 7.339 8.230 -0.134 0.000 0.431 91 L N -2.785 118.391 121.223 -0.078 0.000 2.079 91 L HA -0.510 nan 4.340 nan 0.000 0.210 91 L C 2.320 179.140 176.870 -0.084 0.000 1.081 91 L CA 3.281 58.081 54.840 -0.067 0.000 0.752 91 L CB -0.776 41.257 42.059 -0.043 0.000 0.896 91 L HN -0.673 7.517 8.230 -0.068 0.000 0.433 92 S N 0.105 115.743 115.700 -0.104 0.000 2.355 92 S HA -0.302 nan 4.470 nan 0.000 0.222 92 S C 1.893 176.373 174.600 -0.201 0.000 1.031 92 S CA 4.358 62.524 58.200 -0.056 0.000 0.993 92 S CB -0.315 62.949 63.200 0.106 0.000 0.859 92 S HN -0.372 7.772 8.310 -0.110 0.100 0.453 93 L N 1.538 122.403 121.223 -0.596 0.000 2.083 93 L HA -0.356 nan 4.340 nan 0.000 0.209 93 L C 1.215 177.935 176.870 -0.251 0.000 1.083 93 L CA 3.207 57.657 54.840 -0.650 0.000 0.752 93 L CB -0.108 41.507 42.059 -0.741 0.000 0.899 93 L HN 0.216 8.031 8.230 -0.581 0.066 0.433 94 R N -1.423 118.966 120.500 -0.187 0.000 2.057 94 R HA -0.371 nan 4.340 nan 0.000 0.229 94 R C 2.002 178.256 176.300 -0.076 0.000 1.136 94 R CA 3.576 59.601 56.100 -0.124 0.000 0.952 94 R CB -0.125 30.116 30.300 -0.099 0.000 0.848 94 R HN 0.181 8.318 8.270 -0.194 0.016 0.430 95 K N -0.585 119.780 120.400 -0.058 0.000 2.032 95 K HA -0.291 nan 4.320 nan 0.000 0.209 95 K C 3.070 179.670 176.600 0.000 0.000 1.048 95 K CA 2.728 58.998 56.287 -0.029 0.000 0.927 95 K CB -0.513 31.970 32.500 -0.028 0.000 0.712 95 K HN 0.049 8.256 8.250 -0.072 0.000 0.441 96 S N 0.168 115.885 115.700 0.028 0.000 2.400 96 S HA -0.214 nan 4.470 nan 0.000 0.232 96 S C 1.379 176.002 174.600 0.038 0.000 1.025 96 S CA 3.204 61.445 58.200 0.069 0.000 0.993 96 S CB -0.391 62.919 63.200 0.184 0.000 0.808 96 S HN 0.178 8.501 8.310 0.021 0.000 0.478 97 Q N -0.681 119.121 119.800 0.003 0.000 2.319 97 Q HA 0.278 nan 4.340 nan 0.000 0.202 97 Q C -1.301 174.690 176.000 -0.016 0.000 0.896 97 Q CA -1.355 54.438 55.803 -0.016 0.000 0.942 97 Q CB -0.124 28.582 28.738 -0.054 0.000 1.083 97 Q HN -0.713 7.436 8.270 -0.019 0.109 0.510 98 D N -0.544 119.860 120.400 0.007 0.000 2.699 98 D HA -0.399 nan 4.640 nan 0.000 0.239 98 D C -1.357 174.959 176.300 0.027 0.000 1.136 98 D CA 1.150 55.187 54.000 0.063 0.000 0.668 98 D CB -1.066 39.800 40.800 0.111 0.000 1.060 98 D HN -0.438 7.756 8.370 0.005 0.179 0.429 99 L N -1.855 119.325 121.223 -0.072 0.000 2.325 99 L HA -0.027 nan 4.340 nan 0.000 0.284 99 L C -0.177 176.620 176.870 -0.121 0.000 1.089 99 L CA 0.185 54.893 54.840 -0.221 0.000 0.836 99 L CB -0.377 41.558 42.059 -0.206 0.000 1.184 99 L HN -0.709 7.487 8.230 -0.056 0.000 0.444 100 F N -1.455 118.483 119.950 -0.019 0.000 2.724 100 F HA 0.276 nan 4.527 nan 0.000 0.306 100 F C -1.336 174.474 175.800 0.018 0.000 1.100 100 F CA -1.570 56.441 58.000 0.018 0.000 1.255 100 F CB 1.112 40.132 39.000 0.033 0.000 1.072 100 F HN -0.384 7.230 8.300 -1.142 0.000 0.589 101 A N -0.264 122.438 122.820 -0.197 0.000 2.331 101 A HA 0.377 nan 4.320 nan 0.000 0.320 101 A C -2.679 174.815 177.584 -0.149 0.000 1.138 101 A CA -1.591 50.409 52.037 -0.062 0.000 0.790 101 A CB 1.540 20.494 19.000 -0.077 0.000 1.206 101 A HN -0.636 7.147 8.150 -0.611 0.000 0.470 102 N N 2.303 120.956 118.700 -0.079 0.000 2.446 102 N HA 0.498 nan 4.740 nan 0.000 0.265 102 N C -1.821 173.620 175.510 -0.114 0.000 0.975 102 N CA -0.964 52.020 53.050 -0.111 0.000 0.928 102 N CB 2.690 41.145 38.487 -0.054 0.000 1.160 102 N HN 0.425 8.688 8.380 -0.016 0.108 0.495 103 L N 6.576 127.697 121.223 -0.171 0.000 2.264 103 L HA 0.400 nan 4.340 nan 0.000 0.287 103 L C -1.461 175.346 176.870 -0.105 0.000 1.039 103 L CA -0.316 54.430 54.840 -0.157 0.000 0.829 103 L CB 0.050 41.951 42.059 -0.265 0.000 1.211 103 L HN 0.997 8.984 8.230 -0.223 0.109 0.427 104 R N 4.160 124.622 120.500 -0.064 0.000 2.312 104 R HA 0.521 nan 4.340 nan 0.000 0.310 104 R C -2.329 173.959 176.300 -0.020 0.000 1.064 104 R CA -3.387 52.691 56.100 -0.036 0.000 0.983 104 R CB 0.631 30.913 30.300 -0.030 0.000 1.139 104 R HN 0.529 8.762 8.270 -0.061 0.000 0.536 105 P HA 0.498 nan 4.420 nan 0.000 0.284 105 P C -1.838 175.453 177.300 -0.016 0.000 1.253 105 P CA -0.972 62.129 63.100 0.002 0.000 0.800 105 P CB 0.655 32.374 31.700 0.032 0.000 0.961 106 A N 3.684 126.486 122.820 -0.031 0.000 2.359 106 A HA 0.444 nan 4.320 nan 0.000 0.303 106 A C -2.532 174.995 177.584 -0.095 0.000 1.066 106 A CA -0.846 51.159 52.037 -0.054 0.000 0.730 106 A CB 2.864 21.847 19.000 -0.029 0.000 1.211 106 A HN 0.966 9.103 8.150 -0.022 0.000 0.439 107 K N 1.715 122.002 120.400 -0.188 0.000 2.535 107 K HA 0.321 nan 4.320 nan 0.000 0.251 107 K C -1.926 174.449 176.600 -0.375 0.000 0.942 107 K CA -0.980 55.142 56.287 -0.276 0.000 0.798 107 K CB 3.260 35.543 32.500 -0.362 0.000 1.267 107 K HN -0.127 8.001 8.250 -0.205 0.000 0.434 108 V N 5.146 124.926 119.914 -0.224 0.000 2.353 108 V HA 0.128 nan 4.120 nan 0.000 0.264 108 V C -0.644 175.383 176.094 -0.111 0.000 1.049 108 V CA -0.248 61.967 62.300 -0.142 0.000 0.896 108 V CB -0.785 31.011 31.823 -0.046 0.000 1.025 108 V HN 0.175 8.169 8.190 -0.156 0.103 0.475 109 F N 8.940 128.906 119.950 0.025 0.000 2.578 109 F HA 0.037 nan 4.527 nan 0.000 0.376 109 F C -1.351 174.458 175.800 0.016 0.000 1.085 109 F CA -2.620 55.394 58.000 0.023 0.000 1.260 109 F CB -0.496 38.522 39.000 0.030 0.000 1.095 109 F HN -0.282 7.953 8.300 -0.108 0.000 0.573 110 P HA -0.271 nan 4.420 nan 0.000 0.260 110 P C -0.692 176.668 177.300 0.100 0.000 1.172 110 P CA 1.207 64.377 63.100 0.117 0.000 0.760 110 P CB -0.407 31.348 31.700 0.092 0.000 0.773 111 G N 2.104 110.947 108.800 0.071 0.000 2.234 111 G HA2 -0.317 nan 3.960 nan 0.000 0.235 111 G HA3 -0.317 nan 3.960 nan 0.000 0.235 111 G C -0.099 174.839 174.900 0.063 0.000 0.997 111 G CA 0.486 45.619 45.100 0.055 0.000 0.623 111 G HN -0.151 8.516 8.290 0.061 -0.341 0.514 112 L N -1.420 119.858 121.223 0.092 0.000 2.928 112 L HA 0.278 nan 4.340 nan 0.000 0.246 112 L C 0.151 177.062 176.870 0.069 0.000 1.239 112 L CA -0.866 54.028 54.840 0.090 0.000 1.035 112 L CB 0.007 42.149 42.059 0.139 0.000 1.360 112 L HN 0.050 8.163 8.230 0.118 0.188 0.529 113 E N 0.358 120.589 120.200 0.052 0.000 2.268 113 E HA -0.223 nan 4.350 nan 0.000 0.195 113 E C 1.527 178.144 176.600 0.028 0.000 0.995 113 E CA 3.263 59.684 56.400 0.035 0.000 0.836 113 E CB -0.960 28.756 29.700 0.027 0.000 0.763 113 E HN 0.499 8.810 8.360 0.052 0.080 0.491 114 R N -1.201 119.316 120.500 0.029 0.000 2.159 114 R HA -0.238 nan 4.340 nan 0.000 0.237 114 R C 0.946 177.259 176.300 0.022 0.000 1.131 114 R CA 2.311 58.425 56.100 0.023 0.000 0.982 114 R CB -0.903 29.411 30.300 0.022 0.000 0.868 114 R HN 0.007 8.259 8.270 0.033 0.038 0.453 115 L N -1.364 119.875 121.223 0.027 0.000 2.240 115 L HA -0.079 nan 4.340 nan 0.000 0.211 115 L C 0.890 177.772 176.870 0.020 0.000 1.106 115 L CA 0.852 55.706 54.840 0.024 0.000 0.793 115 L CB 0.096 42.173 42.059 0.031 0.000 0.927 115 L HN -0.508 7.708 8.230 0.034 0.034 0.446 116 S N 0.282 115.993 115.700 0.019 0.000 2.563 116 S HA -0.067 nan 4.470 nan 0.000 0.284 116 S C -0.865 173.743 174.600 0.013 0.000 1.331 116 S CA -0.535 57.674 58.200 0.014 0.000 1.047 116 S CB 0.539 63.746 63.200 0.012 0.000 0.859 116 S HN -0.646 7.677 8.310 0.022 0.000 0.514 117 P HA 0.081 nan 4.420 nan 0.000 0.240 117 P C -1.177 176.130 177.300 0.011 0.000 1.190 117 P CA 0.422 63.529 63.100 0.011 0.000 0.781 117 P CB 0.450 32.156 31.700 0.010 0.000 0.931 118 L N -0.666 120.564 121.223 0.012 0.000 2.456 118 L HA 0.022 nan 4.340 nan 0.000 0.257 118 L C 0.404 177.281 176.870 0.010 0.000 1.162 118 L CA -0.836 54.011 54.840 0.012 0.000 0.808 118 L CB 0.555 42.622 42.059 0.014 0.000 1.136 118 L HN -0.469 7.719 8.230 0.012 0.049 0.466 119 K N 0.640 121.046 120.400 0.009 0.000 2.336 119 K HA -0.140 nan 4.320 nan 0.000 0.262 119 K C 0.798 177.403 176.600 0.007 0.000 0.992 119 K CA 0.734 57.026 56.287 0.008 0.000 0.927 119 K CB 0.759 33.263 32.500 0.006 0.000 0.956 119 K HN -0.056 8.200 8.250 0.010 0.000 0.495 120 E N 2.992 123.197 120.200 0.008 0.000 2.153 120 E HA -0.295 nan 4.350 nan 0.000 0.194 120 E C 1.938 178.541 176.600 0.004 0.000 0.988 120 E CA 3.387 59.791 56.400 0.008 0.000 0.811 120 E CB -0.231 29.475 29.700 0.010 0.000 0.746 120 E HN 0.577 8.941 8.360 0.008 0.000 0.466 121 E N -1.997 118.204 120.200 0.002 0.000 2.110 121 E HA -0.236 nan 4.350 nan 0.000 0.193 121 E C 1.449 178.046 176.600 -0.006 0.000 0.988 121 E CA 2.428 58.826 56.400 -0.003 0.000 0.804 121 E CB -0.661 29.036 29.700 -0.004 0.000 0.745 121 E HN 0.581 8.922 8.360 0.003 0.020 0.458 122 I N -1.608 118.960 120.570 -0.003 0.000 2.339 122 I HA -0.200 nan 4.170 nan 0.000 0.245 122 I C 0.762 176.877 176.117 -0.003 0.000 1.096 122 I CA 2.152 63.449 61.300 -0.004 0.000 1.408 122 I CB 0.290 38.292 38.000 0.003 0.000 1.092 122 I HN -0.798 7.393 8.210 0.000 0.019 0.423 123 A N -4.127 118.695 122.820 0.002 0.000 2.258 123 A HA -0.110 nan 4.320 nan 0.000 0.206 123 A C -0.920 176.663 177.584 -0.001 0.000 1.222 123 A CA 0.568 52.606 52.037 0.002 0.000 0.822 123 A CB -0.370 18.634 19.000 0.006 0.000 0.804 123 A HN -0.306 7.846 8.150 0.004 0.000 0.483 124 R N -2.852 117.646 120.500 -0.003 0.000 2.229 124 R HA 0.127 nan 4.340 nan 0.000 0.332 124 R C 0.299 176.593 176.300 -0.009 0.000 0.989 124 R CA -0.703 55.396 56.100 -0.002 0.000 0.842 124 R CB -0.382 29.919 30.300 0.003 0.000 1.119 124 R HN -0.826 7.347 8.270 -0.005 0.094 0.456 125 G N 2.861 111.655 108.800 -0.009 0.000 2.192 125 G HA2 -0.333 nan 3.960 nan 0.000 0.193 125 G HA3 -0.333 nan 3.960 nan 0.000 0.193 125 G C -1.031 173.857 174.900 -0.020 0.000 0.999 125 G CA -0.353 44.739 45.100 -0.014 0.000 0.659 125 G HN 0.463 8.750 8.290 -0.006 0.000 0.503 126 V N 1.947 121.846 119.914 -0.024 0.000 2.493 126 V HA -0.187 nan 4.120 nan 0.000 0.292 126 V C -0.919 175.149 176.094 -0.043 0.000 1.016 126 V CA 1.315 63.602 62.300 -0.022 0.000 1.097 126 V CB -0.422 31.389 31.823 -0.020 0.000 0.947 126 V HN -0.526 7.590 8.190 -0.022 0.060 0.479 127 D N 7.019 127.409 120.400 -0.017 0.000 3.407 127 D HA 0.078 nan 4.640 nan 0.000 0.291 127 D C -1.711 174.600 176.300 0.017 0.000 1.309 127 D CA 0.139 54.125 54.000 -0.022 0.000 0.747 127 D CB 1.506 42.299 40.800 -0.012 0.000 1.343 127 D HN 0.285 8.661 8.370 0.010 0.000 0.631 128 V N 1.908 121.839 119.914 0.028 0.000 2.509 128 V HA 0.664 nan 4.120 nan 0.000 0.284 128 V C -2.718 173.389 176.094 0.021 0.000 1.047 128 V CA -1.553 60.780 62.300 0.055 0.000 0.952 128 V CB 2.705 34.584 31.823 0.093 0.000 0.988 128 V HN -0.065 8.131 8.190 0.010 0.000 0.469 129 L N 9.026 130.259 121.223 0.017 0.000 2.325 129 L HA 0.743 nan 4.340 nan 0.000 0.281 129 L C -2.276 174.577 176.870 -0.029 0.000 1.004 129 L CA -1.072 53.768 54.840 0.000 0.000 0.823 129 L CB 3.355 45.426 42.059 0.020 0.000 1.236 129 L HN 0.638 8.884 8.230 0.027 0.000 0.415 130 I N 7.397 127.943 120.570 -0.040 0.000 2.321 130 I HA 0.406 nan 4.170 nan 0.000 0.291 130 I C -1.416 174.668 176.117 -0.055 0.000 0.998 130 I CA -0.695 60.572 61.300 -0.056 0.000 1.227 130 I CB 1.218 39.187 38.000 -0.053 0.000 1.368 130 I HN -0.250 7.940 8.210 -0.032 0.000 0.466 131 V N 8.205 128.085 119.914 -0.056 0.000 2.347 131 V HA 0.521 nan 4.120 nan 0.000 0.280 131 V C -1.746 174.348 176.094 0.001 0.000 1.021 131 V CA -1.460 60.814 62.300 -0.043 0.000 0.847 131 V CB -0.169 31.623 31.823 -0.052 0.000 0.990 131 V HN 1.143 9.186 8.190 -0.063 0.109 0.444 132 R N 6.039 126.547 120.500 0.012 0.000 2.494 132 R HA 0.727 nan 4.340 nan 0.000 0.305 132 R C -1.348 175.015 176.300 0.105 0.000 0.959 132 R CA -2.449 53.681 56.100 0.051 0.000 0.864 132 R CB 2.899 33.213 30.300 0.022 0.000 1.159 132 R HN 0.928 9.083 8.270 -0.012 0.108 0.446 133 E N 4.142 124.448 120.200 0.178 0.000 2.324 133 E HA -0.092 nan 4.350 nan 0.000 0.271 133 E C -0.518 176.225 176.600 0.239 0.000 1.028 133 E CA 0.716 57.272 56.400 0.259 0.000 0.890 133 E CB 0.285 30.204 29.700 0.366 0.000 1.004 133 E HN -0.274 8.193 8.360 0.178 0.000 0.431 134 L N 4.371 125.752 121.223 0.263 0.000 2.357 134 L HA 0.210 nan 4.340 nan 0.000 0.211 134 L C 1.218 178.349 176.870 0.436 0.000 1.075 134 L CA 0.981 55.991 54.840 0.283 0.000 0.830 134 L CB 0.766 42.948 42.059 0.205 0.000 0.996 134 L HN 0.518 8.813 8.230 0.283 0.105 0.467 135 T N -6.581 108.210 114.554 0.395 0.000 3.065 135 T HA 0.113 nan 4.350 nan 0.000 0.252 135 T C 0.397 175.394 174.700 0.495 0.000 1.099 135 T CA 0.117 62.444 62.100 0.379 0.000 1.063 135 T CB 0.446 69.430 68.868 0.193 0.000 0.948 135 T HN -0.600 7.990 8.240 0.358 -0.135 0.506 136 G N 1.617 110.684 108.800 0.444 0.000 3.008 136 G HA2 0.477 nan 3.960 nan 0.000 0.181 136 G HA3 0.477 nan 3.960 nan 0.000 0.181 136 G C -1.028 173.798 174.900 -0.123 0.000 1.309 136 G CA -1.613 43.622 45.100 0.225 0.000 1.009 136 G HN -0.519 8.389 8.290 0.448 -0.349 0.584 137 G N -1.063 107.262 108.800 -0.791 0.000 2.760 137 G HA2 -0.346 nan 3.960 nan 0.000 0.246 137 G HA3 -0.346 nan 3.960 nan 0.000 0.246 137 G C 0.260 174.860 174.900 -0.501 0.000 1.359 137 G CA -0.435 44.218 45.100 -0.746 0.000 0.861 137 G HN -0.594 6.897 8.290 -1.332 0.000 0.541 138 I N 1.363 121.660 120.570 -0.455 0.000 2.700 138 I HA -0.329 nan 4.170 nan 0.000 0.261 138 I C 1.543 177.553 176.117 -0.178 0.000 1.219 138 I CA 2.180 63.312 61.300 -0.279 0.000 1.463 138 I CB -0.023 37.833 38.000 -0.239 0.000 1.092 138 I HN -0.174 7.863 8.210 -0.518 -0.137 0.452 139 Y N -0.796 119.175 120.300 -0.550 0.000 2.274 139 Y HA -0.280 nan 4.550 nan 0.000 0.290 139 Y C 0.858 176.269 175.900 -0.814 0.000 1.145 139 Y CA 1.117 58.729 58.100 -0.814 0.000 1.203 139 Y CB -0.419 37.287 38.460 -1.257 0.000 0.984 139 Y HN -0.114 7.805 8.280 -0.503 0.059 0.533 140 F N -5.807 114.179 119.950 0.061 0.000 2.815 140 F HA 0.263 nan 4.527 nan 0.000 0.335 140 F C -0.253 175.524 175.800 -0.038 0.000 1.179 140 F CA -1.432 56.570 58.000 0.004 0.000 1.204 140 F CB -0.191 38.816 39.000 0.012 0.000 1.050 140 F HN -0.745 7.303 8.300 -0.393 0.017 0.510 141 G N -0.168 108.639 108.800 0.012 0.000 2.448 141 G HA2 -0.041 nan 3.960 nan 0.000 0.285 141 G HA3 -0.041 nan 3.960 nan 0.000 0.285 141 G C -1.754 173.150 174.900 0.007 0.000 1.176 141 G CA -0.680 44.406 45.100 -0.023 0.000 0.852 141 G HN -0.886 7.266 8.290 -0.058 0.103 0.530 142 E N -0.637 119.572 120.200 0.015 0.000 2.340 142 E HA 0.306 nan 4.350 nan 0.000 0.273 142 E C -2.025 174.600 176.600 0.043 0.000 0.891 142 E CA -3.620 52.803 56.400 0.039 0.000 0.757 142 E CB 3.273 32.997 29.700 0.040 0.000 1.231 142 E HN -0.137 8.224 8.360 0.002 0.000 0.439 143 P HA 0.052 nan 4.420 nan 0.000 0.269 143 P C -2.064 175.346 177.300 0.184 0.000 1.209 143 P CA 0.166 63.361 63.100 0.159 0.000 0.776 143 P CB 0.546 32.367 31.700 0.203 0.000 0.876 144 R N -1.219 119.350 120.500 0.115 0.000 2.508 144 R HA 0.397 nan 4.340 nan 0.000 0.283 144 R C -1.446 174.622 176.300 -0.387 0.000 1.120 144 R CA -0.682 55.344 56.100 -0.123 0.000 0.958 144 R CB 2.251 32.494 30.300 -0.095 0.000 1.215 144 R HN -0.191 8.156 8.270 0.129 0.000 0.427 145 G N 1.004 109.097 108.800 -1.179 0.000 2.576 145 G HA2 0.261 nan 3.960 nan 0.000 0.290 145 G HA3 0.261 nan 3.960 nan 0.000 0.290 145 G C -3.647 170.012 174.900 -2.069 0.000 1.442 145 G CA -0.111 44.189 45.100 -1.333 0.000 0.792 145 G HN 0.196 7.449 8.290 -1.548 0.109 0.491 146 M N -0.412 118.487 119.600 -1.170 0.000 2.518 146 M HA 0.822 nan 4.480 nan 0.000 0.300 146 M C -1.834 174.328 176.300 -0.229 0.000 1.175 146 M CA -1.900 52.975 55.300 -0.708 0.000 0.890 146 M CB 3.281 35.673 32.600 -0.346 0.000 1.710 146 M HN -0.050 7.817 8.290 -0.704 0.000 0.453 147 S N 4.124 119.878 115.700 0.090 0.000 3.379 147 S HA 0.421 nan 4.470 nan 0.000 0.273 147 S C -0.314 174.348 174.600 0.103 0.000 1.027 147 S CA -0.223 58.099 58.200 0.203 0.000 1.098 147 S CB 2.028 65.448 63.200 0.366 0.000 1.317 147 S HN 0.863 9.233 8.310 0.101 0.000 0.715 148 E N -0.093 120.167 120.200 0.100 0.000 2.340 148 E HA 0.100 nan 4.350 nan 0.000 0.198 148 E C -0.524 176.111 176.600 0.060 0.000 0.961 148 E CA 0.320 56.755 56.400 0.059 0.000 0.905 148 E CB 0.744 30.471 29.700 0.046 0.000 0.884 148 E HN 0.458 8.890 8.360 0.119 0.000 0.491 149 A N -1.119 121.750 122.820 0.081 0.000 2.167 149 A HA 0.114 nan 4.320 nan 0.000 0.208 149 A C -0.600 177.040 177.584 0.093 0.000 1.198 149 A CA 0.747 52.824 52.037 0.068 0.000 0.863 149 A CB 1.384 20.412 19.000 0.048 0.000 0.904 149 A HN -0.377 7.837 8.150 0.106 0.000 0.484 150 E N -3.121 117.178 120.200 0.166 0.000 2.430 150 E HA 0.295 nan 4.350 nan 0.000 0.279 150 E C -2.613 174.206 176.600 0.365 0.000 1.003 150 E CA -1.348 55.185 56.400 0.223 0.000 0.801 150 E CB 2.757 32.574 29.700 0.195 0.000 1.313 150 E HN -0.031 8.451 8.360 0.204 0.000 0.459 151 A N -0.294 122.714 122.820 0.313 0.000 2.475 151 A HA 0.792 nan 4.320 nan 0.000 0.301 151 A C -2.118 175.649 177.584 0.305 0.000 1.059 151 A CA -0.927 51.184 52.037 0.123 0.000 0.710 151 A CB 1.937 20.903 19.000 -0.057 0.000 1.288 151 A HN 0.197 8.498 8.150 0.251 0.000 0.408 152 W N 1.517 122.805 121.300 -0.019 0.000 3.031 152 W HA 0.321 nan 4.660 nan 0.000 0.337 152 W C -2.404 174.099 176.519 -0.027 0.000 1.187 152 W CA -1.979 55.352 57.345 -0.023 0.000 1.166 152 W CB 2.270 31.717 29.460 -0.022 0.000 1.437 152 W HN 1.030 8.666 8.180 -0.731 0.105 0.551 153 N N -0.960 117.801 118.700 0.102 0.000 2.516 153 N HA 0.253 nan 4.740 nan 0.000 0.268 153 N C -1.769 173.757 175.510 0.027 0.000 1.096 153 N CA 0.306 53.356 53.050 -0.001 0.000 0.954 153 N CB 3.799 42.252 38.487 -0.057 0.000 1.676 153 N HN -0.072 8.416 8.380 0.181 0.000 0.490 154 T N 3.781 118.339 114.554 0.007 0.000 2.743 154 T HA 0.151 nan 4.350 nan 0.000 0.292 154 T C -1.169 173.479 174.700 -0.087 0.000 0.972 154 T CA -0.297 61.793 62.100 -0.017 0.000 0.967 154 T CB 0.802 69.673 68.868 0.006 0.000 0.926 154 T HN 0.026 8.266 8.240 0.000 0.000 0.459 155 E N 6.580 126.715 120.200 -0.109 0.000 2.129 155 E HA -0.076 nan 4.350 nan 0.000 0.283 155 E C -1.403 175.097 176.600 -0.167 0.000 1.080 155 E CA -0.072 56.218 56.400 -0.183 0.000 0.867 155 E CB 0.677 30.278 29.700 -0.166 0.000 1.056 155 E HN 0.325 8.639 8.360 -0.077 0.000 0.404 156 R N 5.436 125.783 120.500 -0.255 0.000 2.621 156 R HA 0.323 nan 4.340 nan 0.000 0.284 156 R C -1.972 174.149 176.300 -0.299 0.000 0.998 156 R CA -0.471 55.512 56.100 -0.195 0.000 0.895 156 R CB 2.970 33.196 30.300 -0.125 0.000 1.195 156 R HN 0.036 8.095 8.270 -0.353 0.000 0.450 157 Y N 1.126 121.431 120.300 0.007 0.000 2.553 157 Y HA 0.277 nan 4.550 nan 0.000 0.347 157 Y C -1.261 174.669 175.900 0.049 0.000 1.019 157 Y CA -1.147 57.024 58.100 0.118 0.000 1.032 157 Y CB 3.161 41.820 38.460 0.332 0.000 1.284 157 Y HN 0.090 8.370 8.280 0.000 0.000 0.466 158 S N 0.634 116.600 115.700 0.443 0.000 2.599 158 S HA 0.468 nan 4.470 nan 0.000 0.287 158 S C -0.255 174.608 174.600 0.438 0.000 1.105 158 S CA -1.708 56.690 58.200 0.331 0.000 0.899 158 S CB 3.426 66.724 63.200 0.163 0.000 1.100 158 S HN 0.040 8.763 8.310 0.556 -0.080 0.482 159 K N 2.080 122.748 120.400 0.447 0.000 2.074 159 K HA -0.164 nan 4.320 nan 0.000 0.209 159 K C -0.329 176.270 176.600 -0.002 0.000 1.048 159 K CA 4.357 60.729 56.287 0.143 0.000 0.926 159 K CB -1.526 31.042 32.500 0.112 0.000 0.713 159 K HN 0.682 9.222 8.250 0.483 0.000 0.444 160 P HA -0.159 nan 4.420 nan 0.000 0.217 160 P C 1.649 178.889 177.300 -0.100 0.000 1.150 160 P CA 2.848 65.922 63.100 -0.044 0.000 0.832 160 P CB -0.337 31.351 31.700 -0.019 0.000 0.787 161 E N -1.449 118.732 120.200 -0.032 0.000 2.046 161 E HA -0.246 nan 4.350 nan 0.000 0.190 161 E C 2.571 179.057 176.600 -0.190 0.000 0.982 161 E CA 3.049 59.423 56.400 -0.044 0.000 0.800 161 E CB -0.118 29.702 29.700 0.200 0.000 0.756 161 E HN -0.668 7.724 8.360 0.054 0.000 0.449 162 V N -0.691 119.047 119.914 -0.292 0.000 2.548 162 V HA -0.313 nan 4.120 nan 0.000 0.249 162 V C 2.187 177.960 176.094 -0.534 0.000 1.055 162 V CA 4.027 65.914 62.300 -0.689 0.000 1.065 162 V CB -1.073 30.226 31.823 -0.874 0.000 0.681 162 V HN -0.113 7.991 8.190 -0.143 0.000 0.462 163 E N -0.885 119.116 120.200 -0.331 0.000 2.047 163 E HA -0.338 nan 4.350 nan 0.000 0.191 163 E C 2.338 178.841 176.600 -0.163 0.000 0.987 163 E CA 3.505 59.772 56.400 -0.223 0.000 0.799 163 E CB -0.231 29.377 29.700 -0.153 0.000 0.752 163 E HN -0.115 8.083 8.360 -0.270 0.000 0.449 164 R N -2.695 117.681 120.500 -0.208 0.000 2.096 164 R HA -0.200 nan 4.340 nan 0.000 0.235 164 R C 2.285 178.559 176.300 -0.044 0.000 1.127 164 R CA 2.829 58.807 56.100 -0.202 0.000 0.968 164 R CB -0.493 29.493 30.300 -0.524 0.000 0.861 164 R HN -0.614 7.508 8.270 -0.246 0.000 0.440 165 V N -0.408 119.462 119.914 -0.074 0.000 2.453 165 V HA -0.190 nan 4.120 nan 0.000 0.247 165 V C 1.226 177.326 176.094 0.011 0.000 1.048 165 V CA 2.604 64.963 62.300 0.098 0.000 1.049 165 V CB -0.697 31.186 31.823 0.100 0.000 0.672 165 V HN -0.635 7.435 8.190 -0.199 0.000 0.457 166 A N -0.358 122.399 122.820 -0.105 0.000 1.908 166 A HA -0.382 nan 4.320 nan 0.000 0.218 166 A C 1.752 179.348 177.584 0.019 0.000 1.181 166 A CA 3.184 55.161 52.037 -0.101 0.000 0.627 166 A CB -0.855 18.069 19.000 -0.126 0.000 0.818 166 A HN -0.436 7.596 8.150 -0.196 0.000 0.445 167 R N -2.314 118.238 120.500 0.086 0.000 2.081 167 R HA -0.308 nan 4.340 nan 0.000 0.235 167 R C 1.901 178.256 176.300 0.092 0.000 1.131 167 R CA 3.607 59.793 56.100 0.143 0.000 0.960 167 R CB 0.125 30.524 30.300 0.166 0.000 0.856 167 R HN -0.389 7.900 8.270 0.044 0.008 0.436 168 V N -4.082 115.885 119.914 0.087 0.000 2.594 168 V HA -0.164 nan 4.120 nan 0.000 0.253 168 V C 1.349 177.435 176.094 -0.013 0.000 1.069 168 V CA 2.523 64.858 62.300 0.058 0.000 1.082 168 V CB -0.935 30.919 31.823 0.052 0.000 0.680 168 V HN -0.550 7.620 8.190 0.111 0.087 0.469 169 A N 0.502 123.270 122.820 -0.087 0.000 1.897 169 A HA -0.156 nan 4.320 nan 0.000 0.215 169 A C 1.855 179.276 177.584 -0.272 0.000 1.181 169 A CA 2.771 54.690 52.037 -0.198 0.000 0.620 169 A CB -0.647 18.174 19.000 -0.299 0.000 0.821 169 A HN -0.779 7.203 8.150 -0.071 0.126 0.443 170 F N -1.494 118.286 119.950 -0.284 0.000 2.084 170 F HA -0.374 nan 4.527 nan 0.000 0.296 170 F C 2.165 177.784 175.800 -0.301 0.000 1.111 170 F CA 4.182 61.890 58.000 -0.487 0.000 1.224 170 F CB -0.314 37.938 39.000 -1.247 0.000 0.991 170 F HN -0.210 7.947 8.300 -0.238 0.000 0.471 171 E N -2.136 118.068 120.200 0.006 0.000 2.130 171 E HA -0.443 nan 4.350 nan 0.000 0.196 171 E C 2.506 179.176 176.600 0.117 0.000 0.998 171 E CA 3.045 59.529 56.400 0.140 0.000 0.806 171 E CB -0.695 29.105 29.700 0.167 0.000 0.738 171 E HN 0.023 8.371 8.360 -0.020 0.000 0.459 172 A N -1.822 121.047 122.820 0.081 0.000 1.930 172 A HA -0.139 nan 4.320 nan 0.000 0.217 172 A C 1.539 179.170 177.584 0.077 0.000 1.175 172 A CA 2.430 54.537 52.037 0.116 0.000 0.627 172 A CB -0.735 18.319 19.000 0.091 0.000 0.815 172 A HN -0.450 7.625 8.150 0.037 0.097 0.443 173 A N -1.607 121.230 122.820 0.028 0.000 1.877 173 A HA -0.305 nan 4.320 nan 0.000 0.216 173 A C 2.319 179.949 177.584 0.078 0.000 1.186 173 A CA 2.694 54.752 52.037 0.034 0.000 0.620 173 A CB -0.713 18.289 19.000 0.003 0.000 0.822 173 A HN -0.330 7.711 8.150 -0.011 0.103 0.443 174 R N -2.834 117.729 120.500 0.106 0.000 2.117 174 R HA -0.339 nan 4.340 nan 0.000 0.243 174 R C 2.093 178.442 176.300 0.081 0.000 1.143 174 R CA 2.958 59.126 56.100 0.114 0.000 0.968 174 R CB -0.066 30.323 30.300 0.149 0.000 0.863 174 R HN -0.385 7.954 8.270 0.114 0.000 0.444 175 K N -4.255 116.187 120.400 0.070 0.000 2.486 175 K HA -0.139 nan 4.320 nan 0.000 0.194 175 K C 0.141 176.763 176.600 0.037 0.000 1.033 175 K CA 1.431 57.742 56.287 0.040 0.000 1.004 175 K CB -0.308 32.197 32.500 0.009 0.000 0.798 175 K HN -0.395 7.889 8.250 0.081 0.015 0.495 176 R N -1.297 119.234 120.500 0.053 0.000 2.618 176 R HA 0.124 nan 4.340 nan 0.000 0.108 176 R C 0.534 176.867 176.300 0.055 0.000 1.220 176 R CA -0.695 55.435 56.100 0.051 0.000 1.020 176 R CB 0.759 31.093 30.300 0.058 0.000 0.950 176 R HN -0.056 8.030 8.270 0.063 0.221 0.397 177 R N -0.668 119.869 120.500 0.062 0.000 2.356 177 R HA 0.111 nan 4.340 nan 0.000 0.234 177 R C -0.182 176.171 176.300 0.087 0.000 0.929 177 R CA -0.258 55.881 56.100 0.065 0.000 1.084 177 R CB -0.252 30.084 30.300 0.060 0.000 1.105 177 R HN -0.066 8.622 8.270 0.064 -0.380 0.515 178 K N -6.762 113.695 120.400 0.094 0.000 3.529 178 K HA -0.431 nan 4.320 nan 0.000 0.313 178 K C -1.239 175.460 176.600 0.165 0.000 1.316 178 K CA 1.873 58.231 56.287 0.118 0.000 0.988 178 K CB -2.066 30.497 32.500 0.104 0.000 1.252 178 K HN -0.154 8.062 8.250 0.082 0.083 0.438 179 H N -0.948 118.144 119.070 0.036 0.000 2.479 179 H HA 0.632 nan 4.556 nan 0.000 0.335 179 H C -1.999 173.326 175.328 -0.005 0.000 1.142 179 H CA -0.469 55.596 56.048 0.028 0.000 1.234 179 H CB 2.257 32.035 29.762 0.028 0.000 1.503 179 H HN -0.843 7.633 8.280 0.196 -0.078 0.510 180 V N 5.223 124.820 119.914 -0.528 0.000 2.876 180 V HA 0.623 nan 4.120 nan 0.000 0.312 180 V C -1.942 173.743 176.094 -0.682 0.000 1.085 180 V CA -0.920 61.051 62.300 -0.549 0.000 0.945 180 V CB 4.253 35.727 31.823 -0.581 0.000 1.017 180 V HN 0.923 8.710 8.190 -0.500 0.103 0.428 181 V N 5.806 125.445 119.914 -0.458 0.000 2.488 181 V HA 0.526 nan 4.120 nan 0.000 0.293 181 V C -1.639 174.346 176.094 -0.182 0.000 1.027 181 V CA -1.449 60.669 62.300 -0.304 0.000 0.862 181 V CB 2.365 34.054 31.823 -0.224 0.000 1.008 181 V HN 0.786 8.747 8.190 -0.382 0.000 0.428 182 S N 6.667 122.323 115.700 -0.074 0.000 2.565 182 S HA 0.592 nan 4.470 nan 0.000 0.274 182 S C -1.682 172.960 174.600 0.070 0.000 1.309 182 S CA -0.870 57.396 58.200 0.110 0.000 1.043 182 S CB 1.415 64.846 63.200 0.386 0.000 0.939 182 S HN 0.136 8.378 8.310 -0.113 0.000 0.504 183 V N 5.718 125.619 119.914 -0.022 0.000 2.487 183 V HA 0.636 nan 4.120 nan 0.000 0.298 183 V C -1.588 174.390 176.094 -0.194 0.000 1.028 183 V CA -1.187 61.037 62.300 -0.126 0.000 0.860 183 V CB 1.852 33.554 31.823 -0.201 0.000 0.991 183 V HN 0.208 8.389 8.190 -0.016 0.000 0.427 184 D N 7.069 127.408 120.400 -0.103 0.000 2.812 184 D HA 0.321 nan 4.640 nan 0.000 0.318 184 D C -2.103 174.252 176.300 0.091 0.000 1.234 184 D CA -0.558 53.423 54.000 -0.031 0.000 0.989 184 D CB 3.106 43.910 40.800 0.006 0.000 1.442 184 D HN 0.537 8.877 8.370 -0.050 0.000 0.537 185 K N -0.821 119.675 120.400 0.160 0.000 3.237 185 K HA 0.304 nan 4.320 nan 0.000 0.197 185 K C -0.192 176.427 176.600 0.032 0.000 1.133 185 K CA -2.177 54.146 56.287 0.059 0.000 0.944 185 K CB -0.528 32.032 32.500 0.100 0.000 0.952 185 K HN 0.165 8.528 8.250 0.189 0.000 0.515 186 A N 0.103 123.025 122.820 0.171 0.000 2.070 186 A HA -0.225 nan 4.320 nan 0.000 0.220 186 A C 0.121 177.724 177.584 0.033 0.000 1.159 186 A CA 2.678 54.814 52.037 0.165 0.000 0.656 186 A CB -0.498 18.662 19.000 0.267 0.000 0.800 186 A HN -0.225 8.367 8.150 0.367 -0.221 0.453 187 N N -4.679 113.864 118.700 -0.261 0.000 2.550 187 N HA -0.134 nan 4.740 nan 0.000 0.186 187 N C 0.441 175.849 175.510 -0.170 0.000 1.110 187 N CA 1.432 54.314 53.050 -0.281 0.000 0.912 187 N CB 0.030 38.150 38.487 -0.612 0.000 0.968 187 N HN -0.141 7.823 8.380 -0.633 0.037 0.448 188 V N -8.733 111.100 119.914 -0.134 0.000 3.309 188 V HA 0.236 nan 4.120 nan 0.000 0.268 188 V C -0.926 175.154 176.094 -0.023 0.000 1.631 188 V CA 0.339 62.595 62.300 -0.072 0.000 1.018 188 V CB 1.927 33.699 31.823 -0.086 0.000 0.841 188 V HN -0.618 7.435 8.190 -0.139 0.054 0.418 189 L N 0.626 121.849 121.223 -0.000 0.000 2.322 189 L HA 0.393 nan 4.340 nan 0.000 0.281 189 L C 0.141 177.051 176.870 0.065 0.000 1.014 189 L CA -0.796 54.065 54.840 0.034 0.000 0.815 189 L CB 1.865 43.955 42.059 0.052 0.000 1.247 189 L HN -0.295 7.929 8.230 -0.010 0.000 0.421 190 E N 3.948 124.183 120.200 0.058 0.000 2.160 190 E HA -0.326 nan 4.350 nan 0.000 0.195 190 E C 1.757 178.438 176.600 0.135 0.000 0.991 190 E CA 3.237 59.682 56.400 0.076 0.000 0.810 190 E CB -0.393 29.329 29.700 0.037 0.000 0.742 190 E HN 0.653 9.035 8.360 0.037 0.000 0.466 191 V N -1.513 118.485 119.914 0.139 0.000 2.548 191 V HA -0.146 nan 4.120 nan 0.000 0.249 191 V C 2.177 178.479 176.094 0.346 0.000 1.055 191 V CA 3.299 65.747 62.300 0.247 0.000 1.065 191 V CB -0.994 30.956 31.823 0.211 0.000 0.681 191 V HN -0.005 8.216 8.190 0.095 0.027 0.462 192 G N -0.699 108.241 108.800 0.233 0.000 2.408 192 G HA2 -0.334 nan 3.960 nan 0.000 0.217 192 G HA3 -0.334 nan 3.960 nan 0.000 0.217 192 G C 0.888 175.927 174.900 0.232 0.000 1.150 192 G CA 2.058 47.291 45.100 0.221 0.000 0.776 192 G HN -0.526 7.766 8.290 0.171 0.101 0.542 193 E N 2.725 123.047 120.200 0.203 0.000 2.072 193 E HA -0.282 nan 4.350 nan 0.000 0.191 193 E C 1.462 178.177 176.600 0.192 0.000 0.985 193 E CA 2.378 58.875 56.400 0.162 0.000 0.801 193 E CB -0.030 29.753 29.700 0.138 0.000 0.750 193 E HN -0.600 7.871 8.360 0.186 0.000 0.452 194 F N 1.449 121.467 119.950 0.112 0.000 2.134 194 F HA -0.345 nan 4.527 nan 0.000 0.299 194 F C 1.076 176.947 175.800 0.119 0.000 1.097 194 F CA 3.414 61.475 58.000 0.102 0.000 1.264 194 F CB 0.312 39.382 39.000 0.116 0.000 1.001 194 F HN -0.638 7.899 8.300 0.394 0.000 0.479 195 W N -1.000 120.311 121.300 0.018 0.000 2.355 195 W HA -0.447 nan 4.660 nan 0.000 0.309 195 W C 1.482 177.896 176.519 -0.176 0.000 1.206 195 W CA 3.974 61.243 57.345 -0.127 0.000 1.284 195 W CB 0.077 29.521 29.460 -0.026 0.000 1.145 195 W HN 0.397 8.711 8.180 0.525 0.181 0.502 196 R N -0.355 120.247 120.500 0.170 0.000 2.080 196 R HA -0.541 nan 4.340 nan 0.000 0.236 196 R C 1.946 178.154 176.300 -0.152 0.000 1.137 196 R CA 4.191 60.225 56.100 -0.111 0.000 0.943 196 R CB -0.012 30.136 30.300 -0.254 0.000 0.846 196 R HN -0.114 8.301 8.270 0.241 0.000 0.431 197 K N -3.281 117.047 120.400 -0.120 0.000 2.097 197 K HA -0.254 nan 4.320 nan 0.000 0.206 197 K C 2.412 178.914 176.600 -0.162 0.000 1.049 197 K CA 3.190 59.415 56.287 -0.104 0.000 0.933 197 K CB -0.687 31.769 32.500 -0.074 0.000 0.717 197 K HN 0.026 8.228 8.250 -0.081 0.000 0.442 198 T N 2.703 117.060 114.554 -0.328 0.000 2.777 198 T HA -0.141 nan 4.350 nan 0.000 0.266 198 T C 2.220 176.762 174.700 -0.265 0.000 1.040 198 T CA 4.529 66.395 62.100 -0.391 0.000 1.141 198 T CB -0.317 68.138 68.868 -0.689 0.000 0.868 198 T HN -0.537 7.458 8.240 -0.409 0.000 0.444 199 V N 1.757 121.525 119.914 -0.243 0.000 2.427 199 V HA -0.354 nan 4.120 nan 0.000 0.248 199 V C 1.683 177.850 176.094 0.120 0.000 1.051 199 V CA 4.227 66.486 62.300 -0.069 0.000 1.048 199 V CB -0.906 30.912 31.823 -0.007 0.000 0.666 199 V HN 0.156 8.166 8.190 -0.300 0.000 0.456 200 E N -0.726 119.553 120.200 0.133 0.000 2.118 200 E HA -0.381 nan 4.350 nan 0.000 0.195 200 E C 2.171 178.805 176.600 0.057 0.000 0.992 200 E CA 3.043 59.541 56.400 0.163 0.000 0.804 200 E CB -0.508 29.297 29.700 0.174 0.000 0.741 200 E HN 0.006 8.324 8.360 0.076 0.088 0.458 201 E N -0.791 119.407 120.200 -0.003 0.000 2.016 201 E HA -0.255 nan 4.350 nan 0.000 0.190 201 E C 2.921 179.492 176.600 -0.049 0.000 0.985 201 E CA 2.584 58.963 56.400 -0.035 0.000 0.802 201 E CB 0.019 29.682 29.700 -0.062 0.000 0.762 201 E HN -0.630 7.603 8.360 -0.028 0.110 0.448 202 V N 0.158 120.048 119.914 -0.041 0.000 2.380 202 V HA -0.372 nan 4.120 nan 0.000 0.251 202 V C 2.412 178.396 176.094 -0.183 0.000 1.063 202 V CA 4.004 66.284 62.300 -0.033 0.000 1.055 202 V CB -1.162 30.689 31.823 0.047 0.000 0.657 202 V HN -0.320 7.842 8.190 -0.045 0.000 0.455 203 G N -2.265 106.403 108.800 -0.221 0.000 2.450 203 G HA2 -0.316 nan 3.960 nan 0.000 0.220 203 G HA3 -0.316 nan 3.960 nan 0.000 0.220 203 G C 0.940 175.677 174.900 -0.272 0.000 1.130 203 G CA 1.781 46.574 45.100 -0.512 0.000 0.760 203 G HN 0.394 8.673 8.290 -0.003 0.009 0.557 204 R N 0.642 121.065 120.500 -0.129 0.000 2.346 204 R HA -0.133 nan 4.340 nan 0.000 0.199 204 R C 0.847 177.071 176.300 -0.126 0.000 1.015 204 R CA 0.877 56.922 56.100 -0.092 0.000 1.058 204 R CB -0.457 29.809 30.300 -0.057 0.000 0.921 204 R HN -0.030 8.036 8.270 -0.095 0.146 0.475 205 G N -2.116 106.583 108.800 -0.168 0.000 2.921 205 G HA2 0.086 nan 3.960 nan 0.000 0.213 205 G HA3 0.086 nan 3.960 nan 0.000 0.213 205 G C -0.934 173.637 174.900 -0.549 0.000 1.143 205 G CA 0.181 45.092 45.100 -0.316 0.000 0.764 205 G HN -0.049 7.943 8.290 -0.153 0.206 0.542 206 Y N -0.687 119.423 120.300 -0.318 0.000 2.584 206 Y HA 0.425 nan 4.550 nan 0.000 0.358 206 Y C -1.777 174.033 175.900 -0.149 0.000 1.028 206 Y CA -4.176 53.788 58.100 -0.227 0.000 1.148 206 Y CB -0.477 37.805 38.460 -0.297 0.000 1.126 206 Y HN -0.310 7.757 8.280 -0.087 0.161 0.658 207 P HA -0.236 nan 4.420 nan 0.000 0.224 207 P C -0.797 176.528 177.300 0.041 0.000 1.142 207 P CA 2.070 65.172 63.100 0.003 0.000 0.778 207 P CB -0.506 31.181 31.700 -0.022 0.000 0.764 208 D N -4.181 116.261 120.400 0.070 0.000 2.216 208 D HA -0.124 nan 4.640 nan 0.000 0.208 208 D C 0.084 176.457 176.300 0.122 0.000 0.960 208 D CA 0.207 54.258 54.000 0.085 0.000 0.861 208 D CB -0.284 40.567 40.800 0.085 0.000 0.985 208 D HN -0.045 8.262 8.370 0.080 0.111 0.493 209 V N 2.575 122.596 119.914 0.178 0.000 2.479 209 V HA -0.140 nan 4.120 nan 0.000 0.281 209 V C -0.379 175.852 176.094 0.229 0.000 1.031 209 V CA 0.069 62.507 62.300 0.230 0.000 1.038 209 V CB -0.762 31.283 31.823 0.370 0.000 0.981 209 V HN -0.441 7.766 8.190 0.193 0.098 0.478 210 A N 8.823 131.779 122.820 0.228 0.000 2.454 210 A HA 0.147 nan 4.320 nan 0.000 0.260 210 A C -2.150 175.616 177.584 0.303 0.000 1.106 210 A CA 0.333 52.527 52.037 0.262 0.000 0.780 210 A CB 0.787 19.948 19.000 0.267 0.000 1.044 210 A HN 0.430 8.710 8.150 0.217 0.000 0.498 211 L N 3.251 124.584 121.223 0.183 0.000 2.356 211 L HA 0.630 nan 4.340 nan 0.000 0.277 211 L C -1.458 175.391 176.870 -0.035 0.000 0.996 211 L CA -1.432 53.429 54.840 0.036 0.000 0.822 211 L CB 2.560 44.661 42.059 0.069 0.000 1.256 211 L HN -0.069 8.252 8.230 0.151 0.000 0.413 212 E N 6.061 126.205 120.200 -0.094 0.000 2.288 212 E HA 0.297 nan 4.350 nan 0.000 0.268 212 E C -2.099 174.373 176.600 -0.213 0.000 0.885 212 E CA -1.866 54.488 56.400 -0.077 0.000 0.767 212 E CB 3.584 33.375 29.700 0.152 0.000 1.220 212 E HN 0.489 8.737 8.360 -0.185 0.000 0.427 213 H N 1.039 120.109 119.070 0.000 0.000 2.472 213 H HA 0.643 nan 4.556 nan 0.000 0.338 213 H C -0.355 174.891 175.328 -0.137 0.000 1.133 213 H CA -0.539 55.477 56.048 -0.054 0.000 1.216 213 H CB 1.561 31.294 29.762 -0.049 0.000 1.497 213 H HN 0.242 8.512 8.280 -0.017 0.000 0.500 214 Q N 2.341 122.120 119.800 -0.036 0.000 2.289 214 Q HA 0.277 nan 4.340 nan 0.000 0.270 214 Q C -1.553 174.342 176.000 -0.175 0.000 1.038 214 Q CA -1.454 54.256 55.803 -0.155 0.000 0.812 214 Q CB 4.136 32.841 28.738 -0.055 0.000 1.300 214 Q HN 0.670 8.954 8.270 0.022 0.000 0.427 215 Y N 1.296 121.550 120.300 -0.077 0.000 2.511 215 Y HA -0.090 nan 4.550 nan 0.000 0.332 215 Y C 0.814 176.550 175.900 -0.273 0.000 1.177 215 Y CA -0.066 57.940 58.100 -0.156 0.000 1.422 215 Y CB -0.325 38.064 38.460 -0.118 0.000 1.271 215 Y HN 0.330 8.366 8.280 -0.407 0.000 0.550 216 V N 5.061 124.823 119.914 -0.254 0.000 2.317 216 V HA -0.533 nan 4.120 nan 0.000 0.251 216 V C 0.577 176.450 176.094 -0.368 0.000 1.065 216 V CA 3.748 65.732 62.300 -0.526 0.000 1.049 216 V CB -0.234 30.798 31.823 -1.319 0.000 0.651 216 V HN 0.609 8.546 8.190 -0.238 0.111 0.450 217 D N -2.589 117.653 120.400 -0.263 0.000 2.117 217 D HA -0.311 nan 4.640 nan 0.000 0.198 217 D C 1.577 177.762 176.300 -0.192 0.000 0.982 217 D CA 3.288 57.173 54.000 -0.192 0.000 0.828 217 D CB -1.181 39.539 40.800 -0.134 0.000 0.967 217 D HN 0.135 8.355 8.370 -0.231 0.012 0.464 218 A N -0.525 122.187 122.820 -0.181 0.000 1.933 218 A HA -0.253 nan 4.320 nan 0.000 0.218 218 A C 2.258 179.478 177.584 -0.606 0.000 1.175 218 A CA 2.579 54.418 52.037 -0.330 0.000 0.628 218 A CB -0.751 18.123 19.000 -0.210 0.000 0.814 218 A HN -0.462 7.550 8.150 -0.096 0.080 0.444 219 M N -0.878 118.481 119.600 -0.402 0.000 2.229 219 M HA -0.334 nan 4.480 nan 0.000 0.264 219 M C 1.562 177.714 176.300 -0.247 0.000 1.063 219 M CA 1.527 56.623 55.300 -0.341 0.000 1.114 219 M CB -0.527 31.895 32.600 -0.297 0.000 1.387 219 M HN 0.025 8.124 8.290 -0.298 0.013 0.420 220 A N -1.845 120.842 122.820 -0.222 0.000 1.972 220 A HA -0.237 nan 4.320 nan 0.000 0.219 220 A C 1.787 179.315 177.584 -0.093 0.000 1.169 220 A CA 2.975 54.928 52.037 -0.141 0.000 0.635 220 A CB -0.866 18.056 19.000 -0.130 0.000 0.810 220 A HN -0.231 7.666 8.150 -0.248 0.104 0.446 221 M N -3.336 116.183 119.600 -0.135 0.000 2.216 221 M HA -0.272 nan 4.480 nan 0.000 0.264 221 M C 2.134 178.489 176.300 0.092 0.000 1.080 221 M CA 3.643 58.915 55.300 -0.048 0.000 1.153 221 M CB 0.085 32.639 32.600 -0.077 0.000 1.356 221 M HN -0.711 7.309 8.290 -0.232 0.132 0.432 222 H N -0.095 119.022 119.070 0.077 0.000 2.352 222 H HA -0.227 nan 4.556 nan 0.000 0.299 222 H C 2.905 178.386 175.328 0.255 0.000 1.097 222 H CA 2.379 58.549 56.048 0.203 0.000 1.311 222 H CB -0.628 29.349 29.762 0.359 0.000 1.377 222 H HN -0.298 7.820 8.280 -0.270 0.000 0.504 223 L N -2.773 118.605 121.223 0.258 0.000 2.265 223 L HA -0.257 nan 4.340 nan 0.000 0.215 223 L C 1.402 178.352 176.870 0.133 0.000 1.117 223 L CA 2.802 57.757 54.840 0.191 0.000 0.782 223 L CB -0.239 41.851 42.059 0.052 0.000 0.914 223 L HN -0.124 8.183 8.230 0.128 0.000 0.441 224 V N -2.322 117.654 119.914 0.104 0.000 2.436 224 V HA -0.111 nan 4.120 nan 0.000 0.240 224 V C 1.196 177.335 176.094 0.075 0.000 1.040 224 V CA 1.976 64.317 62.300 0.068 0.000 1.052 224 V CB -0.007 31.841 31.823 0.042 0.000 0.707 224 V HN -0.644 7.472 8.190 0.106 0.138 0.469 225 R N -1.996 118.563 120.500 0.099 0.000 2.073 225 R HA -0.190 nan 4.340 nan 0.000 0.234 225 R C 1.000 177.333 176.300 0.055 0.000 1.134 225 R CA 2.181 58.331 56.100 0.082 0.000 0.952 225 R CB 0.951 31.320 30.300 0.114 0.000 0.850 225 R HN 0.172 8.515 8.270 0.122 0.000 0.433 226 S N -4.848 110.897 115.700 0.074 0.000 2.606 226 S HA 0.498 nan 4.470 nan 0.000 0.156 226 S C -1.270 173.322 174.600 -0.012 0.000 1.308 226 S CA -2.531 55.663 58.200 -0.009 0.000 1.228 226 S CB 0.760 63.902 63.200 -0.097 0.000 1.568 226 S HN -0.055 8.230 8.310 0.150 0.115 0.397 227 P HA -0.156 nan 4.420 nan 0.000 0.223 227 P C 0.441 177.769 177.300 0.047 0.000 1.144 227 P CA 1.969 65.167 63.100 0.164 0.000 0.783 227 P CB -0.148 31.626 31.700 0.123 0.000 0.771 228 A N -2.080 120.709 122.820 -0.052 0.000 2.209 228 A HA -0.050 nan 4.320 nan 0.000 0.212 228 A C 0.634 178.119 177.584 -0.165 0.000 1.158 228 A CA 1.459 53.449 52.037 -0.079 0.000 0.742 228 A CB -0.771 18.190 19.000 -0.065 0.000 0.790 228 A HN 0.336 8.405 8.150 -0.049 0.051 0.472 229 R N -3.906 116.373 120.500 -0.369 0.000 2.334 229 R HA 0.085 nan 4.340 nan 0.000 0.216 229 R C 0.007 175.978 176.300 -0.548 0.000 0.905 229 R CA 0.162 55.962 56.100 -0.501 0.000 1.064 229 R CB 0.016 29.916 30.300 -0.667 0.000 1.046 229 R HN -0.612 7.328 8.270 -0.447 0.062 0.508 230 F N -0.024 119.946 119.950 0.032 0.000 2.469 230 F HA 0.170 nan 4.527 nan 0.000 0.332 230 F C -1.196 174.629 175.800 0.040 0.000 1.103 230 F CA -0.847 57.187 58.000 0.058 0.000 0.979 230 F CB 1.635 40.652 39.000 0.028 0.000 1.137 230 F HN -0.789 7.365 8.300 -0.138 0.063 0.463 231 D N 1.713 122.267 120.400 0.256 0.000 2.685 231 D HA 0.089 nan 4.640 nan 0.000 0.254 231 D C -0.906 175.434 176.300 0.067 0.000 1.414 231 D CA -0.094 53.985 54.000 0.131 0.000 1.145 231 D CB 1.374 42.251 40.800 0.128 0.000 0.941 231 D HN 0.002 8.573 8.370 0.336 0.000 0.250 232 V N 0.089 119.997 119.914 -0.010 0.000 2.383 232 V HA 0.372 nan 4.120 nan 0.000 0.275 232 V C -0.969 175.039 176.094 -0.143 0.000 1.036 232 V CA -0.373 61.880 62.300 -0.078 0.000 0.889 232 V CB 0.224 31.971 31.823 -0.126 0.000 0.985 232 V HN -0.642 7.530 8.190 -0.029 0.000 0.459 233 V N 8.013 127.851 119.914 -0.127 0.000 2.357 233 V HA 0.547 nan 4.120 nan 0.000 0.284 233 V C -1.737 174.279 176.094 -0.130 0.000 1.018 233 V CA -1.075 61.124 62.300 -0.168 0.000 0.841 233 V CB 0.833 32.536 31.823 -0.199 0.000 0.991 233 V HN 0.811 8.946 8.190 -0.092 0.000 0.437 234 V N 9.247 129.089 119.914 -0.120 0.000 2.547 234 V HA 0.891 nan 4.120 nan 0.000 0.299 234 V C -2.534 173.590 176.094 0.050 0.000 1.040 234 V CA -2.235 60.047 62.300 -0.029 0.000 0.913 234 V CB 2.994 34.787 31.823 -0.050 0.000 0.992 234 V HN 0.485 8.479 8.190 -0.150 0.107 0.449 235 T N 7.812 122.418 114.554 0.086 0.000 2.718 235 T HA 0.510 nan 4.350 nan 0.000 0.306 235 T C -1.285 173.298 174.700 -0.195 0.000 1.485 235 T CA -0.646 61.389 62.100 -0.108 0.000 0.997 235 T CB 3.323 72.097 68.868 -0.156 0.000 1.504 235 T HN 0.191 8.494 8.240 0.104 0.000 0.497 236 G N -0.193 108.186 108.800 -0.701 0.000 2.611 236 G HA2 0.170 nan 3.960 nan 0.000 0.273 236 G HA3 0.170 nan 3.960 nan 0.000 0.273 236 G C -0.483 174.341 174.900 -0.127 0.000 1.305 236 G CA -0.044 44.788 45.100 -0.447 0.000 1.010 236 G HN 0.237 8.009 8.290 -0.864 0.000 0.509 237 N N 1.558 120.225 118.700 -0.056 0.000 2.009 237 N HA -0.308 nan 4.740 nan 0.000 0.195 237 N C 2.174 177.449 175.510 -0.393 0.000 1.076 237 N CA 2.967 55.894 53.050 -0.206 0.000 0.863 237 N CB -0.293 37.980 38.487 -0.356 0.000 1.062 237 N HN -0.251 8.213 8.380 0.140 0.000 0.425 238 I N -0.481 119.657 120.570 -0.719 0.000 2.118 238 I HA -0.405 nan 4.170 nan 0.000 0.241 238 I C 1.667 177.671 176.117 -0.189 0.000 1.070 238 I CA 2.888 63.825 61.300 -0.604 0.000 1.327 238 I CB -0.223 37.370 38.000 -0.678 0.000 1.034 238 I HN 0.180 7.891 8.210 -0.831 0.000 0.405 239 F N -2.301 117.508 119.950 -0.235 0.000 2.134 239 F HA -0.270 nan 4.527 nan 0.000 0.299 239 F C 2.031 177.733 175.800 -0.163 0.000 1.097 239 F CA 2.066 59.950 58.000 -0.193 0.000 1.264 239 F CB -1.540 37.317 39.000 -0.239 0.000 1.001 239 F HN -0.215 7.793 8.300 -0.488 0.000 0.479 240 G N -1.395 107.419 108.800 0.023 0.000 2.422 240 G HA2 -0.446 nan 3.960 nan 0.000 0.218 240 G HA3 -0.446 nan 3.960 nan 0.000 0.218 240 G C 0.981 175.881 174.900 -0.000 0.000 1.146 240 G CA 2.003 47.097 45.100 -0.010 0.000 0.769 240 G HN 0.208 8.373 8.290 -0.034 0.105 0.547 241 D N 2.486 122.888 120.400 0.002 0.000 2.092 241 D HA -0.275 nan 4.640 nan 0.000 0.193 241 D C 2.211 178.532 176.300 0.036 0.000 0.994 241 D CA 3.621 57.644 54.000 0.038 0.000 0.828 241 D CB 0.137 40.985 40.800 0.080 0.000 0.963 241 D HN 0.039 8.176 8.370 -0.036 0.212 0.450 242 I N -0.435 120.160 120.570 0.041 0.000 2.113 242 I HA -0.543 nan 4.170 nan 0.000 0.238 242 I C 1.984 178.100 176.117 -0.002 0.000 1.070 242 I CA 4.084 65.400 61.300 0.028 0.000 1.332 242 I CB 0.064 38.090 38.000 0.042 0.000 1.044 242 I HN -0.450 7.793 8.210 0.054 0.000 0.402 243 L N -1.679 119.531 121.223 -0.021 0.000 2.042 243 L HA -0.532 nan 4.340 nan 0.000 0.210 243 L C 2.316 179.165 176.870 -0.036 0.000 1.076 243 L CA 3.541 58.351 54.840 -0.050 0.000 0.749 243 L CB -0.910 41.098 42.059 -0.085 0.000 0.893 243 L HN -0.097 8.128 8.230 -0.010 0.000 0.432 244 S N 0.091 115.777 115.700 -0.022 0.000 2.356 244 S HA -0.374 nan 4.470 nan 0.000 0.223 244 S C 1.936 176.531 174.600 -0.008 0.000 1.032 244 S CA 4.397 62.587 58.200 -0.017 0.000 1.005 244 S CB -0.514 62.680 63.200 -0.010 0.000 0.867 244 S HN -0.011 8.290 8.310 -0.016 0.000 0.449 245 D N 1.925 122.324 120.400 -0.001 0.000 2.123 245 D HA -0.295 nan 4.640 nan 0.000 0.196 245 D C 2.166 178.466 176.300 -0.001 0.000 0.992 245 D CA 3.283 57.285 54.000 0.004 0.000 0.833 245 D CB -0.185 40.621 40.800 0.010 0.000 0.954 245 D HN -0.723 7.649 8.370 0.003 0.000 0.455 246 L N -1.068 120.151 121.223 -0.007 0.000 1.976 246 L HA -0.316 nan 4.340 nan 0.000 0.209 246 L C 2.072 178.939 176.870 -0.005 0.000 1.071 246 L CA 2.746 57.581 54.840 -0.009 0.000 0.746 246 L CB -0.163 41.884 42.059 -0.021 0.000 0.890 246 L HN -0.186 7.946 8.230 -0.011 0.091 0.432 247 A N -1.918 120.896 122.820 -0.010 0.000 2.024 247 A HA -0.324 nan 4.320 nan 0.000 0.220 247 A C 2.228 179.810 177.584 -0.004 0.000 1.164 247 A CA 2.823 54.857 52.037 -0.005 0.000 0.643 247 A CB -0.852 18.141 19.000 -0.012 0.000 0.806 247 A HN 0.322 8.461 8.150 -0.018 0.000 0.451 248 S N -1.969 113.729 115.700 -0.003 0.000 2.402 248 S HA -0.201 nan 4.470 nan 0.000 0.229 248 S C 1.886 176.489 174.600 0.005 0.000 1.021 248 S CA 3.350 61.551 58.200 0.001 0.000 0.974 248 S CB 0.201 63.405 63.200 0.006 0.000 0.800 248 S HN -0.366 7.804 8.310 -0.003 0.138 0.484 249 V N -2.414 117.503 119.914 0.005 0.000 2.667 249 V HA -0.119 nan 4.120 nan 0.000 0.252 249 V C 1.722 177.819 176.094 0.006 0.000 1.065 249 V CA 2.643 64.948 62.300 0.008 0.000 1.083 249 V CB -0.611 31.217 31.823 0.008 0.000 0.692 249 V HN -0.565 7.628 8.190 0.004 0.000 0.468 250 L N -0.141 121.085 121.223 0.004 0.000 1.997 250 L HA -0.164 nan 4.340 nan 0.000 0.216 250 L C -0.076 176.792 176.870 -0.003 0.000 1.074 250 L CA 3.750 58.591 54.840 0.003 0.000 0.763 250 L CB -3.427 38.634 42.059 0.004 0.000 0.890 250 L HN -0.698 7.503 8.230 0.004 0.032 0.434 251 P HA -0.131 nan 4.420 nan 0.000 0.216 251 P C -0.031 177.275 177.300 0.010 0.000 1.150 251 P CA 2.183 65.274 63.100 -0.015 0.000 0.837 251 P CB 0.046 31.730 31.700 -0.025 0.000 0.786 252 G N -3.329 105.479 108.800 0.014 0.000 2.253 252 G HA2 -0.185 nan 3.960 nan 0.000 0.209 252 G HA3 -0.185 nan 3.960 nan 0.000 0.209 252 G C -1.648 173.265 174.900 0.021 0.000 0.997 252 G CA -0.192 44.919 45.100 0.019 0.000 0.640 252 G HN -0.337 7.959 8.290 0.010 0.000 0.496 253 S N -1.089 114.627 115.700 0.027 0.000 2.649 253 S HA 0.170 nan 4.470 nan 0.000 0.274 253 S C 0.260 174.882 174.600 0.037 0.000 1.176 253 S CA -1.542 56.674 58.200 0.027 0.000 0.988 253 S CB 2.695 65.909 63.200 0.023 0.000 1.071 253 S HN -0.656 7.618 8.310 0.029 0.053 0.478 254 L N 5.675 126.921 121.223 0.038 0.000 2.129 254 L HA -0.270 nan 4.340 nan 0.000 0.212 254 L C 1.172 178.095 176.870 0.087 0.000 1.087 254 L CA 2.275 57.150 54.840 0.058 0.000 0.757 254 L CB -0.004 42.092 42.059 0.061 0.000 0.896 254 L HN 0.683 8.931 8.230 0.030 0.000 0.434 255 G N -3.134 105.702 108.800 0.060 0.000 2.535 255 G HA2 -0.289 nan 3.960 nan 0.000 0.218 255 G HA3 -0.289 nan 3.960 nan 0.000 0.218 255 G C -0.108 174.849 174.900 0.095 0.000 1.122 255 G CA 1.471 46.604 45.100 0.055 0.000 0.769 255 G HN 0.318 8.597 8.290 0.032 0.031 0.549 256 L N -1.119 120.165 121.223 0.102 0.000 2.791 256 L HA 0.182 nan 4.340 nan 0.000 0.239 256 L C -1.234 175.720 176.870 0.139 0.000 1.203 256 L CA -0.711 54.218 54.840 0.148 0.000 1.002 256 L CB -0.406 41.763 42.059 0.183 0.000 1.295 256 L HN -0.660 7.562 8.230 0.083 0.058 0.504 257 L N 0.350 121.643 121.223 0.117 0.000 2.298 257 L HA 0.548 nan 4.340 nan 0.000 0.284 257 L C -2.559 174.360 176.870 0.081 0.000 1.013 257 L CA -2.842 52.048 54.840 0.083 0.000 0.824 257 L CB 1.803 43.894 42.059 0.053 0.000 1.221 257 L HN -0.843 7.393 8.230 0.131 0.073 0.418 258 P HA 0.775 nan 4.420 nan 0.000 0.285 258 P C -1.758 175.571 177.300 0.047 0.000 1.280 258 P CA -1.537 61.611 63.100 0.081 0.000 0.862 258 P CB 1.383 33.158 31.700 0.125 0.000 1.153 259 S N -1.925 113.791 115.700 0.026 0.000 2.579 259 S HA 0.537 nan 4.470 nan 0.000 0.272 259 S C -2.252 172.292 174.600 -0.093 0.000 1.141 259 S CA -1.353 56.828 58.200 -0.032 0.000 0.843 259 S CB 3.510 66.674 63.200 -0.059 0.000 1.122 259 S HN 0.273 8.606 8.310 0.039 0.000 0.468 260 A N -1.015 121.677 122.820 -0.213 0.000 2.539 260 A HA 0.735 nan 4.320 nan 0.000 0.296 260 A C -2.316 174.991 177.584 -0.461 0.000 1.073 260 A CA -0.552 51.189 52.037 -0.493 0.000 0.700 260 A CB 3.368 22.003 19.000 -0.609 0.000 1.296 260 A HN 0.451 8.493 8.150 -0.181 0.000 0.405 261 S N 0.604 115.960 115.700 -0.573 0.000 2.664 261 S HA 0.611 nan 4.470 nan 0.000 0.262 261 S C -0.995 173.318 174.600 -0.479 0.000 1.229 261 S CA -0.957 56.990 58.200 -0.422 0.000 1.151 261 S CB 0.736 63.748 63.200 -0.313 0.000 1.054 261 S HN 0.333 8.170 8.310 -0.789 0.000 0.483 262 L N 2.822 123.763 121.223 -0.469 0.000 2.482 262 L HA 0.291 nan 4.340 nan 0.000 0.242 262 L C -0.128 176.365 176.870 -0.628 0.000 1.210 262 L CA -0.788 53.781 54.840 -0.452 0.000 0.819 262 L CB 0.449 42.294 42.059 -0.355 0.000 1.203 262 L HN -0.239 7.734 8.230 -0.429 0.000 0.495 263 G N -2.809 105.618 108.800 -0.622 0.000 2.336 263 G HA2 -0.026 nan 3.960 nan 0.000 0.286 263 G HA3 -0.026 nan 3.960 nan 0.000 0.286 263 G C -0.859 173.894 174.900 -0.244 0.000 1.269 263 G CA 0.646 45.235 45.100 -0.853 0.000 0.873 263 G HN -0.475 7.575 8.290 -0.399 0.000 0.494 264 R N 0.746 121.255 120.500 0.016 0.000 2.161 264 R HA 0.198 nan 4.340 nan 0.000 0.213 264 R C 1.048 177.365 176.300 0.028 0.000 1.055 264 R CA 0.097 56.262 56.100 0.108 0.000 0.996 264 R CB 0.650 31.056 30.300 0.176 0.000 0.901 264 R HN -0.149 8.149 8.270 0.047 0.000 0.456 265 G N -2.951 105.841 108.800 -0.013 0.000 2.630 265 G HA2 0.337 nan 3.960 nan 0.000 0.223 265 G HA3 0.337 nan 3.960 nan 0.000 0.223 265 G C -1.473 173.400 174.900 -0.044 0.000 1.434 265 G CA -0.902 44.186 45.100 -0.019 0.000 1.057 265 G HN -0.362 7.906 8.290 -0.036 0.000 0.570 266 T N 2.816 117.346 114.554 -0.040 0.000 2.799 266 T HA 0.179 nan 4.350 nan 0.000 0.296 266 T C -1.102 173.551 174.700 -0.079 0.000 0.947 266 T CA -0.789 61.288 62.100 -0.038 0.000 1.141 266 T CB -0.400 68.455 68.868 -0.022 0.000 0.891 266 T HN -0.568 7.927 8.240 -0.029 -0.272 0.533 267 P HA 0.160 nan 4.420 nan 0.000 0.272 267 P C -2.033 175.169 177.300 -0.164 0.000 1.223 267 P CA -0.332 62.670 63.100 -0.164 0.000 0.784 267 P CB 0.743 32.430 31.700 -0.021 0.000 0.923 268 V N 0.123 119.783 119.914 -0.422 0.000 2.487 268 V HA 0.578 nan 4.120 nan 0.000 0.298 268 V C -1.228 174.543 176.094 -0.538 0.000 1.028 268 V CA -0.576 61.541 62.300 -0.306 0.000 0.860 268 V CB 2.225 33.890 31.823 -0.264 0.000 0.991 268 V HN -0.237 7.620 8.190 -0.554 0.000 0.427 269 F N 6.691 126.584 119.950 -0.094 0.000 2.449 269 F HA 0.728 nan 4.527 nan 0.000 0.342 269 F C -1.876 173.885 175.800 -0.065 0.000 1.127 269 F CA -1.598 56.363 58.000 -0.064 0.000 0.975 269 F CB 2.485 41.467 39.000 -0.029 0.000 1.146 269 F HN 0.355 8.796 8.300 0.236 0.000 0.444 270 E N 0.402 120.627 120.200 0.042 0.000 2.412 270 E HA 0.619 nan 4.350 nan 0.000 0.279 270 E C -2.873 173.704 176.600 -0.037 0.000 0.984 270 E CA -3.164 53.230 56.400 -0.010 0.000 0.788 270 E CB 2.512 32.171 29.700 -0.068 0.000 1.277 270 E HN 0.776 9.139 8.360 0.004 0.000 0.455 271 P HA 0.196 nan 4.420 nan 0.000 0.279 271 P C -0.221 176.945 177.300 -0.223 0.000 1.239 271 P CA -0.361 62.645 63.100 -0.158 0.000 0.789 271 P CB 0.779 32.289 31.700 -0.318 0.000 0.933 272 V N -0.057 119.794 119.914 -0.106 0.000 2.667 272 V HA -0.207 nan 4.120 nan 0.000 0.252 272 V C 0.472 176.534 176.094 -0.052 0.000 1.065 272 V CA 1.799 64.062 62.300 -0.063 0.000 1.083 272 V CB -0.348 31.473 31.823 -0.003 0.000 0.692 272 V HN 0.376 8.545 8.190 -0.035 0.000 0.468 273 H N -0.082 119.004 119.070 0.028 0.000 2.948 273 H HA -0.057 nan 4.556 nan 0.000 0.351 273 H C 0.182 175.530 175.328 0.032 0.000 1.079 273 H CA -0.470 55.594 56.048 0.027 0.000 1.407 273 H CB -0.122 29.655 29.762 0.026 0.000 1.373 273 H HN -0.313 7.925 8.280 -0.025 0.027 0.605 274 G N -0.138 108.803 108.800 0.234 0.000 2.653 274 G HA2 0.014 nan 3.960 nan 0.000 0.265 274 G HA3 0.014 nan 3.960 nan 0.000 0.265 274 G C 0.069 175.128 174.900 0.264 0.000 1.237 274 G CA -1.022 44.182 45.100 0.174 0.000 0.946 274 G HN -0.058 8.360 8.290 0.213 0.000 0.522 275 S N -0.821 114.983 115.700 0.174 0.000 2.474 275 S HA -0.242 nan 4.470 nan 0.000 0.235 275 S C 0.749 175.439 174.600 0.150 0.000 0.997 275 S CA 1.099 59.405 58.200 0.176 0.000 0.949 275 S CB 0.075 63.371 63.200 0.160 0.000 0.766 275 S HN 0.413 8.804 8.310 0.135 0.000 0.517 276 A N 0.879 123.772 122.820 0.120 0.000 2.261 276 A HA -0.237 nan 4.320 nan 0.000 0.282 276 A C -1.260 176.365 177.584 0.069 0.000 1.403 276 A CA -0.131 51.950 52.037 0.073 0.000 0.753 276 A CB -1.736 17.284 19.000 0.033 0.000 1.125 276 A HN 0.263 8.439 8.150 0.127 0.050 0.358 277 P HA -0.212 nan 4.420 nan 0.000 0.218 277 P C 0.291 177.618 177.300 0.045 0.000 1.148 277 P CA 1.882 65.027 63.100 0.076 0.000 0.822 277 P CB -0.594 31.153 31.700 0.078 0.000 0.784 278 D N -3.083 117.337 120.400 0.033 0.000 2.390 278 D HA -0.141 nan 4.640 nan 0.000 0.235 278 D C 0.358 176.666 176.300 0.015 0.000 1.040 278 D CA 1.657 55.668 54.000 0.019 0.000 0.923 278 D CB -1.252 39.557 40.800 0.014 0.000 0.886 278 D HN 0.621 8.986 8.370 0.037 0.026 0.532 279 I N -10.307 110.274 120.570 0.019 0.000 4.665 279 I HA 0.286 nan 4.170 nan 0.000 0.360 279 I C -1.162 174.967 176.117 0.020 0.000 1.259 279 I CA -1.269 60.037 61.300 0.011 0.000 1.301 279 I CB 1.038 39.035 38.000 -0.004 0.000 1.746 279 I HN -0.666 7.451 8.210 0.028 0.110 0.598 280 A N 1.187 124.028 122.820 0.036 0.000 2.489 280 A HA -0.129 nan 4.320 nan 0.000 0.289 280 A C -0.108 177.503 177.584 0.044 0.000 1.216 280 A CA 1.236 53.303 52.037 0.050 0.000 0.883 280 A CB -1.200 17.845 19.000 0.075 0.000 1.110 280 A HN -0.220 7.820 8.150 0.039 0.133 0.523 281 G N 3.916 112.740 108.800 0.039 0.000 3.131 281 G HA2 -0.286 nan 3.960 nan 0.000 0.198 281 G HA3 -0.286 nan 3.960 nan 0.000 0.198 281 G C -0.517 174.399 174.900 0.027 0.000 1.435 281 G CA -0.028 45.094 45.100 0.036 0.000 1.016 281 G HN -0.035 8.559 8.290 0.037 -0.282 0.499 282 K N 4.882 125.294 120.400 0.021 0.000 2.243 282 K HA -0.010 nan 4.320 nan 0.000 0.232 282 K C 0.856 177.464 176.600 0.013 0.000 1.237 282 K CA -1.168 55.129 56.287 0.016 0.000 1.161 282 K CB -1.345 31.162 32.500 0.012 0.000 1.505 282 K HN -0.229 8.034 8.250 0.021 0.000 0.271 283 G N 4.951 113.761 108.800 0.018 0.000 2.651 283 G HA2 -0.468 nan 3.960 nan 0.000 0.387 283 G HA3 -0.468 nan 3.960 nan 0.000 0.387 283 G C 0.315 175.217 174.900 0.003 0.000 1.291 283 G CA 1.259 46.368 45.100 0.016 0.000 0.958 283 G HN 0.275 8.524 8.290 0.022 0.054 0.549 284 I N -4.847 115.722 120.570 -0.002 0.000 3.386 284 I HA -0.430 nan 4.170 nan 0.000 0.219 284 I C -1.438 174.650 176.117 -0.049 0.000 0.481 284 I CA 1.036 62.323 61.300 -0.021 0.000 1.328 284 I CB -1.313 36.675 38.000 -0.020 0.000 1.067 284 I HN 0.129 8.343 8.210 0.007 0.000 0.330 285 A N -0.315 122.479 122.820 -0.044 0.000 2.451 285 A HA -0.086 nan 4.320 nan 0.000 0.266 285 A C 0.040 177.560 177.584 -0.107 0.000 1.119 285 A CA -0.561 51.429 52.037 -0.078 0.000 0.786 285 A CB 0.247 19.216 19.000 -0.051 0.000 1.061 285 A HN -0.305 7.717 8.150 -0.021 0.116 0.503 286 N N 5.273 123.871 118.700 -0.171 0.000 2.416 286 N HA 0.017 nan 4.740 nan 0.000 0.271 286 N C -0.539 174.872 175.510 -0.166 0.000 1.245 286 N CA -2.797 50.109 53.050 -0.241 0.000 0.940 286 N CB 0.504 38.843 38.487 -0.246 0.000 1.175 286 N HN 0.329 8.603 8.380 -0.176 0.000 0.483 287 P HA 0.080 nan 4.420 nan 0.000 0.249 287 P C 0.476 177.841 177.300 0.109 0.000 1.241 287 P CA 0.377 63.511 63.100 0.056 0.000 0.781 287 P CB 0.294 32.080 31.700 0.143 0.000 1.088 288 T N 2.889 117.458 114.554 0.025 0.000 2.635 288 T HA -0.393 nan 4.350 nan 0.000 0.267 288 T C 1.543 176.339 174.700 0.159 0.000 1.040 288 T CA 5.653 67.824 62.100 0.117 0.000 1.156 288 T CB -0.828 68.060 68.868 0.033 0.000 0.863 288 T HN 0.408 8.806 8.240 -0.140 -0.242 0.430 289 A N 0.050 122.967 122.820 0.162 0.000 1.978 289 A HA -0.326 nan 4.320 nan 0.000 0.220 289 A C 1.341 179.025 177.584 0.167 0.000 1.170 289 A CA 3.150 55.303 52.037 0.193 0.000 0.636 289 A CB -0.831 18.338 19.000 0.281 0.000 0.810 289 A HN -0.219 8.009 8.150 0.132 0.000 0.448 290 A N -1.166 121.758 122.820 0.174 0.000 1.855 290 A HA -0.242 nan 4.320 nan 0.000 0.215 290 A C 2.249 179.900 177.584 0.111 0.000 1.191 290 A CA 2.814 54.932 52.037 0.135 0.000 0.613 290 A CB -0.751 18.332 19.000 0.138 0.000 0.829 290 A HN -0.695 7.546 8.150 0.189 0.022 0.442 291 I N -1.315 119.328 120.570 0.122 0.000 2.208 291 I HA -0.557 nan 4.170 nan 0.000 0.245 291 I C 2.061 178.240 176.117 0.103 0.000 1.097 291 I CA 4.142 65.503 61.300 0.102 0.000 1.363 291 I CB -0.329 37.745 38.000 0.125 0.000 1.051 291 I HN -0.090 8.206 8.210 0.143 0.000 0.413 292 L N -0.926 120.379 121.223 0.137 0.000 2.083 292 L HA -0.379 nan 4.340 nan 0.000 0.209 292 L C 2.285 179.237 176.870 0.137 0.000 1.083 292 L CA 3.382 58.313 54.840 0.152 0.000 0.752 292 L CB -1.311 40.865 42.059 0.197 0.000 0.899 292 L HN 0.349 8.671 8.230 0.153 0.000 0.433 293 S N 0.061 115.840 115.700 0.132 0.000 2.368 293 S HA -0.353 nan 4.470 nan 0.000 0.225 293 S C 2.097 176.757 174.600 0.100 0.000 1.030 293 S CA 3.878 62.168 58.200 0.151 0.000 0.999 293 S CB -0.753 62.524 63.200 0.130 0.000 0.844 293 S HN -0.207 8.069 8.310 0.128 0.110 0.459 294 A N 0.527 123.375 122.820 0.048 0.000 1.902 294 A HA -0.218 nan 4.320 nan 0.000 0.217 294 A C 1.695 179.257 177.584 -0.037 0.000 1.181 294 A CA 2.880 54.906 52.037 -0.018 0.000 0.623 294 A CB -0.907 18.087 19.000 -0.011 0.000 0.818 294 A HN -0.021 8.086 8.150 0.065 0.082 0.443 295 A N -1.633 121.197 122.820 0.015 0.000 1.933 295 A HA -0.299 nan 4.320 nan 0.000 0.218 295 A C 1.810 179.398 177.584 0.007 0.000 1.175 295 A CA 2.942 54.990 52.037 0.018 0.000 0.628 295 A CB -0.756 18.279 19.000 0.057 0.000 0.814 295 A HN 0.254 8.362 8.150 0.045 0.070 0.444 296 M N -0.837 118.801 119.600 0.063 0.000 2.229 296 M HA -0.350 nan 4.480 nan 0.000 0.264 296 M C 1.753 178.019 176.300 -0.056 0.000 1.063 296 M CA 3.473 58.884 55.300 0.185 0.000 1.114 296 M CB 0.138 32.966 32.600 0.380 0.000 1.387 296 M HN 0.154 8.288 8.290 0.087 0.209 0.420 297 M N 0.424 119.694 119.600 -0.551 0.000 2.132 297 M HA -0.367 nan 4.480 nan 0.000 0.263 297 M C 1.895 177.890 176.300 -0.510 0.000 1.065 297 M CA 3.956 58.473 55.300 -1.304 0.000 1.122 297 M CB -0.119 31.955 32.600 -0.876 0.000 1.365 297 M HN -0.365 7.618 8.290 -0.301 0.127 0.411 298 L N -1.514 119.617 121.223 -0.154 0.000 1.994 298 L HA -0.492 nan 4.340 nan 0.000 0.208 298 L C 2.094 178.948 176.870 -0.027 0.000 1.071 298 L CA 3.361 58.226 54.840 0.042 0.000 0.745 298 L CB -0.578 41.495 42.059 0.024 0.000 0.892 298 L HN -0.271 7.867 8.230 -0.153 0.000 0.431 299 E N -0.985 119.145 120.200 -0.117 0.000 2.031 299 E HA -0.453 nan 4.350 nan 0.000 0.193 299 E C 2.260 178.706 176.600 -0.257 0.000 0.994 299 E CA 3.442 59.715 56.400 -0.211 0.000 0.800 299 E CB 0.084 29.573 29.700 -0.352 0.000 0.752 299 E HN -0.449 7.844 8.360 -0.111 0.000 0.447 300 H N -1.722 117.355 119.070 0.011 0.000 2.384 300 H HA -0.147 nan 4.556 nan 0.000 0.300 300 H C 1.923 177.233 175.328 -0.030 0.000 1.057 300 H CA 2.535 58.620 56.048 0.062 0.000 1.370 300 H CB 0.235 30.147 29.762 0.250 0.000 1.417 300 H HN -0.433 7.755 8.280 -0.153 0.000 0.527 301 A N -1.089 121.647 122.820 -0.140 0.000 1.898 301 A HA -0.100 nan 4.320 nan 0.000 0.214 301 A C 1.096 178.231 177.584 -0.748 0.000 1.183 301 A CA 1.895 53.615 52.037 -0.528 0.000 0.622 301 A CB 0.360 18.764 19.000 -0.993 0.000 0.824 301 A HN -0.231 7.647 8.150 -0.274 0.108 0.444 302 F N -4.231 115.702 119.950 -0.027 0.000 2.682 302 F HA 0.111 nan 4.527 nan 0.000 0.308 302 F C 0.726 176.515 175.800 -0.019 0.000 1.093 302 F CA -1.077 56.910 58.000 -0.022 0.000 1.244 302 F CB 1.099 40.073 39.000 -0.044 0.000 1.052 302 F HN -0.665 7.436 8.300 -0.333 0.000 0.573 303 G N -0.436 108.399 108.800 0.060 0.000 2.186 303 G HA2 -0.421 nan 3.960 nan 0.000 0.266 303 G HA3 -0.421 nan 3.960 nan 0.000 0.266 303 G C 0.091 175.009 174.900 0.031 0.000 0.982 303 G CA 0.942 46.062 45.100 0.033 0.000 0.670 303 G HN -0.500 7.718 8.290 -0.008 0.067 0.533 304 L N 1.720 122.974 121.223 0.051 0.000 2.544 304 L HA 0.019 nan 4.340 nan 0.000 0.240 304 L C 0.704 177.573 176.870 -0.002 0.000 1.421 304 L CA -1.200 53.658 54.840 0.029 0.000 1.206 304 L CB -2.839 39.242 42.059 0.036 0.000 1.463 304 L HN -0.295 7.925 8.230 0.092 0.065 0.437 305 V N 2.499 122.404 119.914 -0.015 0.000 2.324 305 V HA -0.561 nan 4.120 nan 0.000 0.250 305 V C 1.843 177.930 176.094 -0.010 0.000 1.060 305 V CA 4.400 66.682 62.300 -0.029 0.000 1.042 305 V CB -0.962 30.848 31.823 -0.022 0.000 0.650 305 V HN 0.516 8.640 8.190 -0.006 0.063 0.450 306 E N -0.591 119.609 120.200 0.000 0.000 2.031 306 E HA -0.346 nan 4.350 nan 0.000 0.193 306 E C 2.418 179.021 176.600 0.005 0.000 0.994 306 E CA 2.628 59.032 56.400 0.005 0.000 0.800 306 E CB -1.056 28.648 29.700 0.007 0.000 0.752 306 E HN 0.215 8.560 8.360 0.002 0.016 0.447 307 L N -0.824 120.401 121.223 0.002 0.000 2.191 307 L HA -0.266 nan 4.340 nan 0.000 0.212 307 L C 2.008 178.880 176.870 0.002 0.000 1.103 307 L CA 1.808 56.649 54.840 0.001 0.000 0.769 307 L CB -0.704 41.354 42.059 -0.003 0.000 0.908 307 L HN -0.201 8.031 8.230 0.003 0.000 0.438 308 A N -0.137 122.683 122.820 -0.000 0.000 1.855 308 A HA -0.322 nan 4.320 nan 0.000 0.215 308 A C 1.915 179.511 177.584 0.019 0.000 1.191 308 A CA 3.293 55.331 52.037 0.002 0.000 0.613 308 A CB -0.864 18.123 19.000 -0.021 0.000 0.829 308 A HN 0.304 8.326 8.150 -0.004 0.125 0.442 309 R N -2.237 118.275 120.500 0.018 0.000 2.103 309 R HA -0.375 nan 4.340 nan 0.000 0.242 309 R C 2.409 178.727 176.300 0.029 0.000 1.142 309 R CA 2.489 58.608 56.100 0.031 0.000 0.960 309 R CB -0.749 29.566 30.300 0.025 0.000 0.858 309 R HN -0.048 8.227 8.270 0.009 0.000 0.439 310 K N 0.012 120.423 120.400 0.017 0.000 2.032 310 K HA -0.276 nan 4.320 nan 0.000 0.209 310 K C 2.316 178.922 176.600 0.009 0.000 1.048 310 K CA 3.595 59.889 56.287 0.012 0.000 0.927 310 K CB -0.135 32.369 32.500 0.007 0.000 0.712 310 K HN -0.400 7.767 8.250 0.014 0.091 0.441 311 V N -0.773 119.148 119.914 0.013 0.000 2.295 311 V HA -0.446 nan 4.120 nan 0.000 0.246 311 V C 1.990 178.094 176.094 0.016 0.000 1.049 311 V CA 4.297 66.603 62.300 0.011 0.000 1.024 311 V CB -0.756 31.077 31.823 0.018 0.000 0.648 311 V HN -0.479 7.720 8.190 0.014 0.000 0.447 312 E N -0.596 119.632 120.200 0.048 0.000 2.070 312 E HA -0.500 nan 4.350 nan 0.000 0.197 312 E C 2.412 179.021 176.600 0.015 0.000 1.004 312 E CA 3.600 60.053 56.400 0.089 0.000 0.805 312 E CB -0.360 29.433 29.700 0.155 0.000 0.744 312 E HN -0.105 8.286 8.360 0.051 0.000 0.451 313 D N -0.663 119.743 120.400 0.010 0.000 2.097 313 D HA -0.252 nan 4.640 nan 0.000 0.195 313 D C 2.159 178.394 176.300 -0.109 0.000 0.989 313 D CA 3.051 57.031 54.000 -0.034 0.000 0.827 313 D CB -0.685 40.110 40.800 -0.009 0.000 0.966 313 D HN -0.238 8.149 8.370 0.028 0.000 0.456 314 A N -0.237 122.538 122.820 -0.075 0.000 1.873 314 A HA -0.321 nan 4.320 nan 0.000 0.218 314 A C 2.394 179.874 177.584 -0.173 0.000 1.193 314 A CA 3.270 55.257 52.037 -0.084 0.000 0.629 314 A CB -0.556 18.434 19.000 -0.016 0.000 0.826 314 A HN -0.162 7.966 8.150 -0.036 0.000 0.447 315 V N -1.596 118.227 119.914 -0.152 0.000 2.407 315 V HA -0.480 nan 4.120 nan 0.000 0.248 315 V C 2.089 178.015 176.094 -0.281 0.000 1.055 315 V CA 3.823 66.026 62.300 -0.161 0.000 1.049 315 V CB -1.517 30.270 31.823 -0.061 0.000 0.662 315 V HN 0.148 8.278 8.190 -0.099 0.000 0.455 316 A N -0.533 122.021 122.820 -0.443 0.000 1.865 316 A HA -0.373 nan 4.320 nan 0.000 0.217 316 A C 1.967 179.353 177.584 -0.330 0.000 1.191 316 A CA 3.371 55.039 52.037 -0.615 0.000 0.623 316 A CB -0.799 17.947 19.000 -0.423 0.000 0.826 316 A HN -0.019 7.820 8.150 -0.342 0.106 0.444 317 K N -1.846 118.367 120.400 -0.310 0.000 2.148 317 K HA -0.266 nan 4.320 nan 0.000 0.204 317 K C 1.910 178.328 176.600 -0.303 0.000 1.050 317 K CA 2.242 58.320 56.287 -0.348 0.000 0.942 317 K CB -0.225 31.908 32.500 -0.612 0.000 0.724 317 K HN -0.222 7.839 8.250 -0.315 0.000 0.446 318 A N -0.678 121.966 122.820 -0.292 0.000 1.972 318 A HA -0.202 nan 4.320 nan 0.000 0.219 318 A C 2.394 180.061 177.584 0.139 0.000 1.169 318 A CA 2.876 54.785 52.037 -0.214 0.000 0.635 318 A CB -1.007 17.607 19.000 -0.644 0.000 0.810 318 A HN -0.184 7.670 8.150 -0.327 0.101 0.446 319 L N -2.266 119.062 121.223 0.175 0.000 2.027 319 L HA -0.316 nan 4.340 nan 0.000 0.206 319 L C 1.451 178.383 176.870 0.104 0.000 1.074 319 L CA 2.707 57.671 54.840 0.206 0.000 0.745 319 L CB -0.174 41.912 42.059 0.046 0.000 0.898 319 L HN -0.613 7.494 8.230 0.006 0.126 0.433 320 L N -3.547 117.695 121.223 0.031 0.000 1.988 320 L HA -0.223 nan 4.340 nan 0.000 0.207 320 L C 2.039 178.931 176.870 0.037 0.000 1.071 320 L CA 2.228 57.082 54.840 0.023 0.000 0.744 320 L CB -0.729 41.325 42.059 -0.008 0.000 0.893 320 L HN -0.769 7.451 8.230 -0.016 0.000 0.433 321 E N -2.197 118.019 120.200 0.027 0.000 2.038 321 E HA -0.219 nan 4.350 nan 0.000 0.195 321 E C 0.468 177.114 176.600 0.077 0.000 1.000 321 E CA 2.071 58.500 56.400 0.048 0.000 0.803 321 E CB 0.620 30.357 29.700 0.062 0.000 0.750 321 E HN -0.309 8.045 8.360 -0.009 0.000 0.448 322 T N -3.810 110.818 114.554 0.123 0.000 3.327 322 T HA 0.387 nan 4.350 nan 0.000 0.373 322 T C -2.441 172.413 174.700 0.257 0.000 1.589 322 T CA -3.031 59.173 62.100 0.174 0.000 1.497 322 T CB 0.196 69.171 68.868 0.178 0.000 1.032 322 T HN -0.321 7.890 8.240 0.132 0.108 0.640 323 P HA 0.327 nan 4.420 nan 0.000 0.271 323 P C -2.053 175.253 177.300 0.009 0.000 1.216 323 P CA -2.078 61.062 63.100 0.067 0.000 0.771 323 P CB -0.396 31.327 31.700 0.039 0.000 0.864 324 P HA 0.267 nan 4.420 nan 0.000 0.274 324 P C -0.525 176.729 177.300 -0.077 0.000 1.246 324 P CA -2.068 60.949 63.100 -0.138 0.000 0.795 324 P CB -0.579 30.940 31.700 -0.302 0.000 1.006 325 P HA -0.315 nan 4.420 nan 0.000 0.217 325 P C 0.412 177.688 177.300 -0.040 0.000 1.162 325 P CA 3.168 66.247 63.100 -0.036 0.000 0.901 325 P CB -0.034 31.647 31.700 -0.032 0.000 0.793 326 D N -5.081 115.285 120.400 -0.057 0.000 2.407 326 D HA -0.234 nan 4.640 nan 0.000 0.234 326 D C 0.341 176.616 176.300 -0.041 0.000 1.029 326 D CA 1.216 55.187 54.000 -0.049 0.000 0.937 326 D CB -1.261 39.502 40.800 -0.062 0.000 0.882 326 D HN 0.324 8.649 8.370 -0.074 0.000 0.531 327 L N -1.394 119.804 121.223 -0.041 0.000 3.289 327 L HA 0.240 nan 4.340 nan 0.000 0.291 327 L C -0.653 176.211 176.870 -0.010 0.000 1.279 327 L CA -0.854 53.971 54.840 -0.024 0.000 1.025 327 L CB 0.383 42.420 42.059 -0.036 0.000 1.413 327 L HN -0.150 7.837 8.230 -0.047 0.215 0.593 328 G N -1.894 106.900 108.800 -0.010 0.000 2.184 328 G HA2 -0.447 nan 3.960 nan 0.000 0.264 328 G HA3 -0.447 nan 3.960 nan 0.000 0.264 328 G C -0.088 174.812 174.900 0.001 0.000 0.975 328 G CA 0.648 45.747 45.100 -0.002 0.000 0.642 328 G HN 0.009 8.212 8.290 -0.016 0.077 0.536 329 G N 0.132 108.930 108.800 -0.003 0.000 2.504 329 G HA2 0.154 nan 3.960 nan 0.000 0.257 329 G HA3 0.154 nan 3.960 nan 0.000 0.257 329 G C -0.997 173.907 174.900 0.006 0.000 1.451 329 G CA -0.248 44.856 45.100 0.007 0.000 1.059 329 G HN -0.426 7.770 8.290 -0.013 0.086 0.550 330 S N -1.586 114.124 115.700 0.017 0.000 2.648 330 S HA 0.055 nan 4.470 nan 0.000 0.270 330 S C 0.278 174.894 174.600 0.027 0.000 1.082 330 S CA 0.026 58.237 58.200 0.017 0.000 1.116 330 S CB 2.675 65.888 63.200 0.021 0.000 1.040 330 S HN -0.297 8.030 8.310 0.028 0.000 0.572 331 A N 3.641 126.489 122.820 0.048 0.000 2.566 331 A HA -0.079 nan 4.320 nan 0.000 0.245 331 A C 0.126 177.747 177.584 0.060 0.000 1.056 331 A CA 1.030 53.115 52.037 0.080 0.000 0.757 331 A CB 0.373 19.470 19.000 0.160 0.000 0.979 331 A HN -0.804 7.377 8.150 0.051 0.000 0.508 332 G N 2.590 111.429 108.800 0.065 0.000 2.535 332 G HA2 -0.023 nan 3.960 nan 0.000 0.282 332 G HA3 -0.023 nan 3.960 nan 0.000 0.282 332 G C 0.387 175.336 174.900 0.081 0.000 1.350 332 G CA -1.092 44.037 45.100 0.049 0.000 1.039 332 G HN -0.240 8.090 8.290 0.068 0.000 0.509 333 T N 0.542 115.134 114.554 0.063 0.000 2.668 333 T HA -0.293 nan 4.350 nan 0.000 0.262 333 T C 2.346 177.125 174.700 0.133 0.000 1.045 333 T CA 4.991 67.146 62.100 0.091 0.000 1.152 333 T CB -0.350 68.552 68.868 0.058 0.000 0.864 333 T HN 0.188 8.453 8.240 0.041 0.000 0.419 334 E N 1.688 121.941 120.200 0.089 0.000 2.051 334 E HA -0.153 nan 4.350 nan 0.000 0.192 334 E C 2.285 178.931 176.600 0.076 0.000 0.991 334 E CA 2.554 58.998 56.400 0.073 0.000 0.799 334 E CB -0.626 29.104 29.700 0.049 0.000 0.748 334 E HN 0.270 8.672 8.360 0.070 0.000 0.449 335 A N -0.756 122.114 122.820 0.084 0.000 1.859 335 A HA -0.226 nan 4.320 nan 0.000 0.218 335 A C 2.190 179.836 177.584 0.104 0.000 1.209 335 A CA 2.905 54.990 52.037 0.080 0.000 0.639 335 A CB -1.146 17.906 19.000 0.086 0.000 0.835 335 A HN -0.024 8.174 8.150 0.079 0.000 0.450 336 F N -1.707 118.248 119.950 0.009 0.000 2.065 336 F HA -0.495 nan 4.527 nan 0.000 0.298 336 F C 1.846 177.654 175.800 0.013 0.000 1.112 336 F CA 3.692 61.698 58.000 0.011 0.000 1.212 336 F CB 0.075 39.078 39.000 0.006 0.000 0.975 336 F HN -0.080 8.391 8.300 0.284 0.000 0.476 337 T N 1.558 116.172 114.554 0.099 0.000 2.685 337 T HA -0.566 nan 4.350 nan 0.000 0.268 337 T C 1.842 176.485 174.700 -0.095 0.000 1.034 337 T CA 5.092 67.191 62.100 -0.003 0.000 1.149 337 T CB -0.827 68.084 68.868 0.071 0.000 0.860 337 T HN 0.164 8.553 8.240 0.248 0.000 0.449 338 A N -0.324 122.458 122.820 -0.063 0.000 1.902 338 A HA -0.279 nan 4.320 nan 0.000 0.217 338 A C 1.699 179.205 177.584 -0.129 0.000 1.181 338 A CA 3.356 55.348 52.037 -0.075 0.000 0.623 338 A CB -0.968 18.006 19.000 -0.044 0.000 0.818 338 A HN 0.182 8.229 8.150 -0.018 0.092 0.443 339 T N -1.081 113.374 114.554 -0.165 0.000 2.788 339 T HA -0.220 nan 4.350 nan 0.000 0.268 339 T C 1.963 176.573 174.700 -0.150 0.000 1.044 339 T CA 3.617 65.613 62.100 -0.174 0.000 1.139 339 T CB -0.487 68.304 68.868 -0.129 0.000 0.867 339 T HN -0.628 7.435 8.240 -0.154 0.084 0.454 340 V N 3.034 122.775 119.914 -0.289 0.000 2.261 340 V HA -0.389 nan 4.120 nan 0.000 0.246 340 V C 1.906 177.938 176.094 -0.103 0.000 1.047 340 V CA 4.229 66.397 62.300 -0.221 0.000 1.015 340 V CB -0.931 30.706 31.823 -0.309 0.000 0.642 340 V HN -0.202 7.731 8.190 -0.429 0.000 0.446 341 L N -3.294 117.860 121.223 -0.116 0.000 2.261 341 L HA -0.419 nan 4.340 nan 0.000 0.216 341 L C 2.318 179.125 176.870 -0.106 0.000 1.114 341 L CA 2.612 57.401 54.840 -0.085 0.000 0.777 341 L CB -0.732 41.286 42.059 -0.070 0.000 0.910 341 L HN 0.131 8.278 8.230 -0.138 0.000 0.440 342 R N -1.415 118.980 120.500 -0.174 0.000 2.057 342 R HA -0.278 nan 4.340 nan 0.000 0.229 342 R C 2.569 178.705 176.300 -0.273 0.000 1.136 342 R CA 2.914 58.857 56.100 -0.262 0.000 0.952 342 R CB -0.090 29.962 30.300 -0.412 0.000 0.848 342 R HN -0.246 7.757 8.270 -0.181 0.158 0.430 343 H N -1.531 117.484 119.070 -0.091 0.000 2.563 343 H HA -0.162 nan 4.556 nan 0.000 0.272 343 H C 1.090 176.378 175.328 -0.065 0.000 1.005 343 H CA 2.049 58.050 56.048 -0.079 0.000 1.171 343 H CB -0.336 29.367 29.762 -0.097 0.000 1.351 343 H HN -0.302 7.819 8.280 -0.265 0.000 0.602 344 L N -2.318 118.912 121.223 0.010 0.000 2.341 344 L HA -0.028 nan 4.340 nan 0.000 0.214 344 L C -0.717 176.148 176.870 -0.009 0.000 1.115 344 L CA 0.253 55.092 54.840 -0.001 0.000 0.820 344 L CB -0.251 41.797 42.059 -0.018 0.000 0.944 344 L HN -0.581 7.435 8.230 -0.031 0.196 0.452 345 A N 0.000 122.805 122.820 -0.026 0.000 2.254 345 A HA 0.000 nan 4.320 nan 0.000 0.244 345 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 345 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 345 A HN 0.000 8.094 8.150 -0.043 0.030 0.486