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 1esz_1_A DATA FIRST_RESID 33 DATA SEQUENCE IDPNRIVALE WLPVELLLAL GIVPYGVADT INYRLWVSEP PLPDSVIDVG DATA SEQUENCE LRTEPNLELL TEMKPSFMVW SAGYGPSPEM LARIAPGRGF NFSDGKQPLA DATA SEQUENCE MARKSLTEMA DLLNLQSAAE THLAQYEDFI RSMKPRFVKR GARPLLLTTL DATA SEQUENCE IDPRHMLVFG PNSLFQEILD EYGIPNAWQG ETNFWGSTAV SIDRLAAYKD DATA SEQUENCE VDVLCFDHDN SKDMDALMAT PLWQAMPFVR AGRFQRVPAV WFYGATLSAM DATA SEQUENCE HFVRVLDNAI 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 33 I HA 0.000 nan 4.170 nan 0.000 0.288 33 I C 0.000 176.085 176.117 -0.053 0.000 1.063 33 I CA 0.000 61.250 61.300 -0.083 0.000 1.566 33 I CB 0.000 37.981 38.000 -0.032 0.000 1.214 34 D N 4.431 124.817 120.400 -0.024 0.000 2.352 34 D HA 0.189 4.828 4.640 -0.001 0.000 0.245 34 D C -1.654 174.627 176.300 -0.033 0.000 1.224 34 D CA -2.013 51.967 54.000 -0.034 0.000 0.879 34 D CB 1.404 42.179 40.800 -0.042 0.000 1.057 34 D HN 0.206 nan 8.370 nan 0.000 0.491 35 P HA -0.106 nan 4.420 nan 0.000 0.226 35 P C 0.135 177.420 177.300 -0.025 0.000 1.146 35 P CA 0.772 63.853 63.100 -0.031 0.000 0.773 35 P CB 0.362 32.041 31.700 -0.037 0.000 0.772 36 N N -0.728 117.940 118.700 -0.053 0.000 2.230 36 N HA 0.126 4.866 4.740 -0.001 0.000 0.202 36 N C 0.774 176.187 175.510 -0.162 0.000 1.119 36 N CA -0.081 52.924 53.050 -0.074 0.000 0.851 36 N CB 0.194 38.629 38.487 -0.087 0.000 0.990 36 N HN 0.003 nan 8.380 nan 0.000 0.497 37 R N 0.582 120.996 120.500 -0.143 0.000 2.727 37 R HA 0.274 4.613 4.340 -0.001 0.000 0.410 37 R C -0.858 175.535 176.300 0.155 0.000 1.101 37 R CA -0.282 55.666 56.100 -0.255 0.000 1.045 37 R CB 0.531 30.640 30.300 -0.319 0.000 1.380 37 R HN 0.041 nan 8.270 nan 0.000 0.587 38 I N 1.483 122.179 120.570 0.210 0.000 2.331 38 I HA 0.252 4.422 4.170 -0.001 0.000 0.292 38 I C 0.276 176.550 176.117 0.262 0.000 0.998 38 I CA -0.891 60.562 61.300 0.255 0.000 1.267 38 I CB 1.586 39.701 38.000 0.191 0.000 1.386 38 I HN -0.194 nan 8.210 nan 0.000 0.476 39 V N 5.743 125.797 119.914 0.232 0.000 2.398 39 V HA 0.596 4.716 4.120 -0.001 0.000 0.286 39 V C 0.438 176.615 176.094 0.138 0.000 1.026 39 V CA -0.728 61.655 62.300 0.138 0.000 0.868 39 V CB 1.593 33.465 31.823 0.082 0.000 0.982 39 V HN 0.867 nan 8.190 nan 0.000 0.443 40 A N 5.458 128.338 122.820 0.100 0.000 2.253 40 A HA 0.655 4.975 4.320 -0.001 0.000 0.316 40 A C 0.494 178.149 177.584 0.119 0.000 1.327 40 A CA -0.403 51.704 52.037 0.117 0.000 0.917 40 A CB 0.376 19.419 19.000 0.071 0.000 1.162 40 A HN 0.900 nan 8.150 nan 0.000 0.535 41 L N 0.777 122.102 121.223 0.169 0.000 2.591 41 L HA 0.206 4.546 4.340 -0.001 0.000 0.228 41 L C 0.726 177.654 176.870 0.096 0.000 1.133 41 L CA 0.566 55.482 54.840 0.127 0.000 0.880 41 L CB -0.007 42.136 42.059 0.140 0.000 1.033 41 L HN 0.646 nan 8.230 nan 0.000 0.450 42 E N -1.363 118.906 120.200 0.114 0.000 2.390 42 E HA 0.077 4.427 4.350 -0.001 0.000 0.277 42 E C -0.588 176.087 176.600 0.124 0.000 0.939 42 E CA -0.558 55.838 56.400 -0.008 0.000 0.769 42 E CB 1.290 31.024 29.700 0.056 0.000 1.251 42 E HN -0.064 nan 8.360 nan 0.000 0.450 43 W N 2.020 123.335 121.300 0.025 0.000 2.465 43 W HA -0.085 4.574 4.660 -0.002 0.000 0.268 43 W C 1.712 178.320 176.519 0.148 0.000 1.242 43 W CA 0.088 57.470 57.345 0.063 0.000 1.248 43 W CB -0.908 28.488 29.460 -0.107 0.000 1.118 43 W HN 0.476 nan 8.180 nan 0.000 0.587 44 L N 2.589 124.030 121.223 0.364 0.000 1.976 44 L HA -0.091 4.249 4.340 -0.001 0.000 0.209 44 L C -0.338 176.612 176.870 0.135 0.000 1.071 44 L CA 2.316 57.335 54.840 0.298 0.000 0.746 44 L CB -2.008 40.221 42.059 0.284 0.000 0.890 44 L HN -0.288 nan 8.230 nan 0.000 0.432 45 P HA -0.077 nan 4.420 nan 0.000 0.230 45 P C 1.936 179.195 177.300 -0.069 0.000 1.158 45 P CA 0.932 63.944 63.100 -0.146 0.000 0.769 45 P CB 0.027 31.626 31.700 -0.168 0.000 0.807 46 V N 1.080 121.020 119.914 0.043 0.000 2.358 46 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 46 V C 2.764 178.860 176.094 0.003 0.000 1.047 46 V CA 2.031 64.333 62.300 0.003 0.000 1.035 46 V CB -1.146 30.665 31.823 -0.020 0.000 0.658 46 V HN 0.192 nan 8.190 nan 0.000 0.452 47 E N 0.017 120.265 120.200 0.081 0.000 2.106 47 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 47 E C 2.210 178.784 176.600 -0.044 0.000 0.984 47 E CA 1.150 57.590 56.400 0.066 0.000 0.806 47 E CB -0.093 29.692 29.700 0.141 0.000 0.750 47 E HN 0.585 nan 8.360 nan 0.000 0.458 48 L N 0.542 121.707 121.223 -0.096 0.000 2.046 48 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 48 L C 2.608 179.375 176.870 -0.173 0.000 1.077 48 L CA 0.863 55.593 54.840 -0.182 0.000 0.747 48 L CB -0.434 41.443 42.059 -0.304 0.000 0.896 48 L HN 0.239 nan 8.230 nan 0.000 0.432 49 L N -0.819 120.321 121.223 -0.139 0.000 2.017 49 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 49 L C 2.529 179.347 176.870 -0.086 0.000 1.073 49 L CA 0.917 55.696 54.840 -0.101 0.000 0.745 49 L CB -0.456 41.563 42.059 -0.066 0.000 0.894 49 L HN 0.217 nan 8.230 nan 0.000 0.432 50 L N -0.011 121.167 121.223 -0.075 0.000 2.083 50 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 50 L C 2.760 179.581 176.870 -0.082 0.000 1.083 50 L CA 1.911 56.715 54.840 -0.060 0.000 0.752 50 L CB -1.307 40.734 42.059 -0.031 0.000 0.899 50 L HN 0.174 nan 8.230 nan 0.000 0.433 51 A N -0.888 121.841 122.820 -0.152 0.000 1.972 51 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 51 A C 2.047 179.504 177.584 -0.211 0.000 1.169 51 A CA 1.274 53.135 52.037 -0.293 0.000 0.635 51 A CB -0.643 17.976 19.000 -0.634 0.000 0.810 51 A HN 0.410 nan 8.150 nan 0.000 0.446 52 L N -1.128 120.007 121.223 -0.147 0.000 2.629 52 L HA 0.257 4.597 4.340 -0.001 0.000 0.230 52 L C 1.509 178.351 176.870 -0.047 0.000 1.151 52 L CA 0.385 55.175 54.840 -0.083 0.000 0.924 52 L CB -0.247 41.764 42.059 -0.080 0.000 1.137 52 L HN 0.543 nan 8.230 nan 0.000 0.457 53 G N 0.511 109.285 108.800 -0.043 0.000 2.148 53 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.254 53 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.254 53 G C 0.257 175.141 174.900 -0.026 0.000 0.981 53 G CA -0.285 44.800 45.100 -0.025 0.000 0.670 53 G HN 0.193 nan 8.290 nan 0.000 0.528 54 I N 1.482 122.031 120.570 -0.034 0.000 2.395 54 I HA 0.354 4.524 4.170 -0.001 0.000 0.289 54 I C 1.109 177.214 176.117 -0.021 0.000 1.023 54 I CA -0.818 60.466 61.300 -0.026 0.000 1.350 54 I CB 1.383 39.366 38.000 -0.027 0.000 1.409 54 I HN 0.224 nan 8.210 nan 0.000 0.507 55 V N 5.717 125.625 119.914 -0.010 0.000 2.334 55 V HA 0.408 4.528 4.120 -0.001 0.000 0.267 55 V C -2.408 173.697 176.094 0.018 0.000 1.040 55 V CA -2.109 60.188 62.300 -0.005 0.000 0.866 55 V CB 0.385 32.208 31.823 0.000 0.000 1.019 55 V HN 0.529 nan 8.190 nan 0.000 0.468 56 P HA 0.023 nan 4.420 nan 0.000 0.264 56 P C 0.081 177.446 177.300 0.108 0.000 1.193 56 P CA 0.149 63.276 63.100 0.045 0.000 0.763 56 P CB 0.319 32.009 31.700 -0.017 0.000 0.810 57 Y N 4.223 124.523 120.300 -0.001 0.000 2.200 57 Y HA 0.096 4.645 4.550 -0.000 0.000 0.290 57 Y C 0.911 176.811 175.900 0.000 0.000 1.137 57 Y CA 1.702 59.805 58.100 0.005 0.000 1.163 57 Y CB -0.370 38.104 38.460 0.023 0.000 0.988 57 Y HN 0.385 nan 8.280 nan 0.000 0.518 58 G N -0.604 108.176 108.800 -0.035 0.000 2.706 58 G HA2 0.561 4.520 3.960 -0.001 0.000 0.297 58 G HA3 0.561 4.520 3.960 -0.001 0.000 0.297 58 G C -2.244 172.621 174.900 -0.058 0.000 1.403 58 G CA -0.440 44.574 45.100 -0.144 0.000 0.954 58 G HN -0.008 nan 8.290 nan 0.000 0.500 59 V N 0.485 120.363 119.914 -0.060 0.000 2.760 59 V HA 0.724 4.844 4.120 -0.001 0.000 0.309 59 V C 0.393 176.497 176.094 0.018 0.000 1.077 59 V CA -0.789 61.493 62.300 -0.029 0.000 0.910 59 V CB 1.738 33.494 31.823 -0.111 0.000 1.008 59 V HN 1.315 nan 8.190 nan 0.000 0.424 60 A N 2.802 125.664 122.820 0.071 0.000 2.409 60 A HA 0.546 4.865 4.320 -0.001 0.000 0.262 60 A C 0.501 178.215 177.584 0.217 0.000 1.113 60 A CA 0.306 52.393 52.037 0.083 0.000 0.790 60 A CB -0.150 18.869 19.000 0.031 0.000 1.046 60 A HN 1.210 nan 8.150 nan 0.000 0.496 61 D N 2.030 122.533 120.400 0.172 0.000 2.812 61 D HA -0.153 4.487 4.640 -0.001 0.000 0.237 61 D C 1.289 177.780 176.300 0.318 0.000 1.162 61 D CA 1.395 55.552 54.000 0.261 0.000 0.740 61 D CB -1.102 39.891 40.800 0.321 0.000 1.000 61 D HN 0.890 nan 8.370 nan 0.000 0.416 62 T N -1.809 112.832 114.554 0.144 0.000 2.788 62 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 62 T C 2.220 176.962 174.700 0.071 0.000 1.044 62 T CA 1.222 63.357 62.100 0.059 0.000 1.139 62 T CB -0.098 68.767 68.868 -0.004 0.000 0.867 62 T HN 0.298 nan 8.240 nan 0.000 0.454 63 I N 3.108 123.730 120.570 0.088 0.000 2.091 63 I HA -0.187 3.982 4.170 -0.001 0.000 0.239 63 I C 2.510 178.677 176.117 0.084 0.000 1.061 63 I CA 1.454 62.800 61.300 0.077 0.000 1.317 63 I CB -0.814 37.241 38.000 0.092 0.000 1.031 63 I HN 0.253 nan 8.210 nan 0.000 0.401 64 N N -0.789 118.014 118.700 0.172 0.000 2.396 64 N HA -0.187 4.553 4.740 -0.001 0.000 0.180 64 N C 1.928 177.320 175.510 -0.197 0.000 1.028 64 N CA 0.845 54.039 53.050 0.240 0.000 0.893 64 N CB -0.312 38.469 38.487 0.491 0.000 0.967 64 N HN 0.479 nan 8.380 nan 0.000 0.440 65 Y N 2.278 122.204 120.300 -0.624 0.000 2.242 65 Y HA -0.064 4.485 4.550 -0.001 0.000 0.291 65 Y C 2.199 177.689 175.900 -0.683 0.000 1.137 65 Y CA 1.386 58.688 58.100 -1.330 0.000 1.181 65 Y CB 0.061 37.867 38.460 -1.091 0.000 0.989 65 Y HN -0.094 nan 8.280 nan 0.000 0.527 66 R N -0.118 120.243 120.500 -0.232 0.000 2.115 66 R HA -0.083 4.257 4.340 -0.001 0.000 0.230 66 R C 1.819 177.987 176.300 -0.220 0.000 1.111 66 R CA 1.652 57.653 56.100 -0.166 0.000 0.976 66 R CB -0.343 29.930 30.300 -0.043 0.000 0.870 66 R HN 0.486 nan 8.270 nan 0.000 0.445 67 L N -4.395 116.705 121.223 -0.204 0.000 2.590 67 L HA 0.312 4.651 4.340 -0.001 0.000 0.227 67 L C 1.208 177.882 176.870 -0.327 0.000 1.099 67 L CA 0.499 55.209 54.840 -0.216 0.000 0.872 67 L CB -0.113 41.846 42.059 -0.168 0.000 1.088 67 L HN -0.043 nan 8.230 nan 0.000 0.479 68 W N -0.981 120.077 121.300 -0.402 0.000 2.735 68 W HA 0.331 4.990 4.660 -0.002 0.000 0.264 68 W C 2.014 178.234 176.519 -0.499 0.000 1.233 68 W CA 0.633 57.745 57.345 -0.388 0.000 1.408 68 W CB 0.424 29.588 29.460 -0.493 0.000 1.038 68 W HN -0.141 nan 8.180 nan 0.000 0.603 69 V N -1.125 118.396 119.914 -0.656 0.000 2.690 69 V HA -0.074 4.046 4.120 -0.001 0.000 0.240 69 V C 1.954 177.773 176.094 -0.460 0.000 1.078 69 V CA 1.313 63.202 62.300 -0.685 0.000 1.102 69 V CB -0.308 30.620 31.823 -1.490 0.000 0.800 69 V HN 0.212 nan 8.190 nan 0.000 0.479 70 S N 0.089 115.457 115.700 -0.554 0.000 3.379 70 S HA -0.525 3.945 4.470 -0.001 0.000 0.389 70 S C 1.786 176.248 174.600 -0.230 0.000 1.477 70 S CA 2.745 60.767 58.200 -0.296 0.000 3.394 70 S CB -1.373 61.737 63.200 -0.150 0.000 1.624 70 S HN 0.671 nan 8.310 nan 0.000 0.489 71 E N 3.133 123.178 120.200 -0.258 0.000 2.063 71 E HA -0.073 4.277 4.350 -0.001 0.000 0.221 71 E C -1.647 174.847 176.600 -0.176 0.000 1.052 71 E CA 2.007 58.196 56.400 -0.350 0.000 0.891 71 E CB -1.101 28.162 29.700 -0.729 0.000 0.792 71 E HN 0.625 nan 8.360 nan 0.000 0.482 72 P HA 0.061 nan 4.420 nan 0.000 0.264 72 P C -2.523 174.824 177.300 0.079 0.000 1.236 72 P CA -0.519 62.590 63.100 0.015 0.000 0.811 72 P CB 0.557 32.319 31.700 0.103 0.000 0.840 73 P HA 0.096 nan 4.420 nan 0.000 0.276 73 P C -0.732 176.583 177.300 0.024 0.000 1.235 73 P CA 0.254 63.371 63.100 0.028 0.000 0.772 73 P CB 1.034 32.728 31.700 -0.011 0.000 0.871 74 L N 6.048 127.281 121.223 0.017 0.000 2.287 74 L HA 0.371 4.711 4.340 -0.001 0.000 0.287 74 L C -1.599 175.247 176.870 -0.040 0.000 1.022 74 L CA -2.248 52.557 54.840 -0.058 0.000 0.814 74 L CB 1.562 43.528 42.059 -0.155 0.000 1.217 74 L HN 0.277 nan 8.230 nan 0.000 0.420 75 P HA 0.018 nan 4.420 nan 0.000 0.267 75 P C -0.293 176.994 177.300 -0.023 0.000 1.200 75 P CA -0.291 62.795 63.100 -0.023 0.000 0.772 75 P CB 1.098 32.787 31.700 -0.017 0.000 0.855 76 D N 0.641 121.032 120.400 -0.015 0.000 2.221 76 D HA -0.140 4.500 4.640 -0.001 0.000 0.204 76 D C 1.903 178.198 176.300 -0.009 0.000 0.982 76 D CA 1.662 55.655 54.000 -0.012 0.000 0.857 76 D CB -0.381 40.414 40.800 -0.007 0.000 0.934 76 D HN 0.475 nan 8.370 nan 0.000 0.475 77 S N -0.259 115.438 115.700 -0.004 0.000 2.442 77 S HA -0.078 4.391 4.470 -0.001 0.000 0.236 77 S C 1.140 175.744 174.600 0.007 0.000 1.007 77 S CA 0.008 58.212 58.200 0.007 0.000 0.965 77 S CB -0.435 62.775 63.200 0.016 0.000 0.773 77 S HN -0.014 nan 8.310 nan 0.000 0.504 78 V N 2.924 122.832 119.914 -0.010 0.000 2.540 78 V HA 0.117 4.236 4.120 -0.001 0.000 0.297 78 V C 0.469 176.539 176.094 -0.040 0.000 1.024 78 V CA 0.063 62.348 62.300 -0.024 0.000 1.105 78 V CB -0.224 31.564 31.823 -0.057 0.000 0.938 78 V HN 0.440 nan 8.190 nan 0.000 0.482 79 I N 4.606 125.137 120.570 -0.065 0.000 2.441 79 I HA 0.151 4.321 4.170 -0.001 0.000 0.287 79 I C 0.627 176.692 176.117 -0.086 0.000 1.049 79 I CA 0.110 61.355 61.300 -0.090 0.000 1.381 79 I CB 0.628 38.525 38.000 -0.171 0.000 1.409 79 I HN 0.637 nan 8.210 nan 0.000 0.523 80 D N 6.369 126.735 120.400 -0.057 0.000 2.277 80 D HA 0.116 4.755 4.640 -0.001 0.000 0.249 80 D C 0.450 176.724 176.300 -0.044 0.000 1.134 80 D CA -0.266 53.713 54.000 -0.035 0.000 0.863 80 D CB 1.797 42.592 40.800 -0.009 0.000 1.143 80 D HN 0.366 nan 8.370 nan 0.000 0.458 81 V N 1.448 121.339 119.914 -0.039 0.000 3.177 81 V HA 0.533 4.653 4.120 -0.001 0.000 0.342 81 V C 0.813 176.890 176.094 -0.029 0.000 1.379 81 V CA 0.430 62.702 62.300 -0.046 0.000 1.191 81 V CB -0.500 31.287 31.823 -0.060 0.000 1.167 81 V HN 0.811 nan 8.190 nan 0.000 0.471 82 G N 0.527 109.320 108.800 -0.011 0.000 2.631 82 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.504 82 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.504 82 G C -0.680 174.220 174.900 -0.000 0.000 1.306 82 G CA -0.500 44.595 45.100 -0.009 0.000 0.897 82 G HN 0.534 nan 8.290 nan 0.000 0.520 83 L N 0.355 121.569 121.223 -0.015 0.000 2.456 83 L HA 0.297 4.637 4.340 -0.001 0.000 0.272 83 L C 2.173 179.007 176.870 -0.061 0.000 1.189 83 L CA -0.373 54.449 54.840 -0.030 0.000 0.846 83 L CB 0.566 42.599 42.059 -0.042 0.000 1.111 83 L HN 0.734 nan 8.230 nan 0.000 0.475 84 R N 0.353 120.797 120.500 -0.094 0.000 2.127 84 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 84 R C 1.975 178.229 176.300 -0.076 0.000 1.134 84 R CA 1.785 57.834 56.100 -0.084 0.000 0.975 84 R CB -0.569 29.638 30.300 -0.155 0.000 0.865 84 R HN 0.871 nan 8.270 nan 0.000 0.447 85 T N -3.293 111.184 114.554 -0.128 0.000 3.081 85 T HA 0.124 4.474 4.350 -0.001 0.000 0.255 85 T C 0.785 175.388 174.700 -0.162 0.000 1.113 85 T CA 0.994 62.970 62.100 -0.208 0.000 1.082 85 T CB 0.357 69.085 68.868 -0.234 0.000 0.939 85 T HN 0.344 nan 8.240 nan 0.000 0.506 86 E N 1.512 121.642 120.200 -0.116 0.000 3.554 86 E HA 0.419 4.768 4.350 -0.001 0.000 0.286 86 E C -3.099 173.454 176.600 -0.078 0.000 1.173 86 E CA -1.643 54.697 56.400 -0.099 0.000 1.117 86 E CB -0.183 29.466 29.700 -0.085 0.000 1.323 86 E HN 0.480 nan 8.360 nan 0.000 0.394 87 P HA 0.039 nan 4.420 nan 0.000 0.267 87 P C -0.245 177.018 177.300 -0.062 0.000 1.200 87 P CA -0.328 62.733 63.100 -0.065 0.000 0.772 87 P CB 0.726 32.384 31.700 -0.070 0.000 0.855 88 N N 2.753 121.423 118.700 -0.051 0.000 2.410 88 N HA 0.001 4.741 4.740 -0.001 0.000 0.281 88 N C 1.311 176.791 175.510 -0.051 0.000 1.241 88 N CA 0.113 53.135 53.050 -0.047 0.000 0.998 88 N CB -0.437 38.026 38.487 -0.041 0.000 1.376 88 N HN 0.348 nan 8.380 nan 0.000 0.490 89 L N 1.230 122.420 121.223 -0.055 0.000 2.127 89 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 89 L C 2.104 178.948 176.870 -0.043 0.000 1.089 89 L CA 1.017 55.824 54.840 -0.055 0.000 0.757 89 L CB -0.248 41.774 42.059 -0.061 0.000 0.899 89 L HN 0.431 nan 8.230 nan 0.000 0.434 90 E N 1.058 121.236 120.200 -0.037 0.000 2.028 90 E HA -0.233 4.117 4.350 -0.001 0.000 0.191 90 E C 2.013 178.596 176.600 -0.027 0.000 0.988 90 E CA 1.262 57.645 56.400 -0.029 0.000 0.799 90 E CB -0.365 29.319 29.700 -0.026 0.000 0.755 90 E HN 0.245 nan 8.360 nan 0.000 0.447 91 L N 0.374 121.577 121.223 -0.034 0.000 2.042 91 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 91 L C 2.245 179.088 176.870 -0.044 0.000 1.076 91 L CA 1.710 56.526 54.840 -0.040 0.000 0.749 91 L CB -0.656 41.372 42.059 -0.051 0.000 0.893 91 L HN 0.282 nan 8.230 nan 0.000 0.432 92 L N -1.163 120.033 121.223 -0.046 0.000 2.012 92 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 92 L C 2.365 179.229 176.870 -0.011 0.000 1.073 92 L CA 1.957 56.775 54.840 -0.038 0.000 0.748 92 L CB -1.170 40.866 42.059 -0.038 0.000 0.891 92 L HN 0.317 nan 8.230 nan 0.000 0.431 93 T N -0.837 113.710 114.554 -0.012 0.000 2.708 93 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 93 T C 1.719 176.428 174.700 0.014 0.000 1.037 93 T CA 1.395 63.496 62.100 0.002 0.000 1.146 93 T CB -0.201 68.663 68.868 -0.007 0.000 0.865 93 T HN 0.408 nan 8.240 nan 0.000 0.435 94 E N 0.849 121.053 120.200 0.007 0.000 2.110 94 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 94 E C 2.174 178.798 176.600 0.040 0.000 0.988 94 E CA 1.036 57.446 56.400 0.017 0.000 0.804 94 E CB -0.274 29.429 29.700 0.005 0.000 0.745 94 E HN 0.498 nan 8.360 nan 0.000 0.458 95 M N 0.267 119.888 119.600 0.035 0.000 2.296 95 M HA -0.082 4.398 4.480 -0.001 0.000 0.265 95 M C 0.110 176.530 176.300 0.201 0.000 1.064 95 M CA 0.892 56.247 55.300 0.092 0.000 1.109 95 M CB -0.115 32.455 32.600 -0.050 0.000 1.396 95 M HN -0.135 nan 8.290 nan 0.000 0.430 96 K N -0.345 120.134 120.400 0.132 0.000 3.619 96 K HA -0.134 4.186 4.320 -0.001 0.000 0.275 96 K C -2.539 174.179 176.600 0.197 0.000 0.993 96 K CA -0.317 56.048 56.287 0.130 0.000 0.787 96 K CB -1.760 30.800 32.500 0.101 0.000 1.431 96 K HN 0.222 nan 8.250 nan 0.000 0.451 97 P HA -0.015 nan 4.420 nan 0.000 0.269 97 P C 0.630 178.046 177.300 0.193 0.000 1.209 97 P CA -0.143 63.122 63.100 0.274 0.000 0.776 97 P CB 1.366 33.191 31.700 0.209 0.000 0.876 98 S N 1.922 117.736 115.700 0.190 0.000 2.395 98 S HA 0.086 4.556 4.470 -0.001 0.000 0.225 98 S C 0.077 174.857 174.600 0.301 0.000 1.027 98 S CA 0.594 58.899 58.200 0.173 0.000 0.965 98 S CB -0.339 62.927 63.200 0.111 0.000 0.812 98 S HN 0.418 nan 8.310 nan 0.000 0.482 99 F N 0.203 120.218 119.950 0.107 0.000 2.665 99 F HA 0.584 5.111 4.527 -0.001 0.000 0.308 99 F C -1.364 174.532 175.800 0.161 0.000 1.112 99 F CA -0.946 57.125 58.000 0.119 0.000 0.972 99 F CB 1.577 40.629 39.000 0.087 0.000 1.295 99 F HN -0.050 nan 8.300 nan 0.000 0.440 100 M N 5.439 124.926 119.600 -0.189 0.000 2.464 100 M HA 0.717 5.197 4.480 -0.001 0.000 0.308 100 M C -1.348 174.980 176.300 0.047 0.000 1.127 100 M CA -1.200 54.143 55.300 0.073 0.000 0.913 100 M CB 2.215 34.926 32.600 0.186 0.000 1.689 100 M HN 0.401 nan 8.290 nan 0.000 0.445 101 V N -0.180 119.872 119.914 0.230 0.000 2.735 101 V HA 0.944 5.064 4.120 -0.001 0.000 0.310 101 V C -1.562 174.744 176.094 0.352 0.000 1.061 101 V CA -0.422 61.983 62.300 0.175 0.000 0.913 101 V CB 1.510 33.463 31.823 0.217 0.000 1.005 101 V HN 1.118 nan 8.190 nan 0.000 0.428 102 W N 1.268 122.705 121.300 0.228 0.000 2.940 102 W HA 0.852 5.512 4.660 -0.000 0.000 0.394 102 W C -1.025 175.638 176.519 0.241 0.000 1.155 102 W CA -0.931 56.518 57.345 0.172 0.000 1.165 102 W CB 0.806 30.327 29.460 0.103 0.000 1.492 102 W HN 0.499 nan 8.180 nan 0.000 0.593 103 S N 1.244 117.254 115.700 0.517 0.000 2.480 103 S HA 0.638 5.108 4.470 -0.001 0.000 0.286 103 S C 0.069 174.972 174.600 0.504 0.000 1.180 103 S CA -0.407 58.035 58.200 0.402 0.000 1.075 103 S CB 1.021 64.365 63.200 0.241 0.000 0.996 103 S HN 0.772 nan 8.310 nan 0.000 0.487 104 A N 2.157 125.201 122.820 0.372 0.000 2.546 104 A HA 0.471 4.791 4.320 -0.001 0.000 0.243 104 A C 1.500 179.264 177.584 0.300 0.000 1.063 104 A CA 0.365 52.588 52.037 0.309 0.000 0.757 104 A CB -0.960 18.149 19.000 0.181 0.000 0.991 104 A HN 1.816 nan 8.150 nan 0.000 0.503 105 G N 0.348 109.289 108.800 0.235 0.000 2.166 105 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.260 105 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.260 105 G C -0.081 174.955 174.900 0.227 0.000 0.986 105 G CA 1.153 46.357 45.100 0.173 0.000 0.683 105 G HN 1.587 nan 8.290 nan 0.000 0.527 106 Y N 0.075 120.438 120.300 0.107 0.000 2.425 106 Y HA 0.526 5.075 4.550 -0.001 0.000 0.344 106 Y C 0.877 176.754 175.900 -0.039 0.000 0.969 106 Y CA 0.686 58.794 58.100 0.013 0.000 1.052 106 Y CB 1.649 40.109 38.460 -0.000 0.000 1.215 106 Y HN 1.338 nan 8.280 nan 0.000 0.451 107 G N 4.627 113.156 108.800 -0.452 0.000 2.542 107 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.235 107 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.235 107 G C -2.596 172.154 174.900 -0.250 0.000 1.286 107 G CA -0.753 44.163 45.100 -0.307 0.000 0.904 107 G HN 0.661 nan 8.290 nan 0.000 0.577 108 P HA 0.419 nan 4.420 nan 0.000 0.268 108 P C 0.434 177.554 177.300 -0.299 0.000 1.208 108 P CA 0.474 63.416 63.100 -0.264 0.000 0.777 108 P CB 0.632 32.162 31.700 -0.282 0.000 0.875 109 S N 2.679 118.238 115.700 -0.235 0.000 2.549 109 S HA 0.112 4.581 4.470 -0.001 0.000 0.283 109 S C -1.326 173.106 174.600 -0.280 0.000 1.320 109 S CA -0.675 57.404 58.200 -0.200 0.000 1.058 109 S CB 0.178 63.296 63.200 -0.136 0.000 0.882 109 S HN 0.353 nan 8.310 nan 0.000 0.498 110 P HA -0.052 nan 4.420 nan 0.000 0.218 110 P C 1.454 178.676 177.300 -0.130 0.000 1.149 110 P CA 1.871 64.834 63.100 -0.228 0.000 0.817 110 P CB -0.270 31.494 31.700 0.107 0.000 0.785 111 E N 0.795 120.944 120.200 -0.085 0.000 2.077 111 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 111 E C 1.959 178.508 176.600 -0.085 0.000 0.989 111 E CA 1.552 57.918 56.400 -0.057 0.000 0.800 111 E CB -1.232 28.441 29.700 -0.044 0.000 0.746 111 E HN 0.110 nan 8.360 nan 0.000 0.452 112 M N 0.084 119.609 119.600 -0.125 0.000 2.156 112 M HA 0.056 4.536 4.480 -0.001 0.000 0.264 112 M C 2.422 178.627 176.300 -0.158 0.000 1.067 112 M CA 1.295 56.519 55.300 -0.128 0.000 1.131 112 M CB -0.576 31.942 32.600 -0.136 0.000 1.368 112 M HN 0.383 nan 8.290 nan 0.000 0.416 113 L N 0.558 121.625 121.223 -0.259 0.000 2.012 113 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 113 L C 2.592 179.358 176.870 -0.173 0.000 1.073 113 L CA 1.350 56.000 54.840 -0.316 0.000 0.748 113 L CB -1.069 40.562 42.059 -0.713 0.000 0.891 113 L HN 0.366 nan 8.230 nan 0.000 0.431 114 A N 0.270 123.022 122.820 -0.113 0.000 2.186 114 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 114 A C 2.578 180.153 177.584 -0.016 0.000 1.159 114 A CA 1.883 53.915 52.037 -0.008 0.000 0.680 114 A CB -0.775 18.245 19.000 0.033 0.000 0.787 114 A HN 0.465 nan 8.150 nan 0.000 0.467 115 R N -0.100 120.375 120.500 -0.042 0.000 2.200 115 R HA 0.280 4.620 4.340 -0.001 0.000 0.208 115 R C 1.826 178.112 176.300 -0.023 0.000 1.033 115 R CA 1.242 57.325 56.100 -0.029 0.000 1.000 115 R CB -1.005 29.271 30.300 -0.040 0.000 0.906 115 R HN 0.653 nan 8.270 nan 0.000 0.462 116 I N -0.661 119.889 120.570 -0.034 0.000 2.339 116 I HA 0.287 4.456 4.170 -0.001 0.000 0.245 116 I C 1.159 177.281 176.117 0.007 0.000 1.096 116 I CA 1.093 62.381 61.300 -0.019 0.000 1.408 116 I CB 0.133 38.111 38.000 -0.036 0.000 1.092 116 I HN 0.524 nan 8.210 nan 0.000 0.423 117 A N -0.445 122.381 122.820 0.010 0.000 2.586 117 A HA 0.587 4.906 4.320 -0.001 0.000 0.291 117 A C -2.739 174.856 177.584 0.018 0.000 1.062 117 A CA -0.923 51.134 52.037 0.034 0.000 0.666 117 A CB 0.135 19.169 19.000 0.057 0.000 1.281 117 A HN -0.185 nan 8.150 nan 0.000 0.421 118 P HA 0.470 nan 4.420 nan 0.000 0.268 118 P C 0.371 177.433 177.300 -0.398 0.000 1.208 118 P CA 0.798 63.894 63.100 -0.007 0.000 0.777 118 P CB 0.898 32.723 31.700 0.208 0.000 0.875 119 G N 0.430 108.890 108.800 -0.568 0.000 2.548 119 G HA2 0.652 4.611 3.960 -0.001 0.000 0.301 119 G HA3 0.652 4.611 3.960 -0.001 0.000 0.301 119 G C -1.857 172.581 174.900 -0.769 0.000 1.349 119 G CA -0.596 43.892 45.100 -1.020 0.000 0.792 119 G HN 0.530 nan 8.290 nan 0.000 0.481 120 R N -0.937 118.949 120.500 -1.023 0.000 2.536 120 R HA 0.615 4.954 4.340 -0.001 0.000 0.269 120 R C -0.216 175.190 176.300 -1.490 0.000 1.113 120 R CA 0.120 55.695 56.100 -0.874 0.000 0.948 120 R CB 1.445 31.560 30.300 -0.308 0.000 1.237 120 R HN 1.188 nan 8.270 nan 0.000 0.441 121 G N 2.983 110.950 108.800 -1.388 0.000 2.367 121 G HA2 0.560 4.519 3.960 -0.001 0.000 0.314 121 G HA3 0.560 4.519 3.960 -0.001 0.000 0.314 121 G C -1.224 173.294 174.900 -0.636 0.000 1.130 121 G CA -0.262 44.111 45.100 -1.212 0.000 0.864 121 G HN 0.314 nan 8.290 nan 0.000 0.486 122 F N 0.532 120.352 119.950 -0.218 0.000 2.492 122 F HA 0.381 4.907 4.527 -0.001 0.000 0.327 122 F C 0.567 176.414 175.800 0.079 0.000 1.079 122 F CA -1.051 56.922 58.000 -0.044 0.000 0.967 122 F CB 1.903 40.896 39.000 -0.011 0.000 1.169 122 F HN 0.248 nan 8.300 nan 0.000 0.472 123 N N 2.116 120.956 118.700 0.234 0.000 2.499 123 N HA 0.079 4.819 4.740 -0.001 0.000 0.281 123 N C 0.495 176.200 175.510 0.325 0.000 1.098 123 N CA -0.252 52.953 53.050 0.259 0.000 0.979 123 N CB 1.229 39.815 38.487 0.164 0.000 1.121 123 N HN 0.632 nan 8.380 nan 0.000 0.466 124 F N 1.250 121.361 119.950 0.268 0.000 2.335 124 F HA 0.146 4.672 4.527 -0.000 0.000 0.296 124 F C 0.911 176.764 175.800 0.089 0.000 1.091 124 F CA 0.403 58.530 58.000 0.213 0.000 1.399 124 F CB 0.361 39.557 39.000 0.327 0.000 1.067 124 F HN 0.421 nan 8.300 nan 0.000 0.520 125 S N -0.972 114.686 115.700 -0.070 0.000 2.703 125 S HA 0.249 4.719 4.470 -0.001 0.000 0.273 125 S C -0.863 173.707 174.600 -0.049 0.000 1.178 125 S CA -0.080 57.917 58.200 -0.338 0.000 0.838 125 S CB 0.666 63.421 63.200 -0.742 0.000 1.178 125 S HN 0.313 nan 8.310 nan 0.000 0.494 126 D N -0.253 120.062 120.400 -0.141 0.000 2.440 126 D HA 0.314 4.953 4.640 -0.001 0.000 0.216 126 D C 1.178 177.456 176.300 -0.036 0.000 1.150 126 D CA 0.789 54.788 54.000 -0.001 0.000 0.832 126 D CB 0.065 40.845 40.800 -0.033 0.000 0.992 126 D HN 1.284 nan 8.370 nan 0.000 0.502 127 G N 1.205 109.785 108.800 -0.367 0.000 2.213 127 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.236 127 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.236 127 G C 0.867 175.580 174.900 -0.312 0.000 0.991 127 G CA 0.544 45.368 45.100 -0.461 0.000 0.629 127 G HN 0.546 nan 8.290 nan 0.000 0.517 128 K N -0.576 119.680 120.400 -0.240 0.000 2.485 128 K HA 0.287 4.607 4.320 -0.001 0.000 0.200 128 K C 0.484 176.982 176.600 -0.169 0.000 1.344 128 K CA 0.210 56.401 56.287 -0.160 0.000 0.948 128 K CB 0.578 33.022 32.500 -0.093 0.000 1.454 128 K HN 0.287 nan 8.250 nan 0.000 0.502 129 Q N 1.255 120.940 119.800 -0.192 0.000 2.523 129 Q HA 0.236 4.575 4.340 -0.001 0.000 0.251 129 Q C -2.396 173.435 176.000 -0.281 0.000 1.033 129 Q CA -1.972 53.717 55.803 -0.189 0.000 0.746 129 Q CB 2.116 30.781 28.738 -0.122 0.000 1.189 129 Q HN 0.106 nan 8.270 nan 0.000 0.508 130 P HA -0.173 nan 4.420 nan 0.000 0.217 130 P C 0.950 177.992 177.300 -0.430 0.000 1.150 130 P CA 1.057 63.755 63.100 -0.670 0.000 0.832 130 P CB 0.378 31.497 31.700 -0.968 0.000 0.787 131 L N -1.322 119.741 121.223 -0.266 0.000 2.141 131 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 131 L C 2.381 179.172 176.870 -0.132 0.000 1.094 131 L CA 1.232 55.971 54.840 -0.168 0.000 0.763 131 L CB -0.944 41.072 42.059 -0.072 0.000 0.908 131 L HN -0.031 nan 8.230 nan 0.000 0.437 132 A N -0.331 122.418 122.820 -0.119 0.000 1.898 132 A HA -0.268 4.052 4.320 -0.001 0.000 0.216 132 A C 2.209 179.743 177.584 -0.084 0.000 1.181 132 A CA 1.844 53.833 52.037 -0.079 0.000 0.620 132 A CB -0.426 18.531 19.000 -0.070 0.000 0.819 132 A HN 0.340 nan 8.150 nan 0.000 0.442 133 M N 0.296 119.821 119.600 -0.125 0.000 2.175 133 M HA 0.022 4.502 4.480 -0.001 0.000 0.264 133 M C 2.121 178.382 176.300 -0.066 0.000 1.063 133 M CA 1.500 56.744 55.300 -0.094 0.000 1.119 133 M CB -0.742 31.775 32.600 -0.138 0.000 1.377 133 M HN 0.377 nan 8.290 nan 0.000 0.415 134 A N 0.260 123.013 122.820 -0.112 0.000 1.883 134 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 134 A C 2.299 179.846 177.584 -0.062 0.000 1.186 134 A CA 2.045 54.033 52.037 -0.081 0.000 0.624 134 A CB -0.710 18.213 19.000 -0.128 0.000 0.822 134 A HN 0.599 nan 8.150 nan 0.000 0.444 135 R N -0.701 119.753 120.500 -0.076 0.000 2.096 135 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 135 R C 2.601 178.901 176.300 -0.000 0.000 1.127 135 R CA 1.819 57.895 56.100 -0.040 0.000 0.968 135 R CB -0.376 29.908 30.300 -0.027 0.000 0.861 135 R HN 0.583 nan 8.270 nan 0.000 0.440 136 K N 0.545 120.947 120.400 0.004 0.000 2.062 136 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 136 K C 2.046 178.686 176.600 0.067 0.000 1.051 136 K CA 1.630 57.934 56.287 0.027 0.000 0.941 136 K CB -0.718 31.792 32.500 0.017 0.000 0.719 136 K HN 0.107 nan 8.250 nan 0.000 0.440 137 S N 0.826 116.581 115.700 0.092 0.000 2.382 137 S HA -0.050 4.420 4.470 -0.001 0.000 0.228 137 S C 1.864 176.545 174.600 0.136 0.000 1.027 137 S CA 1.033 59.358 58.200 0.209 0.000 0.991 137 S CB -0.201 63.138 63.200 0.232 0.000 0.823 137 S HN 0.427 nan 8.310 nan 0.000 0.469 138 L N 1.786 123.028 121.223 0.032 0.000 2.046 138 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 138 L C 2.128 179.010 176.870 0.019 0.000 1.077 138 L CA 1.841 56.670 54.840 -0.018 0.000 0.747 138 L CB -1.726 40.313 42.059 -0.033 0.000 0.896 138 L HN 0.301 nan 8.230 nan 0.000 0.432 139 T N -0.318 114.260 114.554 0.040 0.000 2.708 139 T HA -0.237 4.113 4.350 -0.001 0.000 0.266 139 T C 1.722 176.456 174.700 0.055 0.000 1.037 139 T CA 1.647 63.772 62.100 0.041 0.000 1.146 139 T CB -0.103 68.788 68.868 0.038 0.000 0.865 139 T HN 0.419 nan 8.240 nan 0.000 0.435 140 E N 0.326 120.583 120.200 0.094 0.000 2.038 140 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 140 E C 2.213 178.909 176.600 0.160 0.000 1.000 140 E CA 1.343 57.817 56.400 0.122 0.000 0.803 140 E CB -0.174 29.629 29.700 0.172 0.000 0.750 140 E HN 0.306 nan 8.360 nan 0.000 0.448 141 M N 0.742 120.476 119.600 0.225 0.000 2.108 141 M HA -0.122 4.358 4.480 -0.001 0.000 0.261 141 M C 2.029 178.349 176.300 0.033 0.000 1.066 141 M CA 2.050 57.438 55.300 0.147 0.000 1.107 141 M CB -0.312 32.261 32.600 -0.044 0.000 1.356 141 M HN 0.173 nan 8.290 nan 0.000 0.406 142 A N -0.838 121.990 122.820 0.013 0.000 1.933 142 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 142 A C 1.921 179.499 177.584 -0.009 0.000 1.175 142 A CA 2.199 54.232 52.037 -0.008 0.000 0.628 142 A CB -1.192 17.807 19.000 -0.001 0.000 0.814 142 A HN 0.634 nan 8.150 nan 0.000 0.444 143 D N -0.290 120.112 120.400 0.003 0.000 2.144 143 D HA -0.076 4.564 4.640 -0.001 0.000 0.200 143 D C 1.806 178.087 176.300 -0.032 0.000 0.978 143 D CA 0.957 54.953 54.000 -0.008 0.000 0.833 143 D CB -0.178 40.623 40.800 0.001 0.000 0.961 143 D HN 0.415 nan 8.370 nan 0.000 0.470 144 L N -0.286 120.913 121.223 -0.040 0.000 2.131 144 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 144 L C 1.816 178.601 176.870 -0.141 0.000 1.092 144 L CA 0.745 55.520 54.840 -0.108 0.000 0.759 144 L CB -0.162 41.812 42.059 -0.141 0.000 0.903 144 L HN 0.168 nan 8.230 nan 0.000 0.435 145 L N -1.021 120.141 121.223 -0.102 0.000 2.667 145 L HA 0.167 4.507 4.340 -0.001 0.000 0.232 145 L C 0.160 176.993 176.870 -0.063 0.000 1.138 145 L CA -0.253 54.529 54.840 -0.097 0.000 0.921 145 L CB -0.148 41.860 42.059 -0.085 0.000 1.180 145 L HN 0.270 nan 8.230 nan 0.000 0.487 146 N N 1.473 120.143 118.700 -0.049 0.000 2.725 146 N HA -0.187 4.553 4.740 -0.001 0.000 0.251 146 N C -0.017 175.479 175.510 -0.025 0.000 1.031 146 N CA 0.775 53.805 53.050 -0.033 0.000 0.720 146 N CB -1.166 37.301 38.487 -0.033 0.000 0.930 146 N HN 0.382 nan 8.380 nan 0.000 0.543 147 L N 0.414 121.624 121.223 -0.022 0.000 3.209 147 L HA 0.137 4.476 4.340 -0.001 0.000 0.279 147 L C 1.499 178.367 176.870 -0.003 0.000 1.301 147 L CA -0.327 54.505 54.840 -0.014 0.000 1.004 147 L CB 0.501 42.547 42.059 -0.021 0.000 1.402 147 L HN -0.045 nan 8.230 nan 0.000 0.577 148 Q N -0.033 119.766 119.800 -0.001 0.000 2.112 148 Q HA -0.222 4.118 4.340 -0.001 0.000 0.206 148 Q C 2.462 178.472 176.000 0.017 0.000 0.987 148 Q CA 2.158 57.966 55.803 0.008 0.000 0.858 148 Q CB -0.200 28.542 28.738 0.006 0.000 0.905 148 Q HN 0.450 nan 8.270 nan 0.000 0.420 149 S N -0.426 115.283 115.700 0.015 0.000 2.368 149 S HA -0.123 4.346 4.470 -0.001 0.000 0.224 149 S C 1.955 176.574 174.600 0.031 0.000 1.029 149 S CA 1.018 59.231 58.200 0.022 0.000 0.988 149 S CB -0.371 62.839 63.200 0.016 0.000 0.838 149 S HN 0.467 nan 8.310 nan 0.000 0.462 150 A N 1.375 124.210 122.820 0.026 0.000 1.940 150 A HA 0.114 4.433 4.320 -0.001 0.000 0.219 150 A C 2.444 180.064 177.584 0.061 0.000 1.176 150 A CA 1.974 54.032 52.037 0.036 0.000 0.631 150 A CB -1.354 17.655 19.000 0.016 0.000 0.814 150 A HN 0.758 nan 8.150 nan 0.000 0.446 151 A N -0.117 122.732 122.820 0.048 0.000 1.902 151 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 151 A C 1.901 179.547 177.584 0.104 0.000 1.181 151 A CA 1.637 53.715 52.037 0.068 0.000 0.623 151 A CB -0.556 18.467 19.000 0.039 0.000 0.818 151 A HN 0.647 nan 8.150 nan 0.000 0.443 152 E N -0.833 119.411 120.200 0.073 0.000 2.077 152 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 152 E C 2.025 178.671 176.600 0.077 0.000 0.989 152 E CA 1.589 58.031 56.400 0.069 0.000 0.800 152 E CB -0.363 29.365 29.700 0.048 0.000 0.746 152 E HN 0.573 nan 8.360 nan 0.000 0.452 153 T N 0.148 114.748 114.554 0.078 0.000 2.777 153 T HA -0.183 4.167 4.350 -0.001 0.000 0.266 153 T C 1.693 176.447 174.700 0.089 0.000 1.040 153 T CA 1.224 63.367 62.100 0.072 0.000 1.141 153 T CB -0.267 68.639 68.868 0.064 0.000 0.868 153 T HN 0.333 nan 8.240 nan 0.000 0.444 154 H N 1.042 120.142 119.070 0.049 0.000 2.357 154 H HA 0.079 4.635 4.556 -0.000 0.000 0.301 154 H C 2.219 177.614 175.328 0.112 0.000 1.082 154 H CA 1.087 57.175 56.048 0.066 0.000 1.342 154 H CB -0.382 29.406 29.762 0.043 0.000 1.389 154 H HN 0.298 nan 8.280 nan 0.000 0.511 155 L N 0.454 121.743 121.223 0.110 0.000 2.131 155 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 155 L C 3.083 180.009 176.870 0.093 0.000 1.092 155 L CA 0.978 55.885 54.840 0.112 0.000 0.759 155 L CB -0.509 41.631 42.059 0.134 0.000 0.903 155 L HN 0.308 nan 8.230 nan 0.000 0.435 156 A N -0.639 122.217 122.820 0.059 0.000 1.898 156 A HA -0.258 4.062 4.320 -0.001 0.000 0.216 156 A C 2.268 179.873 177.584 0.035 0.000 1.181 156 A CA 1.593 53.661 52.037 0.052 0.000 0.620 156 A CB -0.521 18.505 19.000 0.043 0.000 0.819 156 A HN 0.468 nan 8.150 nan 0.000 0.442 157 Q N -1.775 118.022 119.800 -0.004 0.000 2.096 157 Q HA -0.250 4.089 4.340 -0.001 0.000 0.204 157 Q C 1.944 177.949 176.000 0.007 0.000 0.982 157 Q CA 2.125 57.918 55.803 -0.017 0.000 0.850 157 Q CB -0.349 28.345 28.738 -0.074 0.000 0.901 157 Q HN 0.758 nan 8.270 nan 0.000 0.422 158 Y N 1.843 122.050 120.300 -0.155 0.000 2.114 158 Y HA -0.275 4.274 4.550 -0.001 0.000 0.284 158 Y C 2.065 178.014 175.900 0.082 0.000 1.143 158 Y CA 2.454 60.525 58.100 -0.048 0.000 1.135 158 Y CB -0.324 38.066 38.460 -0.117 0.000 0.980 158 Y HN 0.362 nan 8.280 nan 0.000 0.499 159 E N -0.523 119.674 120.200 -0.005 0.000 2.110 159 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 159 E C 1.592 178.155 176.600 -0.061 0.000 0.988 159 E CA 1.752 58.114 56.400 -0.062 0.000 0.804 159 E CB -0.572 29.171 29.700 0.071 0.000 0.745 159 E HN 0.426 nan 8.360 nan 0.000 0.458 160 D N -0.057 120.343 120.400 0.000 0.000 2.097 160 D HA -0.116 4.524 4.640 -0.001 0.000 0.197 160 D C 1.564 177.891 176.300 0.045 0.000 0.984 160 D CA 0.910 54.926 54.000 0.026 0.000 0.826 160 D CB -0.422 40.408 40.800 0.049 0.000 0.973 160 D HN 0.212 nan 8.370 nan 0.000 0.460 161 F N 1.938 121.833 119.950 -0.092 0.000 2.069 161 F HA -0.207 4.319 4.527 -0.000 0.000 0.298 161 F C 2.100 177.870 175.800 -0.050 0.000 1.113 161 F CA 1.030 58.990 58.000 -0.066 0.000 1.214 161 F CB -0.276 38.683 39.000 -0.068 0.000 0.978 161 F HN -0.162 nan 8.300 nan 0.000 0.474 162 I N 0.694 121.125 120.570 -0.232 0.000 2.118 162 I HA -0.321 3.848 4.170 -0.001 0.000 0.241 162 I C 2.620 178.705 176.117 -0.054 0.000 1.070 162 I CA 1.780 62.943 61.300 -0.228 0.000 1.327 162 I CB -1.586 36.225 38.000 -0.315 0.000 1.034 162 I HN 0.232 nan 8.210 nan 0.000 0.405 163 R N 1.111 121.580 120.500 -0.052 0.000 2.096 163 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 163 R C 2.547 178.832 176.300 -0.025 0.000 1.127 163 R CA 1.867 57.972 56.100 0.009 0.000 0.968 163 R CB -0.068 30.233 30.300 0.002 0.000 0.861 163 R HN 0.519 nan 8.270 nan 0.000 0.440 164 S N -0.117 115.537 115.700 -0.077 0.000 2.419 164 S HA -0.101 4.369 4.470 -0.001 0.000 0.233 164 S C 1.796 176.306 174.600 -0.150 0.000 1.016 164 S CA 0.930 59.077 58.200 -0.089 0.000 0.974 164 S CB 0.001 63.167 63.200 -0.057 0.000 0.786 164 S HN 0.260 nan 8.310 nan 0.000 0.492 165 M N 0.976 120.436 119.600 -0.233 0.000 2.556 165 M HA 0.278 4.758 4.480 -0.001 0.000 0.245 165 M C 1.920 178.036 176.300 -0.307 0.000 1.128 165 M CA 0.455 55.588 55.300 -0.278 0.000 1.069 165 M CB -0.869 31.524 32.600 -0.344 0.000 1.469 165 M HN 0.437 nan 8.290 nan 0.000 0.494 166 K N 1.691 121.957 120.400 -0.223 0.000 2.074 166 K HA -0.145 4.174 4.320 -0.001 0.000 0.209 166 K C -0.785 175.727 176.600 -0.147 0.000 1.048 166 K CA 1.514 57.669 56.287 -0.221 0.000 0.926 166 K CB -0.697 31.826 32.500 0.039 0.000 0.713 166 K HN 0.167 nan 8.250 nan 0.000 0.444 167 P HA -0.151 nan 4.420 nan 0.000 0.225 167 P C 0.431 177.595 177.300 -0.227 0.000 1.148 167 P CA 0.990 64.010 63.100 -0.133 0.000 0.779 167 P CB 0.014 31.648 31.700 -0.109 0.000 0.780 168 R N -1.000 119.259 120.500 -0.401 0.000 2.316 168 R HA 0.056 4.396 4.340 -0.001 0.000 0.202 168 R C 0.836 176.573 176.300 -0.938 0.000 1.029 168 R CA 0.669 56.353 56.100 -0.693 0.000 1.018 168 R CB -0.706 29.029 30.300 -0.941 0.000 0.888 168 R HN 0.364 nan 8.270 nan 0.000 0.471 169 F N -1.955 117.845 119.950 -0.251 0.000 2.775 169 F HA 0.236 4.762 4.527 -0.001 0.000 0.313 169 F C 1.838 177.573 175.800 -0.109 0.000 1.121 169 F CA -0.236 57.655 58.000 -0.182 0.000 1.206 169 F CB -0.145 38.717 39.000 -0.229 0.000 1.052 169 F HN -0.242 nan 8.300 nan 0.000 0.524 170 V N -0.108 119.808 119.914 0.004 0.000 2.871 170 V HA -0.131 3.989 4.120 -0.001 0.000 0.256 170 V C 2.311 178.408 176.094 0.005 0.000 1.082 170 V CA 1.678 63.985 62.300 0.012 0.000 1.105 170 V CB -0.216 31.596 31.823 -0.018 0.000 0.713 170 V HN -0.008 nan 8.190 nan 0.000 0.473 171 K N 1.401 121.789 120.400 -0.019 0.000 2.002 171 K HA -0.081 4.238 4.320 -0.001 0.000 0.209 171 K C 1.297 177.903 176.600 0.010 0.000 1.048 171 K CA 1.095 57.371 56.287 -0.018 0.000 0.930 171 K CB -0.335 32.137 32.500 -0.046 0.000 0.714 171 K HN 0.876 nan 8.250 nan 0.000 0.438 172 R N 0.314 120.834 120.500 0.033 0.000 2.694 172 R HA 0.257 4.597 4.340 -0.001 0.000 0.268 172 R C 0.976 177.306 176.300 0.050 0.000 1.061 172 R CA 0.212 56.340 56.100 0.048 0.000 1.133 172 R CB 0.330 30.676 30.300 0.076 0.000 1.020 172 R HN 0.008 nan 8.270 nan 0.000 0.475 173 G N 0.154 108.980 108.800 0.044 0.000 3.286 173 G HA2 0.309 4.269 3.960 -0.001 0.000 0.173 173 G HA3 0.309 4.269 3.960 -0.001 0.000 0.173 173 G C 0.237 175.165 174.900 0.048 0.000 1.704 173 G CA -0.237 44.887 45.100 0.041 0.000 1.041 173 G HN 0.695 nan 8.290 nan 0.000 0.561 174 A N -0.780 122.066 122.820 0.043 0.000 2.379 174 A HA 0.375 4.695 4.320 -0.001 0.000 0.236 174 A C 1.321 178.934 177.584 0.049 0.000 1.272 174 A CA -0.240 51.825 52.037 0.046 0.000 0.886 174 A CB -0.268 18.756 19.000 0.040 0.000 0.962 174 A HN 0.411 nan 8.150 nan 0.000 0.504 175 R N 2.065 122.595 120.500 0.050 0.000 2.473 175 R HA 0.096 4.436 4.340 -0.001 0.000 0.315 175 R C -2.234 174.099 176.300 0.056 0.000 0.972 175 R CA -0.979 55.154 56.100 0.054 0.000 1.047 175 R CB 0.281 30.612 30.300 0.051 0.000 0.932 175 R HN 0.190 nan 8.270 nan 0.000 0.411 176 P HA -0.027 nan 4.420 nan 0.000 0.271 176 P C -1.090 176.233 177.300 0.038 0.000 1.244 176 P CA -0.279 62.857 63.100 0.061 0.000 0.793 176 P CB 0.664 32.414 31.700 0.084 0.000 0.984 177 L N 1.203 122.442 121.223 0.027 0.000 2.386 177 L HA 0.547 4.887 4.340 -0.001 0.000 0.271 177 L C -1.363 175.486 176.870 -0.036 0.000 0.993 177 L CA -0.966 53.870 54.840 -0.005 0.000 0.819 177 L CB 1.654 43.725 42.059 0.021 0.000 1.294 177 L HN 0.147 nan 8.230 nan 0.000 0.414 178 L N 5.415 126.571 121.223 -0.112 0.000 2.305 178 L HA 0.602 4.941 4.340 -0.001 0.000 0.284 178 L C -1.384 175.415 176.870 -0.119 0.000 1.013 178 L CA -0.144 54.602 54.840 -0.157 0.000 0.819 178 L CB 1.324 43.181 42.059 -0.338 0.000 1.227 178 L HN 0.563 nan 8.230 nan 0.000 0.417 179 L N 5.225 126.433 121.223 -0.025 0.000 2.296 179 L HA 0.741 5.081 4.340 -0.001 0.000 0.286 179 L C 0.103 177.064 176.870 0.151 0.000 1.023 179 L CA -0.344 54.502 54.840 0.009 0.000 0.812 179 L CB 1.635 43.748 42.059 0.090 0.000 1.223 179 L HN 0.776 nan 8.230 nan 0.000 0.421 180 T N -1.114 113.478 114.554 0.064 0.000 2.754 180 T HA 0.664 5.014 4.350 -0.001 0.000 0.296 180 T C -0.637 174.227 174.700 0.273 0.000 1.205 180 T CA -0.758 61.422 62.100 0.134 0.000 1.009 180 T CB 2.416 71.311 68.868 0.044 0.000 1.368 180 T HN 0.444 nan 8.240 nan 0.000 0.509 181 T N 0.524 115.238 114.554 0.266 0.000 3.159 181 T HA 0.487 4.837 4.350 -0.001 0.000 0.343 181 T C -1.971 172.906 174.700 0.295 0.000 1.364 181 T CA -0.637 61.698 62.100 0.391 0.000 1.102 181 T CB 1.360 70.618 68.868 0.650 0.000 1.263 181 T HN 0.827 nan 8.240 nan 0.000 0.477 182 L N 6.538 127.937 121.223 0.293 0.000 2.313 182 L HA 0.525 4.865 4.340 -0.001 0.000 0.282 182 L C 0.972 178.051 176.870 0.348 0.000 1.092 182 L CA 0.206 55.172 54.840 0.210 0.000 0.831 182 L CB 0.091 42.188 42.059 0.062 0.000 1.159 182 L HN 0.803 nan 8.230 nan 0.000 0.442 183 I N 2.386 123.118 120.570 0.270 0.000 2.339 183 I HA 0.049 4.218 4.170 -0.001 0.000 0.245 183 I C -0.091 176.170 176.117 0.240 0.000 1.096 183 I CA 0.578 62.047 61.300 0.282 0.000 1.408 183 I CB -0.070 38.038 38.000 0.181 0.000 1.092 183 I HN 0.741 nan 8.210 nan 0.000 0.423 184 D N -1.870 118.646 120.400 0.193 0.000 2.639 184 D HA 0.187 4.827 4.640 -0.001 0.000 0.271 184 D C -2.445 173.933 176.300 0.129 0.000 1.254 184 D CA -1.781 52.313 54.000 0.157 0.000 0.810 184 D CB 0.805 41.696 40.800 0.151 0.000 1.351 184 D HN -0.318 nan 8.370 nan 0.000 0.427 185 P HA -0.113 nan 4.420 nan 0.000 0.218 185 P C 1.105 178.426 177.300 0.034 0.000 1.146 185 P CA 2.696 65.813 63.100 0.030 0.000 0.820 185 P CB 0.091 31.804 31.700 0.022 0.000 0.778 186 R N -1.666 118.894 120.500 0.100 0.000 2.362 186 R HA 0.185 4.525 4.340 -0.001 0.000 0.227 186 R C -0.026 176.060 176.300 -0.356 0.000 0.905 186 R CA 0.472 56.539 56.100 -0.055 0.000 1.067 186 R CB -1.091 29.197 30.300 -0.020 0.000 1.078 186 R HN 0.385 nan 8.270 nan 0.000 0.516 187 H N -1.462 117.630 119.070 0.037 0.000 2.947 187 H HA 0.613 5.169 4.556 -0.000 0.000 0.354 187 H C -0.886 174.460 175.328 0.029 0.000 1.085 187 H CA -0.826 55.242 56.048 0.033 0.000 1.253 187 H CB 1.627 31.407 29.762 0.031 0.000 1.757 187 H HN 0.031 nan 8.280 nan 0.000 0.523 188 M N 2.847 122.504 119.600 0.096 0.000 2.311 188 M HA 0.324 4.803 4.480 -0.001 0.000 0.325 188 M C -0.724 175.536 176.300 -0.068 0.000 1.061 188 M CA -0.591 54.733 55.300 0.040 0.000 0.957 188 M CB 2.004 34.630 32.600 0.042 0.000 1.646 188 M HN 0.516 nan 8.290 nan 0.000 0.434 189 L N 3.453 124.609 121.223 -0.111 0.000 2.326 189 L HA 0.535 4.874 4.340 -0.001 0.000 0.278 189 L C -0.758 175.770 176.870 -0.570 0.000 1.092 189 L CA -0.501 54.129 54.840 -0.350 0.000 0.810 189 L CB 1.303 43.138 42.059 -0.374 0.000 1.153 189 L HN 0.384 nan 8.230 nan 0.000 0.439 190 V N 3.705 123.133 119.914 -0.811 0.000 2.735 190 V HA 0.419 4.538 4.120 -0.001 0.000 0.310 190 V C -0.755 174.738 176.094 -1.001 0.000 1.061 190 V CA -0.590 61.209 62.300 -0.835 0.000 0.913 190 V CB 2.023 33.269 31.823 -0.961 0.000 1.005 190 V HN 0.376 nan 8.190 nan 0.000 0.428 191 F N 2.289 122.149 119.950 -0.150 0.000 2.411 191 F HA 0.728 5.254 4.527 -0.001 0.000 0.352 191 F C 0.970 176.847 175.800 0.128 0.000 1.123 191 F CA -0.274 57.739 58.000 0.021 0.000 1.044 191 F CB 1.505 40.620 39.000 0.191 0.000 1.135 191 F HN 0.618 nan 8.300 nan 0.000 0.461 192 G N 2.613 111.604 108.800 0.318 0.000 2.543 192 G HA2 0.328 4.288 3.960 -0.001 0.000 0.267 192 G HA3 0.328 4.288 3.960 -0.001 0.000 0.267 192 G C -1.970 173.094 174.900 0.273 0.000 1.406 192 G CA -1.307 44.045 45.100 0.421 0.000 1.048 192 G HN 0.358 nan 8.290 nan 0.000 0.548 193 P HA -0.077 nan 4.420 nan 0.000 0.219 193 P C 1.043 178.384 177.300 0.069 0.000 1.146 193 P CA 1.147 64.316 63.100 0.114 0.000 0.808 193 P CB 0.132 31.878 31.700 0.076 0.000 0.779 194 N N -1.494 117.248 118.700 0.070 0.000 2.251 194 N HA 0.016 4.756 4.740 -0.001 0.000 0.217 194 N C -0.035 175.485 175.510 0.017 0.000 1.124 194 N CA -0.072 52.976 53.050 -0.004 0.000 0.843 194 N CB -0.459 37.995 38.487 -0.056 0.000 1.024 194 N HN 0.055 nan 8.380 nan 0.000 0.501 195 S N -0.299 115.459 115.700 0.096 0.000 2.645 195 S HA 0.215 4.684 4.470 -0.001 0.000 0.266 195 S C 1.237 175.793 174.600 -0.073 0.000 1.258 195 S CA -0.802 57.472 58.200 0.123 0.000 0.990 195 S CB 1.071 64.427 63.200 0.260 0.000 0.967 195 S HN 0.075 nan 8.310 nan 0.000 0.556 196 L N 0.553 121.638 121.223 -0.230 0.000 2.079 196 L HA 0.032 4.372 4.340 -0.001 0.000 0.210 196 L C 1.885 178.483 176.870 -0.453 0.000 1.081 196 L CA 1.765 56.364 54.840 -0.400 0.000 0.752 196 L CB -1.063 40.673 42.059 -0.538 0.000 0.896 196 L HN 0.819 nan 8.230 nan 0.000 0.433 197 F N -1.464 118.341 119.950 -0.242 0.000 2.407 197 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 197 F C 2.537 178.242 175.800 -0.158 0.000 1.097 197 F CA 0.612 58.377 58.000 -0.392 0.000 1.422 197 F CB -0.614 37.920 39.000 -0.775 0.000 1.067 197 F HN 0.156 nan 8.300 nan 0.000 0.539 198 Q N 1.404 121.243 119.800 0.064 0.000 2.077 198 Q HA -0.268 4.072 4.340 -0.001 0.000 0.206 198 Q C 2.072 178.080 176.000 0.015 0.000 0.989 198 Q CA 2.066 57.904 55.803 0.058 0.000 0.853 198 Q CB -0.428 28.338 28.738 0.047 0.000 0.907 198 Q HN 0.531 nan 8.270 nan 0.000 0.418 199 E N -0.669 119.523 120.200 -0.014 0.000 2.118 199 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 199 E C 1.868 178.427 176.600 -0.069 0.000 0.992 199 E CA 1.415 57.797 56.400 -0.029 0.000 0.804 199 E CB -0.196 29.491 29.700 -0.022 0.000 0.741 199 E HN 0.514 nan 8.360 nan 0.000 0.458 200 I N 0.666 121.200 120.570 -0.060 0.000 2.252 200 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 200 I C 2.315 178.227 176.117 -0.341 0.000 1.102 200 I CA 0.702 61.861 61.300 -0.234 0.000 1.385 200 I CB -0.189 37.806 38.000 -0.009 0.000 1.064 200 I HN 0.207 nan 8.210 nan 0.000 0.414 201 L N 0.267 121.448 121.223 -0.070 0.000 2.083 201 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 201 L C 2.107 178.955 176.870 -0.037 0.000 1.083 201 L CA 1.223 56.050 54.840 -0.021 0.000 0.752 201 L CB -0.747 41.355 42.059 0.072 0.000 0.899 201 L HN 0.259 nan 8.230 nan 0.000 0.433 202 D N -0.075 120.301 120.400 -0.040 0.000 2.144 202 D HA -0.215 4.425 4.640 -0.001 0.000 0.199 202 D C 2.052 178.336 176.300 -0.027 0.000 0.984 202 D CA 1.143 55.132 54.000 -0.019 0.000 0.834 202 D CB 0.034 40.825 40.800 -0.015 0.000 0.955 202 D HN 0.371 nan 8.370 nan 0.000 0.465 203 E N -0.789 119.349 120.200 -0.103 0.000 2.150 203 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 203 E C 0.915 177.579 176.600 0.108 0.000 0.985 203 E CA 0.662 57.022 56.400 -0.066 0.000 0.814 203 E CB 0.075 29.663 29.700 -0.187 0.000 0.752 203 E HN 0.255 nan 8.360 nan 0.000 0.466 204 Y N -0.529 119.737 120.300 -0.057 0.000 2.466 204 Y HA 0.312 4.862 4.550 -0.001 0.000 0.272 204 Y C 1.425 177.303 175.900 -0.037 0.000 1.169 204 Y CA 0.207 58.256 58.100 -0.084 0.000 1.285 204 Y CB 0.318 38.592 38.460 -0.311 0.000 1.078 204 Y HN 0.152 nan 8.280 nan 0.000 0.523 205 G N 1.187 110.061 108.800 0.123 0.000 2.198 205 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.260 205 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.260 205 G C -0.019 174.925 174.900 0.073 0.000 1.025 205 G CA 0.148 45.299 45.100 0.084 0.000 0.769 205 G HN 0.352 nan 8.290 nan 0.000 0.507 206 I N 1.098 121.708 120.570 0.066 0.000 2.307 206 I HA 0.280 4.449 4.170 -0.001 0.000 0.289 206 I C -2.040 174.110 176.117 0.056 0.000 1.021 206 I CA -2.383 58.951 61.300 0.057 0.000 1.224 206 I CB 1.669 39.693 38.000 0.040 0.000 1.376 206 I HN -0.135 nan 8.210 nan 0.000 0.470 207 P HA 0.050 nan 4.420 nan 0.000 0.271 207 P C -0.692 176.649 177.300 0.068 0.000 1.218 207 P CA -0.342 62.794 63.100 0.058 0.000 0.780 207 P CB 0.488 32.221 31.700 0.056 0.000 0.901 208 N N 1.828 120.575 118.700 0.078 0.000 2.419 208 N HA 0.196 4.935 4.740 -0.001 0.000 0.264 208 N C 0.968 176.540 175.510 0.103 0.000 1.031 208 N CA -0.206 52.904 53.050 0.100 0.000 0.951 208 N CB 0.913 39.478 38.487 0.130 0.000 1.101 208 N HN 0.293 nan 8.380 nan 0.000 0.488 209 A N 4.783 127.654 122.820 0.086 0.000 2.019 209 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 209 A C 0.839 178.520 177.584 0.162 0.000 1.164 209 A CA 0.440 52.533 52.037 0.093 0.000 0.644 209 A CB -0.335 18.626 19.000 -0.064 0.000 0.805 209 A HN 0.770 nan 8.150 nan 0.000 0.449 210 W N 0.917 122.201 121.300 -0.027 0.000 2.342 210 W HA 0.358 5.018 4.660 -0.000 0.000 0.310 210 W C -0.663 175.901 176.519 0.075 0.000 1.128 210 W CA -0.354 57.010 57.345 0.033 0.000 1.322 210 W CB 0.867 30.318 29.460 -0.015 0.000 1.251 210 W HN 0.270 nan 8.180 nan 0.000 0.439 211 Q N 4.057 123.590 119.800 -0.446 0.000 2.159 211 Q HA 0.169 4.509 4.340 -0.001 0.000 0.217 211 Q C 0.928 176.623 176.000 -0.507 0.000 0.818 211 Q CA -0.114 55.498 55.803 -0.317 0.000 1.008 211 Q CB 1.179 29.822 28.738 -0.158 0.000 1.148 211 Q HN 0.632 nan 8.270 nan 0.000 0.491 212 G N 1.443 109.536 108.800 -1.178 0.000 2.494 212 G HA2 0.200 4.159 3.960 -0.001 0.000 0.270 212 G HA3 0.200 4.159 3.960 -0.001 0.000 0.270 212 G C -0.023 174.825 174.900 -0.087 0.000 1.423 212 G CA -0.435 44.210 45.100 -0.758 0.000 1.055 212 G HN 0.269 nan 8.290 nan 0.000 0.536 213 E N -1.582 118.718 120.200 0.168 0.000 2.408 213 E HA 0.447 4.797 4.350 -0.001 0.000 0.259 213 E C -0.225 176.614 176.600 0.399 0.000 1.110 213 E CA -0.148 56.398 56.400 0.244 0.000 0.929 213 E CB 0.685 30.502 29.700 0.196 0.000 0.971 213 E HN 0.516 nan 8.360 nan 0.000 0.438 214 T N -0.197 114.512 114.554 0.257 0.000 2.816 214 T HA 0.376 4.725 4.350 -0.001 0.000 0.299 214 T C -0.533 174.270 174.700 0.171 0.000 1.230 214 T CA -1.083 61.153 62.100 0.226 0.000 1.007 214 T CB 1.018 70.017 68.868 0.218 0.000 1.289 214 T HN 0.693 nan 8.240 nan 0.000 0.508 215 N N -0.043 118.770 118.700 0.188 0.000 2.476 215 N HA 0.328 5.067 4.740 -0.001 0.000 0.287 215 N C 0.711 176.309 175.510 0.148 0.000 1.262 215 N CA -1.408 51.775 53.050 0.222 0.000 0.980 215 N CB -0.095 38.614 38.487 0.371 0.000 1.163 215 N HN 0.602 nan 8.380 nan 0.000 0.592 216 F N -0.297 119.550 119.950 -0.172 0.000 2.120 216 F HA -0.040 4.487 4.527 -0.001 0.000 0.300 216 F C 0.948 176.518 175.800 -0.384 0.000 1.095 216 F CA 1.288 58.989 58.000 -0.497 0.000 1.249 216 F CB 0.032 38.356 39.000 -1.126 0.000 0.995 216 F HN 0.458 nan 8.300 nan 0.000 0.480 217 W N 0.647 121.995 121.300 0.080 0.000 3.292 217 W HA 0.288 4.949 4.660 0.000 0.000 0.263 217 W C 1.646 178.274 176.519 0.182 0.000 1.318 217 W CA 0.769 58.127 57.345 0.021 0.000 1.663 217 W CB -0.965 28.240 29.460 -0.426 0.000 1.114 217 W HN 0.383 nan 8.180 nan 0.000 0.706 218 G N 1.249 110.205 108.800 0.260 0.000 2.132 218 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.234 218 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.234 218 G C 0.230 175.302 174.900 0.287 0.000 0.989 218 G CA 0.401 45.659 45.100 0.264 0.000 0.676 218 G HN 0.266 nan 8.290 nan 0.000 0.522 219 S N -1.634 114.203 115.700 0.228 0.000 2.704 219 S HA 0.909 5.379 4.470 -0.001 0.000 0.296 219 S C -0.599 173.964 174.600 -0.061 0.000 1.138 219 S CA 0.171 58.340 58.200 -0.053 0.000 0.875 219 S CB 3.066 66.172 63.200 -0.157 0.000 1.151 219 S HN 1.393 nan 8.310 nan 0.000 0.500 220 T N -0.388 114.015 114.554 -0.253 0.000 3.047 220 T HA 0.611 4.960 4.350 -0.001 0.000 0.340 220 T C -1.498 173.051 174.700 -0.250 0.000 1.421 220 T CA -0.181 61.827 62.100 -0.154 0.000 1.090 220 T CB 1.158 69.999 68.868 -0.047 0.000 1.292 220 T HN 1.386 nan 8.240 nan 0.000 0.480 221 A N 2.966 125.723 122.820 -0.106 0.000 2.289 221 A HA 0.788 5.108 4.320 -0.001 0.000 0.298 221 A C 0.156 177.731 177.584 -0.015 0.000 1.208 221 A CA -0.371 51.631 52.037 -0.059 0.000 0.845 221 A CB 0.222 19.241 19.000 0.031 0.000 1.125 221 A HN 1.480 nan 8.150 nan 0.000 0.517 222 V N 0.930 120.820 119.914 -0.040 0.000 2.962 222 V HA 0.850 4.969 4.120 -0.001 0.000 0.313 222 V C 0.105 176.199 176.094 0.000 0.000 1.099 222 V CA -0.279 62.020 62.300 -0.002 0.000 0.971 222 V CB 1.435 33.229 31.823 -0.048 0.000 1.028 222 V HN 1.218 nan 8.190 nan 0.000 0.430 223 S N 2.343 118.036 115.700 -0.012 0.000 2.576 223 S HA 0.368 4.837 4.470 -0.001 0.000 0.276 223 S C 0.902 175.506 174.600 0.007 0.000 1.339 223 S CA -0.313 57.834 58.200 -0.088 0.000 1.039 223 S CB 0.755 63.913 63.200 -0.069 0.000 0.902 223 S HN 0.751 nan 8.310 nan 0.000 0.516 224 I N 2.219 122.794 120.570 0.008 0.000 2.315 224 I HA -0.228 3.941 4.170 -0.001 0.000 0.251 224 I C 2.394 178.586 176.117 0.124 0.000 1.125 224 I CA 1.623 62.989 61.300 0.109 0.000 1.392 224 I CB -0.891 37.184 38.000 0.124 0.000 1.065 224 I HN 0.876 nan 8.210 nan 0.000 0.424 225 D N 1.089 121.533 120.400 0.074 0.000 2.178 225 D HA -0.235 4.405 4.640 -0.001 0.000 0.201 225 D C 2.242 178.603 176.300 0.102 0.000 0.980 225 D CA 1.668 55.707 54.000 0.066 0.000 0.842 225 D CB -0.460 40.363 40.800 0.037 0.000 0.948 225 D HN 0.390 nan 8.370 nan 0.000 0.472 226 R N 1.141 121.721 120.500 0.134 0.000 2.241 226 R HA 0.040 4.380 4.340 -0.001 0.000 0.224 226 R C 2.593 179.078 176.300 0.308 0.000 1.101 226 R CA 1.044 57.264 56.100 0.200 0.000 0.995 226 R CB -1.606 28.833 30.300 0.231 0.000 0.870 226 R HN 0.401 nan 8.270 nan 0.000 0.463 227 L N -0.448 120.964 121.223 0.314 0.000 2.418 227 L HA 0.172 4.512 4.340 -0.001 0.000 0.218 227 L C 2.959 180.105 176.870 0.461 0.000 1.125 227 L CA 0.692 55.824 54.840 0.487 0.000 0.835 227 L CB -0.177 42.166 42.059 0.472 0.000 0.953 227 L HN 0.427 nan 8.230 nan 0.000 0.454 228 A N 0.445 123.380 122.820 0.191 0.000 2.121 228 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 228 A C 2.519 180.130 177.584 0.045 0.000 1.154 228 A CA 1.313 53.374 52.037 0.039 0.000 0.679 228 A CB -0.370 18.610 19.000 -0.032 0.000 0.795 228 A HN 0.365 nan 8.150 nan 0.000 0.458 229 A N -1.066 121.771 122.820 0.029 0.000 1.972 229 A HA 0.008 4.327 4.320 -0.001 0.000 0.219 229 A C 0.653 178.092 177.584 -0.242 0.000 1.169 229 A CA 0.500 52.441 52.037 -0.159 0.000 0.635 229 A CB -0.568 18.253 19.000 -0.297 0.000 0.810 229 A HN 0.508 nan 8.150 nan 0.000 0.446 230 Y N 1.061 121.469 120.300 0.180 0.000 2.585 230 Y HA 0.197 4.747 4.550 -0.001 0.000 0.354 230 Y C 1.302 177.334 175.900 0.220 0.000 1.024 230 Y CA -0.159 58.061 58.100 0.199 0.000 1.321 230 Y CB 0.500 39.094 38.460 0.223 0.000 1.151 230 Y HN 0.203 nan 8.280 nan 0.000 0.525 231 K N 1.079 121.588 120.400 0.182 0.000 2.021 231 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 231 K C 0.055 176.753 176.600 0.163 0.000 1.047 231 K CA 1.378 57.742 56.287 0.128 0.000 0.943 231 K CB 0.193 32.724 32.500 0.050 0.000 0.725 231 K HN 0.417 nan 8.250 nan 0.000 0.439 232 D N 1.043 121.538 120.400 0.159 0.000 2.441 232 D HA 0.164 4.803 4.640 -0.001 0.000 0.287 232 D C -1.397 174.986 176.300 0.139 0.000 1.198 232 D CA -0.487 53.596 54.000 0.139 0.000 0.894 232 D CB 0.778 41.631 40.800 0.089 0.000 1.070 232 D HN -0.004 nan 8.370 nan 0.000 0.499 233 V N -0.848 119.160 119.914 0.156 0.000 3.130 233 V HA 0.669 4.789 4.120 -0.001 0.000 0.310 233 V C -0.688 175.426 176.094 0.034 0.000 1.158 233 V CA -0.977 61.376 62.300 0.088 0.000 1.029 233 V CB 2.249 34.120 31.823 0.080 0.000 1.057 233 V HN 0.066 nan 8.190 nan 0.000 0.436 234 D N 1.390 121.786 120.400 -0.006 0.000 2.210 234 D HA 0.594 5.233 4.640 -0.001 0.000 0.249 234 D C -0.720 175.506 176.300 -0.123 0.000 1.078 234 D CA 0.089 54.069 54.000 -0.033 0.000 0.875 234 D CB 2.077 42.868 40.800 -0.015 0.000 1.175 234 D HN 0.533 nan 8.370 nan 0.000 0.440 235 V N 3.687 123.507 119.914 -0.156 0.000 2.444 235 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 235 V C 0.126 176.094 176.094 -0.210 0.000 1.022 235 V CA -0.752 61.417 62.300 -0.219 0.000 0.850 235 V CB 1.672 33.265 31.823 -0.383 0.000 0.992 235 V HN 0.314 nan 8.190 nan 0.000 0.426 236 L N 4.025 125.090 121.223 -0.263 0.000 2.329 236 L HA 0.632 4.972 4.340 -0.001 0.000 0.279 236 L C -0.514 176.094 176.870 -0.435 0.000 1.014 236 L CA -0.357 54.239 54.840 -0.406 0.000 0.814 236 L CB 1.908 43.707 42.059 -0.433 0.000 1.257 236 L HN 0.682 nan 8.230 nan 0.000 0.424 237 C N 3.554 122.586 119.300 -0.446 0.000 2.344 237 C HA 0.494 4.954 4.460 -0.001 0.000 0.326 237 C C -0.078 174.779 174.990 -0.221 0.000 1.201 237 C CA -0.825 58.060 59.018 -0.221 0.000 1.410 237 C CB -0.315 27.497 27.740 0.122 0.000 2.070 237 C HN 0.597 nan 8.230 nan 0.000 0.445 238 F N 4.943 124.961 119.950 0.113 0.000 2.533 238 F HA 0.189 4.716 4.527 -0.001 0.000 0.378 238 F C 1.165 177.034 175.800 0.114 0.000 1.070 238 F CA 0.335 58.414 58.000 0.131 0.000 1.172 238 F CB 0.353 39.513 39.000 0.267 0.000 1.085 238 F HN 0.532 nan 8.300 nan 0.000 0.552 239 D N 2.796 123.287 120.400 0.152 0.000 2.357 239 D HA 0.073 4.712 4.640 -0.001 0.000 0.242 239 D C 0.431 176.689 176.300 -0.070 0.000 1.153 239 D CA 0.250 54.223 54.000 -0.045 0.000 0.918 239 D CB 0.587 41.346 40.800 -0.068 0.000 1.181 239 D HN 0.665 nan 8.370 nan 0.000 0.435 240 H N -0.291 118.643 119.070 -0.226 0.000 3.080 240 H HA 0.149 4.704 4.556 -0.001 0.000 0.211 240 H C -0.680 174.415 175.328 -0.388 0.000 1.359 240 H CA -0.479 55.253 56.048 -0.526 0.000 1.322 240 H CB -0.444 28.553 29.762 -1.274 0.000 2.164 240 H HN 0.307 nan 8.280 nan 0.000 0.526 241 D N 2.650 122.918 120.400 -0.219 0.000 2.689 241 D HA -0.207 4.432 4.640 -0.001 0.000 0.237 241 D C -0.333 175.893 176.300 -0.124 0.000 1.148 241 D CA 1.383 55.301 54.000 -0.136 0.000 0.656 241 D CB -1.303 39.442 40.800 -0.092 0.000 1.050 241 D HN 0.850 nan 8.370 nan 0.000 0.426 242 N N -1.392 117.182 118.700 -0.210 0.000 2.571 242 N HA 0.302 5.042 4.740 -0.001 0.000 0.298 242 N C 1.320 176.749 175.510 -0.135 0.000 1.671 242 N CA 0.194 53.142 53.050 -0.170 0.000 0.900 242 N CB 0.169 38.476 38.487 -0.301 0.000 1.365 242 N HN 0.152 nan 8.380 nan 0.000 0.493 243 S N 0.834 116.476 115.700 -0.096 0.000 2.400 243 S HA -0.192 4.277 4.470 -0.001 0.000 0.232 243 S C 2.125 176.693 174.600 -0.054 0.000 1.025 243 S CA 2.177 60.335 58.200 -0.070 0.000 0.993 243 S CB -0.419 62.752 63.200 -0.048 0.000 0.808 243 S HN 0.638 nan 8.310 nan 0.000 0.478 244 K N 1.260 121.636 120.400 -0.040 0.000 2.032 244 K HA -0.149 4.170 4.320 -0.001 0.000 0.209 244 K C 1.810 178.390 176.600 -0.033 0.000 1.048 244 K CA 1.846 58.118 56.287 -0.025 0.000 0.927 244 K CB -1.266 31.230 32.500 -0.008 0.000 0.712 244 K HN 0.593 nan 8.250 nan 0.000 0.441 245 D N -0.036 120.342 120.400 -0.037 0.000 2.117 245 D HA -0.082 4.557 4.640 -0.001 0.000 0.198 245 D C 2.051 178.297 176.300 -0.090 0.000 0.982 245 D CA 1.251 55.226 54.000 -0.041 0.000 0.828 245 D CB -0.041 40.750 40.800 -0.014 0.000 0.967 245 D HN 0.266 nan 8.370 nan 0.000 0.464 246 M N 1.069 120.601 119.600 -0.112 0.000 2.202 246 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 246 M C 1.417 177.623 176.300 -0.158 0.000 1.063 246 M CA 1.109 56.313 55.300 -0.160 0.000 1.097 246 M CB -0.749 31.782 32.600 -0.115 0.000 1.382 246 M HN -0.012 nan 8.290 nan 0.000 0.413 247 D N 0.427 120.771 120.400 -0.093 0.000 2.097 247 D HA -0.042 4.597 4.640 -0.001 0.000 0.197 247 D C 2.031 178.289 176.300 -0.070 0.000 0.984 247 D CA 1.619 55.580 54.000 -0.066 0.000 0.826 247 D CB -0.149 40.630 40.800 -0.035 0.000 0.973 247 D HN 0.311 nan 8.370 nan 0.000 0.460 248 A N 1.815 124.597 122.820 -0.064 0.000 1.908 248 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 248 A C 2.166 179.703 177.584 -0.077 0.000 1.181 248 A CA 0.904 52.912 52.037 -0.049 0.000 0.627 248 A CB -0.735 18.247 19.000 -0.031 0.000 0.818 248 A HN 0.248 nan 8.150 nan 0.000 0.445 249 L N -0.546 120.589 121.223 -0.147 0.000 1.994 249 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 249 L C 2.267 178.964 176.870 -0.289 0.000 1.071 249 L CA 2.467 57.164 54.840 -0.237 0.000 0.745 249 L CB -0.868 40.955 42.059 -0.393 0.000 0.892 249 L HN 0.479 nan 8.230 nan 0.000 0.431 250 M N -0.445 118.927 119.600 -0.380 0.000 2.700 250 M HA -0.079 4.400 4.480 -0.001 0.000 0.249 250 M C 1.812 178.135 176.300 0.039 0.000 1.082 250 M CA 0.994 56.149 55.300 -0.241 0.000 1.077 250 M CB -0.290 32.204 32.600 -0.177 0.000 1.477 250 M HN 0.410 nan 8.290 nan 0.000 0.529 251 A N -0.221 122.601 122.820 0.003 0.000 2.169 251 A HA 0.063 4.383 4.320 -0.001 0.000 0.210 251 A C 1.248 178.862 177.584 0.049 0.000 1.168 251 A CA 0.375 52.432 52.037 0.033 0.000 0.813 251 A CB -0.460 18.545 19.000 0.009 0.000 0.861 251 A HN 0.458 nan 8.150 nan 0.000 0.481 252 T N -1.400 113.189 114.554 0.059 0.000 2.926 252 T HA 0.242 4.591 4.350 -0.001 0.000 0.307 252 T C -1.181 173.565 174.700 0.077 0.000 1.059 252 T CA -0.713 61.425 62.100 0.063 0.000 1.122 252 T CB 0.939 69.848 68.868 0.069 0.000 0.972 252 T HN 0.130 nan 8.240 nan 0.000 0.545 253 P HA -0.051 nan 4.420 nan 0.000 0.221 253 P C 1.783 179.088 177.300 0.009 0.000 1.150 253 P CA 0.407 63.520 63.100 0.022 0.000 0.800 253 P CB 0.090 31.795 31.700 0.007 0.000 0.787 254 L N -1.095 120.145 121.223 0.028 0.000 2.017 254 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 254 L C 2.531 179.392 176.870 -0.015 0.000 1.073 254 L CA 1.932 56.776 54.840 0.007 0.000 0.745 254 L CB -0.828 41.255 42.059 0.040 0.000 0.894 254 L HN 0.083 nan 8.230 nan 0.000 0.432 255 W N 0.924 122.156 121.300 -0.114 0.000 2.358 255 W HA -0.248 4.412 4.660 0.000 0.000 0.303 255 W C 2.269 178.676 176.519 -0.185 0.000 1.208 255 W CA 1.541 58.787 57.345 -0.166 0.000 1.274 255 W CB -0.198 29.174 29.460 -0.147 0.000 1.138 255 W HN 0.362 nan 8.180 nan 0.000 0.515 256 Q N -0.085 119.675 119.800 -0.067 0.000 2.224 256 Q HA -0.119 4.221 4.340 -0.001 0.000 0.203 256 Q C 2.267 178.132 176.000 -0.225 0.000 0.970 256 Q CA 1.510 57.234 55.803 -0.133 0.000 0.865 256 Q CB -0.373 28.356 28.738 -0.015 0.000 0.922 256 Q HN 0.228 nan 8.270 nan 0.000 0.445 257 A N 0.086 122.775 122.820 -0.218 0.000 2.169 257 A HA 0.037 4.356 4.320 -0.001 0.000 0.212 257 A C 0.878 178.264 177.584 -0.330 0.000 1.153 257 A CA -0.149 51.760 52.037 -0.213 0.000 0.756 257 A CB -0.107 18.810 19.000 -0.139 0.000 0.813 257 A HN 0.241 nan 8.150 nan 0.000 0.471 258 M N 1.709 120.981 119.600 -0.546 0.000 2.338 258 M HA 0.084 4.564 4.480 -0.001 0.000 0.360 258 M C -1.227 174.643 176.300 -0.717 0.000 1.547 258 M CA -1.933 52.879 55.300 -0.814 0.000 1.001 258 M CB 0.532 32.231 32.600 -1.503 0.000 2.008 258 M HN 0.019 nan 8.290 nan 0.000 0.464 259 P HA -0.231 nan 4.420 nan 0.000 0.215 259 P C 1.181 178.354 177.300 -0.212 0.000 1.157 259 P CA 1.976 64.913 63.100 -0.271 0.000 0.874 259 P CB -0.508 31.119 31.700 -0.122 0.000 0.790 260 F N -0.780 119.117 119.950 -0.088 0.000 2.293 260 F HA -0.025 4.501 4.527 -0.001 0.000 0.300 260 F C 1.934 177.695 175.800 -0.066 0.000 1.086 260 F CA 0.424 58.400 58.000 -0.040 0.000 1.375 260 F CB -2.128 36.881 39.000 0.015 0.000 1.045 260 F HN -0.293 nan 8.300 nan 0.000 0.516 261 V N 1.187 120.860 119.914 -0.402 0.000 2.283 261 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 261 V C 2.626 178.643 176.094 -0.127 0.000 1.039 261 V CA 2.072 64.216 62.300 -0.261 0.000 1.016 261 V CB -0.700 30.677 31.823 -0.743 0.000 0.650 261 V HN 0.231 nan 8.190 nan 0.000 0.449 262 R N 0.453 120.832 120.500 -0.201 0.000 2.120 262 R HA -0.071 4.269 4.340 -0.001 0.000 0.234 262 R C 2.144 178.422 176.300 -0.037 0.000 1.123 262 R CA 1.368 57.404 56.100 -0.108 0.000 0.975 262 R CB -0.537 29.687 30.300 -0.128 0.000 0.866 262 R HN 0.527 nan 8.270 nan 0.000 0.446 263 A N 0.060 122.873 122.820 -0.012 0.000 2.206 263 A HA 0.189 4.509 4.320 -0.001 0.000 0.211 263 A C 1.367 178.987 177.584 0.060 0.000 1.158 263 A CA 0.710 52.766 52.037 0.032 0.000 0.761 263 A CB -0.285 18.750 19.000 0.059 0.000 0.801 263 A HN 0.418 nan 8.150 nan 0.000 0.473 264 G N -0.762 108.085 108.800 0.078 0.000 2.198 264 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.257 264 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.257 264 G C 0.629 175.605 174.900 0.127 0.000 1.042 264 G CA 0.376 45.536 45.100 0.101 0.000 0.791 264 G HN 0.405 nan 8.290 nan 0.000 0.502 265 R N -1.159 119.452 120.500 0.185 0.000 2.397 265 R HA 0.253 4.593 4.340 -0.001 0.000 0.241 265 R C 0.467 176.896 176.300 0.216 0.000 0.914 265 R CA -0.369 55.833 56.100 0.169 0.000 1.071 265 R CB 0.203 30.605 30.300 0.169 0.000 1.116 265 R HN 0.450 nan 8.270 nan 0.000 0.524 266 F N 1.863 121.911 119.950 0.164 0.000 2.394 266 F HA 0.301 4.827 4.527 -0.001 0.000 0.340 266 F C -0.351 175.523 175.800 0.122 0.000 1.105 266 F CA -0.344 57.769 58.000 0.188 0.000 1.124 266 F CB 0.948 40.173 39.000 0.376 0.000 1.145 266 F HN -0.168 nan 8.300 nan 0.000 0.505 267 Q N 5.674 124.953 119.800 -0.868 0.000 2.289 267 Q HA 0.372 4.712 4.340 -0.001 0.000 0.270 267 Q C -0.997 174.514 176.000 -0.815 0.000 1.038 267 Q CA -0.990 54.423 55.803 -0.649 0.000 0.812 267 Q CB 2.579 31.127 28.738 -0.316 0.000 1.300 267 Q HN 0.623 nan 8.270 nan 0.000 0.427 268 R N 1.153 121.340 120.500 -0.522 0.000 2.349 268 R HA 0.551 4.891 4.340 -0.001 0.000 0.299 268 R C -0.170 176.008 176.300 -0.203 0.000 1.027 268 R CA -0.305 55.603 56.100 -0.320 0.000 0.958 268 R CB 1.176 31.398 30.300 -0.130 0.000 1.047 268 R HN 0.470 nan 8.270 nan 0.000 0.468 269 V N 0.371 120.192 119.914 -0.156 0.000 3.130 269 V HA 0.605 4.725 4.120 -0.001 0.000 0.310 269 V C -2.702 173.417 176.094 0.042 0.000 1.158 269 V CA -3.034 59.225 62.300 -0.069 0.000 1.029 269 V CB 2.087 33.851 31.823 -0.097 0.000 1.057 269 V HN 0.539 nan 8.190 nan 0.000 0.436 270 P HA 0.301 nan 4.420 nan 0.000 0.269 270 P C -0.226 177.184 177.300 0.183 0.000 1.217 270 P CA 0.414 63.574 63.100 0.100 0.000 0.783 270 P CB 0.257 32.019 31.700 0.103 0.000 0.898 271 A N 1.703 124.603 122.820 0.132 0.000 2.498 271 A HA 0.380 4.700 4.320 -0.001 0.000 0.239 271 A C -0.334 177.275 177.584 0.041 0.000 1.068 271 A CA 0.311 52.423 52.037 0.126 0.000 0.766 271 A CB -0.302 18.702 19.000 0.007 0.000 1.003 271 A HN 0.358 nan 8.150 nan 0.000 0.497 272 V N 2.845 122.684 119.914 -0.125 0.000 2.668 272 V HA 0.223 4.342 4.120 -0.001 0.000 0.304 272 V C -0.440 175.532 176.094 -0.203 0.000 1.071 272 V CA -0.672 61.498 62.300 -0.216 0.000 0.894 272 V CB 1.820 33.411 31.823 -0.386 0.000 1.008 272 V HN 1.020 nan 8.190 nan 0.000 0.425 273 W N 5.869 126.968 121.300 -0.335 0.000 2.368 273 W HA 0.233 4.893 4.660 0.000 0.000 0.316 273 W C 0.385 176.548 176.519 -0.593 0.000 1.375 273 W CA -0.603 56.402 57.345 -0.567 0.000 1.261 273 W CB 0.918 30.177 29.460 -0.335 0.000 1.298 273 W HN 0.825 nan 8.180 nan 0.000 0.539 274 F N 3.197 122.521 119.950 -1.043 0.000 2.789 274 F HA 0.090 4.617 4.527 -0.001 0.000 0.300 274 F C 0.476 175.510 175.800 -1.278 0.000 1.132 274 F CA -0.036 57.195 58.000 -1.282 0.000 1.404 274 F CB -0.769 37.377 39.000 -1.423 0.000 1.114 274 F HN 0.288 nan 8.300 nan 0.000 0.584 275 Y N 0.757 120.119 120.300 -1.563 0.000 2.720 275 Y HA 0.512 5.061 4.550 -0.001 0.000 0.268 275 Y C 1.425 176.975 175.900 -0.583 0.000 1.142 275 Y CA -0.904 56.411 58.100 -1.307 0.000 1.193 275 Y CB 0.169 37.824 38.460 -1.342 0.000 1.176 275 Y HN 0.098 nan 8.280 nan 0.000 0.542 276 G N 0.442 109.148 108.800 -0.157 0.000 2.773 276 G HA2 0.684 4.644 3.960 -0.001 0.000 0.186 276 G HA3 0.684 4.644 3.960 -0.001 0.000 0.186 276 G C -0.076 174.990 174.900 0.276 0.000 1.411 276 G CA 0.217 45.483 45.100 0.277 0.000 1.054 276 G HN 0.296 nan 8.290 nan 0.000 0.579 277 A N -2.215 120.715 122.820 0.184 0.000 3.891 277 A HA 0.602 4.922 4.320 -0.001 0.000 0.173 277 A C 1.917 179.522 177.584 0.035 0.000 0.735 277 A CA 1.167 53.253 52.037 0.081 0.000 0.892 277 A CB -0.394 18.634 19.000 0.048 0.000 1.601 277 A HN 1.080 nan 8.150 nan 0.000 0.796 278 T N -0.599 113.929 114.554 -0.042 0.000 2.788 278 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 278 T C 1.756 176.582 174.700 0.210 0.000 1.044 278 T CA 1.829 63.868 62.100 -0.100 0.000 1.139 278 T CB -0.656 68.094 68.868 -0.196 0.000 0.867 278 T HN 0.327 nan 8.240 nan 0.000 0.454 279 L N 0.828 122.178 121.223 0.211 0.000 2.056 279 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 279 L C 3.145 180.174 176.870 0.265 0.000 1.078 279 L CA 1.221 56.205 54.840 0.239 0.000 0.749 279 L CB -0.690 41.463 42.059 0.157 0.000 0.901 279 L HN 0.302 nan 8.230 nan 0.000 0.433 280 S N -0.051 115.795 115.700 0.244 0.000 2.383 280 S HA -0.114 4.355 4.470 -0.001 0.000 0.227 280 S C 2.175 176.983 174.600 0.347 0.000 1.026 280 S CA 1.121 59.487 58.200 0.277 0.000 0.981 280 S CB -0.159 63.158 63.200 0.197 0.000 0.818 280 S HN 0.484 nan 8.310 nan 0.000 0.472 281 A N 1.419 124.440 122.820 0.335 0.000 1.930 281 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 281 A C 2.105 180.033 177.584 0.573 0.000 1.175 281 A CA 1.259 53.568 52.037 0.452 0.000 0.627 281 A CB -0.526 18.737 19.000 0.438 0.000 0.815 281 A HN 0.475 nan 8.150 nan 0.000 0.443 282 M N -1.836 118.094 119.600 0.549 0.000 2.254 282 M HA -0.096 4.384 4.480 -0.001 0.000 0.265 282 M C 2.226 178.827 176.300 0.502 0.000 1.066 282 M CA 1.567 57.194 55.300 0.546 0.000 1.123 282 M CB -0.442 32.361 32.600 0.338 0.000 1.388 282 M HN 0.636 nan 8.290 nan 0.000 0.425 283 H N 0.397 119.647 119.070 0.299 0.000 2.357 283 H HA -0.164 4.392 4.556 -0.001 0.000 0.301 283 H C 1.747 177.256 175.328 0.302 0.000 1.082 283 H CA 1.666 57.855 56.048 0.236 0.000 1.342 283 H CB -0.495 29.372 29.762 0.175 0.000 1.389 283 H HN 0.394 nan 8.280 nan 0.000 0.511 284 F N 0.203 120.286 119.950 0.221 0.000 2.095 284 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 284 F C 2.287 178.212 175.800 0.208 0.000 1.104 284 F CA 1.636 59.731 58.000 0.157 0.000 1.232 284 F CB -0.458 38.724 39.000 0.303 0.000 0.987 284 F HN 0.021 nan 8.300 nan 0.000 0.475 285 V N 1.202 121.198 119.914 0.137 0.000 2.332 285 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 285 V C 2.454 178.633 176.094 0.142 0.000 1.055 285 V CA 2.266 64.615 62.300 0.082 0.000 1.038 285 V CB -0.749 31.249 31.823 0.292 0.000 0.651 285 V HN 0.333 nan 8.190 nan 0.000 0.450 286 R N -0.570 120.094 120.500 0.274 0.000 2.073 286 R HA -0.110 4.230 4.340 -0.001 0.000 0.234 286 R C 2.277 178.645 176.300 0.112 0.000 1.134 286 R CA 1.458 57.707 56.100 0.248 0.000 0.952 286 R CB -0.598 29.886 30.300 0.306 0.000 0.850 286 R HN 0.398 nan 8.270 nan 0.000 0.433 287 V N 1.771 121.717 119.914 0.053 0.000 2.343 287 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 287 V C 2.386 178.436 176.094 -0.074 0.000 1.051 287 V CA 1.486 63.780 62.300 -0.010 0.000 1.036 287 V CB -0.458 31.349 31.823 -0.027 0.000 0.654 287 V HN 0.343 nan 8.190 nan 0.000 0.451 288 L N 0.113 121.209 121.223 -0.211 0.000 1.989 288 L HA -0.231 4.109 4.340 -0.001 0.000 0.211 288 L C 2.464 179.371 176.870 0.063 0.000 1.071 288 L CA 2.628 57.338 54.840 -0.216 0.000 0.749 288 L CB -0.571 41.180 42.059 -0.513 0.000 0.890 288 L HN 0.452 nan 8.230 nan 0.000 0.431 289 D N -0.001 120.475 120.400 0.128 0.000 2.116 289 D HA -0.235 4.405 4.640 -0.001 0.000 0.193 289 D C 1.806 178.071 176.300 -0.058 0.000 0.998 289 D CA 1.476 55.479 54.000 0.004 0.000 0.836 289 D CB -0.069 40.707 40.800 -0.040 0.000 0.951 289 D HN 0.244 nan 8.370 nan 0.000 0.449 290 N N -0.078 118.609 118.700 -0.022 0.000 2.223 290 N HA -0.100 4.640 4.740 -0.001 0.000 0.185 290 N C 1.579 177.065 175.510 -0.040 0.000 1.016 290 N CA 1.322 54.354 53.050 -0.030 0.000 0.863 290 N CB -0.390 38.094 38.487 -0.005 0.000 0.983 290 N HN 0.318 nan 8.380 nan 0.000 0.429 291 A N 1.070 123.867 122.820 -0.038 0.000 1.874 291 A HA 0.137 4.456 4.320 -0.001 0.000 0.214 291 A C 1.352 178.916 177.584 -0.034 0.000 1.189 291 A CA 0.706 52.713 52.037 -0.050 0.000 0.615 291 A CB -0.196 18.757 19.000 -0.078 0.000 0.830 291 A HN 0.356 nan 8.150 nan 0.000 0.443 292 I N 0.000 120.571 120.570 0.002 0.000 2.984 292 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 292 I CA 0.000 61.313 61.300 0.022 0.000 1.566 292 I CB 0.000 38.048 38.000 0.080 0.000 1.214 292 I HN 0.000 nan 8.210 nan 0.000 0.494