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 1bes_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPYGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLEDG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.662 176.870 -0.346 0.000 1.165 4 L CA 0.000 54.708 54.840 -0.220 0.000 0.813 4 L CB 0.000 41.940 42.059 -0.198 0.000 0.961 5 V N 2.059 121.736 119.914 -0.396 0.000 2.715 5 V HA 0.611 4.732 4.120 0.002 0.000 0.310 5 V C -0.815 174.913 176.094 -0.611 0.000 1.054 5 V CA -0.720 61.341 62.300 -0.400 0.000 0.928 5 V CB 2.174 33.872 31.823 -0.208 0.000 1.007 5 V HN 0.531 nan 8.190 nan 0.000 0.437 6 H N 2.224 121.062 119.070 -0.387 0.000 2.991 6 H HA 0.489 5.046 4.556 0.002 0.000 0.304 6 H C -0.834 174.139 175.328 -0.591 0.000 1.040 6 H CA -0.328 55.240 56.048 -0.801 0.000 1.410 6 H CB 1.821 30.736 29.762 -1.411 0.000 1.529 6 H HN 0.382 nan 8.280 nan 0.000 0.509 7 V N 1.982 121.806 119.914 -0.150 0.000 2.539 7 V HA 0.448 4.570 4.120 0.002 0.000 0.292 7 V C 0.836 176.983 176.094 0.089 0.000 1.045 7 V CA -0.938 61.315 62.300 -0.078 0.000 0.945 7 V CB 1.492 33.295 31.823 -0.033 0.000 0.993 7 V HN 0.856 nan 8.190 nan 0.000 0.464 8 A N 3.270 126.045 122.820 -0.074 0.000 2.450 8 A HA 0.523 4.844 4.320 0.002 0.000 0.255 8 A C 0.377 178.006 177.584 0.076 0.000 1.096 8 A CA 0.068 52.103 52.037 -0.003 0.000 0.778 8 A CB 0.424 19.288 19.000 -0.227 0.000 1.031 8 A HN 0.801 nan 8.150 nan 0.000 0.494 9 S N 2.756 118.512 115.700 0.094 0.000 2.669 9 S HA 0.417 4.888 4.470 0.002 0.000 0.315 9 S C -0.317 174.352 174.600 0.116 0.000 1.106 9 S CA -0.566 57.692 58.200 0.097 0.000 1.107 9 S CB 0.245 63.503 63.200 0.096 0.000 0.990 9 S HN 0.705 nan 8.310 nan 0.000 0.471 10 V N 5.053 125.048 119.914 0.134 0.000 2.681 10 V HA -0.026 4.095 4.120 0.002 0.000 0.306 10 V C 0.604 176.829 176.094 0.219 0.000 1.077 10 V CA 0.286 62.703 62.300 0.196 0.000 1.224 10 V CB -0.229 31.710 31.823 0.194 0.000 0.879 10 V HN 0.805 nan 8.190 nan 0.000 0.494 11 E N 3.742 124.141 120.200 0.332 0.000 2.465 11 E HA 0.017 4.368 4.350 0.002 0.000 0.260 11 E C 0.294 176.992 176.600 0.163 0.000 0.980 11 E CA 0.159 56.738 56.400 0.297 0.000 0.927 11 E CB 0.136 30.130 29.700 0.491 0.000 0.934 11 E HN 0.465 nan 8.360 nan 0.000 0.459 12 K N 2.101 122.565 120.400 0.107 0.000 2.405 12 K HA -0.069 4.253 4.320 0.002 0.000 0.273 12 K C 0.895 177.477 176.600 -0.031 0.000 1.116 12 K CA 1.072 57.385 56.287 0.044 0.000 1.155 12 K CB -0.359 32.164 32.500 0.040 0.000 0.858 12 K HN 0.803 nan 8.250 nan 0.000 0.477 13 G N 3.226 112.015 108.800 -0.018 0.000 2.155 13 G HA2 -0.262 3.699 3.960 0.002 0.000 0.257 13 G HA3 -0.262 3.699 3.960 0.002 0.000 0.257 13 G C -0.130 174.695 174.900 -0.126 0.000 0.983 13 G CA -0.026 45.037 45.100 -0.060 0.000 0.676 13 G HN 0.517 nan 8.290 nan 0.000 0.528 14 R N 0.463 120.883 120.500 -0.132 0.000 2.500 14 R HA 0.753 5.094 4.340 0.002 0.000 0.277 14 R C 0.636 176.963 176.300 0.045 0.000 1.026 14 R CA 0.329 56.279 56.100 -0.250 0.000 1.058 14 R CB 1.393 31.371 30.300 -0.537 0.000 1.078 14 R HN 0.699 nan 8.270 nan 0.000 0.509 15 S N -0.149 115.561 115.700 0.017 0.000 2.811 15 S HA 0.188 4.659 4.470 0.002 0.000 0.311 15 S C 0.829 175.563 174.600 0.223 0.000 1.152 15 S CA -0.757 57.565 58.200 0.203 0.000 0.864 15 S CB 0.571 63.839 63.200 0.113 0.000 1.226 15 S HN 0.631 nan 8.310 nan 0.000 0.541 16 Y N 1.776 122.045 120.300 -0.052 0.000 2.030 16 Y HA -0.240 4.311 4.550 0.002 0.000 0.272 16 Y C 2.052 177.893 175.900 -0.099 0.000 1.185 16 Y CA 2.783 60.610 58.100 -0.455 0.000 1.120 16 Y CB -1.032 37.168 38.460 -0.434 0.000 0.955 16 Y HN 0.827 nan 8.280 nan 0.000 0.495 17 E N 0.444 120.504 120.200 -0.234 0.000 2.130 17 E HA -0.225 4.127 4.350 0.002 0.000 0.196 17 E C 1.924 178.398 176.600 -0.211 0.000 0.998 17 E CA 1.704 57.949 56.400 -0.259 0.000 0.806 17 E CB -0.348 29.299 29.700 -0.088 0.000 0.738 17 E HN 0.625 nan 8.360 nan 0.000 0.459 18 D N -0.498 119.787 120.400 -0.190 0.000 2.117 18 D HA -0.126 4.515 4.640 0.002 0.000 0.198 18 D C 1.756 177.949 176.300 -0.178 0.000 0.982 18 D CA 0.946 54.804 54.000 -0.236 0.000 0.828 18 D CB -0.201 40.245 40.800 -0.590 0.000 0.967 18 D HN 0.214 nan 8.370 nan 0.000 0.464 19 F N 1.118 121.085 119.950 0.028 0.000 2.146 19 F HA -0.123 4.405 4.527 0.002 0.000 0.298 19 F C 2.667 178.243 175.800 -0.374 0.000 1.096 19 F CA 0.581 58.574 58.000 -0.011 0.000 1.275 19 F CB -0.591 38.596 39.000 0.313 0.000 1.008 19 F HN -0.141 nan 8.300 nan 0.000 0.480 20 Q N 1.198 120.848 119.800 -0.251 0.000 2.197 20 Q HA -0.213 4.129 4.340 0.002 0.000 0.207 20 Q C 1.851 177.679 176.000 -0.286 0.000 0.984 20 Q CA 1.794 57.371 55.803 -0.378 0.000 0.869 20 Q CB -0.290 28.190 28.738 -0.430 0.000 0.906 20 Q HN 0.316 nan 8.270 nan 0.000 0.426 21 K N -1.043 119.216 120.400 -0.235 0.000 2.097 21 K HA -0.064 4.257 4.320 0.002 0.000 0.205 21 K C 1.996 178.328 176.600 -0.446 0.000 1.050 21 K CA 1.338 57.516 56.287 -0.183 0.000 0.938 21 K CB -0.034 32.469 32.500 0.005 0.000 0.718 21 K HN 0.094 nan 8.250 nan 0.000 0.442 22 V N 0.813 120.288 119.914 -0.731 0.000 2.307 22 V HA -0.268 3.853 4.120 0.002 0.000 0.245 22 V C 2.083 177.835 176.094 -0.571 0.000 1.045 22 V CA 1.643 63.313 62.300 -1.049 0.000 1.024 22 V CB -0.632 30.636 31.823 -0.925 0.000 0.651 22 V HN 0.250 nan 8.190 nan 0.000 0.449 23 Y N 1.834 121.746 120.300 -0.647 0.000 2.053 23 Y HA -0.325 4.226 4.550 0.002 0.000 0.277 23 Y C 2.419 178.119 175.900 -0.333 0.000 1.159 23 Y CA 2.264 60.022 58.100 -0.570 0.000 1.125 23 Y CB -0.796 37.177 38.460 -0.811 0.000 0.969 23 Y HN 0.327 nan 8.280 nan 0.000 0.492 24 N N -0.191 118.555 118.700 0.078 0.000 2.137 24 N HA -0.263 4.479 4.740 0.002 0.000 0.190 24 N C 1.926 177.419 175.510 -0.029 0.000 1.017 24 N CA 0.894 53.989 53.050 0.074 0.000 0.859 24 N CB -0.357 38.155 38.487 0.042 0.000 1.002 24 N HN 0.519 nan 8.380 nan 0.000 0.428 25 A N 1.183 123.956 122.820 -0.079 0.000 1.930 25 A HA -0.074 4.247 4.320 0.002 0.000 0.217 25 A C 2.118 179.648 177.584 -0.090 0.000 1.175 25 A CA 0.910 52.929 52.037 -0.030 0.000 0.627 25 A CB -0.463 18.601 19.000 0.106 0.000 0.815 25 A HN 0.176 nan 8.150 nan 0.000 0.443 26 I N -0.291 120.181 120.570 -0.165 0.000 2.252 26 I HA -0.252 3.919 4.170 0.002 0.000 0.245 26 I C 2.986 179.074 176.117 -0.048 0.000 1.102 26 I CA 0.964 62.206 61.300 -0.098 0.000 1.385 26 I CB -0.342 37.541 38.000 -0.194 0.000 1.064 26 I HN 0.350 nan 8.210 nan 0.000 0.414 27 A N 1.054 123.763 122.820 -0.186 0.000 1.883 27 A HA -0.191 4.130 4.320 0.002 0.000 0.217 27 A C 2.299 179.878 177.584 -0.008 0.000 1.186 27 A CA 1.567 53.524 52.037 -0.133 0.000 0.624 27 A CB -0.979 17.929 19.000 -0.154 0.000 0.822 27 A HN 0.382 nan 8.150 nan 0.000 0.444 28 L N -0.750 120.471 121.223 -0.003 0.000 2.083 28 L HA -0.187 4.155 4.340 0.002 0.000 0.209 28 L C 2.641 179.527 176.870 0.027 0.000 1.083 28 L CA 1.873 56.724 54.840 0.017 0.000 0.752 28 L CB -0.353 41.710 42.059 0.007 0.000 0.899 28 L HN 0.486 nan 8.230 nan 0.000 0.433 29 K N 0.517 120.924 120.400 0.013 0.000 2.155 29 K HA -0.129 4.192 4.320 0.002 0.000 0.203 29 K C 2.124 178.863 176.600 0.231 0.000 1.052 29 K CA 0.872 57.157 56.287 -0.004 0.000 0.948 29 K CB 0.076 32.388 32.500 -0.315 0.000 0.728 29 K HN 0.258 nan 8.250 nan 0.000 0.448 30 L N 0.595 122.001 121.223 0.305 0.000 2.093 30 L HA -0.109 4.233 4.340 0.002 0.000 0.208 30 L C 2.773 179.751 176.870 0.181 0.000 1.085 30 L CA 0.972 55.975 54.840 0.271 0.000 0.755 30 L CB -0.279 41.838 42.059 0.096 0.000 0.904 30 L HN 0.229 nan 8.230 nan 0.000 0.435 31 R N 0.269 120.841 120.500 0.121 0.000 2.092 31 R HA -0.221 4.120 4.340 0.002 0.000 0.231 31 R C 2.145 178.505 176.300 0.099 0.000 1.119 31 R CA 1.808 57.963 56.100 0.092 0.000 0.970 31 R CB -0.025 30.314 30.300 0.065 0.000 0.864 31 R HN 0.411 nan 8.270 nan 0.000 0.440 32 E N 0.211 120.473 120.200 0.103 0.000 2.051 32 E HA -0.123 4.228 4.350 0.002 0.000 0.189 32 E C -0.126 176.552 176.600 0.130 0.000 0.979 32 E CA 1.121 57.576 56.400 0.091 0.000 0.803 32 E CB 0.135 29.866 29.700 0.052 0.000 0.761 32 E HN 0.196 nan 8.360 nan 0.000 0.451 33 D N 1.798 122.322 120.400 0.206 0.000 2.994 33 D HA -0.017 4.624 4.640 0.002 0.000 0.240 33 D C -0.254 176.230 176.300 0.306 0.000 1.195 33 D CA 0.130 54.308 54.000 0.296 0.000 0.957 33 D CB 0.386 41.476 40.800 0.483 0.000 1.105 33 D HN 0.310 nan 8.370 nan 0.000 0.477 34 D N -0.798 119.718 120.400 0.192 0.000 2.349 34 D HA -0.152 4.489 4.640 0.002 0.000 0.224 34 D C 1.390 177.759 176.300 0.115 0.000 1.029 34 D CA 0.254 54.342 54.000 0.146 0.000 0.879 34 D CB 0.002 40.864 40.800 0.103 0.000 0.906 34 D HN 0.275 nan 8.370 nan 0.000 0.528 35 E N -0.359 119.921 120.200 0.133 0.000 2.250 35 E HA -0.094 4.257 4.350 0.002 0.000 0.192 35 E C 0.556 177.187 176.600 0.051 0.000 0.986 35 E CA -0.523 55.929 56.400 0.087 0.000 0.849 35 E CB -1.457 28.296 29.700 0.090 0.000 0.797 35 E HN 0.466 nan 8.360 nan 0.000 0.482 36 Y N 2.483 122.737 120.300 -0.077 0.000 2.969 36 Y HA 0.069 4.620 4.550 0.002 0.000 0.339 36 Y C 0.286 176.071 175.900 -0.191 0.000 1.272 36 Y CA 1.010 58.971 58.100 -0.231 0.000 1.577 36 Y CB -0.178 37.850 38.460 -0.720 0.000 1.234 36 Y HN 0.297 nan 8.280 nan 0.000 0.590 37 D N 4.468 124.292 120.400 -0.959 0.000 2.746 37 D HA -0.303 4.338 4.640 0.002 0.000 0.241 37 D C -0.286 175.850 176.300 -0.274 0.000 1.140 37 D CA 1.635 55.243 54.000 -0.653 0.000 0.707 37 D CB -1.477 38.892 40.800 -0.718 0.000 1.034 37 D HN 0.887 nan 8.370 nan 0.000 0.423 38 N N -1.203 117.390 118.700 -0.178 0.000 2.738 38 N HA -0.324 4.418 4.740 0.002 0.000 0.249 38 N C -0.072 175.401 175.510 -0.061 0.000 1.047 38 N CA 1.149 54.146 53.050 -0.090 0.000 0.707 38 N CB -1.556 36.890 38.487 -0.070 0.000 0.937 38 N HN 0.370 nan 8.380 nan 0.000 0.545 39 Y N -4.567 115.703 120.300 -0.050 0.000 4.490 39 Y HA -0.279 4.272 4.550 0.002 0.000 0.233 39 Y C 1.499 177.396 175.900 -0.005 0.000 1.101 39 Y CA 0.481 58.576 58.100 -0.009 0.000 2.010 39 Y CB -2.747 35.717 38.460 0.005 0.000 1.622 39 Y HN 0.471 nan 8.280 nan 0.000 0.675 40 I N -0.242 120.308 120.570 -0.034 0.000 2.703 40 I HA 0.380 4.552 4.170 0.002 0.000 0.259 40 I C 1.688 177.825 176.117 0.033 0.000 1.151 40 I CA 1.535 62.831 61.300 -0.006 0.000 1.470 40 I CB 0.263 38.248 38.000 -0.024 0.000 1.112 40 I HN 0.679 nan 8.210 nan 0.000 0.437 41 G N -0.360 108.472 108.800 0.053 0.000 2.655 41 G HA2 -0.272 3.689 3.960 0.002 0.000 0.680 41 G HA3 -0.272 3.689 3.960 0.002 0.000 0.680 41 G C -0.347 174.584 174.900 0.052 0.000 1.302 41 G CA -0.449 44.704 45.100 0.088 0.000 0.872 41 G HN 0.077 nan 8.290 nan 0.000 0.540 42 Y N 1.612 121.891 120.300 -0.036 0.000 2.466 42 Y HA 0.272 4.823 4.550 0.002 0.000 0.272 42 Y C 2.730 178.476 175.900 -0.256 0.000 1.169 42 Y CA 1.324 59.257 58.100 -0.278 0.000 1.285 42 Y CB 0.169 38.137 38.460 -0.819 0.000 1.078 42 Y HN 0.850 nan 8.280 nan 0.000 0.523 43 G N 1.945 110.729 108.800 -0.026 0.000 2.631 43 G HA2 -0.292 3.669 3.960 0.002 0.000 0.219 43 G HA3 -0.292 3.669 3.960 0.002 0.000 0.219 43 G C -0.551 174.349 174.900 0.000 0.000 1.214 43 G CA 1.161 46.241 45.100 -0.035 0.000 0.785 43 G HN 0.256 nan 8.290 nan 0.000 0.596 44 P HA -0.096 nan 4.420 nan 0.000 0.214 44 P C 2.204 179.550 177.300 0.077 0.000 1.163 44 P CA 1.179 64.320 63.100 0.068 0.000 0.889 44 P CB -0.387 31.359 31.700 0.077 0.000 0.790 45 V N -0.538 119.424 119.914 0.080 0.000 2.469 45 V HA -0.211 3.910 4.120 0.002 0.000 0.251 45 V C 2.205 178.309 176.094 0.017 0.000 1.064 45 V CA 1.596 63.935 62.300 0.064 0.000 1.066 45 V CB -1.125 30.757 31.823 0.099 0.000 0.667 45 V HN 0.006 nan 8.190 nan 0.000 0.461 46 L N -0.974 120.238 121.223 -0.019 0.000 2.093 46 L HA -0.105 4.236 4.340 0.002 0.000 0.208 46 L C 2.477 179.386 176.870 0.066 0.000 1.085 46 L CA 1.286 56.106 54.840 -0.033 0.000 0.755 46 L CB -0.580 41.404 42.059 -0.125 0.000 0.904 46 L HN 0.244 nan 8.230 nan 0.000 0.435 47 V N -0.114 119.860 119.914 0.101 0.000 2.343 47 V HA -0.287 3.834 4.120 0.002 0.000 0.247 47 V C 2.640 178.918 176.094 0.307 0.000 1.051 47 V CA 1.758 64.184 62.300 0.210 0.000 1.036 47 V CB -0.650 31.260 31.823 0.145 0.000 0.654 47 V HN 0.440 nan 8.190 nan 0.000 0.451 48 R N -0.371 120.264 120.500 0.224 0.000 2.096 48 R HA -0.169 4.172 4.340 0.002 0.000 0.235 48 R C 2.268 178.615 176.300 0.077 0.000 1.127 48 R CA 1.669 57.920 56.100 0.252 0.000 0.968 48 R CB -0.308 30.044 30.300 0.086 0.000 0.861 48 R HN 0.467 nan 8.270 nan 0.000 0.440 49 L N 0.443 121.647 121.223 -0.032 0.000 2.027 49 L HA -0.041 4.301 4.340 0.002 0.000 0.206 49 L C 2.231 179.060 176.870 -0.068 0.000 1.074 49 L CA 2.147 56.875 54.840 -0.187 0.000 0.745 49 L CB -0.625 41.298 42.059 -0.227 0.000 0.898 49 L HN 0.192 nan 8.230 nan 0.000 0.433 50 A N -0.094 122.793 122.820 0.112 0.000 1.908 50 A HA -0.279 4.042 4.320 0.002 0.000 0.218 50 A C 2.273 180.004 177.584 0.244 0.000 1.181 50 A CA 1.900 54.048 52.037 0.186 0.000 0.627 50 A CB -1.475 17.693 19.000 0.281 0.000 0.818 50 A HN 0.848 nan 8.150 nan 0.000 0.445 51 W N -0.168 121.258 121.300 0.210 0.000 2.388 51 W HA -0.158 4.503 4.660 0.002 0.000 0.294 51 W C 1.732 178.403 176.519 0.254 0.000 1.212 51 W CA 1.558 59.056 57.345 0.255 0.000 1.271 51 W CB -0.694 28.982 29.460 0.360 0.000 1.126 51 W HN 0.571 nan 8.180 nan 0.000 0.535 52 H N 1.279 120.053 119.070 -0.492 0.000 2.423 52 H HA -0.126 4.432 4.556 0.002 0.000 0.297 52 H C 2.189 177.311 175.328 -0.344 0.000 1.075 52 H CA 1.880 57.544 56.048 -0.639 0.000 1.342 52 H CB 0.138 29.604 29.762 -0.494 0.000 1.395 52 H HN 0.305 nan 8.280 nan 0.000 0.530 53 I N -2.001 118.505 120.570 -0.107 0.000 3.251 53 I HA 0.012 4.183 4.170 0.002 0.000 0.277 53 I C 1.848 177.989 176.117 0.039 0.000 1.268 53 I CA 0.759 62.041 61.300 -0.031 0.000 1.449 53 I CB 0.267 38.255 38.000 -0.019 0.000 1.083 53 I HN -0.106 nan 8.210 nan 0.000 0.464 54 S N 1.081 116.799 115.700 0.031 0.000 2.483 54 S HA 0.218 4.689 4.470 0.002 0.000 0.221 54 S C 1.895 176.564 174.600 0.115 0.000 1.030 54 S CA 0.592 58.840 58.200 0.080 0.000 0.925 54 S CB -0.067 63.197 63.200 0.107 0.000 0.795 54 S HN 0.659 nan 8.310 nan 0.000 0.511 55 G N 1.860 110.656 108.800 -0.006 0.000 3.061 55 G HA2 -0.013 3.948 3.960 0.002 0.000 0.208 55 G HA3 -0.013 3.948 3.960 0.002 0.000 0.208 55 G C 1.124 176.039 174.900 0.025 0.000 1.175 55 G CA 0.991 46.101 45.100 0.016 0.000 0.812 55 G HN 0.579 nan 8.290 nan 0.000 0.523 56 T N -4.104 110.480 114.554 0.049 0.000 3.081 56 T HA 0.022 4.374 4.350 0.002 0.000 0.250 56 T C 0.791 175.575 174.700 0.139 0.000 1.100 56 T CA -0.758 61.379 62.100 0.062 0.000 1.038 56 T CB 0.019 68.927 68.868 0.068 0.000 0.962 56 T HN 0.179 nan 8.240 nan 0.000 0.516 57 W N 3.295 124.590 121.300 -0.009 0.000 2.223 57 W HA 0.382 5.043 4.660 0.002 0.000 0.334 57 W C -0.543 175.949 176.519 -0.045 0.000 1.334 57 W CA -0.475 56.867 57.345 -0.005 0.000 1.246 57 W CB 0.338 29.804 29.460 0.011 0.000 1.184 57 W HN 0.025 nan 8.180 nan 0.000 0.563 58 D N 5.427 125.387 120.400 -0.734 0.000 2.446 58 D HA 0.055 4.697 4.640 0.002 0.000 0.251 58 D C 1.105 176.634 176.300 -1.286 0.000 1.137 58 D CA -0.371 53.172 54.000 -0.760 0.000 0.890 58 D CB 0.839 41.441 40.800 -0.330 0.000 1.071 58 D HN 0.579 nan 8.370 nan 0.000 0.528 59 K N 2.186 121.576 120.400 -1.685 0.000 2.442 59 K HA -0.215 4.106 4.320 0.002 0.000 0.200 59 K C 0.453 176.584 176.600 -0.782 0.000 1.045 59 K CA 1.346 56.717 56.287 -1.526 0.000 0.937 59 K CB -0.167 31.738 32.500 -0.992 0.000 0.757 59 K HN 0.425 nan 8.250 nan 0.000 0.474 60 H N 1.184 119.980 119.070 -0.456 0.000 2.343 60 H HA -0.039 4.518 4.556 0.002 0.000 0.303 60 H C 0.955 176.161 175.328 -0.203 0.000 1.068 60 H CA 1.550 57.443 56.048 -0.259 0.000 1.359 60 H CB 0.131 29.773 29.762 -0.201 0.000 1.402 60 H HN 0.614 nan 8.280 nan 0.000 0.515 61 D N -1.670 118.671 120.400 -0.099 0.000 2.479 61 D HA 0.037 4.678 4.640 0.002 0.000 0.218 61 D C 0.141 176.395 176.300 -0.076 0.000 1.177 61 D CA -0.240 53.718 54.000 -0.071 0.000 0.830 61 D CB -0.198 40.574 40.800 -0.046 0.000 1.014 61 D HN 0.080 nan 8.370 nan 0.000 0.503 62 N N 0.110 118.728 118.700 -0.137 0.000 2.778 62 N HA -0.179 4.562 4.740 0.002 0.000 0.249 62 N C -0.629 174.998 175.510 0.196 0.000 1.069 62 N CA 1.351 54.448 53.050 0.078 0.000 0.831 62 N CB -1.701 36.852 38.487 0.110 0.000 1.142 62 N HN 0.610 nan 8.380 nan 0.000 0.573 63 T N -2.835 111.749 114.554 0.050 0.000 2.849 63 T HA 0.602 4.954 4.350 0.002 0.000 0.284 63 T C 1.284 176.118 174.700 0.224 0.000 1.004 63 T CA 0.188 62.371 62.100 0.139 0.000 1.021 63 T CB 1.458 70.360 68.868 0.056 0.000 1.013 63 T HN 0.965 nan 8.240 nan 0.000 0.527 64 G N 0.212 109.159 108.800 0.245 0.000 2.645 64 G HA2 0.333 4.294 3.960 0.002 0.000 0.246 64 G HA3 0.333 4.294 3.960 0.002 0.000 0.246 64 G C 0.350 175.467 174.900 0.360 0.000 1.322 64 G CA 0.023 45.279 45.100 0.259 0.000 0.898 64 G HN 2.754 nan 8.290 nan 0.000 0.573 65 G N -2.989 105.990 108.800 0.298 0.000 2.712 65 G HA2 0.326 4.287 3.960 0.002 0.000 0.683 65 G HA3 0.326 4.287 3.960 0.002 0.000 0.683 65 G C 1.173 176.142 174.900 0.115 0.000 1.320 65 G CA 1.136 46.343 45.100 0.177 0.000 0.847 65 G HN 2.478 nan 8.290 nan 0.000 0.553 66 S N -1.062 114.674 115.700 0.060 0.000 2.428 66 S HA -0.096 4.375 4.470 0.002 0.000 0.230 66 S C 1.917 176.581 174.600 0.106 0.000 1.014 66 S CA 1.821 60.082 58.200 0.101 0.000 0.957 66 S CB -0.398 62.849 63.200 0.077 0.000 0.784 66 S HN 1.419 nan 8.310 nan 0.000 0.499 67 Y N 2.916 123.152 120.300 -0.108 0.000 2.029 67 Y HA -0.241 4.310 4.550 0.002 0.000 0.269 67 Y C 2.379 178.228 175.900 -0.085 0.000 1.201 67 Y CA 1.947 59.945 58.100 -0.170 0.000 1.115 67 Y CB -1.020 37.192 38.460 -0.413 0.000 0.945 67 Y HN 0.380 nan 8.280 nan 0.000 0.497 68 G N -1.600 107.247 108.800 0.078 0.000 2.920 68 G HA2 0.205 4.166 3.960 0.002 0.000 0.208 68 G HA3 0.205 4.166 3.960 0.002 0.000 0.208 68 G C 1.218 176.189 174.900 0.119 0.000 1.159 68 G CA 0.331 45.480 45.100 0.083 0.000 0.784 68 G HN 0.996 nan 8.290 nan 0.000 0.535 69 G N 0.670 109.563 108.800 0.156 0.000 2.321 69 G HA2 -0.345 3.617 3.960 0.002 0.000 0.287 69 G HA3 -0.345 3.617 3.960 0.002 0.000 0.287 69 G C 1.257 176.334 174.900 0.294 0.000 1.018 69 G CA 1.453 46.713 45.100 0.267 0.000 0.855 69 G HN 1.043 nan 8.290 nan 0.000 0.507 70 T N -3.291 111.449 114.554 0.309 0.000 3.025 70 T HA -0.172 4.179 4.350 0.002 0.000 0.270 70 T C 1.812 176.696 174.700 0.307 0.000 1.126 70 T CA 1.484 63.805 62.100 0.368 0.000 1.105 70 T CB -0.189 68.929 68.868 0.418 0.000 0.884 70 T HN 0.745 nan 8.240 nan 0.000 0.522 71 Y N 3.455 123.874 120.300 0.199 0.000 2.315 71 Y HA -0.180 4.371 4.550 0.002 0.000 0.288 71 Y C 2.497 178.449 175.900 0.087 0.000 1.154 71 Y CA 1.320 59.483 58.100 0.106 0.000 1.229 71 Y CB -0.396 38.001 38.460 -0.105 0.000 0.980 71 Y HN 0.296 nan 8.280 nan 0.000 0.540 72 R N -0.598 119.891 120.500 -0.019 0.000 2.241 72 R HA -0.118 4.223 4.340 0.002 0.000 0.224 72 R C -0.333 175.665 176.300 -0.503 0.000 1.101 72 R CA 0.556 56.471 56.100 -0.309 0.000 0.995 72 R CB -0.958 29.242 30.300 -0.167 0.000 0.870 72 R HN 0.225 nan 8.270 nan 0.000 0.463 73 F N 1.795 121.697 119.950 -0.080 0.000 2.371 73 F HA 0.310 4.838 4.527 0.002 0.000 0.329 73 F C 1.612 177.361 175.800 -0.085 0.000 1.107 73 F CA -0.935 57.019 58.000 -0.076 0.000 1.137 73 F CB 1.029 40.029 39.000 -0.001 0.000 1.214 73 F HN -0.274 nan 8.300 nan 0.000 0.536 74 K N 0.735 121.218 120.400 0.138 0.000 2.015 74 K HA -0.294 4.027 4.320 0.002 0.000 0.220 74 K C 2.377 179.051 176.600 0.124 0.000 1.055 74 K CA 2.529 58.873 56.287 0.095 0.000 0.951 74 K CB -0.254 32.288 32.500 0.070 0.000 0.725 74 K HN 0.401 nan 8.250 nan 0.000 0.449 75 K N 1.160 121.626 120.400 0.111 0.000 2.071 75 K HA -0.285 4.036 4.320 0.002 0.000 0.217 75 K C 2.026 178.685 176.600 0.100 0.000 1.054 75 K CA 2.419 58.759 56.287 0.089 0.000 0.937 75 K CB -0.420 32.122 32.500 0.070 0.000 0.719 75 K HN 0.496 nan 8.250 nan 0.000 0.454 76 E N -1.833 118.449 120.200 0.137 0.000 2.046 76 E HA -0.111 4.240 4.350 0.002 0.000 0.190 76 E C 2.061 178.723 176.600 0.104 0.000 0.982 76 E CA 1.402 57.889 56.400 0.145 0.000 0.800 76 E CB -0.359 29.469 29.700 0.212 0.000 0.756 76 E HN 0.521 nan 8.360 nan 0.000 0.449 77 F N 2.056 121.881 119.950 -0.208 0.000 2.126 77 F HA -0.168 4.360 4.527 0.002 0.000 0.299 77 F C 1.586 177.300 175.800 -0.144 0.000 1.096 77 F CA 1.481 59.224 58.000 -0.429 0.000 1.255 77 F CB -0.012 38.615 39.000 -0.622 0.000 0.997 77 F HN 0.064 nan 8.300 nan 0.000 0.479 78 N N 0.612 119.321 118.700 0.015 0.000 2.370 78 N HA -0.062 4.679 4.740 0.002 0.000 0.198 78 N C -0.303 175.198 175.510 -0.015 0.000 1.156 78 N CA 0.237 53.275 53.050 -0.020 0.000 0.839 78 N CB -0.683 37.832 38.487 0.047 0.000 0.989 78 N HN 0.288 nan 8.380 nan 0.000 0.468 79 D N 1.725 122.125 120.400 -0.000 0.000 2.450 79 D HA 0.032 4.673 4.640 0.002 0.000 0.247 79 D C -1.412 174.896 176.300 0.013 0.000 1.162 79 D CA -1.711 52.303 54.000 0.023 0.000 0.879 79 D CB 1.488 42.317 40.800 0.048 0.000 1.163 79 D HN 0.012 nan 8.370 nan 0.000 0.472 80 P HA -0.098 nan 4.420 nan 0.000 0.218 80 P C 0.961 178.290 177.300 0.048 0.000 1.148 80 P CA 0.954 64.069 63.100 0.026 0.000 0.822 80 P CB 0.167 31.884 31.700 0.029 0.000 0.784 81 S N -0.869 114.868 115.700 0.061 0.000 2.515 81 S HA -0.022 4.449 4.470 0.002 0.000 0.231 81 S C 1.308 176.023 174.600 0.191 0.000 0.987 81 S CA 0.662 58.926 58.200 0.107 0.000 0.936 81 S CB -0.707 62.515 63.200 0.037 0.000 0.766 81 S HN 0.219 nan 8.310 nan 0.000 0.528 82 N N 1.564 120.332 118.700 0.113 0.000 2.270 82 N HA 0.289 5.031 4.740 0.002 0.000 0.198 82 N C 0.239 175.727 175.510 -0.037 0.000 1.117 82 N CA 0.016 53.118 53.050 0.087 0.000 0.845 82 N CB 0.044 38.598 38.487 0.111 0.000 0.980 82 N HN 0.354 nan 8.380 nan 0.000 0.486 83 A N 0.161 122.969 122.820 -0.020 0.000 2.584 83 A HA 0.359 4.681 4.320 0.002 0.000 0.239 83 A C 1.538 179.086 177.584 -0.060 0.000 1.043 83 A CA 1.065 53.076 52.037 -0.043 0.000 0.756 83 A CB -0.421 18.578 19.000 -0.002 0.000 0.963 83 A HN 0.493 nan 8.150 nan 0.000 0.511 84 G N 1.131 109.885 108.800 -0.075 0.000 2.268 84 G HA2 -0.281 3.680 3.960 0.002 0.000 0.240 84 G HA3 -0.281 3.680 3.960 0.002 0.000 0.240 84 G C 0.889 175.755 174.900 -0.056 0.000 1.010 84 G CA 0.480 45.535 45.100 -0.075 0.000 0.618 84 G HN 0.840 nan 8.290 nan 0.000 0.516 85 L N 1.544 122.711 121.223 -0.095 0.000 2.275 85 L HA -0.094 4.247 4.340 0.002 0.000 0.215 85 L C 3.257 180.165 176.870 0.063 0.000 1.119 85 L CA 1.827 56.615 54.840 -0.087 0.000 0.790 85 L CB -0.725 41.193 42.059 -0.235 0.000 0.919 85 L HN 0.539 nan 8.230 nan 0.000 0.443 86 Q N -1.086 118.730 119.800 0.027 0.000 2.197 86 Q HA -0.190 4.151 4.340 0.002 0.000 0.207 86 Q C 1.740 177.933 176.000 0.322 0.000 0.984 86 Q CA 1.519 57.436 55.803 0.190 0.000 0.869 86 Q CB -1.131 27.638 28.738 0.051 0.000 0.906 86 Q HN 0.667 nan 8.270 nan 0.000 0.426 87 N N 0.885 119.715 118.700 0.217 0.000 2.244 87 N HA -0.033 4.708 4.740 0.002 0.000 0.183 87 N C 2.012 177.652 175.510 0.217 0.000 1.016 87 N CA 1.446 54.640 53.050 0.241 0.000 0.866 87 N CB -0.692 37.946 38.487 0.252 0.000 0.980 87 N HN 0.597 nan 8.380 nan 0.000 0.430 88 G N 0.034 108.941 108.800 0.178 0.000 2.421 88 G HA2 -0.196 3.765 3.960 0.002 0.000 0.217 88 G HA3 -0.196 3.765 3.960 0.002 0.000 0.217 88 G C 1.356 176.381 174.900 0.208 0.000 1.143 88 G CA -0.017 45.148 45.100 0.109 0.000 0.784 88 G HN 0.236 nan 8.290 nan 0.000 0.541 89 F N 1.722 121.781 119.950 0.182 0.000 2.075 89 F HA 0.025 4.553 4.527 0.002 0.000 0.297 89 F C 2.655 178.584 175.800 0.215 0.000 1.113 89 F CA 1.748 59.922 58.000 0.289 0.000 1.218 89 F CB -0.096 39.200 39.000 0.493 0.000 0.984 89 F HN 0.028 nan 8.300 nan 0.000 0.472 90 K N -0.751 119.809 120.400 0.267 0.000 2.147 90 K HA -0.216 4.105 4.320 0.002 0.000 0.205 90 K C 2.068 178.629 176.600 -0.064 0.000 1.049 90 K CA 1.737 58.073 56.287 0.081 0.000 0.936 90 K CB -0.635 31.968 32.500 0.172 0.000 0.722 90 K HN 0.366 nan 8.250 nan 0.000 0.446 91 F N 1.565 121.363 119.950 -0.253 0.000 2.134 91 F HA -0.130 4.398 4.527 0.002 0.000 0.299 91 F C 1.643 177.249 175.800 -0.324 0.000 1.097 91 F CA 1.270 59.000 58.000 -0.451 0.000 1.264 91 F CB -0.028 38.523 39.000 -0.749 0.000 1.001 91 F HN -0.127 nan 8.300 nan 0.000 0.479 92 L N 0.296 121.508 121.223 -0.019 0.000 2.217 92 L HA -0.063 4.278 4.340 0.002 0.000 0.211 92 L C 2.839 179.570 176.870 -0.232 0.000 1.107 92 L CA 1.047 55.828 54.840 -0.098 0.000 0.783 92 L CB -1.623 40.441 42.059 0.010 0.000 0.919 92 L HN 0.326 nan 8.230 nan 0.000 0.442 93 E N 1.597 121.606 120.200 -0.318 0.000 2.068 93 E HA -0.269 4.082 4.350 0.002 0.000 0.207 93 E C -0.059 176.433 176.600 -0.180 0.000 1.032 93 E CA 2.171 58.398 56.400 -0.287 0.000 0.839 93 E CB -2.668 26.834 29.700 -0.329 0.000 0.758 93 E HN 0.413 nan 8.360 nan 0.000 0.457 94 P HA -0.022 nan 4.420 nan 0.000 0.220 94 P C 1.488 178.697 177.300 -0.152 0.000 1.148 94 P CA 1.091 64.082 63.100 -0.181 0.000 0.803 94 P CB -0.134 31.431 31.700 -0.225 0.000 0.782 95 I N -1.109 119.366 120.570 -0.158 0.000 2.252 95 I HA -0.226 3.945 4.170 0.002 0.000 0.245 95 I C 2.733 178.890 176.117 0.068 0.000 1.102 95 I CA 1.354 62.624 61.300 -0.049 0.000 1.385 95 I CB -0.754 37.182 38.000 -0.107 0.000 1.064 95 I HN 0.034 nan 8.210 nan 0.000 0.414 96 H N 0.938 119.922 119.070 -0.145 0.000 2.387 96 H HA -0.144 4.413 4.556 0.002 0.000 0.299 96 H C 2.150 177.380 175.328 -0.164 0.000 1.090 96 H CA 1.037 56.983 56.048 -0.169 0.000 1.332 96 H CB 0.288 29.926 29.762 -0.207 0.000 1.386 96 H HN 0.170 nan 8.280 nan 0.000 0.516 97 K N 0.350 120.707 120.400 -0.071 0.000 2.152 97 K HA -0.190 4.131 4.320 0.002 0.000 0.206 97 K C 2.018 178.504 176.600 -0.189 0.000 1.048 97 K CA 1.419 57.614 56.287 -0.154 0.000 0.933 97 K CB 0.022 32.436 32.500 -0.143 0.000 0.721 97 K HN 0.439 nan 8.250 nan 0.000 0.447 98 E N -0.641 119.424 120.200 -0.226 0.000 2.158 98 E HA -0.062 4.289 4.350 0.002 0.000 0.191 98 E C -0.332 175.867 176.600 -0.669 0.000 0.982 98 E CA 0.608 56.717 56.400 -0.485 0.000 0.823 98 E CB 0.329 29.625 29.700 -0.674 0.000 0.766 98 E HN 0.099 nan 8.360 nan 0.000 0.468 99 F N -0.133 119.673 119.950 -0.240 0.000 2.523 99 F HA 0.304 4.832 4.527 0.002 0.000 0.322 99 F C -2.053 173.402 175.800 -0.576 0.000 1.361 99 F CA -2.093 55.611 58.000 -0.493 0.000 1.151 99 F CB 1.409 39.979 39.000 -0.717 0.000 1.391 99 F HN -0.045 nan 8.300 nan 0.000 0.566 100 P HA -0.146 nan 4.420 nan 0.000 0.228 100 P C 1.364 178.625 177.300 -0.065 0.000 1.151 100 P CA 1.132 64.118 63.100 -0.189 0.000 0.770 100 P CB -0.154 31.461 31.700 -0.143 0.000 0.786 101 W N -1.086 120.255 121.300 0.069 0.000 2.770 101 W HA 0.261 4.922 4.660 0.002 0.000 0.256 101 W C 0.526 177.113 176.519 0.114 0.000 1.291 101 W CA -0.558 56.824 57.345 0.063 0.000 1.396 101 W CB -1.131 28.349 29.460 0.034 0.000 1.114 101 W HN -0.132 nan 8.180 nan 0.000 0.637 102 I N 3.995 124.408 120.570 -0.263 0.000 2.588 102 I HA 0.015 4.186 4.170 0.002 0.000 0.283 102 I C 1.117 177.290 176.117 0.093 0.000 1.119 102 I CA 0.056 61.285 61.300 -0.119 0.000 1.419 102 I CB 1.032 38.713 38.000 -0.531 0.000 1.394 102 I HN -0.092 nan 8.210 nan 0.000 0.562 103 S N 4.204 119.979 115.700 0.125 0.000 2.624 103 S HA 0.193 4.665 4.470 0.002 0.000 0.263 103 S C 1.055 175.564 174.600 -0.152 0.000 1.287 103 S CA -0.344 57.880 58.200 0.040 0.000 0.990 103 S CB 1.498 64.699 63.200 0.002 0.000 0.950 103 S HN 0.728 nan 8.310 nan 0.000 0.561 104 S N 1.507 117.073 115.700 -0.223 0.000 2.348 104 S HA -0.023 4.448 4.470 0.002 0.000 0.221 104 S C 2.188 176.368 174.600 -0.700 0.000 1.033 104 S CA 1.279 59.103 58.200 -0.627 0.000 1.010 104 S CB -1.315 61.619 63.200 -0.443 0.000 0.891 104 S HN 0.959 nan 8.310 nan 0.000 0.442 105 G N 1.816 110.462 108.800 -0.256 0.000 2.442 105 G HA2 -0.253 3.708 3.960 0.002 0.000 0.219 105 G HA3 -0.253 3.708 3.960 0.002 0.000 0.219 105 G C 1.019 175.931 174.900 0.021 0.000 1.141 105 G CA 1.198 46.275 45.100 -0.040 0.000 0.763 105 G HN 0.380 nan 8.290 nan 0.000 0.554 106 D N -0.204 120.210 120.400 0.023 0.000 2.144 106 D HA -0.061 4.581 4.640 0.002 0.000 0.200 106 D C 2.364 178.762 176.300 0.164 0.000 0.978 106 D CA 0.416 54.582 54.000 0.278 0.000 0.833 106 D CB -0.243 40.812 40.800 0.424 0.000 0.961 106 D HN 0.260 nan 8.370 nan 0.000 0.470 107 L N -0.083 121.040 121.223 -0.167 0.000 2.027 107 L HA -0.105 4.236 4.340 0.002 0.000 0.206 107 L C 1.922 178.732 176.870 -0.099 0.000 1.074 107 L CA 1.472 56.136 54.840 -0.293 0.000 0.745 107 L CB -0.628 41.043 42.059 -0.646 0.000 0.898 107 L HN -0.132 nan 8.230 nan 0.000 0.433 108 F N 0.195 120.130 119.950 -0.025 0.000 2.126 108 F HA -0.213 4.315 4.527 0.002 0.000 0.299 108 F C 2.965 178.787 175.800 0.036 0.000 1.096 108 F CA 1.273 59.283 58.000 0.017 0.000 1.255 108 F CB -1.766 37.270 39.000 0.060 0.000 0.997 108 F HN 0.388 nan 8.300 nan 0.000 0.479 109 S N 0.105 115.984 115.700 0.298 0.000 2.371 109 S HA -0.140 4.331 4.470 0.002 0.000 0.224 109 S C 2.021 176.715 174.600 0.156 0.000 1.029 109 S CA 0.916 59.278 58.200 0.270 0.000 0.978 109 S CB -1.030 62.389 63.200 0.364 0.000 0.833 109 S HN 0.269 nan 8.310 nan 0.000 0.466 110 L N 2.791 123.999 121.223 -0.026 0.000 2.131 110 L HA 0.209 4.550 4.340 0.002 0.000 0.210 110 L C 2.407 179.134 176.870 -0.238 0.000 1.092 110 L CA 1.803 56.385 54.840 -0.430 0.000 0.759 110 L CB -1.381 40.236 42.059 -0.737 0.000 0.903 110 L HN 0.396 nan 8.230 nan 0.000 0.435 111 G N -0.918 107.813 108.800 -0.115 0.000 2.442 111 G HA2 -0.253 3.708 3.960 0.002 0.000 0.219 111 G HA3 -0.253 3.708 3.960 0.002 0.000 0.219 111 G C 1.508 176.384 174.900 -0.039 0.000 1.141 111 G CA 0.637 45.684 45.100 -0.089 0.000 0.763 111 G HN 0.587 nan 8.290 nan 0.000 0.554 112 G N 0.194 109.045 108.800 0.084 0.000 2.402 112 G HA2 -0.099 3.862 3.960 0.002 0.000 0.216 112 G HA3 -0.099 3.862 3.960 0.002 0.000 0.216 112 G C 1.764 176.809 174.900 0.241 0.000 1.162 112 G CA 1.100 46.336 45.100 0.227 0.000 0.777 112 G HN 0.319 nan 8.290 nan 0.000 0.539 113 V N 1.163 121.202 119.914 0.209 0.000 2.343 113 V HA -0.172 3.949 4.120 0.002 0.000 0.247 113 V C 3.180 179.312 176.094 0.064 0.000 1.051 113 V CA 2.338 64.763 62.300 0.209 0.000 1.036 113 V CB -0.842 31.099 31.823 0.197 0.000 0.654 113 V HN 0.400 nan 8.190 nan 0.000 0.451 114 T N 0.418 114.898 114.554 -0.123 0.000 2.746 114 T HA -0.161 4.190 4.350 0.002 0.000 0.267 114 T C 2.079 176.638 174.700 -0.235 0.000 1.039 114 T CA 1.539 63.405 62.100 -0.391 0.000 1.142 114 T CB -0.461 67.958 68.868 -0.749 0.000 0.866 114 T HN 0.566 nan 8.240 nan 0.000 0.444 115 A N 1.342 124.069 122.820 -0.156 0.000 1.851 115 A HA -0.101 4.220 4.320 0.002 0.000 0.216 115 A C 2.618 180.138 177.584 -0.107 0.000 1.195 115 A CA 1.792 53.761 52.037 -0.113 0.000 0.622 115 A CB -1.271 17.683 19.000 -0.076 0.000 0.831 115 A HN 0.325 nan 8.150 nan 0.000 0.444 116 V N 0.135 119.965 119.914 -0.140 0.000 2.252 116 V HA -0.379 3.742 4.120 0.002 0.000 0.249 116 V C 2.724 178.633 176.094 -0.308 0.000 1.056 116 V CA 2.488 64.590 62.300 -0.329 0.000 1.022 116 V CB -1.032 30.509 31.823 -0.470 0.000 0.641 116 V HN 0.654 nan 8.190 nan 0.000 0.445 117 Q N -0.779 118.931 119.800 -0.150 0.000 2.079 117 Q HA -0.183 4.158 4.340 0.002 0.000 0.200 117 Q C 2.223 178.218 176.000 -0.008 0.000 0.974 117 Q CA 1.240 57.009 55.803 -0.056 0.000 0.840 117 Q CB -0.183 28.636 28.738 0.136 0.000 0.898 117 Q HN 0.605 nan 8.270 nan 0.000 0.430 118 E N 0.067 120.261 120.200 -0.011 0.000 2.418 118 E HA -0.032 4.319 4.350 0.002 0.000 0.197 118 E C 1.174 177.778 176.600 0.007 0.000 1.026 118 E CA 0.610 57.016 56.400 0.009 0.000 0.862 118 E CB 0.107 29.791 29.700 -0.027 0.000 0.799 118 E HN 0.420 nan 8.360 nan 0.000 0.518 119 M N -0.190 119.400 119.600 -0.017 0.000 2.493 119 M HA 0.050 4.531 4.480 0.002 0.000 0.244 119 M C -0.183 176.151 176.300 0.058 0.000 1.182 119 M CA 0.247 55.564 55.300 0.029 0.000 0.981 119 M CB 0.222 32.854 32.600 0.053 0.000 1.551 119 M HN -0.066 nan 8.290 nan 0.000 0.476 120 Q N -1.329 118.485 119.800 0.023 0.000 2.465 120 Q HA -0.135 4.206 4.340 0.002 0.000 0.248 120 Q C 0.528 176.521 176.000 -0.013 0.000 0.819 120 Q CA 0.293 56.128 55.803 0.054 0.000 1.219 120 Q CB -2.021 26.789 28.738 0.121 0.000 1.472 120 Q HN 0.750 nan 8.270 nan 0.000 0.630 121 G N 1.038 109.673 108.800 -0.275 0.000 2.525 121 G HA2 0.438 4.399 3.960 0.002 0.000 0.276 121 G HA3 0.438 4.399 3.960 0.002 0.000 0.276 121 G C -2.153 172.305 174.900 -0.736 0.000 1.388 121 G CA -0.492 44.096 45.100 -0.855 0.000 1.050 121 G HN 0.072 nan 8.290 nan 0.000 0.520 122 P HA 0.292 nan 4.420 nan 0.000 0.278 122 P C -0.753 176.392 177.300 -0.258 0.000 1.266 122 P CA -0.714 62.100 63.100 -0.475 0.000 0.807 122 P CB 0.904 32.338 31.700 -0.443 0.000 1.094 123 K N 0.993 121.336 120.400 -0.095 0.000 2.298 123 K HA 0.323 4.645 4.320 0.002 0.000 0.280 123 K C 0.032 176.629 176.600 -0.005 0.000 1.032 123 K CA -0.249 56.025 56.287 -0.023 0.000 0.958 123 K CB 0.152 32.657 32.500 0.007 0.000 0.978 123 K HN 0.403 nan 8.250 nan 0.000 0.472 124 I N 5.410 126.017 120.570 0.062 0.000 2.390 124 I HA 0.224 4.395 4.170 0.002 0.000 0.283 124 I C -2.252 173.953 176.117 0.148 0.000 1.016 124 I CA -2.973 58.397 61.300 0.116 0.000 1.151 124 I CB 0.955 39.089 38.000 0.224 0.000 1.293 124 I HN 0.143 nan 8.210 nan 0.000 0.458 125 P HA 0.052 nan 4.420 nan 0.000 0.268 125 P C -0.948 176.430 177.300 0.130 0.000 1.205 125 P CA 0.161 63.283 63.100 0.038 0.000 0.771 125 P CB 0.674 32.338 31.700 -0.060 0.000 0.858 126 W N 3.735 124.971 121.300 -0.105 0.000 3.032 126 W HA 0.512 5.174 4.660 0.002 0.000 0.335 126 W C -1.031 175.350 176.519 -0.230 0.000 1.154 126 W CA -0.708 56.598 57.345 -0.065 0.000 1.204 126 W CB 1.842 31.412 29.460 0.184 0.000 1.416 126 W HN 0.202 nan 8.180 nan 0.000 0.521 127 R N 3.821 123.642 120.500 -1.131 0.000 2.599 127 R HA 0.594 4.935 4.340 0.002 0.000 0.295 127 R C -0.278 174.968 176.300 -1.756 0.000 0.963 127 R CA -0.724 54.622 56.100 -1.257 0.000 0.883 127 R CB 1.292 30.947 30.300 -1.076 0.000 1.171 127 R HN 0.664 nan 8.270 nan 0.000 0.450 128 C N -0.688 117.827 119.300 -1.308 0.000 2.328 128 C HA 0.935 5.396 4.460 0.002 0.000 0.378 128 C C 1.324 176.157 174.990 -0.261 0.000 1.249 128 C CA 0.417 58.898 59.018 -0.895 0.000 2.204 128 C CB 0.659 28.011 27.740 -0.647 0.000 2.218 128 C HN 1.034 nan 8.230 nan 0.000 0.564 129 G N 0.256 109.029 108.800 -0.045 0.000 2.227 129 G HA2 -0.093 3.868 3.960 0.002 0.000 0.168 129 G HA3 -0.093 3.868 3.960 0.002 0.000 0.168 129 G C 0.003 174.867 174.900 -0.059 0.000 1.006 129 G CA -0.396 44.722 45.100 0.030 0.000 0.684 129 G HN 0.938 nan 8.290 nan 0.000 0.489 130 R N 0.138 120.557 120.500 -0.135 0.000 2.590 130 R HA 0.482 4.824 4.340 0.002 0.000 0.274 130 R C -0.241 175.763 176.300 -0.493 0.000 1.061 130 R CA 0.055 55.912 56.100 -0.405 0.000 1.081 130 R CB 1.355 31.514 30.300 -0.236 0.000 0.984 130 R HN 0.084 nan 8.270 nan 0.000 0.448 131 V N 2.800 122.111 119.914 -1.005 0.000 2.495 131 V HA 0.092 4.214 4.120 0.002 0.000 0.298 131 V C -0.506 175.384 176.094 -0.340 0.000 1.031 131 V CA -1.027 60.977 62.300 -0.495 0.000 0.871 131 V CB 1.914 33.564 31.823 -0.289 0.000 0.988 131 V HN 0.663 nan 8.190 nan 0.000 0.432 132 D N 3.048 123.379 120.400 -0.115 0.000 2.458 132 D HA 0.356 4.998 4.640 0.002 0.000 0.243 132 D C 0.535 176.882 176.300 0.079 0.000 1.146 132 D CA 0.448 54.441 54.000 -0.011 0.000 0.877 132 D CB 0.988 41.800 40.800 0.021 0.000 1.176 132 D HN 0.792 nan 8.370 nan 0.000 0.461 133 T N -1.069 113.585 114.554 0.167 0.000 2.932 133 T HA 0.682 5.033 4.350 0.002 0.000 0.289 133 T C -2.735 172.158 174.700 0.321 0.000 1.039 133 T CA -2.244 59.991 62.100 0.225 0.000 1.024 133 T CB 1.797 70.812 68.868 0.246 0.000 1.090 133 T HN -0.040 nan 8.240 nan 0.000 0.496 134 P HA 0.177 nan 4.420 nan 0.000 0.270 134 P C 0.793 177.992 177.300 -0.169 0.000 1.223 134 P CA -0.253 62.917 63.100 0.118 0.000 0.785 134 P CB 0.505 32.228 31.700 0.039 0.000 0.923 135 E N 1.403 121.155 120.200 -0.748 0.000 2.187 135 E HA -0.303 4.048 4.350 0.002 0.000 0.199 135 E C 1.746 177.995 176.600 -0.586 0.000 1.004 135 E CA 2.092 57.605 56.400 -1.479 0.000 0.813 135 E CB -0.574 28.377 29.700 -1.250 0.000 0.736 135 E HN 0.589 nan 8.360 nan 0.000 0.468 136 D N -0.490 119.738 120.400 -0.287 0.000 2.218 136 D HA -0.151 4.490 4.640 0.002 0.000 0.204 136 D C 1.901 178.163 176.300 -0.063 0.000 0.976 136 D CA 1.627 55.546 54.000 -0.135 0.000 0.853 136 D CB -1.103 nan 40.800 nan 0.000 0.939 136 D HN 0.447 nan 8.370 nan 0.000 0.481 137 T N -2.914 111.625 114.554 -0.026 0.000 3.148 137 T HA 0.148 4.499 4.350 0.002 0.000 0.253 137 T C 0.952 175.712 174.700 0.101 0.000 1.134 137 T CA 0.638 62.781 62.100 0.070 0.000 1.051 137 T CB -0.429 68.524 68.868 0.142 0.000 0.959 137 T HN 0.217 nan 8.240 nan 0.000 0.525 138 T N 5.418 120.009 114.554 0.062 0.000 2.817 138 T HA 0.323 4.674 4.350 0.002 0.000 0.295 138 T C -2.295 172.460 174.700 0.092 0.000 0.958 138 T CA -0.970 61.206 62.100 0.127 0.000 1.157 138 T CB 0.732 69.667 68.868 0.111 0.000 0.898 138 T HN 0.316 nan 8.240 nan 0.000 0.536 139 P HA 0.269 nan 4.420 nan 0.000 0.272 139 P C -0.365 176.973 177.300 0.063 0.000 1.223 139 P CA -0.492 62.656 63.100 0.079 0.000 0.784 139 P CB 0.547 32.298 31.700 0.086 0.000 0.923 140 D N 0.003 120.429 120.400 0.043 0.000 2.371 140 D HA 0.126 4.767 4.640 0.002 0.000 0.242 140 D C 0.433 176.757 176.300 0.041 0.000 1.218 140 D CA 0.055 54.077 54.000 0.038 0.000 0.945 140 D CB -0.000 40.815 40.800 0.026 0.000 1.137 140 D HN 0.331 nan 8.370 nan 0.000 0.464 141 N N -0.539 118.184 118.700 0.039 0.000 2.399 141 N HA 0.353 5.094 4.740 0.002 0.000 0.250 141 N C 0.895 176.427 175.510 0.036 0.000 1.272 141 N CA 0.142 53.215 53.050 0.037 0.000 0.928 141 N CB 0.697 39.206 38.487 0.036 0.000 1.158 141 N HN 0.596 nan 8.380 nan 0.000 0.463 142 G N -0.025 108.797 108.800 0.037 0.000 2.184 142 G HA2 -0.240 3.721 3.960 0.002 0.000 0.206 142 G HA3 -0.240 3.721 3.960 0.002 0.000 0.206 142 G C 0.739 175.682 174.900 0.072 0.000 0.995 142 G CA -0.310 44.822 45.100 0.053 0.000 0.651 142 G HN 0.561 nan 8.290 nan 0.000 0.511 143 R N -0.410 120.123 120.500 0.055 0.000 2.300 143 R HA 0.397 4.738 4.340 0.002 0.000 0.199 143 R C 0.915 177.312 176.300 0.162 0.000 0.920 143 R CA 0.029 56.176 56.100 0.079 0.000 1.046 143 R CB 0.204 30.522 30.300 0.029 0.000 0.984 143 R HN 0.380 nan 8.270 nan 0.000 0.493 144 L N 2.453 123.710 121.223 0.057 0.000 2.379 144 L HA 0.334 4.676 4.340 0.002 0.000 0.269 144 L C -1.941 174.925 176.870 -0.007 0.000 1.084 144 L CA -2.296 52.517 54.840 -0.046 0.000 0.802 144 L CB 0.612 42.445 42.059 -0.377 0.000 1.175 144 L HN -0.130 nan 8.230 nan 0.000 0.448 145 P HA 0.139 nan 4.420 nan 0.000 0.274 145 P C -1.333 175.956 177.300 -0.020 0.000 1.231 145 P CA -0.457 62.440 63.100 -0.337 0.000 0.790 145 P CB 0.826 31.995 31.700 -0.884 0.000 0.951 146 D N 0.373 120.807 120.400 0.057 0.000 2.253 146 D HA 0.327 4.968 4.640 0.002 0.000 0.249 146 D C 0.850 177.104 176.300 -0.076 0.000 1.049 146 D CA -0.405 53.572 54.000 -0.038 0.000 0.929 146 D CB 1.494 42.204 40.800 -0.149 0.000 1.176 146 D HN 0.339 nan 8.370 nan 0.000 0.437 147 A N 0.961 123.771 122.820 -0.016 0.000 2.169 147 A HA -0.033 4.288 4.320 0.002 0.000 0.210 147 A C 0.808 178.382 177.584 -0.017 0.000 1.168 147 A CA 0.070 52.086 52.037 -0.034 0.000 0.813 147 A CB 0.081 18.994 19.000 -0.145 0.000 0.861 147 A HN 0.492 nan 8.150 nan 0.000 0.481 148 D N -0.293 120.116 120.400 0.015 0.000 2.676 148 D HA 0.257 4.898 4.640 0.002 0.000 0.239 148 D C 0.142 176.424 176.300 -0.031 0.000 1.213 148 D CA 0.129 54.158 54.000 0.049 0.000 0.835 148 D CB 0.082 40.929 40.800 0.080 0.000 1.009 148 D HN -0.040 nan 8.370 nan 0.000 0.479 149 K N 0.285 120.631 120.400 -0.089 0.000 2.279 149 K HA 0.480 4.802 4.320 0.002 0.000 0.238 149 K C -0.233 176.413 176.600 0.077 0.000 1.084 149 K CA -0.761 55.464 56.287 -0.103 0.000 0.885 149 K CB 0.959 33.190 32.500 -0.448 0.000 1.319 149 K HN 0.107 nan 8.250 nan 0.000 0.494 150 D N -1.471 119.020 120.400 0.152 0.000 2.650 150 D HA 0.416 5.057 4.640 0.002 0.000 0.255 150 D C 0.600 177.074 176.300 0.290 0.000 1.135 150 D CA -0.534 53.592 54.000 0.210 0.000 1.099 150 D CB 0.096 41.006 40.800 0.183 0.000 1.273 150 D HN 0.318 nan 8.370 nan 0.000 0.628 151 A N -0.293 122.689 122.820 0.269 0.000 1.958 151 A HA -0.055 4.266 4.320 0.002 0.000 0.221 151 A C 2.039 179.813 177.584 0.318 0.000 1.178 151 A CA 2.566 54.810 52.037 0.345 0.000 0.642 151 A CB -1.668 17.505 19.000 0.289 0.000 0.816 151 A HN 0.673 nan 8.150 nan 0.000 0.453 152 G N -2.157 106.784 108.800 0.234 0.000 2.403 152 G HA2 -0.198 3.763 3.960 0.002 0.000 0.216 152 G HA3 -0.198 3.763 3.960 0.002 0.000 0.216 152 G C 1.519 176.568 174.900 0.248 0.000 1.154 152 G CA 1.149 46.365 45.100 0.192 0.000 0.784 152 G HN 0.625 nan 8.290 nan 0.000 0.538 153 Y N 1.244 121.652 120.300 0.181 0.000 2.114 153 Y HA -0.146 4.405 4.550 0.002 0.000 0.284 153 Y C 2.804 178.868 175.900 0.274 0.000 1.143 153 Y CA 1.804 60.022 58.100 0.196 0.000 1.135 153 Y CB -0.373 38.183 38.460 0.160 0.000 0.980 153 Y HN 0.025 nan 8.280 nan 0.000 0.499 154 V N 1.165 121.340 119.914 0.435 0.000 2.287 154 V HA -0.357 3.764 4.120 0.002 0.000 0.248 154 V C 2.569 178.957 176.094 0.490 0.000 1.053 154 V CA 2.428 65.002 62.300 0.456 0.000 1.027 154 V CB -0.799 31.305 31.823 0.468 0.000 0.646 154 V HN 0.400 nan 8.190 nan 0.000 0.447 155 R N -0.450 120.309 120.500 0.432 0.000 2.083 155 R HA -0.182 4.159 4.340 0.002 0.000 0.237 155 R C 2.423 178.871 176.300 0.246 0.000 1.137 155 R CA 2.266 58.584 56.100 0.363 0.000 0.951 155 R CB -0.573 29.852 30.300 0.210 0.000 0.851 155 R HN 0.518 nan 8.270 nan 0.000 0.434 156 T N 0.622 115.266 114.554 0.150 0.000 2.708 156 T HA -0.167 4.184 4.350 0.002 0.000 0.266 156 T C 1.317 176.017 174.700 0.000 0.000 1.037 156 T CA 1.535 63.671 62.100 0.059 0.000 1.146 156 T CB -0.387 68.497 68.868 0.027 0.000 0.865 156 T HN 0.286 nan 8.240 nan 0.000 0.435 157 F N 1.213 121.036 119.950 -0.212 0.000 2.043 157 F HA -0.153 4.375 4.527 0.002 0.000 0.297 157 F C 1.723 177.425 175.800 -0.164 0.000 1.121 157 F CA 1.479 59.287 58.000 -0.320 0.000 1.199 157 F CB -0.555 38.099 39.000 -0.577 0.000 0.968 157 F HN 0.110 nan 8.300 nan 0.000 0.478 158 F N 0.429 120.521 119.950 0.236 0.000 2.408 158 F HA -0.167 4.361 4.527 0.002 0.000 0.300 158 F C 2.424 178.243 175.800 0.032 0.000 1.090 158 F CA 1.043 59.156 58.000 0.188 0.000 1.427 158 F CB -0.669 38.495 39.000 0.273 0.000 1.070 158 F HN 0.104 nan 8.300 nan 0.000 0.549 159 Q N -0.026 119.854 119.800 0.133 0.000 2.224 159 Q HA -0.136 4.205 4.340 0.002 0.000 0.203 159 Q C 2.336 178.301 176.000 -0.058 0.000 0.970 159 Q CA 0.737 56.578 55.803 0.063 0.000 0.865 159 Q CB -0.362 28.404 28.738 0.047 0.000 0.922 159 Q HN 0.390 nan 8.270 nan 0.000 0.445 160 R N 0.220 120.605 120.500 -0.192 0.000 2.193 160 R HA -0.049 4.293 4.340 0.002 0.000 0.229 160 R C 1.326 177.467 176.300 -0.266 0.000 1.110 160 R CA 0.673 56.584 56.100 -0.315 0.000 0.988 160 R CB 0.096 30.125 30.300 -0.451 0.000 0.871 160 R HN 0.208 nan 8.270 nan 0.000 0.458 161 L N 0.157 121.360 121.223 -0.034 0.000 2.700 161 L HA 0.145 4.487 4.340 0.002 0.000 0.234 161 L C 0.267 177.349 176.870 0.352 0.000 1.156 161 L CA -0.186 54.828 54.840 0.289 0.000 0.946 161 L CB 0.059 42.340 42.059 0.370 0.000 1.216 161 L HN 0.221 nan 8.230 nan 0.000 0.493 162 N N 0.665 119.479 118.700 0.190 0.000 2.782 162 N HA -0.144 4.597 4.740 0.002 0.000 0.251 162 N C -0.228 175.384 175.510 0.170 0.000 1.101 162 N CA 0.880 54.036 53.050 0.177 0.000 0.764 162 N CB -0.283 38.350 38.487 0.243 0.000 1.122 162 N HN 0.220 nan 8.380 nan 0.000 0.561 163 M N 1.083 120.808 119.600 0.209 0.000 2.300 163 M HA 0.251 4.732 4.480 0.002 0.000 0.348 163 M C 0.836 177.222 176.300 0.144 0.000 1.151 163 M CA -0.496 54.907 55.300 0.170 0.000 1.046 163 M CB 1.403 34.127 32.600 0.207 0.000 1.647 163 M HN 0.137 nan 8.290 nan 0.000 0.451 164 N N 1.309 120.071 118.700 0.102 0.000 2.476 164 N HA 0.197 4.938 4.740 0.002 0.000 0.287 164 N C 0.148 175.731 175.510 0.121 0.000 1.262 164 N CA -0.326 52.786 53.050 0.103 0.000 0.980 164 N CB 0.351 38.884 38.487 0.077 0.000 1.163 164 N HN 0.366 nan 8.380 nan 0.000 0.592 165 D N -0.388 120.100 120.400 0.147 0.000 2.106 165 D HA -0.213 4.428 4.640 0.002 0.000 0.191 165 D C 1.766 178.179 176.300 0.187 0.000 0.997 165 D CA 1.603 55.752 54.000 0.248 0.000 0.834 165 D CB -0.279 40.628 40.800 0.179 0.000 0.956 165 D HN 0.695 nan 8.370 nan 0.000 0.448 166 R N 1.026 121.601 120.500 0.124 0.000 2.091 166 R HA -0.168 4.173 4.340 0.002 0.000 0.238 166 R C 1.980 178.364 176.300 0.140 0.000 1.136 166 R CA 1.593 57.768 56.100 0.126 0.000 0.959 166 R CB -0.049 30.316 30.300 0.109 0.000 0.856 166 R HN 0.225 nan 8.270 nan 0.000 0.437 167 E N -0.223 120.023 120.200 0.077 0.000 2.051 167 E HA -0.175 4.176 4.350 0.002 0.000 0.192 167 E C 2.056 178.602 176.600 -0.090 0.000 0.991 167 E CA 1.644 58.056 56.400 0.019 0.000 0.799 167 E CB -0.046 29.660 29.700 0.010 0.000 0.748 167 E HN 0.168 nan 8.360 nan 0.000 0.449 168 V N 1.059 120.861 119.914 -0.186 0.000 2.255 168 V HA -0.266 3.855 4.120 0.002 0.000 0.247 168 V C 2.367 178.268 176.094 -0.322 0.000 1.051 168 V CA 1.591 63.599 62.300 -0.487 0.000 1.018 168 V CB -0.471 31.096 31.823 -0.427 0.000 0.641 168 V HN 0.141 nan 8.190 nan 0.000 0.445 169 V N 0.159 120.013 119.914 -0.101 0.000 2.343 169 V HA -0.243 3.878 4.120 0.002 0.000 0.247 169 V C 2.697 179.003 176.094 0.353 0.000 1.051 169 V CA 1.949 64.307 62.300 0.096 0.000 1.036 169 V CB -1.229 30.694 31.823 0.166 0.000 0.654 169 V HN 0.559 nan 8.190 nan 0.000 0.451 170 A N -0.067 122.995 122.820 0.404 0.000 1.865 170 A HA -0.198 4.123 4.320 0.002 0.000 0.217 170 A C 2.241 180.111 177.584 0.477 0.000 1.191 170 A CA 2.023 54.343 52.037 0.471 0.000 0.623 170 A CB -0.658 18.520 19.000 0.296 0.000 0.826 170 A HN 0.486 nan 8.150 nan 0.000 0.444 171 L N -1.982 119.330 121.223 0.148 0.000 2.079 171 L HA -0.200 4.141 4.340 0.002 0.000 0.210 171 L C 2.754 179.559 176.870 -0.110 0.000 1.081 171 L CA 1.713 56.570 54.840 0.027 0.000 0.752 171 L CB -0.369 41.552 42.059 -0.230 0.000 0.896 171 L HN 0.425 nan 8.230 nan 0.000 0.433 172 M N -0.040 119.390 119.600 -0.282 0.000 2.374 172 M HA -0.063 4.418 4.480 0.002 0.000 0.264 172 M C 1.888 177.565 176.300 -1.038 0.000 1.067 172 M CA 1.211 56.128 55.300 -0.637 0.000 1.103 172 M CB -0.519 31.770 32.600 -0.520 0.000 1.402 172 M HN 0.160 nan 8.290 nan 0.000 0.444 173 G N -0.915 107.523 108.800 -0.603 0.000 2.615 173 G HA2 -0.046 3.915 3.960 0.002 0.000 0.213 173 G HA3 -0.046 3.915 3.960 0.002 0.000 0.213 173 G C 1.391 175.885 174.900 -0.677 0.000 1.135 173 G CA 0.739 45.320 45.100 -0.866 0.000 0.772 173 G HN 0.602 nan 8.290 nan 0.000 0.542 174 A N -0.227 122.284 122.820 -0.514 0.000 2.119 174 A HA 0.071 4.393 4.320 0.002 0.000 0.217 174 A C 1.731 179.139 177.584 -0.294 0.000 1.153 174 A CA 0.714 52.530 52.037 -0.368 0.000 0.692 174 A CB -0.547 18.374 19.000 -0.131 0.000 0.799 174 A HN 0.596 nan 8.150 nan 0.000 0.458 175 H N -0.929 117.782 119.070 -0.597 0.000 2.567 175 H HA 0.087 4.644 4.556 0.002 0.000 0.276 175 H C 2.129 177.322 175.328 -0.225 0.000 1.016 175 H CA 0.150 55.937 56.048 -0.435 0.000 1.186 175 H CB 0.202 29.665 29.762 -0.499 0.000 1.351 175 H HN 0.594 nan 8.280 nan 0.000 0.605 176 A N 0.787 123.496 122.820 -0.185 0.000 2.066 176 A HA 0.023 4.344 4.320 0.002 0.000 0.218 176 A C 0.856 178.385 177.584 -0.092 0.000 1.157 176 A CA 0.289 52.257 52.037 -0.115 0.000 0.670 176 A CB -0.169 18.692 19.000 -0.231 0.000 0.804 176 A HN 0.178 nan 8.150 nan 0.000 0.453 177 L N -1.374 119.793 121.223 -0.095 0.000 2.357 177 L HA 0.633 4.974 4.340 0.002 0.000 0.273 177 L C 1.310 178.180 176.870 0.000 0.000 1.080 177 L CA -0.003 54.816 54.840 -0.036 0.000 0.803 177 L CB 0.393 42.443 42.059 -0.015 0.000 1.174 177 L HN 0.481 nan 8.230 nan 0.000 0.443 178 G N 1.869 110.674 108.800 0.008 0.000 2.564 178 G HA2 -0.241 3.721 3.960 0.002 0.000 0.273 178 G HA3 -0.241 3.721 3.960 0.002 0.000 0.273 178 G C -0.495 174.382 174.900 -0.038 0.000 1.242 178 G CA 0.510 45.616 45.100 0.011 0.000 0.951 178 G HN 1.099 nan 8.290 nan 0.000 0.564 179 K N -1.850 118.509 120.400 -0.068 0.000 2.617 179 K HA 0.676 4.997 4.320 0.002 0.000 0.293 179 K C -0.275 176.174 176.600 -0.253 0.000 1.034 179 K CA -0.125 56.049 56.287 -0.188 0.000 0.884 179 K CB 1.005 33.331 32.500 -0.289 0.000 1.541 179 K HN 1.359 nan 8.250 nan 0.000 0.409 180 T N -1.012 113.367 114.554 -0.291 0.000 2.918 180 T HA 0.482 4.833 4.350 0.002 0.000 0.283 180 T C -0.745 173.707 174.700 -0.415 0.000 1.001 180 T CA -0.436 61.557 62.100 -0.179 0.000 1.041 180 T CB 0.558 69.400 68.868 -0.044 0.000 1.028 180 T HN 0.618 nan 8.240 nan 0.000 0.511 181 H N 1.018 120.095 119.070 0.011 0.000 2.823 181 H HA 0.416 4.973 4.556 0.002 0.000 0.332 181 H C 0.536 175.876 175.328 0.020 0.000 0.980 181 H CA -0.857 55.191 56.048 -0.001 0.000 1.286 181 H CB 1.481 31.239 29.762 -0.007 0.000 1.541 181 H HN 0.475 nan 8.280 nan 0.000 0.521 182 L N 2.366 123.642 121.223 0.089 0.000 2.043 182 L HA -0.193 4.148 4.340 0.002 0.000 0.212 182 L C 1.880 178.782 176.870 0.054 0.000 1.075 182 L CA 1.893 56.765 54.840 0.052 0.000 0.752 182 L CB -0.110 41.964 42.059 0.024 0.000 0.891 182 L HN 0.543 nan 8.230 nan 0.000 0.432 183 K N -1.070 119.372 120.400 0.070 0.000 2.283 183 K HA -0.092 4.229 4.320 0.002 0.000 0.202 183 K C 1.711 178.340 176.600 0.049 0.000 1.048 183 K CA 0.961 57.276 56.287 0.047 0.000 0.948 183 K CB 0.021 32.546 32.500 0.041 0.000 0.742 183 K HN 0.374 nan 8.250 nan 0.000 0.458 184 N N -0.723 118.026 118.700 0.082 0.000 2.197 184 N HA -0.066 4.675 4.740 0.002 0.000 0.184 184 N C 1.421 176.983 175.510 0.088 0.000 1.030 184 N CA 1.608 54.700 53.050 0.069 0.000 0.851 184 N CB 0.145 38.674 38.487 0.071 0.000 1.003 184 N HN 0.128 nan 8.380 nan 0.000 0.430 185 S N -2.349 113.429 115.700 0.130 0.000 2.632 185 S HA 0.418 4.889 4.470 0.002 0.000 0.237 185 S C 1.193 175.852 174.600 0.099 0.000 1.037 185 S CA 0.290 58.591 58.200 0.169 0.000 1.009 185 S CB 1.160 64.537 63.200 0.294 0.000 0.974 185 S HN 0.393 nan 8.310 nan 0.000 0.544 186 G N 0.390 109.187 108.800 -0.004 0.000 2.141 186 G HA2 -0.221 3.741 3.960 0.002 0.000 0.231 186 G HA3 -0.221 3.741 3.960 0.002 0.000 0.231 186 G C -0.307 174.309 174.900 -0.473 0.000 0.984 186 G CA 0.088 45.062 45.100 -0.210 0.000 0.660 186 G HN 0.539 nan 8.290 nan 0.000 0.525 187 Y N -0.273 120.029 120.300 0.004 0.000 2.524 187 Y HA 0.741 5.292 4.550 0.002 0.000 0.344 187 Y C 0.284 176.158 175.900 -0.043 0.000 1.012 187 Y CA -0.986 57.104 58.100 -0.017 0.000 1.068 187 Y CB 1.929 40.374 38.460 -0.024 0.000 1.249 187 Y HN 0.197 nan 8.280 nan 0.000 0.468 188 E N 0.694 120.950 120.200 0.094 0.000 2.293 188 E HA 0.646 4.997 4.350 0.002 0.000 0.270 188 E C -0.560 175.894 176.600 -0.243 0.000 0.879 188 E CA -0.423 55.949 56.400 -0.047 0.000 0.756 188 E CB 2.009 31.726 29.700 0.027 0.000 1.208 188 E HN 0.925 nan 8.360 nan 0.000 0.428 189 G N 2.951 111.462 108.800 -0.481 0.000 2.541 189 G HA2 -0.097 3.864 3.960 0.002 0.000 0.686 189 G HA3 -0.097 3.864 3.960 0.002 0.000 0.686 189 G C -2.920 171.762 174.900 -0.363 0.000 1.286 189 G CA -0.612 44.044 45.100 -0.740 0.000 0.894 189 G HN 0.468 nan 8.290 nan 0.000 0.575 190 P HA 0.393 nan 4.420 nan 0.000 0.274 190 P C -0.861 176.200 177.300 -0.399 0.000 1.256 190 P CA -0.188 62.736 63.100 -0.293 0.000 0.795 190 P CB 0.236 31.951 31.700 0.025 0.000 1.038 191 Y N -0.555 119.731 120.300 -0.023 0.000 2.535 191 Y HA 0.475 5.026 4.550 0.002 0.000 0.349 191 Y C 1.392 177.253 175.900 -0.066 0.000 0.992 191 Y CA 0.060 58.130 58.100 -0.051 0.000 1.248 191 Y CB -0.077 38.349 38.460 -0.058 0.000 1.124 191 Y HN 0.363 nan 8.280 nan 0.000 0.520 192 G N 1.977 110.809 108.800 0.054 0.000 3.302 192 G HA2 0.506 4.467 3.960 0.002 0.000 0.338 192 G HA3 0.506 4.467 3.960 0.002 0.000 0.338 192 G C 0.692 175.593 174.900 0.000 0.000 1.405 192 G CA -0.030 45.066 45.100 -0.006 0.000 1.090 192 G HN 0.925 nan 8.290 nan 0.000 0.482 193 A N 2.700 125.525 122.820 0.009 0.000 2.670 193 A HA 0.120 4.442 4.320 0.002 0.000 0.276 193 A C 1.935 179.528 177.584 0.014 0.000 1.338 193 A CA 2.487 54.541 52.037 0.029 0.000 1.103 193 A CB -1.323 17.721 19.000 0.073 0.000 0.491 193 A HN 2.860 nan 8.150 nan 0.000 0.413 194 A N -1.740 121.092 122.820 0.019 0.000 2.596 194 A HA 0.050 4.372 4.320 0.002 0.000 0.587 194 A C 0.048 177.649 177.584 0.029 0.000 1.658 194 A CA 1.451 53.496 52.037 0.014 0.000 1.880 194 A CB -1.364 17.619 19.000 -0.029 0.000 2.368 194 A HN 2.404 nan 8.150 nan 0.000 0.550 195 N N 0.882 119.600 118.700 0.029 0.000 2.430 195 N HA 0.696 5.437 4.740 0.002 0.000 0.298 195 N C 0.069 175.593 175.510 0.024 0.000 1.130 195 N CA -0.100 52.968 53.050 0.029 0.000 0.894 195 N CB 0.893 39.395 38.487 0.026 0.000 1.209 195 N HN 0.885 nan 8.380 nan 0.000 0.503 196 N N 0.901 119.622 118.700 0.035 0.000 2.475 196 N HA 0.164 4.906 4.740 0.002 0.000 0.272 196 N C -1.852 173.694 175.510 0.061 0.000 1.482 196 N CA -0.292 52.784 53.050 0.043 0.000 0.863 196 N CB 0.040 38.552 38.487 0.041 0.000 1.400 196 N HN 0.159 nan 8.380 nan 0.000 0.489 197 V N 0.955 120.908 119.914 0.066 0.000 2.604 197 V HA 0.476 4.597 4.120 0.002 0.000 0.305 197 V C -0.910 175.259 176.094 0.126 0.000 1.043 197 V CA -0.925 61.435 62.300 0.100 0.000 0.888 197 V CB 1.830 33.708 31.823 0.091 0.000 0.995 197 V HN 0.232 nan 8.190 nan 0.000 0.429 198 F N 4.988 124.941 119.950 0.005 0.000 2.413 198 F HA 0.595 5.123 4.527 0.002 0.000 0.359 198 F C 0.662 176.575 175.800 0.189 0.000 1.122 198 F CA 0.302 58.294 58.000 -0.013 0.000 1.160 198 F CB 0.759 39.636 39.000 -0.204 0.000 1.146 198 F HN 0.727 nan 8.300 nan 0.000 0.514 199 T N 1.158 115.761 114.554 0.082 0.000 2.696 199 T HA 0.246 4.597 4.350 0.002 0.000 0.291 199 T C 0.165 174.978 174.700 0.189 0.000 1.095 199 T CA -0.814 61.439 62.100 0.254 0.000 1.026 199 T CB 1.233 70.165 68.868 0.108 0.000 1.390 199 T HN 0.433 nan 8.240 nan 0.000 0.513 200 N N -0.389 118.411 118.700 0.167 0.000 2.362 200 N HA 0.033 4.774 4.740 0.002 0.000 0.204 200 N C 0.953 176.463 175.510 -0.000 0.000 1.166 200 N CA 0.056 53.131 53.050 0.042 0.000 0.831 200 N CB -0.191 38.334 38.487 0.063 0.000 1.008 200 N HN 0.854 nan 8.380 nan 0.000 0.472 201 E N 0.246 120.417 120.200 -0.047 0.000 2.147 201 E HA -0.275 4.077 4.350 0.002 0.000 0.199 201 E C 1.123 177.640 176.600 -0.139 0.000 1.005 201 E CA 1.040 57.388 56.400 -0.087 0.000 0.810 201 E CB -0.247 29.396 29.700 -0.095 0.000 0.736 201 E HN 0.423 nan 8.360 nan 0.000 0.460 202 F N 0.399 120.109 119.950 -0.400 0.000 2.091 202 F HA -0.299 4.229 4.527 0.002 0.000 0.299 202 F C 1.627 177.161 175.800 -0.443 0.000 1.103 202 F CA 1.904 59.601 58.000 -0.506 0.000 1.228 202 F CB -0.517 38.007 39.000 -0.793 0.000 0.984 202 F HN 0.095 nan 8.300 nan 0.000 0.477 203 Y N 0.179 120.378 120.300 -0.169 0.000 2.163 203 Y HA -0.166 4.385 4.550 0.002 0.000 0.288 203 Y C 2.405 178.188 175.900 -0.194 0.000 1.136 203 Y CA 1.563 59.530 58.100 -0.221 0.000 1.147 203 Y CB -1.155 37.237 38.460 -0.114 0.000 0.987 203 Y HN 0.048 nan 8.280 nan 0.000 0.509 204 L N -0.155 121.063 121.223 -0.007 0.000 2.017 204 L HA -0.261 4.080 4.340 0.002 0.000 0.208 204 L C 2.090 178.922 176.870 -0.063 0.000 1.073 204 L CA 1.455 56.277 54.840 -0.030 0.000 0.745 204 L CB -0.625 41.417 42.059 -0.029 0.000 0.894 204 L HN 0.216 nan 8.230 nan 0.000 0.432 205 N N -0.151 118.472 118.700 -0.129 0.000 2.166 205 N HA -0.181 4.560 4.740 0.002 0.000 0.186 205 N C 1.699 177.304 175.510 0.159 0.000 1.019 205 N CA 1.047 54.050 53.050 -0.080 0.000 0.856 205 N CB -0.388 37.975 38.487 -0.207 0.000 0.993 205 N HN 0.099 nan 8.380 nan 0.000 0.426 206 L N 0.633 121.826 121.223 -0.049 0.000 2.093 206 L HA 0.017 4.359 4.340 0.002 0.000 0.208 206 L C 1.827 178.756 176.870 0.099 0.000 1.085 206 L CA 1.291 56.103 54.840 -0.047 0.000 0.755 206 L CB -0.446 41.315 42.059 -0.497 0.000 0.904 206 L HN 0.155 nan 8.230 nan 0.000 0.435 207 L N -1.681 119.550 121.223 0.014 0.000 2.270 207 L HA -0.035 4.306 4.340 0.002 0.000 0.210 207 L C 1.663 178.558 176.870 0.041 0.000 1.104 207 L CA 0.885 55.737 54.840 0.020 0.000 0.804 207 L CB -0.379 41.672 42.059 -0.013 0.000 0.937 207 L HN 0.320 nan 8.230 nan 0.000 0.450 208 N N -1.366 117.351 118.700 0.028 0.000 2.356 208 N HA 0.016 4.757 4.740 0.002 0.000 0.178 208 N C 0.350 175.820 175.510 -0.067 0.000 1.075 208 N CA -0.097 52.947 53.050 -0.012 0.000 0.889 208 N CB 0.534 39.008 38.487 -0.021 0.000 0.999 208 N HN 0.201 nan 8.380 nan 0.000 0.464 209 E N 1.076 121.187 120.200 -0.148 0.000 2.342 209 E HA 0.049 4.400 4.350 0.002 0.000 0.257 209 E C -0.805 175.519 176.600 -0.460 0.000 1.150 209 E CA 0.004 56.143 56.400 -0.436 0.000 0.926 209 E CB 0.821 29.943 29.700 -0.963 0.000 1.074 209 E HN 0.046 nan 8.360 nan 0.000 0.449 210 D N 0.815 120.946 120.400 -0.448 0.000 2.477 210 D HA 0.158 4.799 4.640 0.002 0.000 0.239 210 D C -1.220 174.961 176.300 -0.200 0.000 1.102 210 D CA -0.484 53.394 54.000 -0.203 0.000 0.901 210 D CB -0.063 40.680 40.800 -0.095 0.000 1.026 210 D HN 0.184 nan 8.370 nan 0.000 0.515 211 W N 3.437 124.833 121.300 0.159 0.000 2.266 211 W HA 0.386 5.047 4.660 0.002 0.000 0.317 211 W C 0.506 177.199 176.519 0.289 0.000 1.310 211 W CA -0.809 56.676 57.345 0.233 0.000 1.207 211 W CB 0.850 30.452 29.460 0.237 0.000 1.199 211 W HN 0.038 nan 8.180 nan 0.000 0.544 212 K N 2.706 123.397 120.400 0.485 0.000 2.292 212 K HA 0.431 4.752 4.320 0.002 0.000 0.257 212 K C -1.214 175.421 176.600 0.059 0.000 0.940 212 K CA -0.928 55.513 56.287 0.256 0.000 0.811 212 K CB 1.309 33.881 32.500 0.119 0.000 1.120 212 K HN 0.376 nan 8.250 nan 0.000 0.428 213 L N 2.579 123.632 121.223 -0.283 0.000 2.319 213 L HA 0.373 4.714 4.340 0.002 0.000 0.280 213 L C -0.729 175.897 176.870 -0.407 0.000 1.099 213 L CA 0.785 55.126 54.840 -0.831 0.000 0.828 213 L CB 0.423 41.685 42.059 -1.330 0.000 1.150 213 L HN 0.667 nan 8.230 nan 0.000 0.442 214 E N 3.465 123.454 120.200 -0.351 0.000 2.429 214 E HA 0.445 4.796 4.350 0.002 0.000 0.276 214 E C -1.320 175.181 176.600 -0.165 0.000 0.953 214 E CA -1.086 55.201 56.400 -0.188 0.000 0.787 214 E CB 1.788 31.435 29.700 -0.089 0.000 1.307 214 E HN 0.416 nan 8.360 nan 0.000 0.458 215 K N 1.601 121.933 120.400 -0.113 0.000 2.138 215 K HA 0.290 4.611 4.320 0.002 0.000 0.263 215 K C -0.490 176.071 176.600 -0.065 0.000 0.965 215 K CA -0.511 55.719 56.287 -0.094 0.000 0.868 215 K CB 0.941 33.390 32.500 -0.084 0.000 1.083 215 K HN 0.493 nan 8.250 nan 0.000 0.443 216 N N 0.433 119.092 118.700 -0.068 0.000 2.604 216 N HA 0.101 4.843 4.740 0.002 0.000 0.297 216 N C 0.320 175.797 175.510 -0.055 0.000 1.266 216 N CA -0.387 52.638 53.050 -0.043 0.000 0.961 216 N CB 0.328 38.795 38.487 -0.034 0.000 1.166 216 N HN 0.332 nan 8.380 nan 0.000 0.601 217 D N -0.893 119.486 120.400 -0.035 0.000 2.265 217 D HA -0.102 4.539 4.640 0.002 0.000 0.208 217 D C 0.943 177.208 176.300 -0.058 0.000 0.977 217 D CA 1.340 55.318 54.000 -0.037 0.000 0.871 217 D CB -0.228 40.562 40.800 -0.017 0.000 0.925 217 D HN 0.688 nan 8.370 nan 0.000 0.485 218 A N 0.110 122.875 122.820 -0.092 0.000 2.307 218 A HA 0.074 4.395 4.320 0.002 0.000 0.218 218 A C 0.733 178.245 177.584 -0.121 0.000 1.228 218 A CA 0.118 52.088 52.037 -0.112 0.000 0.857 218 A CB -0.311 18.594 19.000 -0.158 0.000 0.897 218 A HN 0.205 nan 8.150 nan 0.000 0.495 219 N N -0.986 117.649 118.700 -0.109 0.000 2.869 219 N HA -0.120 4.621 4.740 0.002 0.000 0.249 219 N C -1.120 174.317 175.510 -0.122 0.000 1.104 219 N CA 0.798 53.789 53.050 -0.097 0.000 0.760 219 N CB -1.109 37.335 38.487 -0.073 0.000 1.108 219 N HN 0.557 nan 8.380 nan 0.000 0.555 220 N N 0.693 119.287 118.700 -0.177 0.000 2.319 220 N HA 0.257 4.999 4.740 0.002 0.000 0.305 220 N C -0.687 174.751 175.510 -0.121 0.000 1.103 220 N CA -0.432 52.501 53.050 -0.195 0.000 0.815 220 N CB 1.051 39.251 38.487 -0.478 0.000 1.288 220 N HN 0.128 nan 8.380 nan 0.000 0.493 221 E N 1.071 121.242 120.200 -0.049 0.000 2.313 221 E HA 0.219 4.570 4.350 0.002 0.000 0.272 221 E C -0.165 176.445 176.600 0.017 0.000 1.038 221 E CA -0.284 56.068 56.400 -0.081 0.000 0.863 221 E CB 1.306 30.916 29.700 -0.149 0.000 1.060 221 E HN 0.533 nan 8.360 nan 0.000 0.402 222 Q N 0.464 120.192 119.800 -0.119 0.000 2.522 222 Q HA 0.407 4.748 4.340 0.002 0.000 0.285 222 Q C -1.557 174.275 176.000 -0.280 0.000 0.982 222 Q CA -0.987 54.785 55.803 -0.051 0.000 0.805 222 Q CB 0.768 29.620 28.738 0.190 0.000 1.457 222 Q HN 0.401 nan 8.270 nan 0.000 0.394 223 W N 1.633 122.910 121.300 -0.039 0.000 2.331 223 W HA 0.423 5.084 4.660 0.002 0.000 0.306 223 W C -0.706 175.972 176.519 0.265 0.000 1.162 223 W CA 0.103 57.435 57.345 -0.022 0.000 1.232 223 W CB 1.162 30.407 29.460 -0.358 0.000 1.235 223 W HN 0.434 nan 8.180 nan 0.000 0.479 224 D N 1.723 122.424 120.400 0.501 0.000 2.256 224 D HA 0.307 4.949 4.640 0.002 0.000 0.246 224 D C -0.340 176.206 176.300 0.409 0.000 1.042 224 D CA -0.395 53.881 54.000 0.461 0.000 0.841 224 D CB 2.057 43.011 40.800 0.258 0.000 1.223 224 D HN 0.208 nan 8.370 nan 0.000 0.470 225 S N 0.594 116.426 115.700 0.220 0.000 2.578 225 S HA 0.278 4.749 4.470 0.002 0.000 0.301 225 S C 1.158 175.697 174.600 -0.102 0.000 1.091 225 S CA -0.673 57.429 58.200 -0.162 0.000 1.032 225 S CB 2.007 64.781 63.200 -0.710 0.000 1.064 225 S HN 0.465 nan 8.310 nan 0.000 0.508 226 K N 1.595 121.908 120.400 -0.145 0.000 2.026 226 K HA -0.064 4.257 4.320 0.002 0.000 0.208 226 K C 1.601 178.106 176.600 -0.158 0.000 1.048 226 K CA 1.932 58.147 56.287 -0.120 0.000 0.929 226 K CB -0.883 31.553 32.500 -0.107 0.000 0.713 226 K HN 0.462 nan 8.250 nan 0.000 0.439 227 S N 0.274 115.841 115.700 -0.221 0.000 2.571 227 S HA 0.024 4.495 4.470 0.002 0.000 0.245 227 S C 1.314 175.643 174.600 -0.452 0.000 0.976 227 S CA 0.903 58.910 58.200 -0.321 0.000 0.954 227 S CB -0.263 62.708 63.200 -0.382 0.000 0.756 227 S HN 0.781 nan 8.310 nan 0.000 0.535 228 G N -0.455 108.171 108.800 -0.289 0.000 2.179 228 G HA2 -0.234 3.727 3.960 0.002 0.000 0.220 228 G HA3 -0.234 3.727 3.960 0.002 0.000 0.220 228 G C -0.052 174.793 174.900 -0.092 0.000 0.990 228 G CA -0.262 44.752 45.100 -0.143 0.000 0.646 228 G HN 0.451 nan 8.290 nan 0.000 0.517 229 Y N 0.167 120.530 120.300 0.104 0.000 2.295 229 Y HA 0.751 5.302 4.550 0.002 0.000 0.331 229 Y C 0.721 176.830 175.900 0.350 0.000 1.311 229 Y CA -0.231 57.973 58.100 0.172 0.000 1.430 229 Y CB 0.823 39.401 38.460 0.196 0.000 1.339 229 Y HN 0.459 nan 8.280 nan 0.000 0.552 230 M N 0.934 120.869 119.600 0.558 0.000 2.531 230 M HA 0.761 5.242 4.480 0.002 0.000 0.286 230 M C -1.865 174.551 176.300 0.195 0.000 1.232 230 M CA -1.024 54.526 55.300 0.416 0.000 0.877 230 M CB 2.383 35.104 32.600 0.201 0.000 1.726 230 M HN 0.368 nan 8.290 nan 0.000 0.463 231 M N 3.110 122.731 119.600 0.034 0.000 2.322 231 M HA 0.527 5.008 4.480 0.002 0.000 0.286 231 M C -1.494 174.804 176.300 -0.004 0.000 1.111 231 M CA -0.349 54.866 55.300 -0.143 0.000 0.941 231 M CB 2.167 34.428 32.600 -0.566 0.000 1.671 231 M HN 0.949 nan 8.290 nan 0.000 0.470 232 L N 3.351 124.537 121.223 -0.060 0.000 2.466 232 L HA 0.280 4.621 4.340 0.002 0.000 0.257 232 L C -1.287 175.653 176.870 0.115 0.000 1.189 232 L CA -1.459 53.330 54.840 -0.086 0.000 0.813 232 L CB 0.016 41.917 42.059 -0.263 0.000 1.118 232 L HN 0.433 nan 8.230 nan 0.000 0.471 233 P HA -0.183 nan 4.420 nan 0.000 0.216 233 P C 1.490 178.911 177.300 0.201 0.000 1.153 233 P CA 1.731 65.005 63.100 0.289 0.000 0.858 233 P CB -0.130 31.705 31.700 0.225 0.000 0.789 234 T N -3.855 110.773 114.554 0.123 0.000 2.867 234 T HA -0.131 4.220 4.350 0.002 0.000 0.268 234 T C 1.465 176.237 174.700 0.121 0.000 1.057 234 T CA 1.275 63.457 62.100 0.137 0.000 1.136 234 T CB -0.938 68.016 68.868 0.142 0.000 0.874 234 T HN 0.037 nan 8.240 nan 0.000 0.466 235 D N 0.295 120.764 120.400 0.114 0.000 2.091 235 D HA -0.042 4.599 4.640 0.002 0.000 0.199 235 D C 1.737 178.009 176.300 -0.047 0.000 0.980 235 D CA 1.023 55.098 54.000 0.126 0.000 0.831 235 D CB -0.547 40.343 40.800 0.151 0.000 0.987 235 D HN 0.421 nan 8.370 nan 0.000 0.460 236 Y N 2.044 122.178 120.300 -0.277 0.000 2.207 236 Y HA -0.271 4.280 4.550 0.002 0.000 0.287 236 Y C 2.512 178.224 175.900 -0.313 0.000 1.156 236 Y CA 1.787 59.571 58.100 -0.526 0.000 1.182 236 Y CB -0.382 37.516 38.460 -0.937 0.000 0.979 236 Y HN -0.039 nan 8.280 nan 0.000 0.521 237 S N -0.147 115.522 115.700 -0.052 0.000 2.440 237 S HA -0.224 4.247 4.470 0.002 0.000 0.240 237 S C 1.867 176.456 174.600 -0.018 0.000 1.014 237 S CA 1.556 59.757 58.200 0.003 0.000 0.980 237 S CB -1.014 62.274 63.200 0.145 0.000 0.775 237 S HN 0.566 nan 8.310 nan 0.000 0.499 238 L N 1.112 122.285 121.223 -0.084 0.000 2.353 238 L HA 0.043 4.384 4.340 0.002 0.000 0.220 238 L C 2.310 179.133 176.870 -0.077 0.000 1.133 238 L CA 1.272 56.084 54.840 -0.046 0.000 0.798 238 L CB -0.780 41.226 42.059 -0.088 0.000 0.922 238 L HN 0.574 nan 8.230 nan 0.000 0.445 239 I N -4.666 115.730 120.570 -0.290 0.000 3.968 239 I HA 0.002 4.174 4.170 0.002 0.000 0.328 239 I C 1.835 177.791 176.117 -0.268 0.000 1.290 239 I CA 0.261 61.374 61.300 -0.313 0.000 1.163 239 I CB -0.073 37.654 38.000 -0.456 0.000 1.024 239 I HN 0.174 nan 8.210 nan 0.000 0.413 240 Q N 1.259 120.917 119.800 -0.237 0.000 2.302 240 Q HA 0.061 4.402 4.340 0.002 0.000 0.202 240 Q C 0.411 176.389 176.000 -0.038 0.000 0.936 240 Q CA 0.523 56.248 55.803 -0.131 0.000 0.886 240 Q CB 0.295 28.986 28.738 -0.078 0.000 0.986 240 Q HN 0.476 nan 8.270 nan 0.000 0.487 241 D N 0.488 120.896 120.400 0.013 0.000 2.232 241 D HA 0.073 4.714 4.640 0.002 0.000 0.242 241 D C -1.927 174.361 176.300 -0.021 0.000 1.093 241 D CA -2.267 51.731 54.000 -0.003 0.000 0.845 241 D CB 1.763 42.552 40.800 -0.019 0.000 1.124 241 D HN -0.162 nan 8.370 nan 0.000 0.467 242 P HA -0.173 nan 4.420 nan 0.000 0.216 242 P C 0.988 178.256 177.300 -0.054 0.000 1.154 242 P CA 1.502 64.572 63.100 -0.051 0.000 0.865 242 P CB 0.443 32.111 31.700 -0.053 0.000 0.789 243 K N -1.857 118.485 120.400 -0.098 0.000 2.031 243 K HA -0.119 4.202 4.320 0.002 0.000 0.205 243 K C 2.389 178.989 176.600 -0.000 0.000 1.049 243 K CA 1.175 57.405 56.287 -0.095 0.000 0.939 243 K CB -0.561 31.832 32.500 -0.179 0.000 0.717 243 K HN 0.065 nan 8.250 nan 0.000 0.438 244 Y N 1.316 121.595 120.300 -0.035 0.000 2.181 244 Y HA -0.176 4.375 4.550 0.002 0.000 0.288 244 Y C 2.124 177.985 175.900 -0.064 0.000 1.146 244 Y CA 0.456 58.535 58.100 -0.035 0.000 1.164 244 Y CB -0.684 37.769 38.460 -0.012 0.000 0.982 244 Y HN 0.048 nan 8.280 nan 0.000 0.515 245 L N -0.112 121.162 121.223 0.085 0.000 2.079 245 L HA -0.260 4.081 4.340 0.002 0.000 0.210 245 L C 2.350 179.193 176.870 -0.046 0.000 1.081 245 L CA 2.338 57.172 54.840 -0.009 0.000 0.752 245 L CB -0.580 41.455 42.059 -0.040 0.000 0.896 245 L HN 0.397 nan 8.230 nan 0.000 0.433 246 S N -0.782 114.889 115.700 -0.049 0.000 2.428 246 S HA -0.104 4.367 4.470 0.002 0.000 0.230 246 S C 1.803 176.314 174.600 -0.148 0.000 1.014 246 S CA 0.717 58.867 58.200 -0.084 0.000 0.957 246 S CB -0.515 62.641 63.200 -0.072 0.000 0.784 246 S HN 0.488 nan 8.310 nan 0.000 0.499 247 I N 1.254 121.728 120.570 -0.159 0.000 2.286 247 I HA -0.077 4.094 4.170 0.002 0.000 0.245 247 I C 2.444 178.262 176.117 -0.498 0.000 1.104 247 I CA 0.592 61.679 61.300 -0.356 0.000 1.397 247 I CB -0.503 37.331 38.000 -0.277 0.000 1.072 247 I HN 0.164 nan 8.210 nan 0.000 0.417 248 V N 1.391 121.168 119.914 -0.229 0.000 2.252 248 V HA -0.340 3.782 4.120 0.002 0.000 0.249 248 V C 2.515 178.501 176.094 -0.181 0.000 1.056 248 V CA 1.933 64.162 62.300 -0.119 0.000 1.022 248 V CB -0.712 31.127 31.823 0.026 0.000 0.641 248 V HN 0.401 nan 8.190 nan 0.000 0.445 249 K N -0.319 119.994 120.400 -0.146 0.000 2.152 249 K HA -0.262 4.060 4.320 0.002 0.000 0.206 249 K C 2.140 178.654 176.600 -0.144 0.000 1.048 249 K CA 1.790 58.007 56.287 -0.115 0.000 0.933 249 K CB -0.224 32.220 32.500 -0.094 0.000 0.721 249 K HN 0.676 nan 8.250 nan 0.000 0.447 250 E N 0.121 120.178 120.200 -0.238 0.000 2.106 250 E HA -0.176 4.175 4.350 0.002 0.000 0.192 250 E C 1.456 177.967 176.600 -0.148 0.000 0.984 250 E CA 0.943 57.208 56.400 -0.224 0.000 0.806 250 E CB 0.027 29.524 29.700 -0.338 0.000 0.750 250 E HN 0.260 nan 8.360 nan 0.000 0.458 251 Y N -0.004 120.117 120.300 -0.298 0.000 2.337 251 Y HA 0.179 4.730 4.550 0.002 0.000 0.293 251 Y C 2.269 177.985 175.900 -0.307 0.000 1.123 251 Y CA 0.509 58.346 58.100 -0.439 0.000 1.201 251 Y CB -0.810 36.959 38.460 -1.152 0.000 1.011 251 Y HN 0.165 nan 8.280 nan 0.000 0.545 252 A N -0.015 122.760 122.820 -0.076 0.000 2.019 252 A HA -0.198 4.123 4.320 0.002 0.000 0.219 252 A C 1.931 179.514 177.584 -0.002 0.000 1.164 252 A CA 1.965 54.007 52.037 0.007 0.000 0.644 252 A CB -0.655 18.352 19.000 0.011 0.000 0.805 252 A HN 0.440 nan 8.150 nan 0.000 0.449 253 N N -1.043 117.648 118.700 -0.014 0.000 2.392 253 N HA 0.053 4.794 4.740 0.002 0.000 0.177 253 N C -0.619 174.895 175.510 0.007 0.000 1.066 253 N CA 0.611 53.657 53.050 -0.008 0.000 0.895 253 N CB 0.412 38.888 38.487 -0.019 0.000 0.988 253 N HN 0.319 nan 8.380 nan 0.000 0.457 254 D N -0.412 120.009 120.400 0.035 0.000 2.330 254 D HA 0.095 4.737 4.640 0.002 0.000 0.249 254 D C 0.243 176.585 176.300 0.070 0.000 1.306 254 D CA -0.228 53.799 54.000 0.044 0.000 0.956 254 D CB 0.531 41.366 40.800 0.059 0.000 1.261 254 D HN -0.063 nan 8.370 nan 0.000 0.544 255 Q N 1.677 121.471 119.800 -0.009 0.000 2.152 255 Q HA -0.192 4.149 4.340 0.002 0.000 0.206 255 Q C 0.433 176.317 176.000 -0.193 0.000 0.985 255 Q CA 1.613 57.366 55.803 -0.084 0.000 0.863 255 Q CB 0.395 28.982 28.738 -0.251 0.000 0.904 255 Q HN 0.498 nan 8.270 nan 0.000 0.422 256 D N 0.267 120.585 120.400 -0.137 0.000 2.084 256 D HA -0.175 4.466 4.640 0.002 0.000 0.194 256 D C 1.755 178.091 176.300 0.060 0.000 0.990 256 D CA 1.180 55.136 54.000 -0.073 0.000 0.826 256 D CB -0.248 40.535 40.800 -0.028 0.000 0.971 256 D HN 0.059 nan 8.370 nan 0.000 0.453 257 K N 0.719 121.184 120.400 0.109 0.000 2.074 257 K HA -0.163 4.159 4.320 0.002 0.000 0.209 257 K C 1.944 178.662 176.600 0.196 0.000 1.048 257 K CA 0.769 57.167 56.287 0.186 0.000 0.926 257 K CB -0.927 31.720 32.500 0.245 0.000 0.713 257 K HN 0.112 nan 8.250 nan 0.000 0.444 258 F N 0.295 120.211 119.950 -0.058 0.000 2.095 258 F HA -0.145 4.383 4.527 0.002 0.000 0.298 258 F C 1.741 177.562 175.800 0.035 0.000 1.104 258 F CA 1.332 59.070 58.000 -0.436 0.000 1.232 258 F CB -0.731 38.070 39.000 -0.332 0.000 0.987 258 F HN -0.006 nan 8.300 nan 0.000 0.475 259 F N 1.279 121.006 119.950 -0.371 0.000 2.095 259 F HA -0.154 4.374 4.527 0.002 0.000 0.298 259 F C 2.434 178.126 175.800 -0.179 0.000 1.104 259 F CA 1.573 59.351 58.000 -0.371 0.000 1.232 259 F CB -1.272 37.640 39.000 -0.148 0.000 0.987 259 F HN 0.001 nan 8.300 nan 0.000 0.475 260 K N -0.101 120.370 120.400 0.118 0.000 2.032 260 K HA -0.188 4.133 4.320 0.002 0.000 0.209 260 K C 1.716 178.345 176.600 0.048 0.000 1.048 260 K CA 1.757 58.089 56.287 0.075 0.000 0.927 260 K CB -0.323 32.226 32.500 0.083 0.000 0.712 260 K HN 0.138 nan 8.250 nan 0.000 0.441 261 D N 0.224 120.659 120.400 0.059 0.000 2.144 261 D HA -0.149 4.492 4.640 0.002 0.000 0.200 261 D C 1.639 177.958 176.300 0.033 0.000 0.978 261 D CA 0.803 54.848 54.000 0.075 0.000 0.833 261 D CB -0.256 40.658 40.800 0.189 0.000 0.961 261 D HN 0.094 nan 8.370 nan 0.000 0.470 262 F N 1.294 121.128 119.950 -0.193 0.000 2.134 262 F HA -0.216 4.313 4.527 0.002 0.000 0.299 262 F C 2.510 178.250 175.800 -0.099 0.000 1.097 262 F CA 1.448 59.333 58.000 -0.192 0.000 1.264 262 F CB -0.221 38.492 39.000 -0.478 0.000 1.001 262 F HN -0.145 nan 8.300 nan 0.000 0.479 263 S N 0.169 115.853 115.700 -0.026 0.000 2.351 263 S HA -0.262 4.210 4.470 0.002 0.000 0.220 263 S C 2.119 176.675 174.600 -0.073 0.000 1.035 263 S CA 1.944 60.118 58.200 -0.043 0.000 1.031 263 S CB -0.378 62.817 63.200 -0.008 0.000 0.928 263 S HN 0.484 nan 8.310 nan 0.000 0.433 264 K N 0.813 121.181 120.400 -0.054 0.000 2.032 264 K HA -0.042 4.279 4.320 0.002 0.000 0.209 264 K C 2.418 178.975 176.600 -0.072 0.000 1.048 264 K CA 1.366 57.624 56.287 -0.047 0.000 0.927 264 K CB -0.437 32.052 32.500 -0.019 0.000 0.712 264 K HN 0.450 nan 8.250 nan 0.000 0.441 265 A N 0.665 123.423 122.820 -0.103 0.000 1.930 265 A HA -0.148 4.173 4.320 0.002 0.000 0.217 265 A C 1.989 179.501 177.584 -0.119 0.000 1.175 265 A CA 1.043 53.018 52.037 -0.104 0.000 0.627 265 A CB -0.594 18.343 19.000 -0.105 0.000 0.815 265 A HN 0.297 nan 8.150 nan 0.000 0.443 266 F N 0.756 120.423 119.950 -0.471 0.000 2.146 266 F HA -0.107 4.421 4.527 0.002 0.000 0.298 266 F C 2.224 177.925 175.800 -0.164 0.000 1.096 266 F CA 1.817 59.568 58.000 -0.416 0.000 1.275 266 F CB -0.361 38.223 39.000 -0.693 0.000 1.008 266 F HN 0.474 nan 8.300 nan 0.000 0.480 267 E N 0.377 120.520 120.200 -0.096 0.000 2.051 267 E HA -0.308 4.043 4.350 0.002 0.000 0.192 267 E C 2.372 178.882 176.600 -0.149 0.000 0.991 267 E CA 1.640 57.967 56.400 -0.122 0.000 0.799 267 E CB -0.327 29.331 29.700 -0.069 0.000 0.748 267 E HN 0.427 nan 8.360 nan 0.000 0.449 268 K N 0.393 120.724 120.400 -0.115 0.000 2.063 268 K HA -0.216 4.106 4.320 0.002 0.000 0.208 268 K C 2.325 178.854 176.600 -0.119 0.000 1.048 268 K CA 1.498 57.724 56.287 -0.101 0.000 0.928 268 K CB -0.301 32.164 32.500 -0.059 0.000 0.713 268 K HN 0.225 nan 8.250 nan 0.000 0.442 269 L N 1.423 122.582 121.223 -0.105 0.000 2.042 269 L HA -0.125 4.217 4.340 0.002 0.000 0.210 269 L C 1.910 178.701 176.870 -0.132 0.000 1.076 269 L CA 1.613 56.417 54.840 -0.061 0.000 0.749 269 L CB -0.253 41.796 42.059 -0.018 0.000 0.893 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 L N -0.947 120.140 121.223 -0.227 0.000 2.376 270 L HA -0.063 4.278 4.340 0.002 0.000 0.219 270 L C 1.827 178.618 176.870 -0.131 0.000 1.133 270 L CA 0.747 55.475 54.840 -0.187 0.000 0.816 270 L CB -0.393 41.530 42.059 -0.227 0.000 0.933 270 L HN 0.380 nan 8.230 nan 0.000 0.449 271 E N -1.066 119.046 120.200 -0.146 0.000 2.481 271 E HA 0.031 4.382 4.350 0.002 0.000 0.198 271 E C -0.273 176.189 176.600 -0.230 0.000 1.027 271 E CA -0.355 55.991 56.400 -0.089 0.000 0.900 271 E CB 0.421 30.122 29.700 0.002 0.000 0.993 271 E HN 0.302 nan 8.360 nan 0.000 0.482 272 D N 0.832 120.984 120.400 -0.412 0.000 2.488 272 D HA 0.028 4.669 4.640 0.002 0.000 0.238 272 D C 1.261 176.897 176.300 -1.107 0.000 1.138 272 D CA 1.300 54.760 54.000 -0.900 0.000 0.873 272 D CB 1.085 41.077 40.800 -1.348 0.000 1.183 272 D HN 0.332 nan 8.370 nan 0.000 0.458 273 G N 1.918 110.094 108.800 -1.039 0.000 2.179 273 G HA2 -0.280 3.681 3.960 0.002 0.000 0.260 273 G HA3 -0.280 3.681 3.960 0.002 0.000 0.260 273 G C 0.438 175.219 174.900 -0.199 0.000 0.977 273 G CA 0.008 44.862 45.100 -0.411 0.000 0.641 273 G HN 0.521 nan 8.290 nan 0.000 0.533 274 I N 1.300 121.692 120.570 -0.297 0.000 2.437 274 I HA 0.473 4.645 4.170 0.002 0.000 0.298 274 I C 0.200 176.035 176.117 -0.470 0.000 0.984 274 I CA -0.600 60.466 61.300 -0.391 0.000 1.214 274 I CB 1.934 39.643 38.000 -0.485 0.000 1.365 274 I HN -0.021 nan 8.210 nan 0.000 0.469 275 T N 5.671 119.923 114.554 -0.502 0.000 2.758 275 T HA 0.481 4.833 4.350 0.002 0.000 0.285 275 T C -0.620 173.785 174.700 -0.492 0.000 0.981 275 T CA -0.262 61.621 62.100 -0.361 0.000 0.965 275 T CB 0.302 69.048 68.868 -0.203 0.000 0.927 275 T HN 0.101 nan 8.240 nan 0.000 0.448 276 F N 4.589 124.502 119.950 -0.062 0.000 2.361 276 F HA 0.393 4.921 4.527 0.002 0.000 0.364 276 F C -1.693 174.074 175.800 -0.056 0.000 1.117 276 F CA -2.503 55.456 58.000 -0.069 0.000 1.071 276 F CB 0.576 39.509 39.000 -0.111 0.000 1.188 276 F HN 0.337 nan 8.300 nan 0.000 0.464 277 P HA 0.002 nan 4.420 nan 0.000 0.269 277 P C 1.005 178.341 177.300 0.060 0.000 1.217 277 P CA -0.364 62.771 63.100 0.060 0.000 0.783 277 P CB 0.924 32.652 31.700 0.047 0.000 0.898 278 K N 1.857 122.276 120.400 0.030 0.000 2.074 278 K HA -0.204 4.117 4.320 0.002 0.000 0.209 278 K C 0.936 177.539 176.600 0.005 0.000 1.048 278 K CA 2.089 58.383 56.287 0.012 0.000 0.926 278 K CB -0.352 32.152 32.500 0.006 0.000 0.713 278 K HN 0.561 nan 8.250 nan 0.000 0.444 279 D N 0.205 120.613 120.400 0.014 0.000 2.363 279 D HA -0.001 4.641 4.640 0.002 0.000 0.226 279 D C 0.309 176.616 176.300 0.012 0.000 1.020 279 D CA 0.074 54.081 54.000 0.011 0.000 0.892 279 D CB -0.265 40.546 40.800 0.019 0.000 0.900 279 D HN 0.211 nan 8.370 nan 0.000 0.531 280 A N 1.640 124.469 122.820 0.016 0.000 2.466 280 A HA 0.405 4.726 4.320 0.002 0.000 0.238 280 A C -1.968 175.576 177.584 -0.066 0.000 1.074 280 A CA -0.866 51.173 52.037 0.004 0.000 0.774 280 A CB -0.249 18.787 19.000 0.060 0.000 1.015 280 A HN 0.122 nan 8.150 nan 0.000 0.498 281 P HA 0.263 nan 4.420 nan 0.000 0.274 281 P C -0.130 176.990 177.300 -0.299 0.000 1.237 281 P CA -0.347 62.674 63.100 -0.132 0.000 0.793 281 P CB 0.567 32.226 31.700 -0.068 0.000 0.977 282 S N 1.842 117.380 115.700 -0.271 0.000 2.606 282 S HA 0.261 4.732 4.470 0.002 0.000 0.257 282 S C -2.100 172.146 174.600 -0.592 0.000 1.327 282 S CA -0.697 57.293 58.200 -0.350 0.000 0.984 282 S CB -1.135 61.923 63.200 -0.236 0.000 0.941 282 S HN 0.442 nan 8.310 nan 0.000 0.576 283 P HA 0.296 nan 4.420 nan 0.000 0.271 283 P C -0.902 176.119 177.300 -0.465 0.000 1.218 283 P CA -0.133 62.602 63.100 -0.608 0.000 0.780 283 P CB 0.184 31.646 31.700 -0.396 0.000 0.901 284 F N 1.446 121.262 119.950 -0.224 0.000 2.399 284 F HA 0.450 4.978 4.527 0.002 0.000 0.328 284 F C 0.758 176.296 175.800 -0.437 0.000 1.084 284 F CA -0.755 57.038 58.000 -0.345 0.000 1.053 284 F CB 0.428 39.178 39.000 -0.417 0.000 1.209 284 F HN 0.077 nan 8.300 nan 0.000 0.502 285 I N 3.291 123.740 120.570 -0.203 0.000 2.382 285 I HA 0.261 4.432 4.170 0.002 0.000 0.285 285 I C -0.829 175.172 176.117 -0.193 0.000 1.007 285 I CA -0.292 60.901 61.300 -0.177 0.000 1.142 285 I CB 0.455 38.400 38.000 -0.093 0.000 1.289 285 I HN 0.247 nan 8.210 nan 0.000 0.453 286 F N 5.688 125.694 119.950 0.093 0.000 2.410 286 F HA 0.340 4.869 4.527 0.002 0.000 0.334 286 F C 0.942 176.581 175.800 -0.269 0.000 1.134 286 F CA -0.427 57.480 58.000 -0.155 0.000 1.227 286 F CB 0.450 39.092 39.000 -0.596 0.000 1.194 286 F HN 0.220 nan 8.300 nan 0.000 0.571 287 K N 1.218 121.573 120.400 -0.075 0.000 2.144 287 K HA 0.279 4.600 4.320 0.002 0.000 0.270 287 K C 0.222 176.710 176.600 -0.187 0.000 1.005 287 K CA -0.338 55.901 56.287 -0.080 0.000 0.932 287 K CB 1.185 33.672 32.500 -0.021 0.000 1.021 287 K HN 0.790 nan 8.250 nan 0.000 0.462 288 T N -1.225 113.320 114.554 -0.015 0.000 2.788 288 T HA 0.218 4.569 4.350 0.002 0.000 0.280 288 T C 1.876 176.644 174.700 0.114 0.000 0.984 288 T CA -0.737 61.437 62.100 0.123 0.000 0.972 288 T CB 0.472 69.424 68.868 0.139 0.000 1.039 288 T HN 0.420 nan 8.240 nan 0.000 0.530 289 L N 0.097 121.421 121.223 0.170 0.000 1.989 289 L HA -0.116 4.226 4.340 0.002 0.000 0.211 289 L C 3.079 179.992 176.870 0.073 0.000 1.071 289 L CA 2.250 57.156 54.840 0.111 0.000 0.749 289 L CB -0.752 41.367 42.059 0.100 0.000 0.890 289 L HN 0.940 nan 8.230 nan 0.000 0.431 290 E N 0.632 120.876 120.200 0.073 0.000 2.097 290 E HA -0.288 4.063 4.350 0.002 0.000 0.196 290 E C 1.889 178.517 176.600 0.047 0.000 1.000 290 E CA 1.739 58.173 56.400 0.057 0.000 0.804 290 E CB -0.006 29.728 29.700 0.057 0.000 0.740 290 E HN 0.501 nan 8.360 nan 0.000 0.454 291 E N -0.316 119.913 120.200 0.048 0.000 2.274 291 E HA -0.145 4.206 4.350 0.002 0.000 0.194 291 E C 1.695 178.314 176.600 0.032 0.000 0.996 291 E CA 0.818 57.240 56.400 0.037 0.000 0.840 291 E CB 0.141 29.861 29.700 0.032 0.000 0.772 291 E HN 0.397 nan 8.360 nan 0.000 0.491 292 Q N -0.864 118.956 119.800 0.033 0.000 2.319 292 Q HA 0.142 4.483 4.340 0.002 0.000 0.202 292 Q C 0.656 176.673 176.000 0.029 0.000 0.896 292 Q CA 0.296 56.116 55.803 0.028 0.000 0.942 292 Q CB 1.183 29.936 28.738 0.025 0.000 1.083 292 Q HN 0.296 nan 8.270 nan 0.000 0.510 293 G N 1.262 110.081 108.800 0.032 0.000 2.221 293 G HA2 -0.269 3.692 3.960 0.002 0.000 0.265 293 G HA3 -0.269 3.692 3.960 0.002 0.000 0.265 293 G C -0.124 174.794 174.900 0.030 0.000 1.041 293 G CA 0.237 45.354 45.100 0.029 0.000 0.807 293 G HN 0.235 nan 8.290 nan 0.000 0.502 294 L N 0.000 121.244 121.223 0.035 0.000 2.949 294 L HA 0.000 4.341 4.340 0.002 0.000 0.249 294 L CA 0.000 54.861 54.840 0.035 0.000 0.813 294 L CB 0.000 42.083 42.059 0.039 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502