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 1imv_1_A DATA FIRST_RESID 16 DATA SEQUENCE TGALVEEEDP FFKVPVNKLA AAVSNFGYDL YRVRSSMSPT TNVLLSPLSV DATA SEQUENCE ATALSALSLG ADERTESIIH RALYYDLISS PDIHGTYKEL LDTVTAPQKN DATA SEQUENCE LKSASRIVFE KKLRIKSSFV APLEKSYGTR PRVLTGNPRL DLQEINNWVQ DATA SEQUENCE AQMKGKLARS TKEIPDEISI LLLGVAHFKG QWVTKFDSRK TSLEDFYLDE DATA SEQUENCE ERTVRVPMMS DPKAVLRYGL DSDLSCKIAQ LPLTGSMSII FFLPLKVTQN DATA SEQUENCE LTLIEESLTS EFIHDIDREL KTVQAVLTVP KLKLSYEGEV TKSLQEMKLQ DATA SEQUENCE SLFDSPDFSK ITGKPIKLTQ VEHRAGFEWN EDGAGTTXXX XXXXXHLTFP DATA SEQUENCE LDYHLNQPFI FVLRDTDTGA LLFIGKILDP RGP 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.724 174.700 0.040 0.000 1.109 16 T CA 0.000 62.122 62.100 0.037 0.000 1.349 16 T CB 0.000 68.889 68.868 0.034 0.000 0.612 17 G N 0.399 109.226 108.800 0.046 0.000 2.229 17 G HA2 0.451 4.414 3.960 0.004 0.000 0.189 17 G HA3 0.451 4.414 3.960 0.004 0.000 0.189 17 G C 0.507 175.435 174.900 0.047 0.000 1.000 17 G CA 0.904 46.036 45.100 0.052 0.000 0.663 17 G HN 1.859 nan 8.290 nan 0.000 0.493 18 A N 0.081 122.925 122.820 0.040 0.000 2.271 18 A HA 0.817 5.140 4.320 0.004 0.000 0.288 18 A C -0.016 177.591 177.584 0.038 0.000 1.094 18 A CA -0.395 51.663 52.037 0.036 0.000 0.828 18 A CB 0.678 19.696 19.000 0.030 0.000 1.091 18 A HN 0.750 nan 8.150 nan 0.000 0.493 19 L N 1.456 122.700 121.223 0.035 0.000 2.315 19 L HA 0.446 4.789 4.340 0.004 0.000 0.283 19 L C 0.310 177.198 176.870 0.030 0.000 1.089 19 L CA 0.581 55.441 54.840 0.034 0.000 0.833 19 L CB 0.522 42.600 42.059 0.032 0.000 1.170 19 L HN 0.626 nan 8.230 nan 0.000 0.442 20 V N -0.052 119.881 119.914 0.031 0.000 3.182 20 V HA 0.680 4.803 4.120 0.004 0.000 0.308 20 V C -0.421 175.691 176.094 0.031 0.000 1.240 20 V CA -1.090 61.228 62.300 0.030 0.000 1.063 20 V CB 2.050 33.892 31.823 0.033 0.000 1.076 20 V HN 0.476 nan 8.190 nan 0.000 0.446 21 E N 1.180 121.398 120.200 0.030 0.000 2.331 21 E HA 0.358 4.711 4.350 0.004 0.000 0.272 21 E C -0.347 176.278 176.600 0.042 0.000 1.036 21 E CA -0.384 56.035 56.400 0.031 0.000 0.864 21 E CB 1.053 30.768 29.700 0.026 0.000 1.035 21 E HN 0.668 nan 8.360 nan 0.000 0.408 22 E N 2.010 122.239 120.200 0.047 0.000 2.398 22 E HA -0.042 4.310 4.350 0.004 0.000 0.263 22 E C 0.524 177.164 176.600 0.067 0.000 1.046 22 E CA 0.257 56.700 56.400 0.072 0.000 0.908 22 E CB 0.765 30.516 29.700 0.086 0.000 0.963 22 E HN 0.380 nan 8.360 nan 0.000 0.431 23 E N 1.158 121.409 120.200 0.085 0.000 2.280 23 E HA -0.006 4.346 4.350 0.004 0.000 0.197 23 E C -0.084 176.555 176.600 0.066 0.000 0.913 23 E CA 0.090 56.531 56.400 0.068 0.000 0.995 23 E CB -0.261 29.480 29.700 0.068 0.000 0.991 23 E HN 0.485 nan 8.360 nan 0.000 0.484 24 D N 2.892 123.344 120.400 0.088 0.000 2.451 24 D HA -0.022 4.621 4.640 0.004 0.000 0.254 24 D C -1.751 174.547 176.300 -0.002 0.000 1.204 24 D CA -1.100 52.924 54.000 0.041 0.000 0.896 24 D CB 1.327 42.123 40.800 -0.008 0.000 1.136 24 D HN -0.177 nan 8.370 nan 0.000 0.499 25 P HA -0.140 nan 4.420 nan 0.000 0.220 25 P C 0.785 178.075 177.300 -0.017 0.000 1.144 25 P CA 0.602 63.707 63.100 0.009 0.000 0.800 25 P CB 0.068 31.784 31.700 0.028 0.000 0.772 26 F N -0.944 118.819 119.950 -0.311 0.000 2.146 26 F HA -0.050 4.479 4.527 0.004 0.000 0.298 26 F C 1.778 177.350 175.800 -0.380 0.000 1.096 26 F CA 1.415 59.137 58.000 -0.463 0.000 1.275 26 F CB -0.648 37.799 39.000 -0.923 0.000 1.008 26 F HN -0.156 nan 8.300 nan 0.000 0.480 27 F N -0.384 119.498 119.950 -0.113 0.000 2.789 27 F HA 0.069 4.598 4.527 0.004 0.000 0.300 27 F C 2.099 177.827 175.800 -0.119 0.000 1.132 27 F CA -0.009 57.897 58.000 -0.156 0.000 1.404 27 F CB -0.240 38.714 39.000 -0.075 0.000 1.114 27 F HN -0.146 nan 8.300 nan 0.000 0.584 28 K N 0.794 121.219 120.400 0.041 0.000 2.288 28 K HA -0.013 4.309 4.320 0.004 0.000 0.201 28 K C 0.437 177.023 176.600 -0.023 0.000 1.048 28 K CA 0.283 56.582 56.287 0.019 0.000 0.956 28 K CB 0.123 32.630 32.500 0.011 0.000 0.746 28 K HN -0.026 nan 8.250 nan 0.000 0.461 29 V N 3.789 123.660 119.914 -0.072 0.000 2.521 29 V HA 0.001 4.124 4.120 0.004 0.000 0.286 29 V C -1.309 174.732 176.094 -0.089 0.000 1.034 29 V CA -1.153 61.090 62.300 -0.096 0.000 1.045 29 V CB 0.991 32.716 31.823 -0.164 0.000 0.974 29 V HN 0.293 nan 8.190 nan 0.000 0.480 30 P HA -0.214 nan 4.420 nan 0.000 0.215 30 P C 1.772 179.011 177.300 -0.101 0.000 1.163 30 P CA 1.565 64.618 63.100 -0.078 0.000 0.894 30 P CB 0.289 31.947 31.700 -0.069 0.000 0.791 31 V N 0.500 120.350 119.914 -0.108 0.000 2.392 31 V HA -0.239 3.884 4.120 0.004 0.000 0.249 31 V C 2.182 178.196 176.094 -0.135 0.000 1.059 31 V CA 2.214 64.441 62.300 -0.122 0.000 1.051 31 V CB -1.405 30.355 31.823 -0.105 0.000 0.658 31 V HN 0.106 nan 8.190 nan 0.000 0.455 32 N N -0.436 118.167 118.700 -0.163 0.000 2.216 32 N HA -0.183 4.560 4.740 0.004 0.000 0.183 32 N C 1.855 177.334 175.510 -0.053 0.000 1.017 32 N CA 1.084 54.021 53.050 -0.188 0.000 0.861 32 N CB -0.165 38.042 38.487 -0.467 0.000 0.986 32 N HN 0.307 nan 8.380 nan 0.000 0.428 33 K N 1.719 122.090 120.400 -0.050 0.000 2.057 33 K HA -0.080 4.242 4.320 0.004 0.000 0.207 33 K C 1.830 178.376 176.600 -0.090 0.000 1.049 33 K CA 0.838 57.093 56.287 -0.053 0.000 0.931 33 K CB -0.518 31.955 32.500 -0.044 0.000 0.714 33 K HN 0.049 nan 8.250 nan 0.000 0.440 34 L N 0.222 121.381 121.223 -0.106 0.000 2.093 34 L HA 0.070 4.413 4.340 0.004 0.000 0.208 34 L C 2.010 178.822 176.870 -0.097 0.000 1.085 34 L CA 2.043 56.808 54.840 -0.125 0.000 0.755 34 L CB -0.923 41.011 42.059 -0.207 0.000 0.904 34 L HN 0.205 nan 8.230 nan 0.000 0.435 35 A N -0.542 122.218 122.820 -0.101 0.000 1.969 35 A HA -0.046 4.277 4.320 0.004 0.000 0.218 35 A C 2.431 180.008 177.584 -0.011 0.000 1.169 35 A CA 1.523 53.523 52.037 -0.062 0.000 0.635 35 A CB -1.002 17.977 19.000 -0.034 0.000 0.810 35 A HN 0.550 nan 8.150 nan 0.000 0.445 36 A N -0.152 122.641 122.820 -0.045 0.000 1.930 36 A HA 0.216 4.538 4.320 0.004 0.000 0.217 36 A C 2.457 179.985 177.584 -0.093 0.000 1.175 36 A CA 1.889 53.858 52.037 -0.114 0.000 0.627 36 A CB -0.875 17.854 19.000 -0.453 0.000 0.815 36 A HN 0.916 nan 8.150 nan 0.000 0.443 37 A N -0.431 122.371 122.820 -0.030 0.000 1.832 37 A HA 0.003 4.325 4.320 0.004 0.000 0.214 37 A C 2.192 179.888 177.584 0.186 0.000 1.200 37 A CA 1.751 53.847 52.037 0.099 0.000 0.610 37 A CB -1.158 17.997 19.000 0.260 0.000 0.842 37 A HN 0.413 nan 8.150 nan 0.000 0.444 38 V N 0.252 120.274 119.914 0.179 0.000 2.324 38 V HA -0.260 3.863 4.120 0.004 0.000 0.250 38 V C 2.796 178.995 176.094 0.174 0.000 1.060 38 V CA 2.442 64.858 62.300 0.194 0.000 1.042 38 V CB -0.874 31.016 31.823 0.111 0.000 0.650 38 V HN 0.560 nan 8.190 nan 0.000 0.450 39 S N 0.019 115.757 115.700 0.063 0.000 2.383 39 S HA -0.153 4.320 4.470 0.004 0.000 0.227 39 S C 1.877 176.446 174.600 -0.053 0.000 1.026 39 S CA 1.122 59.294 58.200 -0.046 0.000 0.981 39 S CB -0.429 62.781 63.200 0.016 0.000 0.818 39 S HN 0.603 nan 8.310 nan 0.000 0.472 40 N N 0.793 119.535 118.700 0.069 0.000 2.309 40 N HA -0.034 4.709 4.740 0.004 0.000 0.182 40 N C 1.369 176.975 175.510 0.160 0.000 1.018 40 N CA 0.684 53.766 53.050 0.053 0.000 0.876 40 N CB -0.302 37.877 38.487 -0.512 0.000 0.972 40 N HN 0.453 nan 8.380 nan 0.000 0.434 41 F N 1.300 121.329 119.950 0.132 0.000 2.163 41 F HA 0.079 4.608 4.527 0.004 0.000 0.297 41 F C 2.174 177.992 175.800 0.029 0.000 1.094 41 F CA 1.343 59.448 58.000 0.174 0.000 1.290 41 F CB -0.673 38.396 39.000 0.116 0.000 1.017 41 F HN -0.076 nan 8.300 nan 0.000 0.483 42 G N -0.462 108.218 108.800 -0.199 0.000 2.446 42 G HA2 -0.320 3.642 3.960 0.004 0.000 0.217 42 G HA3 -0.320 3.642 3.960 0.004 0.000 0.217 42 G C 1.415 176.073 174.900 -0.404 0.000 1.168 42 G CA 1.202 46.053 45.100 -0.416 0.000 0.771 42 G HN 0.449 nan 8.290 nan 0.000 0.551 43 Y N 1.527 121.754 120.300 -0.122 0.000 2.181 43 Y HA -0.064 4.489 4.550 0.005 0.000 0.288 43 Y C 2.698 178.559 175.900 -0.065 0.000 1.146 43 Y CA 1.114 59.168 58.100 -0.076 0.000 1.164 43 Y CB -0.329 38.083 38.460 -0.079 0.000 0.982 43 Y HN 0.155 nan 8.280 nan 0.000 0.515 44 D N -0.251 120.163 120.400 0.022 0.000 2.097 44 D HA -0.164 4.479 4.640 0.004 0.000 0.195 44 D C 2.253 178.462 176.300 -0.152 0.000 0.989 44 D CA 1.042 55.021 54.000 -0.035 0.000 0.827 44 D CB -0.625 40.173 40.800 -0.002 0.000 0.966 44 D HN 0.232 nan 8.370 nan 0.000 0.456 45 L N 0.169 121.190 121.223 -0.335 0.000 2.012 45 L HA -0.202 4.140 4.340 0.004 0.000 0.210 45 L C 2.312 179.057 176.870 -0.208 0.000 1.073 45 L CA 1.551 56.185 54.840 -0.344 0.000 0.748 45 L CB -0.960 40.777 42.059 -0.537 0.000 0.891 45 L HN 0.060 nan 8.230 nan 0.000 0.431 46 Y N 0.342 120.492 120.300 -0.250 0.000 2.128 46 Y HA -0.287 4.265 4.550 0.004 0.000 0.284 46 Y C 2.727 178.540 175.900 -0.145 0.000 1.154 46 Y CA 2.084 60.068 58.100 -0.194 0.000 1.149 46 Y CB -0.304 38.055 38.460 -0.168 0.000 0.976 46 Y HN 0.133 nan 8.280 nan 0.000 0.505 47 R N -0.586 119.783 120.500 -0.218 0.000 2.105 47 R HA -0.147 4.196 4.340 0.004 0.000 0.239 47 R C 2.194 178.327 176.300 -0.278 0.000 1.135 47 R CA 1.669 57.606 56.100 -0.272 0.000 0.967 47 R CB -0.553 29.701 30.300 -0.077 0.000 0.861 47 R HN 0.311 nan 8.270 nan 0.000 0.442 48 V N 0.443 120.229 119.914 -0.213 0.000 2.358 48 V HA -0.229 3.894 4.120 0.004 0.000 0.246 48 V C 2.368 178.339 176.094 -0.205 0.000 1.047 48 V CA 1.798 63.993 62.300 -0.175 0.000 1.035 48 V CB -0.463 31.279 31.823 -0.135 0.000 0.658 48 V HN 0.291 nan 8.190 nan 0.000 0.452 49 R N -0.133 120.213 120.500 -0.256 0.000 2.090 49 R HA -0.124 4.218 4.340 0.004 0.000 0.228 49 R C 2.581 178.699 176.300 -0.304 0.000 1.110 49 R CA 1.530 57.481 56.100 -0.248 0.000 0.973 49 R CB -0.407 29.746 30.300 -0.243 0.000 0.869 49 R HN 0.446 nan 8.270 nan 0.000 0.440 50 S N -0.594 114.812 115.700 -0.491 0.000 2.382 50 S HA -0.133 4.339 4.470 0.004 0.000 0.228 50 S C 1.920 176.359 174.600 -0.269 0.000 1.027 50 S CA 1.692 59.609 58.200 -0.471 0.000 0.991 50 S CB -0.306 62.423 63.200 -0.785 0.000 0.823 50 S HN 0.453 nan 8.310 nan 0.000 0.469 51 S N 0.089 115.645 115.700 -0.241 0.000 2.423 51 S HA 0.053 4.526 4.470 0.004 0.000 0.231 51 S C 1.808 176.337 174.600 -0.117 0.000 1.014 51 S CA 1.139 59.246 58.200 -0.154 0.000 0.965 51 S CB -0.324 62.794 63.200 -0.136 0.000 0.785 51 S HN 0.627 nan 8.310 nan 0.000 0.495 52 M N 0.053 119.578 119.600 -0.125 0.000 2.435 52 M HA 0.153 4.636 4.480 0.004 0.000 0.265 52 M C 0.971 177.226 176.300 -0.074 0.000 1.104 52 M CA 0.427 55.675 55.300 -0.088 0.000 1.140 52 M CB 0.140 32.691 32.600 -0.082 0.000 1.372 52 M HN 0.214 nan 8.290 nan 0.000 0.456 53 S N 1.533 117.176 115.700 -0.095 0.000 2.468 53 S HA 0.257 4.729 4.470 0.004 0.000 0.190 53 S C -1.643 172.916 174.600 -0.067 0.000 1.445 53 S CA -1.745 56.413 58.200 -0.070 0.000 1.084 53 S CB 0.344 63.498 63.200 -0.077 0.000 1.175 53 S HN 0.085 nan 8.310 nan 0.000 0.484 54 P HA -0.001 nan 4.420 nan 0.000 0.223 54 P C 0.786 178.077 177.300 -0.015 0.000 1.151 54 P CA 0.907 63.984 63.100 -0.038 0.000 0.787 54 P CB -0.084 31.597 31.700 -0.031 0.000 0.788 55 T N -5.417 109.132 114.554 -0.008 0.000 3.170 55 T HA 0.251 4.604 4.350 0.004 0.000 0.288 55 T C 0.324 175.031 174.700 0.011 0.000 0.992 55 T CA -0.251 61.854 62.100 0.008 0.000 0.909 55 T CB -0.260 68.615 68.868 0.012 0.000 1.133 55 T HN -0.124 nan 8.240 nan 0.000 0.530 56 T N 2.511 117.065 114.554 0.000 0.000 2.906 56 T HA 0.479 4.832 4.350 0.004 0.000 0.295 56 T C -0.473 174.223 174.700 -0.006 0.000 1.075 56 T CA -0.871 61.231 62.100 0.004 0.000 1.005 56 T CB 1.500 70.374 68.868 0.010 0.000 1.136 56 T HN 0.122 nan 8.240 nan 0.000 0.498 57 N N 0.874 119.573 118.700 -0.001 0.000 2.416 57 N HA 0.246 4.989 4.740 0.004 0.000 0.246 57 N C -0.800 174.696 175.510 -0.023 0.000 1.260 57 N CA -0.034 53.012 53.050 -0.007 0.000 0.897 57 N CB 0.623 39.110 38.487 -0.001 0.000 1.110 57 N HN 0.256 nan 8.380 nan 0.000 0.439 58 V N 2.511 122.411 119.914 -0.023 0.000 2.376 58 V HA 0.265 4.388 4.120 0.004 0.000 0.287 58 V C -0.359 175.706 176.094 -0.048 0.000 1.015 58 V CA -0.746 61.511 62.300 -0.073 0.000 0.834 58 V CB 1.426 33.218 31.823 -0.051 0.000 1.001 58 V HN 0.407 nan 8.190 nan 0.000 0.428 59 L N 6.291 127.461 121.223 -0.088 0.000 2.296 59 L HA 0.820 5.162 4.340 0.004 0.000 0.286 59 L C -1.067 175.808 176.870 0.009 0.000 1.023 59 L CA -0.162 54.698 54.840 0.033 0.000 0.812 59 L CB 1.443 43.612 42.059 0.184 0.000 1.223 59 L HN 0.590 nan 8.230 nan 0.000 0.421 60 L N 3.366 124.613 121.223 0.040 0.000 2.482 60 L HA 0.557 4.899 4.340 0.004 0.000 0.263 60 L C -0.577 176.158 176.870 -0.224 0.000 0.957 60 L CA 0.089 54.921 54.840 -0.013 0.000 0.836 60 L CB 2.425 44.420 42.059 -0.106 0.000 1.324 60 L HN 0.564 nan 8.230 nan 0.000 0.406 61 S N 4.224 119.783 115.700 -0.234 0.000 2.128 61 S HA 0.426 4.899 4.470 0.004 0.000 0.157 61 S C -1.988 172.433 174.600 -0.299 0.000 1.650 61 S CA -1.126 56.724 58.200 -0.583 0.000 1.269 61 S CB 0.357 62.946 63.200 -1.019 0.000 1.227 61 S HN 0.485 nan 8.310 nan 0.000 0.405 62 P HA -0.191 nan 4.420 nan 0.000 0.219 62 P C 1.566 178.863 177.300 -0.005 0.000 1.153 62 P CA 0.710 63.700 63.100 -0.183 0.000 0.865 62 P CB 0.117 31.691 31.700 -0.209 0.000 0.788 63 L N 0.186 121.402 121.223 -0.011 0.000 2.021 63 L HA -0.255 4.088 4.340 0.004 0.000 0.215 63 L C 2.286 179.244 176.870 0.146 0.000 1.074 63 L CA 2.677 57.571 54.840 0.090 0.000 0.760 63 L CB -1.620 40.478 42.059 0.064 0.000 0.889 63 L HN 0.058 nan 8.230 nan 0.000 0.433 64 S N -2.249 113.524 115.700 0.120 0.000 2.399 64 S HA -0.144 4.329 4.470 0.004 0.000 0.231 64 S C 1.867 176.553 174.600 0.143 0.000 1.022 64 S CA 1.362 59.662 58.200 0.168 0.000 0.983 64 S CB -1.073 62.261 63.200 0.223 0.000 0.803 64 S HN 0.279 nan 8.310 nan 0.000 0.480 65 V N 1.994 121.969 119.914 0.101 0.000 2.535 65 V HA 0.100 4.223 4.120 0.004 0.000 0.246 65 V C 3.059 179.212 176.094 0.099 0.000 1.045 65 V CA 1.212 63.572 62.300 0.100 0.000 1.058 65 V CB -1.254 30.613 31.823 0.074 0.000 0.689 65 V HN 0.630 nan 8.190 nan 0.000 0.461 66 A N -0.029 122.880 122.820 0.149 0.000 1.933 66 A HA -0.206 4.117 4.320 0.004 0.000 0.218 66 A C 2.382 179.971 177.584 0.009 0.000 1.175 66 A CA 2.436 54.448 52.037 -0.042 0.000 0.628 66 A CB -0.904 18.168 19.000 0.120 0.000 0.814 66 A HN 0.475 nan 8.150 nan 0.000 0.444 67 T N 0.205 114.839 114.554 0.135 0.000 2.788 67 T HA 0.001 4.354 4.350 0.004 0.000 0.268 67 T C 2.171 176.766 174.700 -0.176 0.000 1.044 67 T CA 1.439 63.558 62.100 0.032 0.000 1.139 67 T CB -0.356 68.623 68.868 0.184 0.000 0.867 67 T HN 0.586 nan 8.240 nan 0.000 0.454 68 A N 0.972 123.736 122.820 -0.094 0.000 1.930 68 A HA 0.082 4.404 4.320 0.004 0.000 0.217 68 A C 2.270 179.742 177.584 -0.187 0.000 1.175 68 A CA 1.002 52.952 52.037 -0.145 0.000 0.627 68 A CB -0.685 18.268 19.000 -0.077 0.000 0.815 68 A HN 0.460 nan 8.150 nan 0.000 0.443 69 L N -1.043 120.082 121.223 -0.163 0.000 2.056 69 L HA -0.122 4.221 4.340 0.004 0.000 0.207 69 L C 2.904 179.694 176.870 -0.135 0.000 1.078 69 L CA 1.485 56.230 54.840 -0.157 0.000 0.749 69 L CB -0.400 41.524 42.059 -0.225 0.000 0.901 69 L HN 0.474 nan 8.230 nan 0.000 0.433 70 S N -0.464 115.139 115.700 -0.162 0.000 2.383 70 S HA -0.143 4.330 4.470 0.004 0.000 0.227 70 S C 2.076 176.548 174.600 -0.213 0.000 1.026 70 S CA 1.153 59.329 58.200 -0.041 0.000 0.981 70 S CB -0.028 63.214 63.200 0.069 0.000 0.818 70 S HN 0.429 nan 8.310 nan 0.000 0.472 71 A N 1.426 123.846 122.820 -0.667 0.000 1.855 71 A HA 0.014 4.337 4.320 0.004 0.000 0.215 71 A C 2.113 179.577 177.584 -0.200 0.000 1.191 71 A CA 1.600 53.113 52.037 -0.874 0.000 0.613 71 A CB -1.049 17.440 19.000 -0.852 0.000 0.829 71 A HN 0.540 nan 8.150 nan 0.000 0.442 72 L N 1.165 122.323 121.223 -0.109 0.000 2.043 72 L HA -0.182 4.161 4.340 0.004 0.000 0.212 72 L C 2.659 179.609 176.870 0.132 0.000 1.075 72 L CA 2.715 57.556 54.840 0.003 0.000 0.752 72 L CB -0.659 41.324 42.059 -0.127 0.000 0.891 72 L HN 0.534 nan 8.230 nan 0.000 0.432 73 S N -1.569 114.226 115.700 0.157 0.000 2.571 73 S HA -0.178 4.294 4.470 0.004 0.000 0.245 73 S C 1.902 176.655 174.600 0.254 0.000 0.976 73 S CA 1.174 59.517 58.200 0.239 0.000 0.954 73 S CB -0.889 62.498 63.200 0.311 0.000 0.756 73 S HN 0.548 nan 8.310 nan 0.000 0.535 74 L N 0.575 121.947 121.223 0.249 0.000 2.095 74 L HA 0.134 4.476 4.340 0.004 0.000 0.204 74 L C 2.322 179.362 176.870 0.284 0.000 1.080 74 L CA 1.066 56.050 54.840 0.239 0.000 0.759 74 L CB -0.723 41.460 42.059 0.206 0.000 0.914 74 L HN 0.560 nan 8.230 nan 0.000 0.439 75 G N -0.324 108.612 108.800 0.226 0.000 3.678 75 G HA2 0.478 4.441 3.960 0.004 0.000 0.287 75 G HA3 0.478 4.441 3.960 0.004 0.000 0.287 75 G C 0.010 174.964 174.900 0.090 0.000 1.280 75 G CA 0.233 45.293 45.100 -0.067 0.000 1.118 75 G HN 0.273 nan 8.290 nan 0.000 0.563 76 A N -0.217 122.683 122.820 0.134 0.000 2.354 76 A HA 0.727 5.050 4.320 0.004 0.000 0.321 76 A C -1.125 176.414 177.584 -0.075 0.000 1.125 76 A CA -0.646 51.398 52.037 0.013 0.000 0.799 76 A CB 1.757 20.746 19.000 -0.018 0.000 1.293 76 A HN 0.228 nan 8.150 nan 0.000 0.452 77 D N -0.338 119.962 120.400 -0.168 0.000 2.268 77 D HA 0.381 5.024 4.640 0.004 0.000 0.249 77 D C 0.881 177.096 176.300 -0.141 0.000 1.008 77 D CA -0.246 53.679 54.000 -0.125 0.000 0.939 77 D CB 0.881 41.609 40.800 -0.120 0.000 1.170 77 D HN 0.489 nan 8.370 nan 0.000 0.468 78 E N 1.211 121.350 120.200 -0.102 0.000 2.517 78 E HA -0.431 3.921 4.350 0.004 0.000 0.251 78 E C 2.191 178.717 176.600 -0.123 0.000 0.990 78 E CA 2.529 58.870 56.400 -0.099 0.000 1.133 78 E CB -0.996 28.663 29.700 -0.069 0.000 1.088 78 E HN 0.588 nan 8.360 nan 0.000 0.516 79 R N 0.547 120.978 120.500 -0.115 0.000 2.113 79 R HA -0.185 4.157 4.340 0.004 0.000 0.244 79 R C 2.604 178.815 176.300 -0.148 0.000 1.142 79 R CA 2.698 58.729 56.100 -0.115 0.000 0.953 79 R CB -1.911 28.327 30.300 -0.104 0.000 0.860 79 R HN 0.449 nan 8.270 nan 0.000 0.438 80 T N -0.125 114.305 114.554 -0.207 0.000 2.812 80 T HA -0.112 4.241 4.350 0.004 0.000 0.264 80 T C 1.900 176.468 174.700 -0.220 0.000 1.042 80 T CA 1.200 63.140 62.100 -0.266 0.000 1.140 80 T CB -0.261 68.315 68.868 -0.487 0.000 0.870 80 T HN 0.739 nan 8.240 nan 0.000 0.445 81 E N 0.949 121.015 120.200 -0.223 0.000 2.070 81 E HA -0.172 4.181 4.350 0.004 0.000 0.197 81 E C 2.312 178.721 176.600 -0.320 0.000 1.004 81 E CA 1.493 57.736 56.400 -0.261 0.000 0.805 81 E CB -0.102 29.422 29.700 -0.294 0.000 0.744 81 E HN 0.332 nan 8.360 nan 0.000 0.451 82 S N 0.611 116.171 115.700 -0.233 0.000 2.359 82 S HA -0.176 4.297 4.470 0.004 0.000 0.224 82 S C 1.942 176.499 174.600 -0.071 0.000 1.035 82 S CA 1.189 59.311 58.200 -0.131 0.000 1.018 82 S CB -0.259 62.891 63.200 -0.084 0.000 0.876 82 S HN 0.306 nan 8.310 nan 0.000 0.448 83 I N 1.764 122.284 120.570 -0.084 0.000 2.145 83 I HA -0.223 3.949 4.170 0.004 0.000 0.244 83 I C 2.167 178.253 176.117 -0.051 0.000 1.075 83 I CA 1.555 62.819 61.300 -0.061 0.000 1.332 83 I CB -1.325 36.636 38.000 -0.065 0.000 1.033 83 I HN 0.305 nan 8.210 nan 0.000 0.410 84 I N -0.304 120.237 120.570 -0.049 0.000 2.163 84 I HA -0.309 3.863 4.170 0.004 0.000 0.240 84 I C 2.594 178.688 176.117 -0.038 0.000 1.081 84 I CA 1.295 62.573 61.300 -0.036 0.000 1.353 84 I CB -0.732 37.280 38.000 0.020 0.000 1.054 84 I HN 0.284 nan 8.210 nan 0.000 0.407 85 H N 0.115 119.109 119.070 -0.127 0.000 2.426 85 H HA -0.210 4.349 4.556 0.004 0.000 0.298 85 H C 2.381 177.589 175.328 -0.200 0.000 1.107 85 H CA 1.075 57.036 56.048 -0.144 0.000 1.298 85 H CB 0.010 29.819 29.762 0.078 0.000 1.377 85 H HN 0.243 nan 8.280 nan 0.000 0.519 86 R N 0.718 121.199 120.500 -0.031 0.000 2.148 86 R HA -0.014 4.329 4.340 0.004 0.000 0.223 86 R C 2.256 178.385 176.300 -0.284 0.000 1.088 86 R CA 0.814 56.839 56.100 -0.125 0.000 0.985 86 R CB 0.069 30.319 30.300 -0.083 0.000 0.880 86 R HN 0.219 nan 8.270 nan 0.000 0.451 87 A N -0.038 122.642 122.820 -0.233 0.000 2.119 87 A HA 0.019 4.342 4.320 0.004 0.000 0.216 87 A C 1.353 178.799 177.584 -0.230 0.000 1.152 87 A CA 0.578 52.495 52.037 -0.200 0.000 0.708 87 A CB 0.176 19.146 19.000 -0.050 0.000 0.805 87 A HN 0.222 nan 8.150 nan 0.000 0.460 88 L N -2.527 118.454 121.223 -0.404 0.000 2.640 88 L HA 0.297 4.640 4.340 0.004 0.000 0.230 88 L C -0.109 176.700 176.870 -0.101 0.000 1.123 88 L CA 0.216 54.788 54.840 -0.447 0.000 0.900 88 L CB -1.178 40.178 42.059 -1.171 0.000 1.146 88 L HN 0.488 nan 8.230 nan 0.000 0.484 89 Y N -3.584 116.669 120.300 -0.077 0.000 4.490 89 Y HA -0.372 4.180 4.550 0.004 0.000 0.233 89 Y C 1.398 177.398 175.900 0.167 0.000 1.101 89 Y CA 0.394 58.526 58.100 0.053 0.000 2.010 89 Y CB -2.565 35.935 38.460 0.067 0.000 1.622 89 Y HN 0.137 nan 8.280 nan 0.000 0.675 90 Y N 0.476 120.790 120.300 0.022 0.000 2.293 90 Y HA -0.145 4.408 4.550 0.004 0.000 0.291 90 Y C 2.183 178.081 175.900 -0.003 0.000 1.137 90 Y CA 1.333 59.405 58.100 -0.047 0.000 1.202 90 Y CB -0.603 37.719 38.460 -0.231 0.000 0.990 90 Y HN 0.497 nan 8.280 nan 0.000 0.537 91 D N -0.282 120.231 120.400 0.188 0.000 2.392 91 D HA -0.120 4.522 4.640 0.004 0.000 0.228 91 D C 0.986 177.346 176.300 0.101 0.000 1.003 91 D CA 0.703 54.780 54.000 0.127 0.000 0.917 91 D CB -0.609 40.244 40.800 0.088 0.000 0.890 91 D HN 0.342 nan 8.370 nan 0.000 0.532 92 L N -0.176 121.120 121.223 0.121 0.000 3.014 92 L HA 0.347 4.690 4.340 0.004 0.000 0.263 92 L C 0.182 177.092 176.870 0.066 0.000 1.207 92 L CA -0.195 54.703 54.840 0.098 0.000 1.017 92 L CB 0.509 42.648 42.059 0.134 0.000 1.360 92 L HN -0.120 nan 8.230 nan 0.000 0.560 93 I N 0.309 120.912 120.570 0.054 0.000 2.390 93 I HA 0.114 4.286 4.170 0.004 0.000 0.283 93 I C 0.468 176.583 176.117 -0.003 0.000 1.016 93 I CA -0.232 61.072 61.300 0.006 0.000 1.151 93 I CB 1.764 39.740 38.000 -0.040 0.000 1.293 93 I HN 0.057 nan 8.210 nan 0.000 0.458 94 S N 3.175 118.876 115.700 0.001 0.000 3.983 94 S HA 0.323 4.795 4.470 0.004 0.000 0.194 94 S C 0.036 174.629 174.600 -0.012 0.000 1.464 94 S CA -0.476 57.725 58.200 0.002 0.000 1.021 94 S CB -0.072 63.135 63.200 0.011 0.000 1.424 94 S HN 0.558 nan 8.310 nan 0.000 0.473 95 S N 1.438 117.120 115.700 -0.030 0.000 2.543 95 S HA 0.683 5.155 4.470 0.004 0.000 0.271 95 S C -2.776 171.790 174.600 -0.056 0.000 1.148 95 S CA -0.993 57.182 58.200 -0.042 0.000 0.914 95 S CB 0.941 64.108 63.200 -0.056 0.000 1.096 95 S HN 0.371 nan 8.310 nan 0.000 0.471 96 P HA 0.396 nan 4.420 nan 0.000 0.318 96 P C -0.724 176.547 177.300 -0.049 0.000 1.309 96 P CA -0.120 62.963 63.100 -0.028 0.000 0.736 96 P CB 0.120 31.818 31.700 -0.004 0.000 1.440 97 D N -1.224 119.166 120.400 -0.017 0.000 2.745 97 D HA -0.182 4.461 4.640 0.004 0.000 0.225 97 D C 0.721 176.977 176.300 -0.073 0.000 1.212 97 D CA 0.164 54.158 54.000 -0.009 0.000 0.632 97 D CB -0.877 39.919 40.800 -0.006 0.000 0.994 97 D HN 0.167 nan 8.370 nan 0.000 0.407 98 I N 0.728 121.197 120.570 -0.168 0.000 2.493 98 I HA -0.185 3.988 4.170 0.004 0.000 0.254 98 I C 1.958 177.902 176.117 -0.289 0.000 1.160 98 I CA 1.392 62.487 61.300 -0.341 0.000 1.445 98 I CB -0.051 37.584 38.000 -0.609 0.000 1.086 98 I HN 0.340 nan 8.210 nan 0.000 0.433 99 H N -0.885 118.174 119.070 -0.019 0.000 2.482 99 H HA 0.199 4.758 4.556 0.004 0.000 0.286 99 H C 2.176 177.449 175.328 -0.093 0.000 1.017 99 H CA 0.993 57.030 56.048 -0.018 0.000 1.322 99 H CB -0.393 29.389 29.762 0.034 0.000 1.426 99 H HN 0.390 nan 8.280 nan 0.000 0.546 100 G N 0.336 109.160 108.800 0.041 0.000 2.408 100 G HA2 -0.202 3.760 3.960 0.004 0.000 0.217 100 G HA3 -0.202 3.760 3.960 0.004 0.000 0.217 100 G C 1.709 176.594 174.900 -0.026 0.000 1.150 100 G CA 1.156 46.253 45.100 -0.005 0.000 0.776 100 G HN 0.309 nan 8.290 nan 0.000 0.542 101 T N -0.070 114.460 114.554 -0.040 0.000 2.777 101 T HA -0.117 4.235 4.350 0.004 0.000 0.266 101 T C 2.022 176.695 174.700 -0.045 0.000 1.040 101 T CA 0.973 63.035 62.100 -0.062 0.000 1.141 101 T CB -0.326 68.477 68.868 -0.108 0.000 0.868 101 T HN 0.242 nan 8.240 nan 0.000 0.444 102 Y N 2.222 122.440 120.300 -0.137 0.000 2.207 102 Y HA -0.119 4.434 4.550 0.004 0.000 0.287 102 Y C 2.498 178.314 175.900 -0.139 0.000 1.156 102 Y CA 1.075 59.106 58.100 -0.116 0.000 1.182 102 Y CB -0.177 38.214 38.460 -0.115 0.000 0.979 102 Y HN -0.033 nan 8.280 nan 0.000 0.521 103 K N 0.759 121.173 120.400 0.022 0.000 2.032 103 K HA -0.267 4.055 4.320 0.004 0.000 0.209 103 K C 2.088 178.695 176.600 0.011 0.000 1.048 103 K CA 1.982 58.252 56.287 -0.029 0.000 0.927 103 K CB -0.327 32.129 32.500 -0.073 0.000 0.712 103 K HN 0.533 nan 8.250 nan 0.000 0.441 104 E N 0.805 121.001 120.200 -0.008 0.000 2.023 104 E HA -0.200 4.153 4.350 0.004 0.000 0.196 104 E C 2.267 178.860 176.600 -0.012 0.000 1.003 104 E CA 1.129 57.521 56.400 -0.014 0.000 0.809 104 E CB -0.249 29.432 29.700 -0.033 0.000 0.755 104 E HN 0.283 nan 8.360 nan 0.000 0.449 105 L N 0.825 122.021 121.223 -0.046 0.000 2.010 105 L HA -0.284 4.059 4.340 0.004 0.000 0.219 105 L C 2.524 179.394 176.870 -0.001 0.000 1.077 105 L CA 1.607 56.406 54.840 -0.068 0.000 0.773 105 L CB -0.365 41.573 42.059 -0.202 0.000 0.892 105 L HN 0.369 nan 8.230 nan 0.000 0.436 106 L N -0.486 120.773 121.223 0.060 0.000 2.017 106 L HA -0.288 4.055 4.340 0.004 0.000 0.208 106 L C 2.175 179.094 176.870 0.082 0.000 1.073 106 L CA 1.780 56.690 54.840 0.116 0.000 0.745 106 L CB -0.679 41.493 42.059 0.188 0.000 0.894 106 L HN 0.296 nan 8.230 nan 0.000 0.432 107 D N -0.733 119.702 120.400 0.057 0.000 2.158 107 D HA -0.173 4.469 4.640 0.004 0.000 0.197 107 D C 2.128 178.454 176.300 0.044 0.000 0.995 107 D CA 1.657 55.684 54.000 0.045 0.000 0.846 107 D CB -0.081 40.735 40.800 0.027 0.000 0.941 107 D HN 0.248 nan 8.370 nan 0.000 0.456 108 T N -0.399 114.176 114.554 0.036 0.000 2.701 108 T HA -0.111 4.241 4.350 0.004 0.000 0.263 108 T C 2.140 176.874 174.700 0.057 0.000 1.040 108 T CA 1.598 63.720 62.100 0.037 0.000 1.147 108 T CB -0.351 68.529 68.868 0.020 0.000 0.865 108 T HN 0.176 nan 8.240 nan 0.000 0.426 109 V N 1.332 121.285 119.914 0.065 0.000 3.217 109 V HA 0.046 4.169 4.120 0.004 0.000 0.264 109 V C 2.168 178.330 176.094 0.113 0.000 1.135 109 V CA 1.517 63.871 62.300 0.089 0.000 1.142 109 V CB -1.414 30.461 31.823 0.087 0.000 0.754 109 V HN 0.634 nan 8.190 nan 0.000 0.484 110 T N -1.973 112.643 114.554 0.103 0.000 3.086 110 T HA 0.517 4.869 4.350 0.004 0.000 0.250 110 T C 0.969 175.724 174.700 0.092 0.000 1.074 110 T CA 0.420 62.587 62.100 0.112 0.000 0.988 110 T CB -0.175 68.757 68.868 0.108 0.000 0.988 110 T HN 0.941 nan 8.240 nan 0.000 0.530 111 A N 2.964 125.831 122.820 0.079 0.000 2.555 111 A HA 0.351 4.673 4.320 0.004 0.000 0.233 111 A C -0.684 176.939 177.584 0.065 0.000 1.060 111 A CA -0.907 51.167 52.037 0.063 0.000 0.759 111 A CB -0.086 18.947 19.000 0.055 0.000 0.995 111 A HN 0.212 nan 8.150 nan 0.000 0.506 112 P HA -0.267 nan 4.420 nan 0.000 0.216 112 P C 1.401 178.726 177.300 0.042 0.000 1.153 112 P CA 2.020 65.145 63.100 0.041 0.000 0.858 112 P CB -0.049 31.667 31.700 0.027 0.000 0.789 113 Q N -0.818 119.009 119.800 0.045 0.000 2.197 113 Q HA -0.143 4.200 4.340 0.004 0.000 0.207 113 Q C 0.852 176.890 176.000 0.064 0.000 0.984 113 Q CA 1.004 56.834 55.803 0.045 0.000 0.869 113 Q CB -0.677 28.089 28.738 0.046 0.000 0.906 113 Q HN 0.141 nan 8.270 nan 0.000 0.426 114 K N 0.690 121.145 120.400 0.091 0.000 2.332 114 K HA 0.149 4.472 4.320 0.004 0.000 0.246 114 K C 0.376 177.054 176.600 0.130 0.000 1.066 114 K CA -0.209 56.166 56.287 0.147 0.000 0.898 114 K CB 0.129 32.734 32.500 0.175 0.000 1.192 114 K HN 0.135 nan 8.250 nan 0.000 0.509 115 N N 0.064 118.888 118.700 0.207 0.000 2.232 115 N HA 0.083 4.826 4.740 0.004 0.000 0.240 115 N C -0.870 174.726 175.510 0.143 0.000 1.307 115 N CA -0.175 52.883 53.050 0.013 0.000 0.859 115 N CB 0.433 38.714 38.487 -0.342 0.000 1.260 115 N HN 0.213 nan 8.380 nan 0.000 0.501 116 L N 1.492 122.943 121.223 0.380 0.000 2.292 116 L HA 0.384 4.727 4.340 0.004 0.000 0.284 116 L C -0.324 176.717 176.870 0.285 0.000 1.065 116 L CA 0.046 55.161 54.840 0.459 0.000 0.806 116 L CB 0.601 42.921 42.059 0.434 0.000 1.175 116 L HN -0.163 nan 8.230 nan 0.000 0.431 117 K N 3.908 124.486 120.400 0.296 0.000 2.450 117 K HA 0.475 4.798 4.320 0.004 0.000 0.257 117 K C -1.186 175.547 176.600 0.222 0.000 0.953 117 K CA -0.452 55.962 56.287 0.212 0.000 0.844 117 K CB 1.742 34.351 32.500 0.182 0.000 1.103 117 K HN 0.608 nan 8.250 nan 0.000 0.429 118 S N 1.707 117.511 115.700 0.174 0.000 2.557 118 S HA 0.776 5.248 4.470 0.004 0.000 0.291 118 S C -1.586 173.104 174.600 0.150 0.000 1.116 118 S CA -0.475 57.829 58.200 0.173 0.000 0.992 118 S CB 1.334 64.640 63.200 0.176 0.000 1.028 118 S HN 0.676 nan 8.310 nan 0.000 0.484 119 A N 3.123 126.041 122.820 0.164 0.000 2.475 119 A HA 0.876 5.199 4.320 0.004 0.000 0.301 119 A C -0.816 176.968 177.584 0.334 0.000 1.059 119 A CA -0.655 51.504 52.037 0.203 0.000 0.710 119 A CB 1.892 20.910 19.000 0.030 0.000 1.288 119 A HN 0.727 nan 8.150 nan 0.000 0.408 120 S N 0.315 116.235 115.700 0.366 0.000 2.548 120 S HA 0.812 5.285 4.470 0.004 0.000 0.286 120 S C -0.485 174.229 174.600 0.189 0.000 1.098 120 S CA -0.680 57.673 58.200 0.255 0.000 0.930 120 S CB 1.837 65.112 63.200 0.126 0.000 1.070 120 S HN 0.735 nan 8.310 nan 0.000 0.480 121 R N 1.625 122.086 120.500 -0.066 0.000 2.604 121 R HA 0.532 4.875 4.340 0.004 0.000 0.281 121 R C -1.771 174.319 176.300 -0.349 0.000 1.020 121 R CA -0.511 55.375 56.100 -0.358 0.000 0.899 121 R CB 1.056 30.733 30.300 -1.038 0.000 1.205 121 R HN 0.666 nan 8.270 nan 0.000 0.450 122 I N 4.505 124.856 120.570 -0.365 0.000 2.321 122 I HA 0.305 4.478 4.170 0.004 0.000 0.291 122 I C -0.433 175.306 176.117 -0.630 0.000 0.998 122 I CA -0.869 60.142 61.300 -0.483 0.000 1.227 122 I CB 1.816 39.551 38.000 -0.442 0.000 1.368 122 I HN 0.204 nan 8.210 nan 0.000 0.466 123 V N 7.210 126.729 119.914 -0.659 0.000 2.448 123 V HA 0.450 4.572 4.120 0.004 0.000 0.295 123 V C -0.351 175.378 176.094 -0.608 0.000 1.025 123 V CA -0.559 61.419 62.300 -0.538 0.000 0.859 123 V CB 1.517 33.138 31.823 -0.336 0.000 0.988 123 V HN 0.404 nan 8.190 nan 0.000 0.431 124 F N 1.978 121.855 119.950 -0.122 0.000 2.483 124 F HA 0.479 5.009 4.527 0.004 0.000 0.329 124 F C 0.990 176.738 175.800 -0.086 0.000 1.064 124 F CA -0.917 57.016 58.000 -0.112 0.000 0.986 124 F CB 1.184 40.122 39.000 -0.105 0.000 1.218 124 F HN 0.628 nan 8.300 nan 0.000 0.484 125 E N 0.464 120.758 120.200 0.157 0.000 2.422 125 E HA 0.283 4.636 4.350 0.004 0.000 0.260 125 E C -0.122 176.507 176.600 0.048 0.000 1.108 125 E CA -0.746 55.692 56.400 0.063 0.000 0.943 125 E CB 0.218 29.942 29.700 0.041 0.000 0.961 125 E HN 0.582 nan 8.360 nan 0.000 0.443 126 K N 0.870 121.283 120.400 0.022 0.000 2.494 126 K HA 0.179 4.502 4.320 0.004 0.000 0.273 126 K C 1.253 177.856 176.600 0.005 0.000 0.970 126 K CA 0.858 57.153 56.287 0.012 0.000 0.963 126 K CB -0.982 31.521 32.500 0.005 0.000 0.913 126 K HN 1.086 nan 8.250 nan 0.000 0.502 127 K N -0.269 120.132 120.400 0.001 0.000 3.281 127 K HA -0.168 4.154 4.320 0.004 0.000 0.308 127 K C 0.606 177.192 176.600 -0.023 0.000 1.218 127 K CA 1.818 58.100 56.287 -0.009 0.000 0.923 127 K CB -2.544 29.950 32.500 -0.010 0.000 1.222 127 K HN 1.154 nan 8.250 nan 0.000 0.440 128 L N 0.055 121.260 121.223 -0.029 0.000 2.461 128 L HA 0.283 4.625 4.340 0.004 0.000 0.272 128 L C 0.829 177.647 176.870 -0.088 0.000 1.197 128 L CA -0.431 54.363 54.840 -0.076 0.000 0.836 128 L CB 0.850 42.838 42.059 -0.119 0.000 1.105 128 L HN 0.528 nan 8.230 nan 0.000 0.477 129 R N 4.312 124.749 120.500 -0.106 0.000 2.288 129 R HA 0.439 4.782 4.340 0.004 0.000 0.326 129 R C -1.226 174.999 176.300 -0.125 0.000 0.959 129 R CA -0.788 55.260 56.100 -0.087 0.000 0.834 129 R CB 0.736 31.000 30.300 -0.059 0.000 1.157 129 R HN 0.499 nan 8.270 nan 0.000 0.470 130 I N 4.563 125.066 120.570 -0.111 0.000 2.342 130 I HA 0.163 4.335 4.170 0.004 0.000 0.291 130 I C 0.183 176.292 176.117 -0.015 0.000 1.010 130 I CA -0.239 60.998 61.300 -0.105 0.000 1.308 130 I CB 1.386 39.355 38.000 -0.053 0.000 1.400 130 I HN 0.336 nan 8.210 nan 0.000 0.488 131 K N 4.379 124.776 120.400 -0.005 0.000 2.447 131 K HA 0.036 4.358 4.320 0.004 0.000 0.281 131 K C 1.246 177.893 176.600 0.078 0.000 1.031 131 K CA 0.191 56.495 56.287 0.029 0.000 1.019 131 K CB 0.297 32.811 32.500 0.023 0.000 0.918 131 K HN 0.779 nan 8.250 nan 0.000 0.476 132 S N 1.031 116.757 115.700 0.042 0.000 2.440 132 S HA -0.198 4.275 4.470 0.004 0.000 0.238 132 S C 1.826 176.445 174.600 0.031 0.000 1.010 132 S CA 1.389 59.606 58.200 0.029 0.000 0.972 132 S CB -0.352 62.854 63.200 0.010 0.000 0.774 132 S HN 0.672 nan 8.310 nan 0.000 0.501 133 S N 0.728 116.460 115.700 0.055 0.000 2.442 133 S HA -0.040 4.433 4.470 0.004 0.000 0.236 133 S C 1.413 176.073 174.600 0.100 0.000 1.007 133 S CA 0.712 58.947 58.200 0.058 0.000 0.965 133 S CB -0.741 62.495 63.200 0.059 0.000 0.773 133 S HN 0.602 nan 8.310 nan 0.000 0.504 134 F N 2.543 122.483 119.950 -0.016 0.000 2.220 134 F HA 0.241 4.771 4.527 0.004 0.000 0.290 134 F C 2.073 177.871 175.800 -0.003 0.000 1.080 134 F CA 0.387 58.380 58.000 -0.012 0.000 1.318 134 F CB -0.587 38.399 39.000 -0.024 0.000 1.063 134 F HN 0.041 nan 8.300 nan 0.000 0.498 135 V N 1.316 121.059 119.914 -0.286 0.000 2.392 135 V HA -0.292 3.831 4.120 0.004 0.000 0.249 135 V C 2.818 178.764 176.094 -0.248 0.000 1.059 135 V CA 1.705 63.800 62.300 -0.343 0.000 1.051 135 V CB -1.848 29.909 31.823 -0.110 0.000 0.658 135 V HN 0.487 nan 8.190 nan 0.000 0.455 136 A N 0.682 123.416 122.820 -0.143 0.000 1.851 136 A HA -0.160 4.163 4.320 0.004 0.000 0.216 136 A C 0.687 178.208 177.584 -0.105 0.000 1.195 136 A CA 2.315 54.297 52.037 -0.091 0.000 0.622 136 A CB -1.971 17.002 19.000 -0.045 0.000 0.831 136 A HN 0.549 nan 8.150 nan 0.000 0.444 137 P HA -0.103 nan 4.420 nan 0.000 0.216 137 P C 1.696 178.927 177.300 -0.115 0.000 1.153 137 P CA 0.840 63.879 63.100 -0.102 0.000 0.848 137 P CB -0.091 31.557 31.700 -0.085 0.000 0.787 138 L N 0.544 121.622 121.223 -0.243 0.000 1.989 138 L HA -0.174 4.168 4.340 0.004 0.000 0.211 138 L C 2.191 179.033 176.870 -0.046 0.000 1.071 138 L CA 2.100 56.823 54.840 -0.194 0.000 0.749 138 L CB -1.521 40.199 42.059 -0.565 0.000 0.890 138 L HN -0.093 nan 8.230 nan 0.000 0.431 139 E N -0.053 120.088 120.200 -0.098 0.000 2.153 139 E HA -0.271 4.082 4.350 0.004 0.000 0.194 139 E C 2.166 178.756 176.600 -0.017 0.000 0.988 139 E CA 1.343 57.721 56.400 -0.037 0.000 0.811 139 E CB -0.003 29.669 29.700 -0.048 0.000 0.746 139 E HN 0.618 nan 8.360 nan 0.000 0.466 140 K N -0.085 120.294 120.400 -0.036 0.000 1.967 140 K HA -0.059 4.264 4.320 0.004 0.000 0.212 140 K C 2.319 178.885 176.600 -0.056 0.000 1.044 140 K CA 1.720 57.985 56.287 -0.036 0.000 0.942 140 K CB -0.103 32.373 32.500 -0.039 0.000 0.726 140 K HN -0.073 nan 8.250 nan 0.000 0.440 141 S N -0.373 115.270 115.700 -0.095 0.000 2.383 141 S HA -0.094 4.378 4.470 0.004 0.000 0.227 141 S C 1.508 175.847 174.600 -0.435 0.000 1.026 141 S CA 1.133 59.177 58.200 -0.259 0.000 0.981 141 S CB -0.193 62.805 63.200 -0.336 0.000 0.818 141 S HN 0.361 nan 8.310 nan 0.000 0.472 142 Y N 0.562 120.840 120.300 -0.037 0.000 2.467 142 Y HA 0.368 4.920 4.550 0.004 0.000 0.250 142 Y C 1.568 177.471 175.900 0.005 0.000 1.155 142 Y CA -0.294 57.788 58.100 -0.029 0.000 1.249 142 Y CB -0.129 38.280 38.460 -0.085 0.000 1.146 142 Y HN 0.263 nan 8.280 nan 0.000 0.524 143 G N 1.768 110.620 108.800 0.088 0.000 2.393 143 G HA2 -0.239 3.724 3.960 0.004 0.000 0.299 143 G HA3 -0.239 3.724 3.960 0.004 0.000 0.299 143 G C 0.033 174.996 174.900 0.105 0.000 0.990 143 G CA 1.119 46.263 45.100 0.075 0.000 1.118 143 G HN 0.382 nan 8.290 nan 0.000 0.513 144 T N -1.007 113.603 114.554 0.093 0.000 3.012 144 T HA 0.621 4.974 4.350 0.004 0.000 0.330 144 T C -0.168 174.549 174.700 0.029 0.000 1.321 144 T CA -0.744 61.416 62.100 0.100 0.000 1.067 144 T CB 0.968 69.915 68.868 0.132 0.000 1.235 144 T HN 0.524 nan 8.240 nan 0.000 0.479 145 R N 3.282 123.801 120.500 0.031 0.000 2.532 145 R HA 0.593 4.936 4.340 0.004 0.000 0.295 145 R C -2.524 173.761 176.300 -0.025 0.000 0.968 145 R CA -1.901 54.196 56.100 -0.004 0.000 0.916 145 R CB 1.295 31.604 30.300 0.016 0.000 1.124 145 R HN 0.405 nan 8.270 nan 0.000 0.463 146 P HA 0.106 nan 4.420 nan 0.000 0.271 146 P C -0.996 176.307 177.300 0.005 0.000 1.218 146 P CA -0.455 62.665 63.100 0.033 0.000 0.780 146 P CB 0.664 32.555 31.700 0.318 0.000 0.901 147 R N 2.447 122.895 120.500 -0.086 0.000 2.460 147 R HA 0.494 4.837 4.340 0.004 0.000 0.303 147 R C -1.584 174.718 176.300 0.002 0.000 0.968 147 R CA -0.695 55.358 56.100 -0.078 0.000 0.889 147 R CB 0.558 30.740 30.300 -0.197 0.000 1.123 147 R HN 0.202 nan 8.270 nan 0.000 0.455 148 V N 5.995 125.932 119.914 0.039 0.000 2.370 148 V HA 0.307 4.430 4.120 0.004 0.000 0.283 148 V C -0.050 176.058 176.094 0.023 0.000 1.023 148 V CA -1.089 61.254 62.300 0.071 0.000 0.857 148 V CB 1.165 33.029 31.823 0.068 0.000 0.985 148 V HN 0.623 nan 8.190 nan 0.000 0.443 149 L N 4.237 125.470 121.223 0.016 0.000 2.543 149 L HA 0.059 4.402 4.340 0.004 0.000 0.285 149 L C 1.663 178.535 176.870 0.003 0.000 1.236 149 L CA 1.103 55.941 54.840 -0.003 0.000 0.871 149 L CB 0.600 42.655 42.059 -0.006 0.000 1.121 149 L HN 0.779 nan 8.230 nan 0.000 0.501 150 T N 1.664 116.217 114.554 -0.001 0.000 3.014 150 T HA 0.152 4.504 4.350 0.004 0.000 0.263 150 T C 1.256 175.957 174.700 0.001 0.000 1.078 150 T CA 1.051 63.151 62.100 0.001 0.000 1.135 150 T CB -0.021 68.848 68.868 0.001 0.000 0.895 150 T HN 0.956 nan 8.240 nan 0.000 0.480 151 G N 1.413 110.213 108.800 -0.001 0.000 2.279 151 G HA2 -0.219 3.744 3.960 0.004 0.000 0.223 151 G HA3 -0.219 3.744 3.960 0.004 0.000 0.223 151 G C 0.265 175.164 174.900 -0.000 0.000 1.015 151 G CA -0.016 45.084 45.100 -0.000 0.000 0.621 151 G HN 0.537 nan 8.290 nan 0.000 0.506 152 N N 2.423 121.123 118.700 0.000 0.000 2.402 152 N HA 0.274 5.016 4.740 0.004 0.000 0.252 152 N C -0.292 175.218 175.510 0.000 0.000 1.118 152 N CA -1.077 51.974 53.050 0.001 0.000 0.945 152 N CB 1.763 40.252 38.487 0.002 0.000 1.147 152 N HN 0.197 nan 8.380 nan 0.000 0.495 153 P HA -0.201 nan 4.420 nan 0.000 0.215 153 P C 1.112 178.412 177.300 0.001 0.000 1.163 153 P CA 1.320 64.419 63.100 -0.001 0.000 0.894 153 P CB 0.384 32.084 31.700 -0.000 0.000 0.791 154 R N -0.780 119.722 120.500 0.002 0.000 2.120 154 R HA -0.021 4.321 4.340 0.004 0.000 0.234 154 R C 2.611 178.914 176.300 0.006 0.000 1.123 154 R CA 0.807 56.910 56.100 0.004 0.000 0.975 154 R CB -0.796 29.506 30.300 0.004 0.000 0.866 154 R HN 0.237 nan 8.270 nan 0.000 0.446 155 L N 0.570 121.796 121.223 0.005 0.000 2.131 155 L HA -0.132 4.211 4.340 0.004 0.000 0.206 155 L C 1.261 178.136 176.870 0.007 0.000 1.087 155 L CA 1.351 56.195 54.840 0.007 0.000 0.767 155 L CB -0.095 41.968 42.059 0.006 0.000 0.917 155 L HN 0.098 nan 8.230 nan 0.000 0.441 156 D N -0.080 120.321 120.400 0.002 0.000 2.144 156 D HA -0.201 4.442 4.640 0.004 0.000 0.200 156 D C 2.072 178.371 176.300 -0.001 0.000 0.978 156 D CA 1.167 55.165 54.000 -0.004 0.000 0.833 156 D CB -0.010 40.784 40.800 -0.011 0.000 0.961 156 D HN 0.347 nan 8.370 nan 0.000 0.470 157 L N 0.541 121.766 121.223 0.003 0.000 2.156 157 L HA -0.133 4.210 4.340 0.004 0.000 0.208 157 L C 2.137 179.020 176.870 0.021 0.000 1.095 157 L CA 0.914 55.759 54.840 0.009 0.000 0.770 157 L CB 0.032 42.095 42.059 0.006 0.000 0.914 157 L HN -0.114 nan 8.230 nan 0.000 0.439 158 Q N 0.081 119.893 119.800 0.020 0.000 2.046 158 Q HA -0.266 4.077 4.340 0.004 0.000 0.200 158 Q C 1.971 177.998 176.000 0.045 0.000 0.975 158 Q CA 1.891 57.711 55.803 0.028 0.000 0.836 158 Q CB -0.322 28.430 28.738 0.022 0.000 0.896 158 Q HN 0.593 nan 8.270 nan 0.000 0.428 159 E N 1.475 121.700 120.200 0.041 0.000 2.033 159 E HA -0.189 4.163 4.350 0.004 0.000 0.199 159 E C 1.940 178.601 176.600 0.101 0.000 1.011 159 E CA 1.510 57.945 56.400 0.059 0.000 0.815 159 E CB -0.551 29.166 29.700 0.029 0.000 0.755 159 E HN 0.363 nan 8.360 nan 0.000 0.451 160 I N 0.632 121.244 120.570 0.069 0.000 2.118 160 I HA -0.324 3.849 4.170 0.004 0.000 0.241 160 I C 2.212 178.445 176.117 0.194 0.000 1.070 160 I CA 1.520 62.885 61.300 0.109 0.000 1.327 160 I CB -0.617 37.405 38.000 0.036 0.000 1.034 160 I HN 0.233 nan 8.210 nan 0.000 0.405 161 N N 1.110 119.879 118.700 0.116 0.000 2.149 161 N HA -0.189 4.554 4.740 0.004 0.000 0.188 161 N C 1.469 177.036 175.510 0.094 0.000 1.019 161 N CA 1.493 54.600 53.050 0.095 0.000 0.857 161 N CB -0.658 37.860 38.487 0.051 0.000 0.997 161 N HN 0.527 nan 8.380 nan 0.000 0.426 162 N N -0.669 118.092 118.700 0.103 0.000 2.270 162 N HA -0.136 4.607 4.740 0.004 0.000 0.181 162 N C 1.583 177.152 175.510 0.099 0.000 1.016 162 N CA 0.431 53.528 53.050 0.078 0.000 0.870 162 N CB -0.078 38.453 38.487 0.073 0.000 0.979 162 N HN 0.334 nan 8.380 nan 0.000 0.431 163 W N 2.174 123.473 121.300 -0.002 0.000 2.378 163 W HA -0.115 4.548 4.660 0.004 0.000 0.313 163 W C 1.971 178.493 176.519 0.005 0.000 1.197 163 W CA 0.997 58.343 57.345 0.001 0.000 1.304 163 W CB -0.455 29.004 29.460 -0.001 0.000 1.148 163 W HN -0.136 nan 8.180 nan 0.000 0.494 164 V N 0.524 120.521 119.914 0.138 0.000 3.541 164 V HA -0.063 4.059 4.120 0.004 0.000 0.272 164 V C 1.563 177.582 176.094 -0.126 0.000 1.215 164 V CA 1.823 64.078 62.300 -0.076 0.000 1.176 164 V CB -0.407 31.514 31.823 0.164 0.000 0.854 164 V HN 0.297 nan 8.190 nan 0.000 0.496 165 Q N 0.990 120.724 119.800 -0.110 0.000 2.274 165 Q HA 0.421 4.763 4.340 0.004 0.000 0.198 165 Q C 2.303 178.220 176.000 -0.138 0.000 0.955 165 Q CA 1.871 57.617 55.803 -0.094 0.000 0.859 165 Q CB -0.432 28.280 28.738 -0.043 0.000 0.956 165 Q HN 0.590 nan 8.270 nan 0.000 0.516 166 A N 0.218 122.942 122.820 -0.159 0.000 1.940 166 A HA -0.254 4.068 4.320 0.004 0.000 0.219 166 A C 2.006 179.458 177.584 -0.220 0.000 1.176 166 A CA 1.837 53.777 52.037 -0.161 0.000 0.631 166 A CB -0.529 18.383 19.000 -0.147 0.000 0.814 166 A HN 0.351 nan 8.150 nan 0.000 0.446 167 Q N -1.359 118.219 119.800 -0.369 0.000 1.990 167 Q HA -0.008 4.335 4.340 0.004 0.000 0.200 167 Q C 1.727 177.599 176.000 -0.214 0.000 0.980 167 Q CA 1.709 57.276 55.803 -0.394 0.000 0.832 167 Q CB -0.280 28.014 28.738 -0.739 0.000 0.897 167 Q HN 0.531 nan 8.270 nan 0.000 0.427 168 M N 0.335 119.824 119.600 -0.185 0.000 2.639 168 M HA 0.063 4.546 4.480 0.004 0.000 0.220 168 M C -0.529 175.700 176.300 -0.119 0.000 1.155 168 M CA 0.315 55.553 55.300 -0.103 0.000 1.003 168 M CB 0.183 32.736 32.600 -0.079 0.000 1.725 168 M HN -0.033 nan 8.290 nan 0.000 0.489 169 K N 0.595 120.927 120.400 -0.114 0.000 3.003 169 K HA -0.176 4.146 4.320 0.004 0.000 0.257 169 K C 0.655 177.189 176.600 -0.111 0.000 0.958 169 K CA 0.888 57.116 56.287 -0.098 0.000 0.707 169 K CB -2.566 29.888 32.500 -0.077 0.000 1.279 169 K HN 0.736 nan 8.250 nan 0.000 0.479 170 G N -0.149 108.582 108.800 -0.114 0.000 2.314 170 G HA2 -0.369 3.594 3.960 0.004 0.000 0.292 170 G HA3 -0.369 3.594 3.960 0.004 0.000 0.292 170 G C 0.359 175.170 174.900 -0.149 0.000 1.059 170 G CA 0.680 45.716 45.100 -0.107 0.000 0.982 170 G HN 0.468 nan 8.290 nan 0.000 0.505 171 K N -1.009 119.255 120.400 -0.226 0.000 2.413 171 K HA 0.394 4.716 4.320 0.004 0.000 0.204 171 K C 0.570 177.000 176.600 -0.283 0.000 1.041 171 K CA -0.035 56.022 56.287 -0.384 0.000 1.082 171 K CB 0.826 32.811 32.500 -0.858 0.000 0.871 171 K HN 0.398 nan 8.250 nan 0.000 0.535 172 L N 1.144 122.288 121.223 -0.132 0.000 2.385 172 L HA 0.461 4.804 4.340 0.004 0.000 0.273 172 L C -0.312 176.543 176.870 -0.026 0.000 0.990 172 L CA -1.130 53.689 54.840 -0.036 0.000 0.821 172 L CB 1.870 43.932 42.059 0.006 0.000 1.279 172 L HN -0.021 nan 8.230 nan 0.000 0.412 173 A N 2.121 124.936 122.820 -0.009 0.000 2.537 173 A HA 0.390 4.713 4.320 0.004 0.000 0.260 173 A C 0.810 178.390 177.584 -0.007 0.000 1.082 173 A CA 0.167 52.198 52.037 -0.009 0.000 0.765 173 A CB -0.117 18.881 19.000 -0.003 0.000 1.019 173 A HN 0.851 nan 8.150 nan 0.000 0.507 174 R N 3.084 123.580 120.500 -0.007 0.000 2.473 174 R HA 0.360 4.703 4.340 0.004 0.000 0.315 174 R C 0.727 177.028 176.300 0.001 0.000 0.972 174 R CA 0.768 56.869 56.100 0.002 0.000 1.047 174 R CB -0.783 29.518 30.300 0.002 0.000 0.932 174 R HN 1.387 nan 8.270 nan 0.000 0.411 175 S N 0.567 116.269 115.700 0.004 0.000 2.596 175 S HA 0.343 4.815 4.470 0.004 0.000 0.260 175 S C 0.589 175.188 174.600 -0.002 0.000 1.336 175 S CA 0.887 59.084 58.200 -0.004 0.000 0.993 175 S CB 0.776 63.972 63.200 -0.006 0.000 0.923 175 S HN 1.145 nan 8.310 nan 0.000 0.567 176 T N 0.772 115.322 114.554 -0.007 0.000 4.205 176 T HA 0.445 4.798 4.350 0.004 0.000 0.219 176 T C 0.175 174.871 174.700 -0.007 0.000 0.975 176 T CA 0.199 62.297 62.100 -0.005 0.000 1.484 176 T CB -0.747 68.119 68.868 -0.004 0.000 0.805 176 T HN 0.687 nan 8.240 nan 0.000 0.616 177 K N 0.376 120.770 120.400 -0.009 0.000 2.354 177 K HA 0.780 5.102 4.320 0.004 0.000 0.194 177 K C 0.610 177.207 176.600 -0.006 0.000 1.038 177 K CA 1.500 57.781 56.287 -0.011 0.000 1.052 177 K CB -0.466 32.023 32.500 -0.017 0.000 0.861 177 K HN 1.682 nan 8.250 nan 0.000 0.535 178 E N 0.257 120.454 120.200 -0.005 0.000 7.387 178 E HA -0.067 4.285 4.350 0.004 0.000 0.318 178 E C 0.055 176.653 176.600 -0.004 0.000 0.824 178 E CA 0.378 56.776 56.400 -0.003 0.000 1.347 178 E CB -2.867 26.832 29.700 -0.002 0.000 0.927 178 E HN 1.487 nan 8.360 nan 0.000 0.269 179 I N -0.123 120.443 120.570 -0.006 0.000 2.948 179 I HA 0.414 4.586 4.170 0.004 0.000 0.303 179 I C -1.506 174.608 176.117 -0.005 0.000 1.224 179 I CA -1.262 60.032 61.300 -0.009 0.000 1.442 179 I CB 0.093 38.084 38.000 -0.015 0.000 1.328 179 I HN 0.428 nan 8.210 nan 0.000 0.578 180 P HA 0.144 nan 4.420 nan 0.000 0.267 180 P C 0.537 177.838 177.300 0.002 0.000 1.200 180 P CA 0.624 63.725 63.100 0.002 0.000 0.772 180 P CB 0.566 32.271 31.700 0.008 0.000 0.855 181 D N 1.006 121.408 120.400 0.004 0.000 2.097 181 D HA -0.043 4.600 4.640 0.004 0.000 0.195 181 D C 0.941 177.244 176.300 0.005 0.000 0.989 181 D CA 1.699 55.701 54.000 0.004 0.000 0.827 181 D CB -0.875 39.928 40.800 0.004 0.000 0.966 181 D HN 0.651 nan 8.370 nan 0.000 0.456 182 E N -0.523 119.683 120.200 0.009 0.000 2.130 182 E HA 0.635 4.987 4.350 0.004 0.000 0.284 182 E C -0.575 176.033 176.600 0.013 0.000 1.018 182 E CA -0.432 55.976 56.400 0.013 0.000 0.817 182 E CB 0.476 30.187 29.700 0.018 0.000 1.078 182 E HN 0.612 nan 8.360 nan 0.000 0.396 183 I N 2.304 122.879 120.570 0.008 0.000 2.534 183 I HA 0.283 4.455 4.170 0.004 0.000 0.288 183 I C 0.873 176.993 176.117 0.005 0.000 1.077 183 I CA -0.552 60.749 61.300 0.000 0.000 1.051 183 I CB 2.384 40.375 38.000 -0.014 0.000 1.234 183 I HN 0.570 nan 8.210 nan 0.000 0.425 184 S N 6.108 121.809 115.700 0.001 0.000 2.738 184 S HA 0.487 4.959 4.470 0.004 0.000 0.216 184 S C 0.367 174.982 174.600 0.025 0.000 0.968 184 S CA 0.367 58.577 58.200 0.017 0.000 0.879 184 S CB 0.465 63.671 63.200 0.010 0.000 0.837 184 S HN 0.466 nan 8.310 nan 0.000 0.622 185 I N 2.452 122.988 120.570 -0.056 0.000 2.447 185 I HA 0.466 4.638 4.170 0.004 0.000 0.287 185 I C -1.508 174.474 176.117 -0.226 0.000 1.023 185 I CA -0.711 60.484 61.300 -0.174 0.000 1.083 185 I CB 2.051 39.907 38.000 -0.239 0.000 1.245 185 I HN 0.255 nan 8.210 nan 0.000 0.434 186 L N 7.955 129.006 121.223 -0.288 0.000 2.322 186 L HA 0.614 4.957 4.340 0.004 0.000 0.281 186 L C -1.291 175.418 176.870 -0.267 0.000 1.014 186 L CA -0.176 54.534 54.840 -0.217 0.000 0.815 186 L CB 1.418 43.374 42.059 -0.171 0.000 1.247 186 L HN 0.440 nan 8.230 nan 0.000 0.421 187 L N 5.599 126.713 121.223 -0.181 0.000 2.317 187 L HA 0.569 4.911 4.340 0.004 0.000 0.281 187 L C -1.040 175.781 176.870 -0.082 0.000 1.024 187 L CA -0.793 53.950 54.840 -0.161 0.000 0.810 187 L CB 1.807 43.794 42.059 -0.119 0.000 1.240 187 L HN 0.505 nan 8.230 nan 0.000 0.427 188 L N 2.357 123.531 121.223 -0.082 0.000 2.385 188 L HA 0.815 5.158 4.340 0.004 0.000 0.273 188 L C -0.269 176.669 176.870 0.114 0.000 0.990 188 L CA -0.031 54.814 54.840 0.008 0.000 0.821 188 L CB 1.992 44.012 42.059 -0.064 0.000 1.279 188 L HN 0.533 nan 8.230 nan 0.000 0.412 189 G N 4.679 113.605 108.800 0.210 0.000 2.782 189 G HA2 0.587 4.549 3.960 0.004 0.000 0.289 189 G HA3 0.587 4.549 3.960 0.004 0.000 0.289 189 G C -1.431 173.670 174.900 0.336 0.000 1.463 189 G CA -0.322 44.952 45.100 0.289 0.000 1.019 189 G HN 0.785 nan 8.290 nan 0.000 0.536 190 V N 0.061 120.136 119.914 0.270 0.000 2.628 190 V HA 0.995 5.117 4.120 0.004 0.000 0.306 190 V C -0.027 176.173 176.094 0.177 0.000 1.045 190 V CA -0.925 61.479 62.300 0.174 0.000 0.905 190 V CB 1.343 33.263 31.823 0.163 0.000 0.997 190 V HN 1.457 nan 8.190 nan 0.000 0.436 191 A N 2.670 125.596 122.820 0.176 0.000 2.549 191 A HA 0.866 5.189 4.320 0.004 0.000 0.297 191 A C -1.359 176.487 177.584 0.437 0.000 1.061 191 A CA -0.534 51.663 52.037 0.267 0.000 0.690 191 A CB 1.802 20.912 19.000 0.183 0.000 1.287 191 A HN 1.597 nan 8.150 nan 0.000 0.402 192 H N 0.032 119.334 119.070 0.386 0.000 2.851 192 H HA 0.764 5.323 4.556 0.004 0.000 0.372 192 H C -2.175 173.411 175.328 0.429 0.000 1.158 192 H CA -0.873 55.393 56.048 0.364 0.000 1.159 192 H CB 1.527 31.385 29.762 0.161 0.000 1.757 192 H HN 0.817 nan 8.280 nan 0.000 0.546 193 F N 4.308 123.776 119.950 -0.803 0.000 2.605 193 F HA 0.441 4.970 4.527 0.005 0.000 0.320 193 F C -1.866 173.458 175.800 -0.792 0.000 1.159 193 F CA -0.643 57.016 58.000 -0.569 0.000 0.999 193 F CB 1.411 40.241 39.000 -0.283 0.000 1.258 193 F HN 0.401 nan 8.300 nan 0.000 0.464 194 K N 4.671 124.320 120.400 -1.252 0.000 2.690 194 K HA 0.525 4.847 4.320 0.004 0.000 0.243 194 K C -0.652 175.323 176.600 -1.042 0.000 0.982 194 K CA -0.168 55.575 56.287 -0.908 0.000 0.955 194 K CB 1.301 33.578 32.500 -0.373 0.000 1.185 194 K HN 0.907 nan 8.250 nan 0.000 0.467 195 G N 1.563 109.672 108.800 -1.152 0.000 2.828 195 G HA2 0.540 4.502 3.960 0.004 0.000 0.244 195 G HA3 0.540 4.502 3.960 0.004 0.000 0.244 195 G C -0.978 173.665 174.900 -0.428 0.000 1.365 195 G CA -0.266 44.392 45.100 -0.736 0.000 1.041 195 G HN 0.462 nan 8.290 nan 0.000 0.560 196 Q N -0.910 118.697 119.800 -0.322 0.000 2.309 196 Q HA 0.250 4.593 4.340 0.004 0.000 0.273 196 Q C -1.597 174.287 176.000 -0.193 0.000 1.040 196 Q CA -0.567 55.089 55.803 -0.245 0.000 0.834 196 Q CB 2.589 31.278 28.738 -0.082 0.000 1.345 196 Q HN 0.604 nan 8.270 nan 0.000 0.414 197 W N 1.255 122.598 121.300 0.072 0.000 2.129 197 W HA 0.185 4.847 4.660 0.004 0.000 0.349 197 W C 1.720 178.255 176.519 0.027 0.000 1.279 197 W CA -0.513 56.869 57.345 0.063 0.000 1.306 197 W CB 0.340 29.849 29.460 0.081 0.000 1.140 197 W HN 0.552 nan 8.180 nan 0.000 0.613 198 V N -1.609 118.457 119.914 0.253 0.000 2.667 198 V HA -0.012 4.111 4.120 0.004 0.000 0.252 198 V C 0.417 176.565 176.094 0.090 0.000 1.065 198 V CA 1.195 63.571 62.300 0.126 0.000 1.083 198 V CB -0.955 30.918 31.823 0.083 0.000 0.692 198 V HN 0.477 nan 8.190 nan 0.000 0.468 199 T N 2.732 117.337 114.554 0.085 0.000 2.786 199 T HA 0.518 4.870 4.350 0.004 0.000 0.283 199 T C -0.282 174.382 174.700 -0.060 0.000 0.992 199 T CA -0.659 61.415 62.100 -0.043 0.000 0.954 199 T CB 1.601 70.363 68.868 -0.177 0.000 0.934 199 T HN 0.782 nan 8.240 nan 0.000 0.440 200 K N 2.102 122.497 120.400 -0.009 0.000 2.120 200 K HA 0.591 4.913 4.320 0.004 0.000 0.245 200 K C -0.888 175.638 176.600 -0.123 0.000 1.024 200 K CA -0.479 55.857 56.287 0.082 0.000 0.906 200 K CB 0.539 33.109 32.500 0.116 0.000 1.051 200 K HN 0.323 nan 8.250 nan 0.000 0.491 201 F N -0.122 119.810 119.950 -0.030 0.000 2.470 201 F HA 0.160 4.689 4.527 0.004 0.000 0.329 201 F C 0.445 176.229 175.800 -0.027 0.000 1.072 201 F CA -0.683 57.272 58.000 -0.075 0.000 0.989 201 F CB 1.443 40.377 39.000 -0.109 0.000 1.193 201 F HN 0.582 nan 8.300 nan 0.000 0.481 202 D N 0.977 121.461 120.400 0.140 0.000 2.352 202 D HA 0.025 4.667 4.640 0.004 0.000 0.245 202 D C 1.101 177.460 176.300 0.098 0.000 1.224 202 D CA 0.188 54.238 54.000 0.084 0.000 0.879 202 D CB 1.145 41.970 40.800 0.042 0.000 1.057 202 D HN 0.618 nan 8.370 nan 0.000 0.491 203 S N 4.034 119.786 115.700 0.087 0.000 2.440 203 S HA -0.181 4.291 4.470 0.004 0.000 0.238 203 S C 1.491 176.122 174.600 0.050 0.000 1.010 203 S CA 0.670 58.912 58.200 0.070 0.000 0.972 203 S CB -0.037 63.199 63.200 0.060 0.000 0.774 203 S HN 0.530 nan 8.310 nan 0.000 0.501 204 R N 0.782 121.308 120.500 0.044 0.000 2.275 204 R HA 0.233 4.575 4.340 0.004 0.000 0.199 204 R C 1.960 178.280 176.300 0.033 0.000 0.989 204 R CA 0.677 56.796 56.100 0.033 0.000 1.016 204 R CB -0.118 30.197 30.300 0.026 0.000 0.918 204 R HN 0.404 nan 8.270 nan 0.000 0.473 205 K N 0.747 121.174 120.400 0.044 0.000 2.374 205 K HA 0.085 4.408 4.320 0.004 0.000 0.196 205 K C -0.428 176.200 176.600 0.046 0.000 1.023 205 K CA 0.187 56.501 56.287 0.044 0.000 1.103 205 K CB 0.734 33.264 32.500 0.051 0.000 0.848 205 K HN -0.102 nan 8.250 nan 0.000 0.528 206 T N 1.186 115.765 114.554 0.042 0.000 2.729 206 T HA 0.177 4.530 4.350 0.004 0.000 0.296 206 T C -0.503 174.213 174.700 0.026 0.000 0.928 206 T CA -0.412 61.706 62.100 0.030 0.000 1.045 206 T CB 1.225 70.108 68.868 0.025 0.000 0.902 206 T HN 0.232 nan 8.240 nan 0.000 0.500 207 S N 3.425 119.141 115.700 0.025 0.000 2.595 207 S HA 0.639 5.111 4.470 0.004 0.000 0.281 207 S C -0.690 173.924 174.600 0.024 0.000 1.117 207 S CA -1.218 56.996 58.200 0.024 0.000 0.873 207 S CB 0.955 64.169 63.200 0.023 0.000 1.108 207 S HN 0.338 nan 8.310 nan 0.000 0.477 208 L N 2.687 123.923 121.223 0.021 0.000 2.513 208 L HA 0.449 4.791 4.340 0.004 0.000 0.272 208 L C 0.525 177.407 176.870 0.020 0.000 1.187 208 L CA 1.054 55.907 54.840 0.021 0.000 0.895 208 L CB -0.403 41.666 42.059 0.017 0.000 1.147 208 L HN 0.802 nan 8.230 nan 0.000 0.483 209 E N 1.595 121.810 120.200 0.025 0.000 2.423 209 E HA 0.373 4.725 4.350 0.004 0.000 0.269 209 E C -1.144 175.452 176.600 -0.007 0.000 0.948 209 E CA -0.836 55.570 56.400 0.010 0.000 0.802 209 E CB 1.398 31.110 29.700 0.020 0.000 1.339 209 E HN 0.337 nan 8.360 nan 0.000 0.445 210 D N 0.619 120.973 120.400 -0.076 0.000 2.264 210 D HA 0.293 4.936 4.640 0.004 0.000 0.250 210 D C -0.897 175.226 176.300 -0.294 0.000 1.113 210 D CA 0.039 53.926 54.000 -0.188 0.000 0.871 210 D CB 0.278 40.905 40.800 -0.289 0.000 1.167 210 D HN 0.136 nan 8.370 nan 0.000 0.447 211 F N 3.136 122.870 119.950 -0.360 0.000 2.460 211 F HA 0.277 4.807 4.527 0.004 0.000 0.341 211 F C -1.145 174.488 175.800 -0.278 0.000 1.130 211 F CA -0.968 56.865 58.000 -0.278 0.000 0.962 211 F CB 0.619 39.579 39.000 -0.066 0.000 1.171 211 F HN 0.169 nan 8.300 nan 0.000 0.436 212 Y N 7.212 127.371 120.300 -0.235 0.000 2.624 212 Y HA 0.181 4.733 4.550 0.004 0.000 0.354 212 Y C 1.143 177.050 175.900 0.011 0.000 1.051 212 Y CA -0.372 57.680 58.100 -0.080 0.000 1.377 212 Y CB 0.291 38.676 38.460 -0.125 0.000 1.168 212 Y HN 0.612 nan 8.280 nan 0.000 0.525 213 L N 2.169 123.591 121.223 0.331 0.000 2.275 213 L HA -0.083 4.260 4.340 0.004 0.000 0.215 213 L C -0.001 176.998 176.870 0.215 0.000 1.119 213 L CA 1.030 56.071 54.840 0.336 0.000 0.790 213 L CB -0.325 41.885 42.059 0.252 0.000 0.919 213 L HN 0.707 nan 8.230 nan 0.000 0.443 214 D N -3.896 116.612 120.400 0.180 0.000 2.890 214 D HA -0.088 4.554 4.640 0.004 0.000 0.306 214 D C 0.355 176.704 176.300 0.083 0.000 1.280 214 D CA -0.281 53.787 54.000 0.114 0.000 0.742 214 D CB 0.107 40.962 40.800 0.092 0.000 1.266 214 D HN -0.110 nan 8.370 nan 0.000 0.433 215 E N 0.183 120.403 120.200 0.034 0.000 2.267 215 E HA -0.215 4.138 4.350 0.004 0.000 0.197 215 E C 0.701 177.307 176.600 0.010 0.000 0.998 215 E CA 1.459 57.855 56.400 -0.006 0.000 0.830 215 E CB -0.133 29.559 29.700 -0.014 0.000 0.751 215 E HN 0.719 nan 8.360 nan 0.000 0.491 216 E N 0.038 120.262 120.200 0.040 0.000 2.413 216 E HA 0.150 4.503 4.350 0.004 0.000 0.203 216 E C 0.132 176.775 176.600 0.071 0.000 0.957 216 E CA -0.110 56.316 56.400 0.044 0.000 0.950 216 E CB 0.623 30.345 29.700 0.035 0.000 0.957 216 E HN 0.069 nan 8.360 nan 0.000 0.497 217 R N 0.274 120.833 120.500 0.100 0.000 2.562 217 R HA 0.465 4.807 4.340 0.004 0.000 0.298 217 R C -0.843 175.562 176.300 0.175 0.000 0.961 217 R CA -0.237 55.934 56.100 0.118 0.000 0.881 217 R CB 2.188 32.549 30.300 0.102 0.000 1.159 217 R HN -0.171 nan 8.270 nan 0.000 0.450 218 T N 1.463 116.111 114.554 0.157 0.000 2.900 218 T HA 0.626 4.979 4.350 0.004 0.000 0.295 218 T C -0.807 173.953 174.700 0.099 0.000 1.044 218 T CA -0.751 61.441 62.100 0.154 0.000 0.995 218 T CB 1.846 70.816 68.868 0.170 0.000 1.072 218 T HN 0.436 nan 8.240 nan 0.000 0.473 219 V N 0.041 120.007 119.914 0.087 0.000 3.182 219 V HA 0.764 4.886 4.120 0.004 0.000 0.308 219 V C -1.493 174.631 176.094 0.050 0.000 1.240 219 V CA -1.452 60.888 62.300 0.068 0.000 1.063 219 V CB 2.212 34.078 31.823 0.072 0.000 1.076 219 V HN 0.800 nan 8.190 nan 0.000 0.446 220 R N 1.049 121.569 120.500 0.034 0.000 2.393 220 R HA 0.788 5.131 4.340 0.004 0.000 0.315 220 R C -1.006 175.308 176.300 0.023 0.000 0.952 220 R CA -0.477 55.639 56.100 0.027 0.000 0.842 220 R CB 1.932 32.242 30.300 0.017 0.000 1.163 220 R HN 1.055 nan 8.270 nan 0.000 0.450 221 V N -0.055 119.881 119.914 0.038 0.000 2.823 221 V HA 0.629 4.752 4.120 0.004 0.000 0.312 221 V C -2.591 173.525 176.094 0.037 0.000 1.072 221 V CA -2.909 59.401 62.300 0.017 0.000 0.937 221 V CB 2.289 34.096 31.823 -0.027 0.000 1.013 221 V HN 0.572 nan 8.190 nan 0.000 0.430 222 P HA 0.235 nan 4.420 nan 0.000 0.267 222 P C -0.894 176.433 177.300 0.044 0.000 1.205 222 P CA 0.175 63.294 63.100 0.031 0.000 0.765 222 P CB 0.630 32.345 31.700 0.025 0.000 0.828 223 M N 3.739 123.362 119.600 0.038 0.000 2.311 223 M HA 0.401 4.884 4.480 0.004 0.000 0.325 223 M C 0.401 176.691 176.300 -0.016 0.000 1.061 223 M CA -0.699 54.619 55.300 0.031 0.000 0.957 223 M CB 1.758 34.388 32.600 0.051 0.000 1.646 223 M HN 0.324 nan 8.290 nan 0.000 0.434 224 M N 1.075 120.615 119.600 -0.100 0.000 2.247 224 M HA 0.391 4.873 4.480 0.004 0.000 0.326 224 M C 0.253 176.513 176.300 -0.066 0.000 1.134 224 M CA -0.061 55.129 55.300 -0.185 0.000 1.136 224 M CB 1.600 33.822 32.600 -0.630 0.000 1.454 224 M HN 0.684 nan 8.290 nan 0.000 0.467 225 S N 0.291 116.056 115.700 0.108 0.000 2.564 225 S HA 0.486 4.959 4.470 0.004 0.000 0.274 225 S C -1.929 172.783 174.600 0.186 0.000 1.124 225 S CA -0.689 57.592 58.200 0.135 0.000 0.869 225 S CB 1.648 64.889 63.200 0.069 0.000 1.105 225 S HN 0.778 nan 8.310 nan 0.000 0.472 226 D N 2.903 123.332 120.400 0.049 0.000 2.312 226 D HA 0.285 4.928 4.640 0.004 0.000 0.229 226 D C -2.219 174.028 176.300 -0.089 0.000 1.337 226 D CA -1.196 52.754 54.000 -0.084 0.000 0.964 226 D CB 1.959 42.588 40.800 -0.285 0.000 1.456 226 D HN 0.341 nan 8.370 nan 0.000 0.547 227 P HA 0.014 nan 4.420 nan 0.000 0.229 227 P C 0.409 177.669 177.300 -0.067 0.000 1.160 227 P CA 0.622 63.693 63.100 -0.049 0.000 0.777 227 P CB 0.218 31.905 31.700 -0.022 0.000 0.814 228 K N -0.323 120.023 120.400 -0.090 0.000 3.206 228 K HA 0.656 4.978 4.320 0.004 0.000 0.180 228 K C 0.205 176.728 176.600 -0.128 0.000 1.088 228 K CA -0.313 55.919 56.287 -0.092 0.000 0.872 228 K CB -0.045 32.411 32.500 -0.072 0.000 0.976 228 K HN 0.248 nan 8.250 nan 0.000 0.564 229 A N 0.267 122.994 122.820 -0.155 0.000 2.354 229 A HA 0.667 4.989 4.320 0.004 0.000 0.269 229 A C 0.140 177.628 177.584 -0.160 0.000 1.109 229 A CA -0.295 51.623 52.037 -0.198 0.000 0.800 229 A CB 1.172 20.030 19.000 -0.236 0.000 1.045 229 A HN 1.271 nan 8.150 nan 0.000 0.489 230 V N 5.105 124.925 119.914 -0.156 0.000 2.313 230 V HA 0.645 4.768 4.120 0.004 0.000 0.278 230 V C -0.852 175.172 176.094 -0.118 0.000 1.017 230 V CA -0.351 61.876 62.300 -0.121 0.000 0.823 230 V CB 0.215 31.980 31.823 -0.097 0.000 1.010 230 V HN 0.953 nan 8.190 nan 0.000 0.443 231 L N 4.473 125.626 121.223 -0.117 0.000 2.322 231 L HA 0.770 5.112 4.340 0.004 0.000 0.252 231 L C -0.358 176.459 176.870 -0.088 0.000 1.055 231 L CA -1.114 53.663 54.840 -0.105 0.000 0.849 231 L CB 1.732 43.706 42.059 -0.141 0.000 1.446 231 L HN 0.412 nan 8.230 nan 0.000 0.416 232 R N 0.555 121.007 120.500 -0.080 0.000 2.229 232 R HA 0.507 4.849 4.340 0.004 0.000 0.328 232 R C -1.516 174.745 176.300 -0.065 0.000 1.009 232 R CA -0.424 55.632 56.100 -0.073 0.000 0.864 232 R CB 1.098 31.347 30.300 -0.086 0.000 1.085 232 R HN 0.727 nan 8.270 nan 0.000 0.453 233 Y N 0.669 120.852 120.300 -0.194 0.000 2.621 233 Y HA 0.695 5.248 4.550 0.004 0.000 0.334 233 Y C -0.236 175.573 175.900 -0.151 0.000 1.074 233 Y CA -0.623 57.357 58.100 -0.199 0.000 1.149 233 Y CB 2.467 40.810 38.460 -0.195 0.000 1.302 233 Y HN 0.685 nan 8.280 nan 0.000 0.501 234 G N 3.624 111.856 108.800 -0.947 0.000 2.503 234 G HA2 0.365 4.327 3.960 0.004 0.000 0.305 234 G HA3 0.365 4.327 3.960 0.004 0.000 0.305 234 G C -2.844 171.647 174.900 -0.680 0.000 1.575 234 G CA -0.813 43.932 45.100 -0.593 0.000 0.890 234 G HN 0.657 nan 8.290 nan 0.000 0.612 235 L N 2.383 123.394 121.223 -0.353 0.000 2.296 235 L HA 0.605 4.947 4.340 0.004 0.000 0.286 235 L C -1.116 175.722 176.870 -0.054 0.000 1.023 235 L CA -0.494 54.249 54.840 -0.161 0.000 0.812 235 L CB 1.621 43.685 42.059 0.008 0.000 1.223 235 L HN 0.569 nan 8.230 nan 0.000 0.421 236 D N 2.915 123.312 120.400 -0.004 0.000 2.443 236 D HA 0.176 4.819 4.640 0.004 0.000 0.221 236 D C 0.878 177.215 176.300 0.062 0.000 1.097 236 D CA -0.097 53.932 54.000 0.048 0.000 0.865 236 D CB 1.403 42.273 40.800 0.118 0.000 1.034 236 D HN 0.597 nan 8.370 nan 0.000 0.511 237 S N 2.987 118.717 115.700 0.051 0.000 2.370 237 S HA -0.202 4.270 4.470 0.004 0.000 0.226 237 S C 1.059 175.691 174.600 0.053 0.000 1.033 237 S CA 1.371 59.601 58.200 0.050 0.000 1.011 237 S CB 0.015 63.241 63.200 0.042 0.000 0.852 237 S HN 0.589 nan 8.310 nan 0.000 0.457 238 D N 1.714 122.149 120.400 0.058 0.000 2.078 238 D HA -0.045 4.597 4.640 0.004 0.000 0.193 238 D C 1.685 178.018 176.300 0.055 0.000 0.990 238 D CA 0.676 54.708 54.000 0.053 0.000 0.827 238 D CB -0.308 40.527 40.800 0.058 0.000 0.975 238 D HN 0.162 nan 8.370 nan 0.000 0.451 239 L N 0.167 121.436 121.223 0.076 0.000 2.275 239 L HA -0.010 4.333 4.340 0.004 0.000 0.215 239 L C 0.930 177.848 176.870 0.080 0.000 1.119 239 L CA 1.047 55.932 54.840 0.076 0.000 0.790 239 L CB -1.271 40.862 42.059 0.123 0.000 0.919 239 L HN 0.156 nan 8.230 nan 0.000 0.443 240 S N -0.637 115.110 115.700 0.079 0.000 3.884 240 S HA -0.169 4.304 4.470 0.004 0.000 0.374 240 S C 0.052 174.707 174.600 0.093 0.000 0.971 240 S CA 0.432 58.676 58.200 0.073 0.000 1.152 240 S CB -1.693 61.541 63.200 0.057 0.000 0.877 240 S HN 0.648 nan 8.310 nan 0.000 0.491 241 C N 0.445 119.811 119.300 0.111 0.000 3.288 241 C HA 0.790 5.253 4.460 0.004 0.000 0.318 241 C C -0.781 174.275 174.990 0.110 0.000 1.356 241 C CA -1.167 57.933 59.018 0.137 0.000 1.359 241 C CB 1.709 29.575 27.740 0.210 0.000 1.688 241 C HN 0.624 nan 8.230 nan 0.000 0.467 242 K N 1.903 122.380 120.400 0.127 0.000 2.240 242 K HA 0.645 4.967 4.320 0.004 0.000 0.271 242 K C -0.888 175.814 176.600 0.171 0.000 1.018 242 K CA -0.128 56.224 56.287 0.109 0.000 0.874 242 K CB 1.268 33.934 32.500 0.277 0.000 1.098 242 K HN 0.632 nan 8.250 nan 0.000 0.458 243 I N 2.575 123.069 120.570 -0.127 0.000 2.336 243 I HA 0.388 4.561 4.170 0.004 0.000 0.292 243 I C -0.172 175.741 176.117 -0.340 0.000 0.991 243 I CA -0.545 60.615 61.300 -0.234 0.000 1.227 243 I CB 1.678 39.454 38.000 -0.372 0.000 1.366 243 I HN 0.607 nan 8.210 nan 0.000 0.466 244 A N 6.037 128.681 122.820 -0.294 0.000 2.435 244 A HA 0.673 4.996 4.320 0.004 0.000 0.304 244 A C -1.043 176.475 177.584 -0.109 0.000 1.064 244 A CA -0.566 51.237 52.037 -0.389 0.000 0.727 244 A CB 1.995 20.348 19.000 -1.078 0.000 1.284 244 A HN 0.696 nan 8.150 nan 0.000 0.415 245 Q N 1.372 121.116 119.800 -0.093 0.000 2.310 245 Q HA 0.622 4.965 4.340 0.004 0.000 0.270 245 Q C -2.205 173.820 176.000 0.042 0.000 1.025 245 Q CA -0.634 55.157 55.803 -0.020 0.000 0.772 245 Q CB 1.555 30.252 28.738 -0.068 0.000 1.253 245 Q HN 0.641 nan 8.270 nan 0.000 0.450 246 L N 6.639 127.954 121.223 0.154 0.000 2.322 246 L HA 0.642 4.984 4.340 0.004 0.000 0.281 246 L C -2.381 174.644 176.870 0.258 0.000 1.014 246 L CA -1.918 53.046 54.840 0.207 0.000 0.815 246 L CB 1.834 44.082 42.059 0.314 0.000 1.247 246 L HN 0.571 nan 8.230 nan 0.000 0.421 247 P HA 0.300 nan 4.420 nan 0.000 0.281 247 P C -1.455 175.998 177.300 0.255 0.000 1.249 247 P CA -0.494 62.718 63.100 0.186 0.000 0.810 247 P CB 1.627 33.393 31.700 0.110 0.000 1.008 248 L N 1.566 122.887 121.223 0.163 0.000 2.323 248 L HA 0.407 4.750 4.340 0.004 0.000 0.265 248 L C 1.117 178.042 176.870 0.092 0.000 1.012 248 L CA -0.539 54.364 54.840 0.104 0.000 0.820 248 L CB 1.502 43.603 42.059 0.069 0.000 1.334 248 L HN 0.461 nan 8.230 nan 0.000 0.427 249 T N -2.394 112.199 114.554 0.064 0.000 2.926 249 T HA 0.451 4.804 4.350 0.004 0.000 0.307 249 T C 0.917 175.658 174.700 0.068 0.000 1.059 249 T CA 0.330 62.464 62.100 0.057 0.000 1.122 249 T CB 1.198 70.086 68.868 0.034 0.000 0.972 249 T HN 1.110 nan 8.240 nan 0.000 0.545 250 G N 0.695 109.533 108.800 0.064 0.000 2.130 250 G HA2 -0.125 3.838 3.960 0.004 0.000 0.216 250 G HA3 -0.125 3.838 3.960 0.004 0.000 0.216 250 G C 0.329 175.279 174.900 0.084 0.000 0.999 250 G CA 0.344 45.488 45.100 0.073 0.000 0.686 250 G HN 2.055 nan 8.290 nan 0.000 0.515 251 S N -1.683 114.063 115.700 0.076 0.000 3.697 251 S HA -0.176 4.296 4.470 0.004 0.000 0.388 251 S C 0.452 175.107 174.600 0.092 0.000 0.941 251 S CA 1.977 60.224 58.200 0.078 0.000 1.247 251 S CB -1.254 61.990 63.200 0.072 0.000 0.904 251 S HN 1.113 nan 8.310 nan 0.000 0.518 252 M N 1.525 121.184 119.600 0.099 0.000 2.631 252 M HA 0.631 5.113 4.480 0.004 0.000 0.288 252 M C -0.257 176.103 176.300 0.101 0.000 1.260 252 M CA -0.529 54.834 55.300 0.105 0.000 0.842 252 M CB 2.696 35.373 32.600 0.128 0.000 1.743 252 M HN 0.539 nan 8.290 nan 0.000 0.461 253 S N 0.503 116.259 115.700 0.094 0.000 2.579 253 S HA 0.805 5.278 4.470 0.004 0.000 0.272 253 S C -1.270 173.384 174.600 0.089 0.000 1.141 253 S CA -0.896 57.362 58.200 0.097 0.000 0.843 253 S CB 1.699 64.939 63.200 0.066 0.000 1.122 253 S HN 0.660 nan 8.310 nan 0.000 0.468 254 I N 1.485 122.105 120.570 0.083 0.000 2.465 254 I HA 0.472 4.644 4.170 0.004 0.000 0.291 254 I C -0.999 175.007 176.117 -0.184 0.000 1.014 254 I CA -0.906 60.391 61.300 -0.005 0.000 1.093 254 I CB 1.719 39.715 38.000 -0.006 0.000 1.267 254 I HN 0.597 nan 8.210 nan 0.000 0.431 255 I N 6.184 126.660 120.570 -0.155 0.000 2.362 255 I HA 0.340 4.513 4.170 0.004 0.000 0.289 255 I C -0.887 175.121 176.117 -0.181 0.000 0.994 255 I CA -0.446 60.743 61.300 -0.185 0.000 1.158 255 I CB 1.081 39.029 38.000 -0.086 0.000 1.315 255 I HN 0.306 nan 8.210 nan 0.000 0.451 256 F N 5.788 125.789 119.950 0.084 0.000 2.404 256 F HA 0.465 4.995 4.527 0.004 0.000 0.339 256 F C -0.281 175.569 175.800 0.084 0.000 1.105 256 F CA -0.494 57.681 58.000 0.291 0.000 1.087 256 F CB 0.939 40.122 39.000 0.305 0.000 1.143 256 F HN 0.190 nan 8.300 nan 0.000 0.491 257 F N 4.125 124.388 119.950 0.522 0.000 2.366 257 F HA 0.409 4.938 4.527 0.004 0.000 0.366 257 F C -0.648 175.380 175.800 0.379 0.000 1.096 257 F CA -0.810 57.410 58.000 0.367 0.000 1.060 257 F CB 1.322 40.480 39.000 0.263 0.000 1.282 257 F HN 0.170 nan 8.300 nan 0.000 0.450 258 L N 7.705 129.176 121.223 0.412 0.000 2.277 258 L HA 0.590 4.933 4.340 0.004 0.000 0.284 258 L C -2.320 174.657 176.870 0.178 0.000 1.028 258 L CA -2.769 52.217 54.840 0.243 0.000 0.835 258 L CB 0.533 42.556 42.059 -0.060 0.000 1.215 258 L HN 0.161 nan 8.230 nan 0.000 0.425 259 P HA -0.015 nan 4.420 nan 0.000 0.270 259 P C 0.521 177.870 177.300 0.082 0.000 1.223 259 P CA -0.398 62.783 63.100 0.134 0.000 0.785 259 P CB 1.066 32.844 31.700 0.130 0.000 0.923 260 L N 0.890 122.155 121.223 0.069 0.000 1.988 260 L HA -0.014 4.328 4.340 0.004 0.000 0.207 260 L C 1.371 178.257 176.870 0.026 0.000 1.071 260 L CA 1.930 56.798 54.840 0.047 0.000 0.744 260 L CB -1.469 40.619 42.059 0.049 0.000 0.893 260 L HN 0.426 nan 8.230 nan 0.000 0.433 261 K N -0.727 119.688 120.400 0.025 0.000 2.118 261 K HA 0.367 4.689 4.320 0.004 0.000 0.267 261 K C -0.497 176.110 176.600 0.011 0.000 0.991 261 K CA -0.810 55.480 56.287 0.005 0.000 0.916 261 K CB 1.775 34.277 32.500 0.004 0.000 1.041 261 K HN -0.245 nan 8.250 nan 0.000 0.455 262 V N 1.953 121.859 119.914 -0.013 0.000 2.585 262 V HA 0.100 4.223 4.120 0.004 0.000 0.296 262 V C 0.443 176.551 176.094 0.024 0.000 1.035 262 V CA 0.547 62.849 62.300 0.003 0.000 1.084 262 V CB 0.752 32.555 31.823 -0.033 0.000 0.953 262 V HN 0.901 nan 8.190 nan 0.000 0.483 263 T N 3.454 118.039 114.554 0.052 0.000 2.770 263 T HA 0.267 4.620 4.350 0.004 0.000 0.323 263 T C -0.167 174.578 174.700 0.075 0.000 1.683 263 T CA -0.482 61.651 62.100 0.055 0.000 1.024 263 T CB 1.820 70.715 68.868 0.045 0.000 1.557 263 T HN 0.653 nan 8.240 nan 0.000 0.494 264 Q N 0.781 120.619 119.800 0.064 0.000 2.247 264 Q HA 0.203 4.546 4.340 0.004 0.000 0.211 264 Q C 0.064 176.093 176.000 0.049 0.000 0.861 264 Q CA -0.188 55.655 55.803 0.066 0.000 0.949 264 Q CB 0.348 29.120 28.738 0.057 0.000 1.115 264 Q HN 0.436 nan 8.270 nan 0.000 0.507 265 N N 1.166 119.891 118.700 0.042 0.000 2.469 265 N HA 0.106 4.848 4.740 0.004 0.000 0.239 265 N C -0.380 175.153 175.510 0.040 0.000 1.053 265 N CA 0.039 53.107 53.050 0.029 0.000 0.937 265 N CB 0.449 38.948 38.487 0.020 0.000 1.163 265 N HN 0.111 nan 8.380 nan 0.000 0.509 266 L N 2.306 123.553 121.223 0.039 0.000 3.014 266 L HA 0.206 4.549 4.340 0.004 0.000 0.263 266 L C 1.554 178.436 176.870 0.019 0.000 1.207 266 L CA -0.170 54.700 54.840 0.050 0.000 1.017 266 L CB 0.030 42.138 42.059 0.082 0.000 1.360 266 L HN 0.375 nan 8.230 nan 0.000 0.560 267 T N 0.982 115.536 114.554 0.000 0.000 2.570 267 T HA -0.263 4.090 4.350 0.004 0.000 0.266 267 T C 1.946 176.622 174.700 -0.039 0.000 1.071 267 T CA 1.869 63.955 62.100 -0.023 0.000 1.172 267 T CB -0.313 68.539 68.868 -0.026 0.000 0.864 267 T HN 0.260 nan 8.240 nan 0.000 0.421 268 L N 0.188 121.393 121.223 -0.030 0.000 2.051 268 L HA -0.171 4.172 4.340 0.004 0.000 0.214 268 L C 2.547 179.367 176.870 -0.084 0.000 1.076 268 L CA 1.433 56.246 54.840 -0.046 0.000 0.758 268 L CB -0.808 41.240 42.059 -0.019 0.000 0.890 268 L HN 0.313 nan 8.230 nan 0.000 0.433 269 I N -0.488 120.044 120.570 -0.064 0.000 2.163 269 I HA -0.249 3.924 4.170 0.004 0.000 0.240 269 I C 2.538 178.524 176.117 -0.217 0.000 1.081 269 I CA 1.341 62.571 61.300 -0.115 0.000 1.353 269 I CB -0.417 37.562 38.000 -0.035 0.000 1.054 269 I HN 0.281 nan 8.210 nan 0.000 0.407 270 E N 0.779 120.907 120.200 -0.120 0.000 2.085 270 E HA -0.236 4.117 4.350 0.004 0.000 0.194 270 E C 1.928 178.451 176.600 -0.129 0.000 0.994 270 E CA 1.091 57.452 56.400 -0.064 0.000 0.801 270 E CB -0.187 29.551 29.700 0.064 0.000 0.743 270 E HN 0.446 nan 8.360 nan 0.000 0.453 271 E N 0.404 120.522 120.200 -0.137 0.000 2.333 271 E HA -0.096 4.257 4.350 0.004 0.000 0.198 271 E C 1.876 178.328 176.600 -0.248 0.000 1.007 271 E CA 0.612 56.922 56.400 -0.149 0.000 0.845 271 E CB 0.030 29.662 29.700 -0.113 0.000 0.766 271 E HN 0.118 nan 8.360 nan 0.000 0.507 272 S N 0.273 115.737 115.700 -0.393 0.000 2.470 272 S HA 0.101 4.573 4.470 0.004 0.000 0.222 272 S C 1.034 175.152 174.600 -0.804 0.000 1.024 272 S CA -0.203 57.579 58.200 -0.696 0.000 0.931 272 S CB 0.151 62.735 63.200 -1.025 0.000 0.791 272 S HN 0.172 nan 8.310 nan 0.000 0.513 273 L N 3.807 124.652 121.223 -0.630 0.000 2.745 273 L HA 0.096 4.439 4.340 0.004 0.000 0.273 273 L C 0.684 177.064 176.870 -0.817 0.000 1.156 273 L CA -0.029 54.397 54.840 -0.690 0.000 0.982 273 L CB -0.772 40.925 42.059 -0.604 0.000 1.295 273 L HN 0.288 nan 8.230 nan 0.000 0.483 274 T N -2.014 112.115 114.554 -0.708 0.000 2.816 274 T HA 0.295 4.647 4.350 0.004 0.000 0.299 274 T C 0.679 175.209 174.700 -0.284 0.000 1.230 274 T CA -0.501 61.303 62.100 -0.493 0.000 1.007 274 T CB 1.583 70.344 68.868 -0.179 0.000 1.289 274 T HN 0.211 nan 8.240 nan 0.000 0.508 275 S N 0.662 116.350 115.700 -0.020 0.000 2.355 275 S HA -0.089 4.383 4.470 0.004 0.000 0.222 275 S C 2.013 176.750 174.600 0.228 0.000 1.031 275 S CA 1.363 59.656 58.200 0.156 0.000 0.993 275 S CB -0.363 62.869 63.200 0.052 0.000 0.859 275 S HN 0.850 nan 8.310 nan 0.000 0.453 276 E N 1.322 121.601 120.200 0.132 0.000 2.072 276 E HA -0.129 4.223 4.350 0.004 0.000 0.191 276 E C 1.805 178.578 176.600 0.288 0.000 0.985 276 E CA 0.795 57.376 56.400 0.301 0.000 0.801 276 E CB -0.817 28.988 29.700 0.175 0.000 0.750 276 E HN 0.592 nan 8.360 nan 0.000 0.452 277 F N 2.266 122.249 119.950 0.055 0.000 2.126 277 F HA -0.162 4.366 4.527 0.003 0.000 0.299 277 F C 2.129 177.963 175.800 0.056 0.000 1.096 277 F CA 1.214 59.230 58.000 0.027 0.000 1.255 277 F CB 0.006 38.976 39.000 -0.050 0.000 0.997 277 F HN -0.152 nan 8.300 nan 0.000 0.479 278 I N 0.235 120.894 120.570 0.148 0.000 2.361 278 I HA -0.275 3.897 4.170 0.004 0.000 0.251 278 I C 2.314 178.436 176.117 0.009 0.000 1.133 278 I CA 1.682 63.030 61.300 0.080 0.000 1.413 278 I CB -1.765 36.363 38.000 0.214 0.000 1.073 278 I HN 0.327 nan 8.210 nan 0.000 0.424 279 H N 1.585 120.661 119.070 0.011 0.000 2.389 279 H HA -0.133 4.425 4.556 0.004 0.000 0.299 279 H C 1.639 176.854 175.328 -0.188 0.000 1.081 279 H CA 1.831 57.822 56.048 -0.094 0.000 1.345 279 H CB 0.102 29.861 29.762 -0.004 0.000 1.393 279 H HN 0.228 nan 8.280 nan 0.000 0.520 280 D N 0.311 120.540 120.400 -0.284 0.000 2.103 280 D HA -0.110 4.532 4.640 0.004 0.000 0.199 280 D C 2.243 178.309 176.300 -0.390 0.000 0.978 280 D CA 0.750 54.534 54.000 -0.360 0.000 0.829 280 D CB -0.112 40.536 40.800 -0.253 0.000 0.981 280 D HN 0.337 nan 8.370 nan 0.000 0.464 281 I N 1.441 121.739 120.570 -0.455 0.000 2.264 281 I HA -0.223 3.950 4.170 0.004 0.000 0.248 281 I C 2.007 177.944 176.117 -0.299 0.000 1.111 281 I CA 1.223 62.284 61.300 -0.399 0.000 1.382 281 I CB -0.940 36.795 38.000 -0.440 0.000 1.060 281 I HN -0.021 nan 8.210 nan 0.000 0.418 282 D N 0.898 121.125 120.400 -0.287 0.000 2.123 282 D HA -0.183 4.459 4.640 0.004 0.000 0.196 282 D C 2.346 178.480 176.300 -0.277 0.000 0.992 282 D CA 1.411 55.259 54.000 -0.252 0.000 0.833 282 D CB 0.115 40.767 40.800 -0.246 0.000 0.954 282 D HN 0.296 nan 8.370 nan 0.000 0.455 283 R N -0.173 120.114 120.500 -0.355 0.000 2.140 283 R HA 0.115 4.458 4.340 0.004 0.000 0.213 283 R C 2.078 178.242 176.300 -0.228 0.000 1.059 283 R CA 0.603 56.519 56.100 -0.307 0.000 1.000 283 R CB -0.038 30.030 30.300 -0.388 0.000 0.910 283 R HN 0.271 nan 8.270 nan 0.000 0.455 284 E N 0.550 120.613 120.200 -0.229 0.000 2.418 284 E HA -0.045 4.308 4.350 0.004 0.000 0.197 284 E C -0.216 176.289 176.600 -0.159 0.000 1.026 284 E CA 0.102 56.395 56.400 -0.178 0.000 0.862 284 E CB 0.176 29.769 29.700 -0.178 0.000 0.799 284 E HN -0.009 nan 8.360 nan 0.000 0.518 285 L N 1.762 122.882 121.223 -0.173 0.000 2.456 285 L HA 0.036 4.378 4.340 0.004 0.000 0.272 285 L C 0.289 177.089 176.870 -0.116 0.000 1.189 285 L CA 0.717 55.466 54.840 -0.152 0.000 0.846 285 L CB 0.430 42.391 42.059 -0.164 0.000 1.111 285 L HN -0.187 nan 8.230 nan 0.000 0.475 286 K N 1.766 122.112 120.400 -0.090 0.000 2.270 286 K HA 0.408 4.731 4.320 0.004 0.000 0.255 286 K C -0.521 176.036 176.600 -0.071 0.000 0.936 286 K CA -0.619 55.619 56.287 -0.081 0.000 0.809 286 K CB 1.552 34.001 32.500 -0.085 0.000 1.131 286 K HN 0.483 nan 8.250 nan 0.000 0.427 287 T N 1.930 116.437 114.554 -0.078 0.000 2.834 287 T HA 0.304 4.657 4.350 0.004 0.000 0.298 287 T C 0.284 174.927 174.700 -0.096 0.000 0.966 287 T CA -0.235 61.818 62.100 -0.078 0.000 1.141 287 T CB 0.363 69.190 68.868 -0.069 0.000 0.905 287 T HN 0.198 nan 8.240 nan 0.000 0.535 288 V N 2.527 122.378 119.914 -0.105 0.000 3.156 288 V HA 0.510 4.633 4.120 0.004 0.000 0.310 288 V C -0.539 175.483 176.094 -0.120 0.000 1.234 288 V CA -1.141 61.075 62.300 -0.138 0.000 1.065 288 V CB 2.343 34.033 31.823 -0.220 0.000 1.088 288 V HN 0.730 nan 8.190 nan 0.000 0.451 289 Q N 0.336 120.071 119.800 -0.108 0.000 2.312 289 Q HA 0.793 5.135 4.340 0.004 0.000 0.263 289 Q C -0.939 174.995 176.000 -0.110 0.000 0.995 289 Q CA -0.390 55.356 55.803 -0.094 0.000 0.853 289 Q CB 2.003 30.706 28.738 -0.058 0.000 1.300 289 Q HN 1.061 nan 8.270 nan 0.000 0.448 290 A N 2.485 125.233 122.820 -0.121 0.000 2.593 290 A HA 0.585 4.908 4.320 0.004 0.000 0.290 290 A C -1.534 175.979 177.584 -0.118 0.000 1.126 290 A CA -0.560 51.404 52.037 -0.122 0.000 0.695 290 A CB 1.711 20.620 19.000 -0.151 0.000 1.290 290 A HN 0.473 nan 8.150 nan 0.000 0.414 291 V N 1.503 121.347 119.914 -0.117 0.000 2.334 291 V HA 0.395 4.517 4.120 0.004 0.000 0.267 291 V C -0.602 175.324 176.094 -0.280 0.000 1.040 291 V CA -0.088 62.130 62.300 -0.137 0.000 0.866 291 V CB 0.493 32.285 31.823 -0.052 0.000 1.019 291 V HN 0.666 nan 8.190 nan 0.000 0.468 292 L N 6.297 127.391 121.223 -0.214 0.000 2.307 292 L HA 0.800 5.143 4.340 0.004 0.000 0.284 292 L C 0.254 177.027 176.870 -0.161 0.000 1.023 292 L CA 0.341 55.050 54.840 -0.217 0.000 0.810 292 L CB 2.121 44.087 42.059 -0.156 0.000 1.231 292 L HN 0.742 nan 8.230 nan 0.000 0.423 293 T N 2.375 116.805 114.554 -0.206 0.000 2.890 293 T HA 0.596 4.949 4.350 0.004 0.000 0.295 293 T C -0.893 173.719 174.700 -0.146 0.000 0.993 293 T CA -0.703 61.340 62.100 -0.095 0.000 0.979 293 T CB 1.181 70.074 68.868 0.042 0.000 0.967 293 T HN 0.524 nan 8.240 nan 0.000 0.441 294 V N 4.870 124.665 119.914 -0.197 0.000 2.588 294 V HA 0.710 4.833 4.120 0.004 0.000 0.304 294 V C -2.603 173.471 176.094 -0.033 0.000 1.042 294 V CA -2.682 59.491 62.300 -0.212 0.000 0.877 294 V CB 2.181 33.734 31.823 -0.450 0.000 0.996 294 V HN 0.791 nan 8.190 nan 0.000 0.425 295 P HA 0.153 nan 4.420 nan 0.000 0.269 295 P C -1.002 176.505 177.300 0.345 0.000 1.215 295 P CA -0.194 63.045 63.100 0.233 0.000 0.780 295 P CB 0.561 32.435 31.700 0.290 0.000 0.898 296 K N 1.751 122.276 120.400 0.208 0.000 2.298 296 K HA 0.319 4.642 4.320 0.004 0.000 0.280 296 K C -0.180 176.481 176.600 0.101 0.000 1.032 296 K CA -0.446 55.975 56.287 0.225 0.000 0.958 296 K CB 0.194 32.756 32.500 0.103 0.000 0.978 296 K HN 0.388 nan 8.250 nan 0.000 0.472 297 L N 2.449 123.615 121.223 -0.094 0.000 2.410 297 L HA 0.358 4.701 4.340 0.004 0.000 0.270 297 L C -0.757 175.926 176.870 -0.312 0.000 0.983 297 L CA -0.142 54.482 54.840 -0.359 0.000 0.822 297 L CB 1.568 43.101 42.059 -0.877 0.000 1.285 297 L HN 0.543 nan 8.230 nan 0.000 0.409 298 K N 5.458 125.758 120.400 -0.168 0.000 2.716 298 K HA 0.645 4.968 4.320 0.004 0.000 0.249 298 K C -2.013 174.564 176.600 -0.038 0.000 1.004 298 K CA -0.351 55.874 56.287 -0.105 0.000 0.968 298 K CB 0.739 33.204 32.500 -0.059 0.000 1.214 298 K HN 0.575 nan 8.250 nan 0.000 0.476 299 L N 1.731 122.960 121.223 0.010 0.000 2.333 299 L HA 0.642 4.985 4.340 0.004 0.000 0.263 299 L C -0.418 176.536 176.870 0.139 0.000 1.014 299 L CA -0.972 53.914 54.840 0.077 0.000 0.820 299 L CB 2.264 44.384 42.059 0.101 0.000 1.352 299 L HN 0.713 nan 8.230 nan 0.000 0.421 300 S N -0.088 115.705 115.700 0.155 0.000 2.579 300 S HA 0.763 5.236 4.470 0.004 0.000 0.272 300 S C -1.602 173.143 174.600 0.241 0.000 1.141 300 S CA -0.745 57.567 58.200 0.187 0.000 0.843 300 S CB 2.315 65.587 63.200 0.120 0.000 1.122 300 S HN 0.593 nan 8.310 nan 0.000 0.468 301 Y N 0.200 120.550 120.300 0.084 0.000 2.482 301 Y HA 0.653 5.206 4.550 0.005 0.000 0.334 301 Y C -1.592 174.323 175.900 0.025 0.000 1.091 301 Y CA -0.525 57.612 58.100 0.062 0.000 1.027 301 Y CB 1.764 40.277 38.460 0.089 0.000 1.306 301 Y HN 1.012 nan 8.280 nan 0.000 0.446 302 E N 4.424 124.112 120.200 -0.854 0.000 2.432 302 E HA 0.607 4.960 4.350 0.004 0.000 0.272 302 E C -1.148 174.954 176.600 -0.830 0.000 0.937 302 E CA -0.345 55.647 56.400 -0.680 0.000 0.812 302 E CB 0.920 30.454 29.700 -0.276 0.000 1.377 302 E HN 1.025 nan 8.360 nan 0.000 0.399 303 G N 2.705 110.982 108.800 -0.872 0.000 2.815 303 G HA2 0.340 4.303 3.960 0.004 0.000 0.305 303 G HA3 0.340 4.303 3.960 0.004 0.000 0.305 303 G C -1.390 173.495 174.900 -0.024 0.000 1.277 303 G CA -0.615 44.276 45.100 -0.348 0.000 0.795 303 G HN 0.380 nan 8.290 nan 0.000 0.528 304 E N -0.822 119.436 120.200 0.097 0.000 2.210 304 E HA 0.464 4.816 4.350 0.004 0.000 0.266 304 E C 0.026 176.718 176.600 0.152 0.000 0.883 304 E CA -0.798 55.671 56.400 0.114 0.000 0.761 304 E CB 2.017 31.758 29.700 0.068 0.000 1.156 304 E HN 0.575 nan 8.360 nan 0.000 0.412 305 V N 1.486 121.492 119.914 0.153 0.000 3.043 305 V HA 0.143 4.265 4.120 0.004 0.000 0.357 305 V C 1.110 177.259 176.094 0.092 0.000 1.372 305 V CA 0.525 62.893 62.300 0.113 0.000 1.214 305 V CB -0.405 31.479 31.823 0.103 0.000 1.224 305 V HN 0.765 nan 8.190 nan 0.000 0.507 306 T N -1.720 112.886 114.554 0.088 0.000 2.857 306 T HA -0.081 4.271 4.350 0.004 0.000 0.266 306 T C 1.679 176.300 174.700 -0.132 0.000 1.048 306 T CA 1.482 63.625 62.100 0.072 0.000 1.139 306 T CB -0.358 68.572 68.868 0.102 0.000 0.874 306 T HN 0.532 nan 8.240 nan 0.000 0.455 307 K N 1.137 121.475 120.400 -0.103 0.000 2.148 307 K HA 0.052 4.375 4.320 0.004 0.000 0.204 307 K C 2.750 179.285 176.600 -0.109 0.000 1.050 307 K CA 1.290 57.493 56.287 -0.139 0.000 0.942 307 K CB -0.112 32.336 32.500 -0.086 0.000 0.724 307 K HN 0.345 nan 8.250 nan 0.000 0.446 308 S N 1.670 117.333 115.700 -0.062 0.000 2.345 308 S HA -0.061 4.411 4.470 0.004 0.000 0.220 308 S C 1.953 176.532 174.600 -0.035 0.000 1.031 308 S CA 0.983 59.149 58.200 -0.057 0.000 0.996 308 S CB -0.272 62.895 63.200 -0.055 0.000 0.882 308 S HN 0.170 nan 8.310 nan 0.000 0.445 309 L N 1.443 122.677 121.223 0.018 0.000 2.131 309 L HA -0.171 4.171 4.340 0.004 0.000 0.210 309 L C 2.715 179.619 176.870 0.057 0.000 1.092 309 L CA 1.136 56.038 54.840 0.104 0.000 0.759 309 L CB -0.622 41.586 42.059 0.247 0.000 0.903 309 L HN 0.361 nan 8.230 nan 0.000 0.435 310 Q N 0.393 120.133 119.800 -0.100 0.000 2.124 310 Q HA -0.199 4.144 4.340 0.004 0.000 0.202 310 Q C 1.048 177.005 176.000 -0.072 0.000 0.977 310 Q CA 1.540 57.240 55.803 -0.171 0.000 0.850 310 Q CB 0.014 28.532 28.738 -0.367 0.000 0.901 310 Q HN 0.629 nan 8.270 nan 0.000 0.429 311 E N -0.619 119.544 120.200 -0.063 0.000 2.411 311 E HA 0.143 4.496 4.350 0.004 0.000 0.228 311 E C 0.154 176.741 176.600 -0.022 0.000 1.169 311 E CA -0.115 56.259 56.400 -0.043 0.000 1.421 311 E CB 0.202 29.869 29.700 -0.055 0.000 1.333 311 E HN 0.226 nan 8.360 nan 0.000 0.434 312 M N 1.288 120.892 119.600 0.006 0.000 3.002 312 M HA 0.201 4.684 4.480 0.004 0.000 0.398 312 M C -0.577 175.749 176.300 0.043 0.000 1.366 312 M CA -0.293 55.023 55.300 0.027 0.000 0.824 312 M CB 0.407 33.039 32.600 0.053 0.000 1.414 312 M HN 0.051 nan 8.290 nan 0.000 0.501 313 K N 0.545 120.960 120.400 0.025 0.000 3.077 313 K HA -0.186 4.137 4.320 0.004 0.000 0.264 313 K C -0.112 176.514 176.600 0.043 0.000 1.008 313 K CA 0.279 56.578 56.287 0.021 0.000 0.740 313 K CB -0.870 31.630 32.500 0.000 0.000 1.273 313 K HN 0.305 nan 8.250 nan 0.000 0.477 314 L N 0.142 121.414 121.223 0.082 0.000 3.298 314 L HA 0.101 4.444 4.340 0.004 0.000 0.296 314 L C 1.647 178.651 176.870 0.224 0.000 1.237 314 L CA 0.417 55.340 54.840 0.138 0.000 1.038 314 L CB 0.593 42.765 42.059 0.188 0.000 1.423 314 L HN 0.111 nan 8.230 nan 0.000 0.605 315 Q N -0.364 119.526 119.800 0.150 0.000 2.096 315 Q HA -0.203 4.140 4.340 0.004 0.000 0.204 315 Q C 2.212 178.343 176.000 0.218 0.000 0.982 315 Q CA 1.768 57.674 55.803 0.172 0.000 0.850 315 Q CB -0.165 28.608 28.738 0.057 0.000 0.901 315 Q HN 0.503 nan 8.270 nan 0.000 0.422 316 S N 0.072 115.840 115.700 0.114 0.000 2.413 316 S HA -0.176 4.296 4.470 0.004 0.000 0.237 316 S C 1.738 176.370 174.600 0.053 0.000 1.044 316 S CA 0.992 59.227 58.200 0.058 0.000 1.024 316 S CB 0.004 63.205 63.200 0.003 0.000 0.829 316 S HN 0.238 nan 8.310 nan 0.000 0.475 317 L N 0.006 121.276 121.223 0.079 0.000 2.217 317 L HA 0.230 4.573 4.340 0.004 0.000 0.211 317 L C 1.741 178.546 176.870 -0.109 0.000 1.107 317 L CA 1.369 56.190 54.840 -0.032 0.000 0.783 317 L CB -0.998 40.995 42.059 -0.110 0.000 0.919 317 L HN 0.365 nan 8.230 nan 0.000 0.442 318 F N -1.079 118.898 119.950 0.044 0.000 2.743 318 F HA 0.031 4.561 4.527 0.004 0.000 0.297 318 F C 1.960 177.776 175.800 0.027 0.000 1.131 318 F CA 0.175 58.198 58.000 0.038 0.000 1.426 318 F CB -0.232 38.783 39.000 0.024 0.000 1.116 318 F HN 0.138 nan 8.300 nan 0.000 0.583 319 D N 0.124 120.631 120.400 0.178 0.000 2.237 319 D HA -0.018 4.625 4.640 0.004 0.000 0.267 319 D C 0.532 176.863 176.300 0.052 0.000 1.226 319 D CA 1.124 55.183 54.000 0.098 0.000 0.947 319 D CB 0.096 40.937 40.800 0.069 0.000 0.941 319 D HN -0.070 nan 8.370 nan 0.000 0.333 320 S N 0.391 116.101 115.700 0.017 0.000 2.112 320 S HA 0.485 4.958 4.470 0.004 0.000 0.151 320 S C -2.584 171.981 174.600 -0.058 0.000 1.723 320 S CA -1.139 57.056 58.200 -0.009 0.000 1.263 320 S CB 1.078 64.270 63.200 -0.014 0.000 1.194 320 S HN 0.228 nan 8.310 nan 0.000 0.419 321 P HA 0.438 nan 4.420 nan 0.000 0.279 321 P C -1.152 175.966 177.300 -0.304 0.000 1.282 321 P CA -0.165 62.786 63.100 -0.248 0.000 0.788 321 P CB 0.651 32.160 31.700 -0.318 0.000 1.139 322 D N -0.178 119.921 120.400 -0.502 0.000 2.462 322 D HA 0.281 4.923 4.640 0.004 0.000 0.245 322 D C -1.162 174.819 176.300 -0.532 0.000 1.122 322 D CA -0.507 53.272 54.000 -0.369 0.000 0.864 322 D CB -0.170 40.481 40.800 -0.249 0.000 1.098 322 D HN 0.053 nan 8.370 nan 0.000 0.541 323 F N 1.511 121.389 119.950 -0.120 0.000 2.791 323 F HA 0.092 4.622 4.527 0.004 0.000 0.308 323 F C 2.136 177.829 175.800 -0.179 0.000 1.138 323 F CA -0.336 57.565 58.000 -0.165 0.000 1.294 323 F CB 0.178 39.064 39.000 -0.191 0.000 0.975 323 F HN 0.282 nan 8.300 nan 0.000 0.512 324 S N -0.973 114.714 115.700 -0.022 0.000 2.488 324 S HA -0.235 4.237 4.470 0.004 0.000 0.246 324 S C 1.742 176.313 174.600 -0.049 0.000 0.992 324 S CA 1.087 59.261 58.200 -0.043 0.000 0.963 324 S CB -0.368 62.803 63.200 -0.050 0.000 0.754 324 S HN 0.457 nan 8.310 nan 0.000 0.519 325 K N 0.228 120.602 120.400 -0.044 0.000 2.418 325 K HA 0.306 4.628 4.320 0.004 0.000 0.195 325 K C 1.484 178.024 176.600 -0.100 0.000 1.035 325 K CA 0.469 56.735 56.287 -0.035 0.000 1.003 325 K CB -0.061 32.444 32.500 0.007 0.000 0.793 325 K HN 0.467 nan 8.250 nan 0.000 0.494 326 I N -0.751 119.681 120.570 -0.229 0.000 2.810 326 I HA -0.034 4.138 4.170 0.004 0.000 0.262 326 I C 0.938 176.878 176.117 -0.295 0.000 1.131 326 I CA 0.535 61.568 61.300 -0.446 0.000 1.453 326 I CB 0.892 38.451 38.000 -0.734 0.000 1.161 326 I HN -0.049 nan 8.210 nan 0.000 0.444 327 T N -1.558 112.861 114.554 -0.224 0.000 2.830 327 T HA 0.380 4.733 4.350 0.004 0.000 0.322 327 T C 0.410 175.043 174.700 -0.110 0.000 1.501 327 T CA -0.046 61.946 62.100 -0.179 0.000 1.036 327 T CB 1.447 70.162 68.868 -0.254 0.000 1.379 327 T HN 0.174 nan 8.240 nan 0.000 0.493 328 G N 1.237 109.985 108.800 -0.086 0.000 2.430 328 G HA2 0.086 4.048 3.960 0.004 0.000 0.216 328 G HA3 0.086 4.048 3.960 0.004 0.000 0.216 328 G C 0.598 175.464 174.900 -0.056 0.000 1.146 328 G CA 0.441 45.505 45.100 -0.060 0.000 0.793 328 G HN 0.759 nan 8.290 nan 0.000 0.537 329 K N 1.352 121.712 120.400 -0.067 0.000 2.355 329 K HA 0.210 4.532 4.320 0.004 0.000 0.270 329 K C -2.570 174.004 176.600 -0.044 0.000 1.003 329 K CA -1.328 54.927 56.287 -0.054 0.000 0.957 329 K CB 0.704 33.167 32.500 -0.061 0.000 0.939 329 K HN -0.066 nan 8.250 nan 0.000 0.482 330 P HA 0.133 nan 4.420 nan 0.000 0.281 330 P C -0.967 176.337 177.300 0.007 0.000 1.286 330 P CA -0.086 63.010 63.100 -0.006 0.000 0.772 330 P CB 0.285 31.981 31.700 -0.007 0.000 0.862 331 I N 0.646 121.240 120.570 0.039 0.000 2.740 331 I HA 0.738 4.910 4.170 0.004 0.000 0.303 331 I C -0.591 175.598 176.117 0.120 0.000 1.044 331 I CA -1.291 60.035 61.300 0.044 0.000 1.064 331 I CB 2.728 40.722 38.000 -0.010 0.000 1.249 331 I HN 0.211 nan 8.210 nan 0.000 0.433 332 K N 3.867 124.309 120.400 0.069 0.000 2.482 332 K HA 0.559 4.881 4.320 0.004 0.000 0.257 332 K C -1.347 175.226 176.600 -0.045 0.000 0.969 332 K CA -1.029 55.305 56.287 0.078 0.000 0.842 332 K CB 2.332 34.864 32.500 0.052 0.000 1.359 332 K HN 0.570 nan 8.250 nan 0.000 0.441 333 L N 2.194 123.325 121.223 -0.153 0.000 2.500 333 L HA 0.076 4.418 4.340 0.004 0.000 0.272 333 L C 0.937 177.574 176.870 -0.388 0.000 1.149 333 L CA 0.993 55.586 54.840 -0.412 0.000 0.897 333 L CB 0.789 42.392 42.059 -0.760 0.000 1.178 333 L HN 1.009 nan 8.230 nan 0.000 0.473 334 T N 3.568 118.030 114.554 -0.154 0.000 3.021 334 T HA 0.181 4.533 4.350 0.004 0.000 0.245 334 T C 0.211 175.026 174.700 0.191 0.000 1.028 334 T CA 0.726 62.859 62.100 0.054 0.000 1.139 334 T CB 0.120 69.006 68.868 0.030 0.000 0.884 334 T HN 0.752 nan 8.240 nan 0.000 0.457 335 Q N 0.199 120.057 119.800 0.097 0.000 2.472 335 Q HA 0.567 4.909 4.340 0.004 0.000 0.281 335 Q C -2.066 173.985 176.000 0.085 0.000 0.997 335 Q CA -0.921 54.978 55.803 0.159 0.000 0.828 335 Q CB 2.032 30.827 28.738 0.095 0.000 1.443 335 Q HN 0.103 nan 8.270 nan 0.000 0.390 336 V N 0.793 120.786 119.914 0.131 0.000 2.447 336 V HA 0.408 4.530 4.120 0.004 0.000 0.292 336 V C -0.580 175.579 176.094 0.108 0.000 1.021 336 V CA -0.529 61.829 62.300 0.097 0.000 0.850 336 V CB 1.511 33.418 31.823 0.141 0.000 1.005 336 V HN 0.803 nan 8.190 nan 0.000 0.426 337 E N 2.703 122.955 120.200 0.087 0.000 2.191 337 E HA 0.568 4.921 4.350 0.004 0.000 0.274 337 E C -1.518 175.195 176.600 0.188 0.000 0.948 337 E CA -0.765 55.698 56.400 0.106 0.000 0.802 337 E CB 1.626 31.355 29.700 0.048 0.000 1.137 337 E HN 0.789 nan 8.360 nan 0.000 0.397 338 H N 3.083 122.200 119.070 0.078 0.000 2.589 338 H HA 0.433 4.991 4.556 0.004 0.000 0.351 338 H C -1.288 174.084 175.328 0.073 0.000 1.074 338 H CA -0.676 55.448 56.048 0.127 0.000 1.203 338 H CB 0.806 30.709 29.762 0.235 0.000 1.558 338 H HN 0.345 nan 8.280 nan 0.000 0.522 339 R N 3.647 123.961 120.500 -0.310 0.000 2.451 339 R HA 0.748 5.090 4.340 0.004 0.000 0.307 339 R C -1.381 174.753 176.300 -0.277 0.000 0.965 339 R CA -0.924 55.030 56.100 -0.242 0.000 0.865 339 R CB 1.962 32.225 30.300 -0.061 0.000 1.174 339 R HN 0.645 nan 8.270 nan 0.000 0.455 340 A N 1.234 123.982 122.820 -0.119 0.000 2.454 340 A HA 0.874 5.197 4.320 0.004 0.000 0.302 340 A C -0.703 177.082 177.584 0.335 0.000 1.079 340 A CA -0.822 51.304 52.037 0.149 0.000 0.731 340 A CB 2.265 21.384 19.000 0.197 0.000 1.299 340 A HN 0.700 nan 8.150 nan 0.000 0.413 341 G N 0.087 109.177 108.800 0.483 0.000 2.744 341 G HA2 0.569 4.532 3.960 0.004 0.000 0.286 341 G HA3 0.569 4.532 3.960 0.004 0.000 0.286 341 G C -1.570 173.454 174.900 0.208 0.000 1.497 341 G CA -0.260 45.070 45.100 0.384 0.000 1.070 341 G HN 0.789 nan 8.290 nan 0.000 0.539 342 F N 1.848 121.743 119.950 -0.092 0.000 2.540 342 F HA 0.799 5.329 4.527 0.004 0.000 0.317 342 F C -0.318 175.328 175.800 -0.257 0.000 1.104 342 F CA -0.729 57.051 58.000 -0.367 0.000 0.913 342 F CB 2.297 40.979 39.000 -0.531 0.000 1.170 342 F HN 0.534 nan 8.300 nan 0.000 0.450 343 E N 5.207 124.811 120.200 -0.993 0.000 2.375 343 E HA 0.465 4.818 4.350 0.004 0.000 0.280 343 E C -2.317 173.926 176.600 -0.594 0.000 0.972 343 E CA -0.683 55.324 56.400 -0.655 0.000 0.782 343 E CB 1.922 31.437 29.700 -0.308 0.000 1.229 343 E HN 0.620 nan 8.360 nan 0.000 0.439 344 W N 3.481 124.577 121.300 -0.339 0.000 3.137 344 W HA 0.605 5.267 4.660 0.004 0.000 0.324 344 W C -1.444 175.056 176.519 -0.031 0.000 1.253 344 W CA -0.734 56.477 57.345 -0.223 0.000 1.183 344 W CB -0.413 28.952 29.460 -0.159 0.000 1.424 344 W HN 0.835 nan 8.180 nan 0.000 0.566 345 N N -0.847 118.112 118.700 0.431 0.000 3.526 345 N HA 0.175 4.917 4.740 0.004 0.000 0.328 345 N C 0.400 176.113 175.510 0.337 0.000 1.601 345 N CA -0.547 52.695 53.050 0.319 0.000 0.834 345 N CB 1.023 39.611 38.487 0.169 0.000 1.983 345 N HN 0.471 nan 8.380 nan 0.000 0.579 346 E N 0.374 120.701 120.200 0.211 0.000 2.153 346 E HA -0.117 4.235 4.350 0.004 0.000 0.194 346 E C -0.551 176.280 176.600 0.385 0.000 0.988 346 E CA 1.044 57.618 56.400 0.289 0.000 0.811 346 E CB -0.673 29.143 29.700 0.194 0.000 0.746 346 E HN 0.460 nan 8.360 nan 0.000 0.466 347 D N 1.967 122.526 120.400 0.264 0.000 2.586 347 D HA 0.161 4.804 4.640 0.004 0.000 0.234 347 D C 0.445 176.910 176.300 0.276 0.000 1.132 347 D CA 1.074 55.194 54.000 0.199 0.000 0.860 347 D CB 0.790 41.645 40.800 0.091 0.000 1.159 347 D HN 0.241 nan 8.370 nan 0.000 0.490 348 G N -0.289 108.639 108.800 0.213 0.000 2.866 348 G HA2 0.544 4.506 3.960 0.004 0.000 0.289 348 G HA3 0.544 4.506 3.960 0.004 0.000 0.289 348 G C 0.326 175.290 174.900 0.108 0.000 1.396 348 G CA -0.050 45.178 45.100 0.214 0.000 0.848 348 G HN 0.409 nan 8.290 nan 0.000 0.515 349 A N -1.199 121.675 122.820 0.090 0.000 1.843 349 A HA 0.636 4.958 4.320 0.004 0.000 0.213 349 A C 1.483 179.089 177.584 0.036 0.000 1.239 349 A CA 2.237 54.305 52.037 0.052 0.000 0.606 349 A CB -0.781 18.247 19.000 0.047 0.000 0.903 349 A HN 1.675 nan 8.150 nan 0.000 0.455 350 G N -2.487 106.329 108.800 0.027 0.000 3.310 350 G HA2 0.524 4.486 3.960 0.004 0.000 0.174 350 G HA3 0.524 4.486 3.960 0.004 0.000 0.174 350 G C -1.022 173.873 174.900 -0.009 0.000 1.097 350 G CA 0.561 45.666 45.100 0.009 0.000 0.795 350 G HN 0.528 nan 8.290 nan 0.000 0.670 351 T N 0.379 114.919 114.554 -0.024 0.000 3.193 351 T HA 0.638 4.990 4.350 0.004 0.000 0.332 351 T C 0.331 175.002 174.700 -0.049 0.000 1.208 351 T CA 0.626 62.697 62.100 -0.049 0.000 1.080 351 T CB 0.620 69.460 68.868 -0.048 0.000 1.180 351 T HN 2.044 nan 8.240 nan 0.000 0.469 362 L N 3.152 124.247 121.223 -0.213 0.000 1.935 362 L HA -0.192 4.150 4.340 0.004 0.000 0.474 362 L C -0.241 176.579 176.870 -0.083 0.000 1.002 362 L CA 1.066 55.760 54.840 -0.243 0.000 1.232 362 L CB -0.907 40.961 42.059 -0.318 0.000 1.316 362 L HN 0.934 nan 8.230 nan 0.000 0.686 363 T N -0.125 114.392 114.554 -0.062 0.000 2.676 363 T HA 0.835 5.187 4.350 0.004 0.000 0.269 363 T C -0.933 173.775 174.700 0.013 0.000 0.952 363 T CA -0.764 61.338 62.100 0.003 0.000 1.040 363 T CB 2.350 71.223 68.868 0.009 0.000 1.352 363 T HN 0.273 nan 8.240 nan 0.000 0.554 364 F N 1.779 121.689 119.950 -0.066 0.000 2.547 364 F HA 0.635 5.164 4.527 0.003 0.000 0.316 364 F C -2.582 173.169 175.800 -0.082 0.000 1.121 364 F CA -2.201 55.756 58.000 -0.072 0.000 0.911 364 F CB 1.557 40.511 39.000 -0.076 0.000 1.179 364 F HN 0.394 nan 8.300 nan 0.000 0.443 365 P HA 0.461 nan 4.420 nan 0.000 0.275 365 P C -1.610 175.770 177.300 0.133 0.000 1.227 365 P CA -0.218 62.929 63.100 0.078 0.000 0.781 365 P CB 0.960 32.653 31.700 -0.012 0.000 0.906 366 L N 2.760 123.994 121.223 0.019 0.000 2.737 366 L HA 0.314 4.657 4.340 0.004 0.000 0.261 366 L C -1.681 175.155 176.870 -0.057 0.000 0.949 366 L CA -0.155 54.635 54.840 -0.085 0.000 0.952 366 L CB 1.642 43.560 42.059 -0.235 0.000 1.337 366 L HN 0.247 nan 8.230 nan 0.000 0.430 367 D N 3.647 124.049 120.400 0.003 0.000 2.256 367 D HA 0.338 4.980 4.640 0.004 0.000 0.240 367 D C -1.467 174.889 176.300 0.093 0.000 1.062 367 D CA 0.198 54.245 54.000 0.078 0.000 0.832 367 D CB 1.933 42.870 40.800 0.228 0.000 1.135 367 D HN 0.435 nan 8.370 nan 0.000 0.484 368 Y N 2.225 122.389 120.300 -0.226 0.000 2.609 368 Y HA 0.166 4.718 4.550 0.004 0.000 0.350 368 Y C -1.083 174.606 175.900 -0.353 0.000 1.050 368 Y CA -0.635 57.364 58.100 -0.169 0.000 1.290 368 Y CB 0.349 38.727 38.460 -0.136 0.000 1.094 368 Y HN 0.337 nan 8.280 nan 0.000 0.583 369 H N 4.791 123.715 119.070 -0.244 0.000 2.581 369 H HA 0.390 4.948 4.556 0.004 0.000 0.308 369 H C -0.463 174.693 175.328 -0.288 0.000 1.040 369 H CA -0.542 55.388 56.048 -0.197 0.000 1.231 369 H CB 1.189 30.887 29.762 -0.107 0.000 1.396 369 H HN 0.550 nan 8.280 nan 0.000 0.467 370 L N 4.014 125.107 121.223 -0.215 0.000 2.480 370 L HA 0.149 4.491 4.340 0.004 0.000 0.243 370 L C 0.389 177.247 176.870 -0.019 0.000 1.315 370 L CA 0.040 54.728 54.840 -0.254 0.000 1.231 370 L CB -0.496 41.232 42.059 -0.552 0.000 1.444 370 L HN 0.774 nan 8.230 nan 0.000 0.409 371 N N 1.325 119.955 118.700 -0.116 0.000 2.401 371 N HA 0.126 4.869 4.740 0.004 0.000 0.264 371 N C -0.210 174.754 175.510 -0.910 0.000 1.238 371 N CA -0.550 52.291 53.050 -0.349 0.000 0.889 371 N CB 0.720 39.093 38.487 -0.190 0.000 1.196 371 N HN 0.552 nan 8.380 nan 0.000 0.511 372 Q N -1.118 118.238 119.800 -0.740 0.000 2.575 372 Q HA 0.445 4.787 4.340 0.004 0.000 0.290 372 Q C -3.350 172.695 176.000 0.076 0.000 0.963 372 Q CA -2.053 53.430 55.803 -0.533 0.000 0.783 372 Q CB 1.109 29.781 28.738 -0.111 0.000 1.467 372 Q HN -0.168 nan 8.270 nan 0.000 0.402 373 P HA -0.029 nan 4.420 nan 0.000 0.259 373 P C -1.272 176.269 177.300 0.402 0.000 1.163 373 P CA 0.774 64.082 63.100 0.347 0.000 0.760 373 P CB -0.142 31.692 31.700 0.224 0.000 0.762 374 F N 1.747 121.896 119.950 0.332 0.000 2.715 374 F HA 0.757 5.287 4.527 0.004 0.000 0.318 374 F C -1.421 174.613 175.800 0.390 0.000 1.141 374 F CA -1.450 56.763 58.000 0.355 0.000 0.950 374 F CB 1.083 40.331 39.000 0.413 0.000 1.374 374 F HN -0.005 nan 8.300 nan 0.000 0.477 375 I N 2.120 123.070 120.570 0.634 0.000 2.498 375 I HA 0.498 4.671 4.170 0.004 0.000 0.290 375 I C -1.342 175.223 176.117 0.747 0.000 1.032 375 I CA -0.856 60.691 61.300 0.411 0.000 1.073 375 I CB 2.118 40.202 38.000 0.141 0.000 1.251 375 I HN 0.679 nan 8.210 nan 0.000 0.426 376 F N 5.319 125.520 119.950 0.418 0.000 2.577 376 F HA 0.868 5.398 4.527 0.004 0.000 0.318 376 F C -1.341 174.545 175.800 0.143 0.000 1.065 376 F CA -1.182 57.031 58.000 0.356 0.000 0.929 376 F CB 1.350 40.614 39.000 0.439 0.000 1.237 376 F HN 0.007 nan 8.300 nan 0.000 0.468 377 V N 4.680 124.672 119.914 0.130 0.000 2.447 377 V HA 0.257 4.379 4.120 0.004 0.000 0.292 377 V C -0.619 175.540 176.094 0.107 0.000 1.021 377 V CA -0.738 61.569 62.300 0.012 0.000 0.850 377 V CB 1.634 33.567 31.823 0.183 0.000 1.005 377 V HN 0.919 nan 8.190 nan 0.000 0.426 378 L N 6.488 127.761 121.223 0.083 0.000 2.325 378 L HA 0.536 4.879 4.340 0.004 0.000 0.284 378 L C 0.168 177.071 176.870 0.055 0.000 1.089 378 L CA 0.033 54.937 54.840 0.106 0.000 0.836 378 L CB 0.494 42.599 42.059 0.076 0.000 1.184 378 L HN 0.700 nan 8.230 nan 0.000 0.444 379 R N 3.985 124.529 120.500 0.073 0.000 2.778 379 R HA 0.264 4.607 4.340 0.004 0.000 0.277 379 R C -0.765 175.589 176.300 0.089 0.000 0.977 379 R CA -0.725 55.428 56.100 0.089 0.000 0.950 379 R CB 1.613 31.988 30.300 0.125 0.000 1.165 379 R HN 0.616 nan 8.270 nan 0.000 0.474 380 D N 1.924 122.386 120.400 0.104 0.000 2.295 380 D HA 0.054 4.697 4.640 0.004 0.000 0.248 380 D C 0.046 176.431 176.300 0.142 0.000 1.154 380 D CA -0.084 53.982 54.000 0.111 0.000 0.857 380 D CB 1.771 42.633 40.800 0.103 0.000 1.117 380 D HN 0.553 nan 8.370 nan 0.000 0.468 381 T N 3.198 117.828 114.554 0.128 0.000 2.821 381 T HA -0.127 4.226 4.350 0.004 0.000 0.267 381 T C 1.122 175.944 174.700 0.202 0.000 1.046 381 T CA 0.912 63.094 62.100 0.138 0.000 1.139 381 T CB 0.098 69.023 68.868 0.094 0.000 0.871 381 T HN 0.508 nan 8.240 nan 0.000 0.454 382 D N 1.484 121.982 120.400 0.163 0.000 2.077 382 D HA -0.083 4.560 4.640 0.004 0.000 0.196 382 D C 2.572 178.960 176.300 0.147 0.000 0.986 382 D CA 2.012 56.103 54.000 0.152 0.000 0.829 382 D CB -0.509 40.342 40.800 0.085 0.000 0.983 382 D HN 0.546 nan 8.370 nan 0.000 0.453 383 T N -3.141 111.475 114.554 0.102 0.000 3.044 383 T HA 0.295 4.648 4.350 0.004 0.000 0.255 383 T C 1.724 176.504 174.700 0.133 0.000 1.073 383 T CA 1.033 63.142 62.100 0.014 0.000 1.125 383 T CB 0.527 69.395 68.868 -0.000 0.000 0.908 383 T HN 0.276 nan 8.240 nan 0.000 0.480 384 G N 1.529 110.503 108.800 0.289 0.000 2.141 384 G HA2 -0.018 3.945 3.960 0.004 0.000 0.242 384 G HA3 -0.018 3.945 3.960 0.004 0.000 0.242 384 G C 0.267 175.320 174.900 0.254 0.000 0.982 384 G CA -0.038 45.295 45.100 0.389 0.000 0.662 384 G HN 1.183 nan 8.290 nan 0.000 0.527 385 A N 0.364 123.275 122.820 0.153 0.000 2.477 385 A HA 0.585 4.907 4.320 0.004 0.000 0.246 385 A C 0.815 178.441 177.584 0.070 0.000 1.078 385 A CA 0.007 52.098 52.037 0.090 0.000 0.770 385 A CB 0.495 19.520 19.000 0.042 0.000 1.011 385 A HN 1.259 nan 8.150 nan 0.000 0.494 386 L N 4.269 125.501 121.223 0.015 0.000 2.385 386 L HA 0.175 4.518 4.340 0.004 0.000 0.281 386 L C 0.168 176.995 176.870 -0.072 0.000 1.106 386 L CA -0.036 54.767 54.840 -0.061 0.000 0.856 386 L CB 0.165 42.057 42.059 -0.277 0.000 1.186 386 L HN 0.857 nan 8.230 nan 0.000 0.453 387 L N 6.159 127.367 121.223 -0.025 0.000 2.408 387 L HA 0.244 4.587 4.340 0.004 0.000 0.215 387 L C -0.229 176.623 176.870 -0.030 0.000 1.081 387 L CA 0.338 55.177 54.840 -0.001 0.000 0.840 387 L CB 0.111 42.205 42.059 0.058 0.000 1.002 387 L HN 0.419 nan 8.230 nan 0.000 0.468 388 F N -0.593 119.259 119.950 -0.163 0.000 2.672 388 F HA 0.541 5.070 4.527 0.004 0.000 0.311 388 F C -1.018 174.535 175.800 -0.412 0.000 1.113 388 F CA -0.805 57.057 58.000 -0.230 0.000 0.996 388 F CB 2.334 41.206 39.000 -0.213 0.000 1.286 388 F HN -0.348 nan 8.300 nan 0.000 0.441 389 I N 1.904 122.303 120.570 -0.285 0.000 2.802 389 I HA 0.884 5.056 4.170 0.004 0.000 0.298 389 I C -1.173 174.537 176.117 -0.678 0.000 1.176 389 I CA -0.332 60.609 61.300 -0.599 0.000 1.025 389 I CB 2.231 39.907 38.000 -0.539 0.000 1.243 389 I HN 0.665 nan 8.210 nan 0.000 0.424 390 G N 5.249 113.433 108.800 -1.028 0.000 2.746 390 G HA2 0.351 4.314 3.960 0.004 0.000 0.297 390 G HA3 0.351 4.314 3.960 0.004 0.000 0.297 390 G C -2.063 172.668 174.900 -0.281 0.000 1.426 390 G CA -0.670 44.089 45.100 -0.567 0.000 0.989 390 G HN 0.595 nan 8.290 nan 0.000 0.520 391 K N 2.232 122.615 120.400 -0.028 0.000 2.334 391 K HA 0.426 4.749 4.320 0.004 0.000 0.265 391 K C -0.418 176.157 176.600 -0.042 0.000 1.039 391 K CA -0.758 55.547 56.287 0.030 0.000 0.920 391 K CB 0.682 33.273 32.500 0.152 0.000 1.160 391 K HN 0.227 nan 8.250 nan 0.000 0.451 392 I N 6.781 127.234 120.570 -0.194 0.000 2.287 392 I HA 0.060 4.233 4.170 0.004 0.000 0.290 392 I C 0.642 176.694 176.117 -0.108 0.000 1.069 392 I CA -0.347 60.803 61.300 -0.250 0.000 1.237 392 I CB 0.874 38.517 38.000 -0.595 0.000 1.418 392 I HN 0.673 nan 8.210 nan 0.000 0.481 393 L N 3.919 125.136 121.223 -0.010 0.000 2.416 393 L HA 0.209 4.552 4.340 0.004 0.000 0.216 393 L C 0.580 177.507 176.870 0.095 0.000 1.098 393 L CA 1.134 56.028 54.840 0.090 0.000 0.840 393 L CB -0.202 41.895 42.059 0.063 0.000 0.981 393 L HN 0.507 nan 8.230 nan 0.000 0.462 394 D N -1.819 118.542 120.400 -0.065 0.000 2.616 394 D HA 0.205 4.848 4.640 0.004 0.000 0.238 394 D C -2.210 173.911 176.300 -0.298 0.000 1.354 394 D CA -1.534 52.342 54.000 -0.207 0.000 0.970 394 D CB 2.188 42.937 40.800 -0.085 0.000 1.369 394 D HN -0.208 nan 8.370 nan 0.000 0.585 395 P HA -0.066 nan 4.420 nan 0.000 0.218 395 P C 1.122 178.304 177.300 -0.196 0.000 1.148 395 P CA 0.823 63.717 63.100 -0.344 0.000 0.822 395 P CB 0.239 31.664 31.700 -0.458 0.000 0.784 396 R N -0.769 119.616 120.500 -0.192 0.000 2.355 396 R HA 0.068 4.411 4.340 0.004 0.000 0.219 396 R C 1.141 177.401 176.300 -0.066 0.000 1.107 396 R CA 0.711 56.749 56.100 -0.103 0.000 1.021 396 R CB -1.032 29.219 30.300 -0.082 0.000 0.852 396 R HN 0.250 nan 8.270 nan 0.000 0.475 397 G N 1.089 109.847 108.800 -0.071 0.000 2.829 397 G HA2 -0.219 3.744 3.960 0.004 0.000 0.628 397 G HA3 -0.219 3.744 3.960 0.004 0.000 0.628 397 G C -2.251 172.643 174.900 -0.011 0.000 1.412 397 G CA -1.057 44.025 45.100 -0.030 0.000 0.864 397 G HN 0.056 nan 8.290 nan 0.000 0.544 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.117 63.100 0.028 0.000 0.800 398 P CB 0.000 31.733 31.700 0.056 0.000 0.726