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 1ktw_1_B DATA FIRST_RESID 28 DATA SEQUENCE VSPKTYKDAD FYVAPTQQDV NYDLVDDFGA NGNDTSDDSN ALQRAINAIS DATA SEQUENCE RKPNGGTLLI PNGTYHFLGI QMKSNVHIRV ESDVIIKPTW NGDGKNHRLF DATA SEQUENCE EVGVNNIVRN FSFQGLGNGF LVDFKDSRDK NLAVFKLGDV RNYKISNFTI DATA SEQUENCE DDNKTIFASI LVDVTERNGR LHWSRNGIIE RIKQNNALFG YGLIQTYGAD DATA SEQUENCE NILFRNLHSE GGIALRMETD NLLMKNYKQG GIRNIFADNI RcSKGLAAVM DATA SEQUENCE FGPHFMKNGD VQVTNVSSVS cGSAVRSDSG FVELFSPTDE VHTRQSWKQA DATA SEQUENCE VESKLGRGcA QTPYAXXXXX XXWAARVTQK DAcLDKAKLE YGIEPGSFGT DATA SEQUENCE VKVFDVTARF GYNADLKQDQ LDYFSTSNPM cKRVcLPTKE QWSKQGQIYI DATA SEQUENCE GPSLAAVIDT TPETSKYDYD VKTFNVKRIN FPVNSHKTID TNTESSRVcN DATA SEQUENCE YYGMSEcSSS RWER 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 28 V HA 0.000 nan 4.120 nan 0.000 0.244 28 V C 0.000 176.035 176.094 -0.098 0.000 1.182 28 V CA 0.000 62.268 62.300 -0.054 0.000 1.235 28 V CB 0.000 31.756 31.823 -0.112 0.000 1.184 29 S N 1.851 117.457 115.700 -0.157 0.000 2.548 29 S HA 0.870 5.340 4.470 -0.001 0.000 0.286 29 S C -2.928 171.349 174.600 -0.539 0.000 1.098 29 S CA -1.398 56.568 58.200 -0.391 0.000 0.930 29 S CB 2.393 65.452 63.200 -0.234 0.000 1.070 29 S HN 0.708 nan 8.310 nan 0.000 0.480 30 P HA 0.228 nan 4.420 nan 0.000 0.270 30 P C -0.913 176.277 177.300 -0.183 0.000 1.223 30 P CA -0.400 62.321 63.100 -0.630 0.000 0.785 30 P CB 0.461 31.719 31.700 -0.737 0.000 0.923 31 K N 0.527 120.956 120.400 0.048 0.000 2.185 31 K HA 0.318 4.638 4.320 -0.001 0.000 0.271 31 K C 0.852 177.507 176.600 0.091 0.000 1.013 31 K CA -0.370 55.989 56.287 0.120 0.000 0.943 31 K CB 0.390 33.063 32.500 0.288 0.000 0.998 31 K HN 0.523 nan 8.250 nan 0.000 0.468 32 T N -0.839 113.708 114.554 -0.013 0.000 2.912 32 T HA 0.533 4.883 4.350 -0.001 0.000 0.280 32 T C -0.541 174.091 174.700 -0.114 0.000 0.989 32 T CA -0.638 61.362 62.100 -0.166 0.000 0.995 32 T CB 0.466 69.230 68.868 -0.173 0.000 1.077 32 T HN 0.622 nan 8.240 nan 0.000 0.531 33 Y N -2.054 118.195 120.300 -0.085 0.000 2.725 33 Y HA 0.734 5.283 4.550 -0.001 0.000 0.333 33 Y C -1.265 174.606 175.900 -0.049 0.000 1.242 33 Y CA -1.721 56.303 58.100 -0.127 0.000 1.059 33 Y CB 1.014 39.339 38.460 -0.225 0.000 1.306 33 Y HN 0.998 nan 8.280 nan 0.000 0.454 34 K N -0.685 119.863 120.400 0.248 0.000 2.443 34 K HA 0.527 4.846 4.320 -0.001 0.000 0.251 34 K C -1.084 175.683 176.600 0.278 0.000 0.972 34 K CA -0.725 55.675 56.287 0.188 0.000 0.833 34 K CB 2.546 35.075 32.500 0.049 0.000 1.317 34 K HN 0.439 nan 8.250 nan 0.000 0.441 35 D N 1.206 121.748 120.400 0.236 0.000 2.123 35 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 35 D C 1.733 178.160 176.300 0.211 0.000 0.992 35 D CA 2.189 56.343 54.000 0.257 0.000 0.833 35 D CB -0.398 40.501 40.800 0.164 0.000 0.954 35 D HN 0.694 nan 8.370 nan 0.000 0.455 36 A N 0.638 123.511 122.820 0.088 0.000 2.178 36 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 36 A C 1.448 178.991 177.584 -0.069 0.000 1.157 36 A CA 1.241 53.282 52.037 0.006 0.000 0.689 36 A CB -0.257 18.726 19.000 -0.028 0.000 0.787 36 A HN 0.040 nan 8.150 nan 0.000 0.465 37 D N -1.420 118.889 120.400 -0.152 0.000 2.312 37 D HA -0.008 4.632 4.640 -0.001 0.000 0.211 37 D C 0.971 176.896 176.300 -0.624 0.000 0.964 37 D CA 0.996 54.731 54.000 -0.442 0.000 0.877 37 D CB -0.079 40.294 40.800 -0.711 0.000 0.924 37 D HN 0.584 nan 8.370 nan 0.000 0.515 38 F N -1.611 118.302 119.950 -0.062 0.000 2.537 38 F HA 0.169 4.695 4.527 -0.001 0.000 0.277 38 F C 0.459 176.265 175.800 0.011 0.000 1.013 38 F CA -0.377 57.586 58.000 -0.061 0.000 1.332 38 F CB 0.270 39.193 39.000 -0.128 0.000 1.108 38 F HN -0.242 nan 8.300 nan 0.000 0.679 39 Y N 0.373 120.723 120.300 0.084 0.000 2.442 39 Y HA 0.684 5.233 4.550 -0.001 0.000 0.344 39 Y C -1.473 174.436 175.900 0.015 0.000 0.976 39 Y CA -2.002 56.111 58.100 0.022 0.000 1.040 39 Y CB 1.737 40.190 38.460 -0.013 0.000 1.228 39 Y HN -0.276 nan 8.280 nan 0.000 0.451 40 V N 6.003 125.497 119.914 -0.699 0.000 2.443 40 V HA 0.727 4.847 4.120 -0.001 0.000 0.293 40 V C 0.038 175.640 176.094 -0.820 0.000 1.021 40 V CA -0.712 61.254 62.300 -0.555 0.000 0.848 40 V CB 0.963 32.623 31.823 -0.271 0.000 0.998 40 V HN 1.015 nan 8.190 nan 0.000 0.424 41 A N 7.546 129.985 122.820 -0.635 0.000 2.386 41 A HA 0.703 5.022 4.320 -0.001 0.000 0.248 41 A C -1.829 175.600 177.584 -0.258 0.000 1.082 41 A CA -0.970 50.823 52.037 -0.406 0.000 0.789 41 A CB -0.124 18.790 19.000 -0.144 0.000 1.025 41 A HN 0.691 nan 8.150 nan 0.000 0.490 42 P HA 0.121 nan 4.420 nan 0.000 0.271 42 P C 0.436 177.651 177.300 -0.143 0.000 1.216 42 P CA 0.219 63.215 63.100 -0.172 0.000 0.776 42 P CB 0.782 32.356 31.700 -0.210 0.000 0.881 43 T N -1.602 112.892 114.554 -0.101 0.000 3.086 43 T HA 0.112 4.461 4.350 -0.001 0.000 0.250 43 T C 0.567 175.226 174.700 -0.068 0.000 1.074 43 T CA -0.066 61.986 62.100 -0.080 0.000 0.988 43 T CB -0.148 68.680 68.868 -0.065 0.000 0.988 43 T HN 0.689 nan 8.240 nan 0.000 0.530 44 Q N -0.288 119.470 119.800 -0.069 0.000 2.479 44 Q HA 0.550 4.890 4.340 -0.001 0.000 0.276 44 Q C -2.066 173.901 176.000 -0.055 0.000 0.989 44 Q CA -1.098 54.672 55.803 -0.055 0.000 0.864 44 Q CB 1.483 30.197 28.738 -0.040 0.000 1.444 44 Q HN 0.256 nan 8.270 nan 0.000 0.388 45 Q N 0.773 120.542 119.800 -0.053 0.000 2.456 45 Q HA 0.293 4.633 4.340 -0.001 0.000 0.284 45 Q C -0.790 175.181 176.000 -0.049 0.000 1.061 45 Q CA -0.793 54.981 55.803 -0.048 0.000 0.799 45 Q CB 2.132 30.832 28.738 -0.063 0.000 1.445 45 Q HN 0.687 nan 8.270 nan 0.000 0.411 46 D N -0.125 120.244 120.400 -0.052 0.000 2.216 46 D HA 0.045 4.685 4.640 -0.001 0.000 0.208 46 D C 0.616 176.857 176.300 -0.098 0.000 0.960 46 D CA 1.058 55.024 54.000 -0.057 0.000 0.861 46 D CB 0.775 41.552 40.800 -0.038 0.000 0.985 46 D HN 0.345 nan 8.370 nan 0.000 0.493 47 V N -2.542 117.269 119.914 -0.171 0.000 3.159 47 V HA 0.571 4.690 4.120 -0.001 0.000 0.308 47 V C -1.244 174.653 176.094 -0.329 0.000 1.190 47 V CA -1.020 61.098 62.300 -0.303 0.000 1.037 47 V CB 2.609 34.069 31.823 -0.606 0.000 1.060 47 V HN -0.123 nan 8.190 nan 0.000 0.437 48 N N 1.205 119.718 118.700 -0.311 0.000 2.519 48 N HA 0.579 5.319 4.740 -0.001 0.000 0.286 48 N C -2.094 173.398 175.510 -0.031 0.000 1.079 48 N CA -0.327 52.626 53.050 -0.162 0.000 0.878 48 N CB 1.760 40.213 38.487 -0.058 0.000 1.375 48 N HN 0.705 nan 8.380 nan 0.000 0.514 49 Y N 0.199 120.538 120.300 0.065 0.000 2.587 49 Y HA 0.377 4.927 4.550 -0.001 0.000 0.337 49 Y C 0.191 176.143 175.900 0.087 0.000 1.065 49 Y CA -1.203 56.965 58.100 0.112 0.000 1.126 49 Y CB 1.108 39.736 38.460 0.280 0.000 1.279 49 Y HN 0.342 nan 8.280 nan 0.000 0.489 50 D N 1.388 121.952 120.400 0.273 0.000 2.391 50 D HA 0.120 4.760 4.640 -0.001 0.000 0.245 50 D C 0.557 176.973 176.300 0.193 0.000 1.069 50 D CA -0.378 53.716 54.000 0.156 0.000 0.831 50 D CB 2.144 43.003 40.800 0.099 0.000 1.204 50 D HN 0.541 nan 8.370 nan 0.000 0.503 51 L N 4.520 125.818 121.223 0.125 0.000 2.079 51 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 51 L C 1.699 178.667 176.870 0.163 0.000 1.081 51 L CA 1.750 56.666 54.840 0.128 0.000 0.752 51 L CB -0.141 41.892 42.059 -0.045 0.000 0.896 51 L HN 0.431 nan 8.230 nan 0.000 0.433 52 V N -0.870 119.122 119.914 0.130 0.000 2.374 52 V HA -0.132 3.988 4.120 -0.001 0.000 0.241 52 V C 2.119 178.265 176.094 0.086 0.000 1.034 52 V CA 1.540 63.922 62.300 0.137 0.000 1.037 52 V CB -0.624 31.291 31.823 0.154 0.000 0.682 52 V HN 0.362 nan 8.190 nan 0.000 0.463 53 D N 0.385 120.822 120.400 0.062 0.000 2.144 53 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 53 D C 1.647 177.914 176.300 -0.056 0.000 0.978 53 D CA 1.441 55.450 54.000 0.014 0.000 0.833 53 D CB -0.160 40.652 40.800 0.019 0.000 0.961 53 D HN 0.439 nan 8.370 nan 0.000 0.470 54 D N -1.042 119.304 120.400 -0.089 0.000 2.338 54 D HA 0.035 4.675 4.640 -0.001 0.000 0.208 54 D C 1.077 176.977 176.300 -0.667 0.000 0.997 54 D CA 0.272 54.041 54.000 -0.385 0.000 0.880 54 D CB 0.133 40.616 40.800 -0.529 0.000 0.980 54 D HN 0.227 nan 8.370 nan 0.000 0.509 55 F N -0.221 119.684 119.950 -0.074 0.000 2.706 55 F HA 0.298 4.825 4.527 -0.001 0.000 0.313 55 F C 1.555 177.350 175.800 -0.008 0.000 1.096 55 F CA -0.104 57.862 58.000 -0.056 0.000 1.219 55 F CB 0.950 39.916 39.000 -0.056 0.000 1.051 55 F HN -0.064 nan 8.300 nan 0.000 0.568 56 G N 1.214 110.077 108.800 0.107 0.000 2.160 56 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.251 56 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.251 56 G C 0.500 175.479 174.900 0.133 0.000 1.008 56 G CA 0.016 45.172 45.100 0.094 0.000 0.724 56 G HN 0.650 nan 8.290 nan 0.000 0.514 57 A N -0.441 122.487 122.820 0.181 0.000 2.429 57 A HA 0.555 4.875 4.320 -0.001 0.000 0.242 57 A C 0.615 178.331 177.584 0.220 0.000 1.088 57 A CA 0.433 52.604 52.037 0.224 0.000 0.784 57 A CB 0.379 19.547 19.000 0.281 0.000 1.038 57 A HN 0.702 nan 8.150 nan 0.000 0.501 58 N N 0.465 119.291 118.700 0.210 0.000 2.491 58 N HA 0.322 5.061 4.740 -0.001 0.000 0.274 58 N C 0.217 175.748 175.510 0.034 0.000 1.023 58 N CA 0.262 53.383 53.050 0.119 0.000 0.902 58 N CB 1.598 40.123 38.487 0.063 0.000 1.267 58 N HN 0.662 nan 8.380 nan 0.000 0.503 59 G N 2.262 111.016 108.800 -0.077 0.000 3.371 59 G HA2 0.049 4.009 3.960 -0.001 0.000 0.248 59 G HA3 0.049 4.009 3.960 -0.001 0.000 0.248 59 G C 0.473 175.210 174.900 -0.271 0.000 1.161 59 G CA -0.236 44.569 45.100 -0.492 0.000 0.796 59 G HN 0.661 nan 8.290 nan 0.000 0.539 60 N N -0.008 118.619 118.700 -0.121 0.000 2.177 60 N HA 0.153 4.893 4.740 -0.001 0.000 0.218 60 N C -0.421 175.060 175.510 -0.049 0.000 1.182 60 N CA -0.189 52.817 53.050 -0.074 0.000 0.882 60 N CB 0.823 39.287 38.487 -0.039 0.000 1.052 60 N HN 0.445 nan 8.380 nan 0.000 0.519 61 D N -1.277 119.095 120.400 -0.046 0.000 2.758 61 D HA 0.184 4.823 4.640 -0.001 0.000 0.262 61 D C 0.472 176.754 176.300 -0.030 0.000 1.113 61 D CA -0.516 53.464 54.000 -0.033 0.000 1.114 61 D CB 0.161 40.943 40.800 -0.030 0.000 1.363 61 D HN -0.073 nan 8.370 nan 0.000 0.617 62 T N -3.120 111.385 114.554 -0.082 0.000 3.228 62 T HA 0.375 4.725 4.350 -0.001 0.000 0.278 62 T C 0.015 174.477 174.700 -0.395 0.000 1.014 62 T CA -0.501 61.467 62.100 -0.220 0.000 0.904 62 T CB -0.583 68.185 68.868 -0.167 0.000 1.110 62 T HN 0.211 nan 8.240 nan 0.000 0.541 63 S N 2.132 117.711 115.700 -0.202 0.000 2.616 63 S HA 0.424 4.894 4.470 -0.001 0.000 0.277 63 S C -0.152 174.392 174.600 -0.093 0.000 1.234 63 S CA -0.640 57.472 58.200 -0.147 0.000 1.028 63 S CB 1.047 64.216 63.200 -0.052 0.000 0.988 63 S HN 0.578 nan 8.310 nan 0.000 0.522 64 D N 0.562 120.935 120.400 -0.046 0.000 2.488 64 D HA 0.012 4.652 4.640 -0.001 0.000 0.238 64 D C -0.114 176.248 176.300 0.102 0.000 1.138 64 D CA 0.495 54.522 54.000 0.044 0.000 0.873 64 D CB 0.445 41.269 40.800 0.040 0.000 1.183 64 D HN 0.389 nan 8.370 nan 0.000 0.458 65 D N 1.993 122.492 120.400 0.165 0.000 2.513 65 D HA 0.041 4.681 4.640 -0.001 0.000 0.222 65 D C 1.155 177.698 176.300 0.405 0.000 1.210 65 D CA 0.006 54.166 54.000 0.266 0.000 0.825 65 D CB 0.523 41.497 40.800 0.291 0.000 1.037 65 D HN 0.243 nan 8.370 nan 0.000 0.506 66 S N 1.144 117.047 115.700 0.338 0.000 2.359 66 S HA -0.146 4.323 4.470 -0.001 0.000 0.224 66 S C 1.824 176.498 174.600 0.124 0.000 1.035 66 S CA 0.856 59.213 58.200 0.261 0.000 1.018 66 S CB -0.002 63.292 63.200 0.158 0.000 0.876 66 S HN 0.280 nan 8.310 nan 0.000 0.448 67 N N 1.739 120.498 118.700 0.098 0.000 2.104 67 N HA -0.046 4.694 4.740 -0.001 0.000 0.190 67 N C 1.849 177.390 175.510 0.053 0.000 1.024 67 N CA 1.414 54.499 53.050 0.058 0.000 0.853 67 N CB -0.650 37.871 38.487 0.057 0.000 1.008 67 N HN 0.422 nan 8.380 nan 0.000 0.424 68 A N 0.839 123.716 122.820 0.096 0.000 1.877 68 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 68 A C 2.235 179.794 177.584 -0.042 0.000 1.186 68 A CA 1.096 53.188 52.037 0.092 0.000 0.620 68 A CB -0.762 18.338 19.000 0.165 0.000 0.822 68 A HN 0.276 nan 8.150 nan 0.000 0.443 69 L N -0.634 120.573 121.223 -0.026 0.000 2.056 69 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 69 L C 2.413 179.155 176.870 -0.213 0.000 1.078 69 L CA 2.655 57.383 54.840 -0.186 0.000 0.749 69 L CB -0.763 41.091 42.059 -0.342 0.000 0.901 69 L HN 0.458 nan 8.230 nan 0.000 0.433 70 Q N -0.293 119.430 119.800 -0.129 0.000 2.119 70 Q HA -0.163 4.177 4.340 -0.001 0.000 0.201 70 Q C 2.380 178.293 176.000 -0.145 0.000 0.972 70 Q CA 1.683 57.418 55.803 -0.113 0.000 0.847 70 Q CB -0.118 28.587 28.738 -0.056 0.000 0.903 70 Q HN 0.442 nan 8.270 nan 0.000 0.433 71 R N -0.665 119.741 120.500 -0.155 0.000 2.096 71 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 71 R C 2.195 178.223 176.300 -0.452 0.000 1.127 71 R CA 1.064 57.067 56.100 -0.163 0.000 0.968 71 R CB -0.432 29.864 30.300 -0.007 0.000 0.861 71 R HN 0.328 nan 8.270 nan 0.000 0.440 72 A N 1.370 123.655 122.820 -0.892 0.000 1.877 72 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 72 A C 2.150 179.474 177.584 -0.433 0.000 1.186 72 A CA 1.262 52.536 52.037 -1.272 0.000 0.620 72 A CB -0.520 17.845 19.000 -1.059 0.000 0.822 72 A HN 0.173 nan 8.150 nan 0.000 0.443 73 I N 0.171 120.572 120.570 -0.281 0.000 2.163 73 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 73 I C 2.173 178.247 176.117 -0.072 0.000 1.085 73 I CA 1.452 62.675 61.300 -0.129 0.000 1.347 73 I CB -0.505 37.432 38.000 -0.105 0.000 1.044 73 I HN 0.307 nan 8.210 nan 0.000 0.408 74 N N 1.071 119.723 118.700 -0.080 0.000 2.120 74 N HA -0.134 4.606 4.740 -0.001 0.000 0.188 74 N C 1.884 177.407 175.510 0.021 0.000 1.024 74 N CA 1.676 54.710 53.050 -0.027 0.000 0.852 74 N CB -0.495 37.977 38.487 -0.025 0.000 1.003 74 N HN 0.375 nan 8.380 nan 0.000 0.424 75 A N 0.914 123.763 122.820 0.048 0.000 1.902 75 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 75 A C 2.326 180.031 177.584 0.201 0.000 1.181 75 A CA 0.878 53.016 52.037 0.169 0.000 0.623 75 A CB -0.615 18.575 19.000 0.317 0.000 0.818 75 A HN 0.214 nan 8.150 nan 0.000 0.443 76 I N -1.003 119.669 120.570 0.169 0.000 2.202 76 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 76 I C 2.698 178.845 176.117 0.050 0.000 1.091 76 I CA 1.498 62.858 61.300 0.099 0.000 1.368 76 I CB -0.216 37.809 38.000 0.041 0.000 1.058 76 I HN 0.343 nan 8.210 nan 0.000 0.410 77 S N 0.421 116.142 115.700 0.035 0.000 2.474 77 S HA -0.078 4.391 4.470 -0.001 0.000 0.235 77 S C 2.002 176.619 174.600 0.028 0.000 0.997 77 S CA 1.000 59.215 58.200 0.025 0.000 0.949 77 S CB -0.248 62.958 63.200 0.010 0.000 0.766 77 S HN 0.305 nan 8.310 nan 0.000 0.517 78 R N 0.389 120.914 120.500 0.041 0.000 2.276 78 R HA 0.115 4.455 4.340 -0.001 0.000 0.203 78 R C 0.043 176.367 176.300 0.040 0.000 1.017 78 R CA 0.492 56.616 56.100 0.040 0.000 1.010 78 R CB 0.136 30.467 30.300 0.051 0.000 0.900 78 R HN 0.169 nan 8.270 nan 0.000 0.469 79 K N 0.786 121.212 120.400 0.042 0.000 2.249 79 K HA 0.118 4.438 4.320 -0.001 0.000 0.280 79 K C -1.856 174.756 176.600 0.021 0.000 1.033 79 K CA -2.065 54.240 56.287 0.031 0.000 0.946 79 K CB 0.824 33.336 32.500 0.020 0.000 1.005 79 K HN -0.203 nan 8.250 nan 0.000 0.469 80 P HA -0.147 nan 4.420 nan 0.000 0.217 80 P C 0.241 177.549 177.300 0.013 0.000 1.151 80 P CA 1.387 64.494 63.100 0.012 0.000 0.849 80 P CB 0.323 32.028 31.700 0.008 0.000 0.787 81 N N -1.431 117.274 118.700 0.009 0.000 2.238 81 N HA 0.154 4.894 4.740 -0.001 0.000 0.222 81 N C 1.108 176.630 175.510 0.020 0.000 1.133 81 N CA 0.783 53.839 53.050 0.010 0.000 0.854 81 N CB 0.548 39.032 38.487 -0.004 0.000 1.041 81 N HN 0.094 nan 8.380 nan 0.000 0.510 82 G N 0.571 109.384 108.800 0.022 0.000 2.574 82 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.282 82 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.282 82 G C 0.130 175.029 174.900 -0.002 0.000 1.257 82 G CA -0.062 45.055 45.100 0.029 0.000 0.956 82 G HN 0.699 nan 8.290 nan 0.000 0.560 83 G N -3.761 105.059 108.800 0.034 0.000 2.325 83 G HA2 0.653 4.613 3.960 -0.001 0.000 0.295 83 G HA3 0.653 4.613 3.960 -0.001 0.000 0.295 83 G C -0.905 174.008 174.900 0.022 0.000 1.274 83 G CA 0.696 45.781 45.100 -0.025 0.000 0.857 83 G HN 1.460 nan 8.290 nan 0.000 0.499 84 T N 0.292 114.816 114.554 -0.049 0.000 2.855 84 T HA 0.616 4.966 4.350 -0.001 0.000 0.281 84 T C -1.002 173.668 174.700 -0.051 0.000 1.007 84 T CA -0.237 61.844 62.100 -0.031 0.000 1.009 84 T CB 1.595 70.439 68.868 -0.041 0.000 0.983 84 T HN 0.732 nan 8.240 nan 0.000 0.455 85 L N 4.073 125.258 121.223 -0.063 0.000 2.356 85 L HA 0.733 5.073 4.340 -0.001 0.000 0.277 85 L C -1.355 175.452 176.870 -0.105 0.000 0.996 85 L CA -0.890 53.921 54.840 -0.048 0.000 0.822 85 L CB 1.366 43.370 42.059 -0.092 0.000 1.256 85 L HN 0.551 nan 8.230 nan 0.000 0.413 86 L N 6.167 127.357 121.223 -0.055 0.000 2.295 86 L HA 0.592 4.932 4.340 -0.001 0.000 0.285 86 L C -0.876 175.927 176.870 -0.111 0.000 1.035 86 L CA 0.049 54.837 54.840 -0.088 0.000 0.806 86 L CB 1.132 43.172 42.059 -0.032 0.000 1.214 86 L HN 0.575 nan 8.230 nan 0.000 0.426 87 I N 8.077 128.537 120.570 -0.184 0.000 2.337 87 I HA 0.344 4.514 4.170 -0.001 0.000 0.285 87 I C -2.042 174.016 176.117 -0.098 0.000 1.041 87 I CA -1.771 59.393 61.300 -0.226 0.000 1.199 87 I CB 1.204 38.992 38.000 -0.353 0.000 1.370 87 I HN 0.523 nan 8.210 nan 0.000 0.470 88 P HA 0.073 nan 4.420 nan 0.000 0.274 88 P C -0.723 176.693 177.300 0.193 0.000 1.246 88 P CA -0.542 62.613 63.100 0.092 0.000 0.795 88 P CB 0.597 32.358 31.700 0.101 0.000 1.006 89 N N -0.001 118.780 118.700 0.135 0.000 2.292 89 N HA 0.251 4.990 4.740 -0.001 0.000 0.258 89 N C 0.902 176.482 175.510 0.116 0.000 1.261 89 N CA 1.371 54.497 53.050 0.127 0.000 0.845 89 N CB -0.225 38.310 38.487 0.079 0.000 1.064 89 N HN 0.768 nan 8.380 nan 0.000 0.471 90 G N 0.353 109.185 108.800 0.054 0.000 2.343 90 G HA2 0.161 4.120 3.960 -0.001 0.000 0.289 90 G HA3 0.161 4.120 3.960 -0.001 0.000 0.289 90 G C -1.575 173.119 174.900 -0.343 0.000 1.295 90 G CA -0.729 44.263 45.100 -0.180 0.000 0.869 90 G HN 0.373 nan 8.290 nan 0.000 0.522 91 T N 0.940 115.153 114.554 -0.568 0.000 2.786 91 T HA 0.679 5.029 4.350 -0.001 0.000 0.283 91 T C -1.288 172.969 174.700 -0.737 0.000 0.992 91 T CA -0.021 61.805 62.100 -0.458 0.000 0.954 91 T CB 0.769 69.503 68.868 -0.223 0.000 0.934 91 T HN 0.405 nan 8.240 nan 0.000 0.440 92 Y N 1.014 121.154 120.300 -0.266 0.000 2.562 92 Y HA 0.574 5.124 4.550 -0.001 0.000 0.343 92 Y C 0.177 175.620 175.900 -0.761 0.000 1.025 92 Y CA -1.184 56.636 58.100 -0.465 0.000 1.082 92 Y CB 1.394 39.456 38.460 -0.663 0.000 1.264 92 Y HN 0.625 nan 8.280 nan 0.000 0.478 93 H N 1.360 120.141 119.070 -0.482 0.000 2.589 93 H HA 0.561 5.117 4.556 -0.001 0.000 0.335 93 H C -1.496 173.594 175.328 -0.396 0.000 1.019 93 H CA -0.728 55.118 56.048 -0.336 0.000 1.213 93 H CB 0.710 30.395 29.762 -0.127 0.000 1.472 93 H HN 0.356 nan 8.280 nan 0.000 0.508 94 F N 2.205 122.206 119.950 0.084 0.000 2.603 94 F HA 0.642 5.168 4.527 -0.001 0.000 0.317 94 F C -0.936 174.795 175.800 -0.114 0.000 1.066 94 F CA -1.130 56.869 58.000 -0.001 0.000 0.941 94 F CB 1.708 40.696 39.000 -0.020 0.000 1.291 94 F HN 0.305 nan 8.300 nan 0.000 0.472 95 L N 0.415 121.684 121.223 0.076 0.000 2.643 95 L HA 0.589 4.929 4.340 -0.001 0.000 0.257 95 L C 0.085 176.895 176.870 -0.101 0.000 0.922 95 L CA 0.168 54.952 54.840 -0.094 0.000 0.909 95 L CB 2.181 44.152 42.059 -0.147 0.000 1.424 95 L HN 0.837 nan 8.230 nan 0.000 0.422 96 G N 3.937 112.654 108.800 -0.139 0.000 2.225 96 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.267 96 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.267 96 G C 0.300 175.162 174.900 -0.063 0.000 1.024 96 G CA 0.315 45.356 45.100 -0.100 0.000 0.784 96 G HN 0.469 nan 8.290 nan 0.000 0.507 97 I N 0.274 120.816 120.570 -0.046 0.000 2.648 97 I HA 0.133 4.302 4.170 -0.001 0.000 0.284 97 I C 0.459 176.574 176.117 -0.004 0.000 1.153 97 I CA 0.262 61.561 61.300 -0.002 0.000 1.426 97 I CB 0.761 38.809 38.000 0.079 0.000 1.381 97 I HN 0.130 nan 8.210 nan 0.000 0.571 98 Q N 6.165 125.946 119.800 -0.032 0.000 2.398 98 Q HA 0.404 4.743 4.340 -0.001 0.000 0.251 98 Q C -0.131 175.823 176.000 -0.077 0.000 0.999 98 Q CA -0.659 55.111 55.803 -0.055 0.000 0.874 98 Q CB 1.774 30.478 28.738 -0.057 0.000 1.215 98 Q HN 0.445 nan 8.270 nan 0.000 0.470 99 M N 1.500 121.023 119.600 -0.128 0.000 2.226 99 M HA 0.323 4.802 4.480 -0.001 0.000 0.324 99 M C 0.347 176.537 176.300 -0.184 0.000 1.112 99 M CA 0.475 55.655 55.300 -0.201 0.000 1.176 99 M CB 0.229 32.510 32.600 -0.532 0.000 1.430 99 M HN 0.285 nan 8.290 nan 0.000 0.462 100 K N -0.088 120.240 120.400 -0.121 0.000 2.495 100 K HA 0.453 4.772 4.320 -0.001 0.000 0.268 100 K C -0.668 175.926 176.600 -0.010 0.000 1.008 100 K CA -0.781 55.464 56.287 -0.070 0.000 0.882 100 K CB 1.818 34.295 32.500 -0.039 0.000 1.443 100 K HN 0.541 nan 8.250 nan 0.000 0.447 101 S N 2.095 117.793 115.700 -0.003 0.000 2.558 101 S HA -0.008 4.462 4.470 -0.001 0.000 0.288 101 S C 0.351 174.978 174.600 0.044 0.000 1.318 101 S CA 0.012 58.232 58.200 0.034 0.000 1.056 101 S CB -0.075 63.137 63.200 0.021 0.000 0.853 101 S HN 0.733 nan 8.310 nan 0.000 0.505 102 N N -0.799 117.936 118.700 0.058 0.000 2.725 102 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 102 N C -0.982 174.510 175.510 -0.030 0.000 1.103 102 N CA 0.492 53.579 53.050 0.062 0.000 0.707 102 N CB -1.490 37.049 38.487 0.087 0.000 1.043 102 N HN 0.313 nan 8.380 nan 0.000 0.553 103 V N 1.519 121.339 119.914 -0.157 0.000 2.417 103 V HA 0.299 4.419 4.120 -0.001 0.000 0.291 103 V C 0.170 175.913 176.094 -0.584 0.000 1.024 103 V CA -0.537 61.662 62.300 -0.168 0.000 0.861 103 V CB 1.866 33.713 31.823 0.039 0.000 0.985 103 V HN 0.176 nan 8.190 nan 0.000 0.436 104 H N 5.488 124.482 119.070 -0.126 0.000 2.800 104 H HA 0.509 5.065 4.556 -0.001 0.000 0.322 104 H C -0.690 174.479 175.328 -0.264 0.000 0.979 104 H CA -0.341 55.565 56.048 -0.237 0.000 1.277 104 H CB 1.902 31.579 29.762 -0.142 0.000 1.484 104 H HN 0.470 nan 8.280 nan 0.000 0.512 105 I N 3.940 124.299 120.570 -0.350 0.000 2.359 105 I HA 0.282 4.451 4.170 -0.001 0.000 0.294 105 I C 0.167 176.011 176.117 -0.455 0.000 0.987 105 I CA -0.655 60.373 61.300 -0.455 0.000 1.225 105 I CB 0.879 38.426 38.000 -0.755 0.000 1.366 105 I HN 0.231 nan 8.210 nan 0.000 0.466 106 R N 5.246 125.535 120.500 -0.351 0.000 2.670 106 R HA 0.715 5.055 4.340 -0.001 0.000 0.289 106 R C -1.292 174.831 176.300 -0.295 0.000 0.965 106 R CA -0.925 55.025 56.100 -0.251 0.000 0.899 106 R CB 2.322 32.547 30.300 -0.125 0.000 1.173 106 R HN 0.309 nan 8.270 nan 0.000 0.456 107 V N 2.107 121.871 119.914 -0.250 0.000 2.531 107 V HA 0.288 4.407 4.120 -0.001 0.000 0.301 107 V C 0.329 176.371 176.094 -0.088 0.000 1.034 107 V CA -0.985 61.134 62.300 -0.301 0.000 0.865 107 V CB 2.083 33.458 31.823 -0.747 0.000 0.995 107 V HN 0.615 nan 8.190 nan 0.000 0.424 108 E N 1.540 121.716 120.200 -0.039 0.000 2.422 108 E HA 0.044 4.394 4.350 -0.001 0.000 0.260 108 E C 0.957 177.628 176.600 0.118 0.000 1.108 108 E CA 0.119 56.547 56.400 0.047 0.000 0.943 108 E CB 0.721 30.451 29.700 0.050 0.000 0.961 108 E HN 0.685 nan 8.360 nan 0.000 0.443 109 S N 1.118 116.898 115.700 0.134 0.000 2.469 109 S HA -0.121 4.348 4.470 -0.001 0.000 0.238 109 S C 0.534 175.234 174.600 0.166 0.000 0.998 109 S CA 1.023 59.324 58.200 0.168 0.000 0.957 109 S CB 0.056 63.329 63.200 0.121 0.000 0.764 109 S HN 0.371 nan 8.310 nan 0.000 0.514 110 D N 0.876 121.358 120.400 0.136 0.000 2.462 110 D HA 0.226 4.866 4.640 -0.001 0.000 0.221 110 D C -0.304 176.075 176.300 0.132 0.000 1.173 110 D CA -0.024 54.048 54.000 0.120 0.000 0.831 110 D CB 0.811 41.659 40.800 0.081 0.000 1.001 110 D HN 0.168 nan 8.370 nan 0.000 0.499 111 V N 1.405 121.425 119.914 0.176 0.000 2.775 111 V HA 0.220 4.339 4.120 -0.001 0.000 0.299 111 V C 0.553 176.779 176.094 0.219 0.000 1.062 111 V CA -0.038 62.371 62.300 0.182 0.000 1.063 111 V CB 1.624 33.524 31.823 0.129 0.000 0.994 111 V HN 0.006 nan 8.190 nan 0.000 0.483 112 I N 5.124 125.789 120.570 0.158 0.000 2.466 112 I HA 0.489 4.658 4.170 -0.001 0.000 0.289 112 I C -0.679 175.500 176.117 0.102 0.000 1.026 112 I CA -0.227 61.151 61.300 0.129 0.000 1.078 112 I CB 1.875 39.898 38.000 0.037 0.000 1.249 112 I HN 0.393 nan 8.210 nan 0.000 0.429 113 I N 6.531 127.193 120.570 0.152 0.000 2.406 113 I HA 0.414 4.584 4.170 -0.001 0.000 0.290 113 I C -0.497 175.628 176.117 0.013 0.000 0.999 113 I CA -0.604 60.757 61.300 0.103 0.000 1.124 113 I CB 1.656 39.847 38.000 0.318 0.000 1.289 113 I HN 0.477 nan 8.210 nan 0.000 0.441 114 K N 7.073 127.379 120.400 -0.156 0.000 2.385 114 K HA 0.546 4.865 4.320 -0.001 0.000 0.248 114 K C -2.688 173.886 176.600 -0.042 0.000 0.955 114 K CA -1.755 54.477 56.287 -0.092 0.000 0.816 114 K CB 2.242 34.593 32.500 -0.249 0.000 1.250 114 K HN 0.251 nan 8.250 nan 0.000 0.434 115 P HA 0.045 nan 4.420 nan 0.000 0.280 115 P C -0.710 176.664 177.300 0.124 0.000 1.244 115 P CA -0.235 62.903 63.100 0.064 0.000 0.784 115 P CB 0.691 32.394 31.700 0.005 0.000 0.913 116 T N 4.038 118.646 114.554 0.090 0.000 2.870 116 T HA 0.033 4.383 4.350 -0.001 0.000 0.300 116 T C 0.072 174.819 174.700 0.079 0.000 0.989 116 T CA -0.215 61.956 62.100 0.119 0.000 1.139 116 T CB 0.177 69.079 68.868 0.057 0.000 0.920 116 T HN 0.431 nan 8.240 nan 0.000 0.537 117 W N 5.057 126.337 121.300 -0.035 0.000 2.264 117 W HA 0.109 4.769 4.660 -0.001 0.000 0.331 117 W C -0.292 176.173 176.519 -0.090 0.000 1.364 117 W CA -0.176 57.136 57.345 -0.055 0.000 1.253 117 W CB 0.235 29.675 29.460 -0.033 0.000 1.215 117 W HN 0.482 nan 8.180 nan 0.000 0.561 118 N N 4.224 122.239 118.700 -1.142 0.000 2.500 118 N HA 0.215 4.955 4.740 -0.001 0.000 0.291 118 N C -0.045 174.676 175.510 -1.314 0.000 1.092 118 N CA -0.275 52.150 53.050 -1.041 0.000 0.890 118 N CB 1.608 39.598 38.487 -0.828 0.000 1.466 118 N HN 0.592 nan 8.380 nan 0.000 0.507 119 G N 1.409 109.569 108.800 -1.066 0.000 3.518 119 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.273 119 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.273 119 G C 0.473 175.248 174.900 -0.209 0.000 1.199 119 G CA -0.240 44.487 45.100 -0.621 0.000 0.899 119 G HN 0.681 nan 8.290 nan 0.000 0.533 120 D N -0.986 119.319 120.400 -0.159 0.000 2.336 120 D HA 0.156 4.795 4.640 -0.001 0.000 0.229 120 D C 1.823 178.094 176.300 -0.048 0.000 1.061 120 D CA 0.196 54.159 54.000 -0.062 0.000 0.875 120 D CB -0.364 40.416 40.800 -0.034 0.000 0.904 120 D HN 0.255 nan 8.370 nan 0.000 0.525 121 G N -0.025 108.738 108.800 -0.062 0.000 2.205 121 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.269 121 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.269 121 G C 0.395 175.194 174.900 -0.168 0.000 0.977 121 G CA 0.807 45.859 45.100 -0.079 0.000 0.652 121 G HN 0.518 nan 8.290 nan 0.000 0.539 122 K N -0.005 120.230 120.400 -0.275 0.000 2.155 122 K HA 0.342 4.661 4.320 -0.001 0.000 0.237 122 K C 0.197 176.387 176.600 -0.683 0.000 1.040 122 K CA -0.781 55.291 56.287 -0.358 0.000 0.912 122 K CB 0.236 32.603 32.500 -0.222 0.000 1.137 122 K HN 0.092 nan 8.250 nan 0.000 0.498 123 N N 1.837 120.284 118.700 -0.421 0.000 2.442 123 N HA 0.106 4.845 4.740 -0.001 0.000 0.265 123 N C -0.774 174.455 175.510 -0.468 0.000 1.138 123 N CA 0.125 52.935 53.050 -0.400 0.000 0.956 123 N CB 0.441 38.770 38.487 -0.263 0.000 1.067 123 N HN 0.424 nan 8.380 nan 0.000 0.474 124 H N 0.865 119.792 119.070 -0.238 0.000 2.670 124 H HA 0.643 5.199 4.556 -0.001 0.000 0.361 124 H C -0.246 174.919 175.328 -0.272 0.000 1.169 124 H CA -0.901 55.006 56.048 -0.235 0.000 1.198 124 H CB 1.541 31.179 29.762 -0.207 0.000 1.700 124 H HN 0.284 nan 8.280 nan 0.000 0.542 125 R N 0.696 121.139 120.500 -0.095 0.000 2.725 125 R HA 0.250 4.590 4.340 -0.001 0.000 0.277 125 R C 0.087 176.242 176.300 -0.242 0.000 0.987 125 R CA -0.706 55.293 56.100 -0.168 0.000 0.901 125 R CB 1.347 31.556 30.300 -0.151 0.000 1.207 125 R HN 0.463 nan 8.270 nan 0.000 0.463 126 L N 0.642 121.631 121.223 -0.389 0.000 2.044 126 L HA 0.201 4.541 4.340 -0.001 0.000 0.205 126 L C -0.187 176.142 176.870 -0.902 0.000 1.075 126 L CA 1.415 55.812 54.840 -0.738 0.000 0.747 126 L CB 0.103 41.481 42.059 -1.135 0.000 0.903 126 L HN 0.418 nan 8.230 nan 0.000 0.435 127 F N -1.135 118.632 119.950 -0.304 0.000 2.556 127 F HA 0.440 4.966 4.527 -0.001 0.000 0.314 127 F C -0.308 175.392 175.800 -0.167 0.000 1.106 127 F CA -1.133 56.687 58.000 -0.299 0.000 0.911 127 F CB 1.366 40.025 39.000 -0.569 0.000 1.190 127 F HN -0.195 nan 8.300 nan 0.000 0.448 128 E N 1.851 122.085 120.200 0.057 0.000 2.210 128 E HA 0.681 5.031 4.350 -0.001 0.000 0.266 128 E C -1.497 175.068 176.600 -0.058 0.000 0.883 128 E CA -0.981 55.421 56.400 0.004 0.000 0.761 128 E CB 3.114 32.792 29.700 -0.036 0.000 1.156 128 E HN 0.351 nan 8.360 nan 0.000 0.412 129 V N 1.713 121.570 119.914 -0.094 0.000 2.357 129 V HA 0.478 4.598 4.120 -0.001 0.000 0.281 129 V C 0.800 176.777 176.094 -0.196 0.000 1.015 129 V CA -0.183 61.972 62.300 -0.242 0.000 0.827 129 V CB 0.875 32.471 31.823 -0.378 0.000 1.018 129 V HN 1.040 nan 8.190 nan 0.000 0.432 130 G N 3.374 112.073 108.800 -0.168 0.000 2.143 130 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.249 130 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.249 130 G C 0.493 175.346 174.900 -0.078 0.000 0.981 130 G CA 0.395 45.421 45.100 -0.123 0.000 0.665 130 G HN 0.637 nan 8.290 nan 0.000 0.528 131 V N 0.298 120.170 119.914 -0.069 0.000 2.346 131 V HA -0.010 4.109 4.120 -0.001 0.000 0.244 131 V C 1.954 178.021 176.094 -0.046 0.000 1.037 131 V CA 2.087 64.361 62.300 -0.045 0.000 1.029 131 V CB -0.192 31.605 31.823 -0.043 0.000 0.663 131 V HN 0.504 nan 8.190 nan 0.000 0.454 132 N N 0.883 119.549 118.700 -0.056 0.000 2.204 132 N HA 0.128 4.868 4.740 -0.001 0.000 0.219 132 N C -0.201 175.274 175.510 -0.059 0.000 1.151 132 N CA 0.143 53.162 53.050 -0.051 0.000 0.867 132 N CB 0.486 38.944 38.487 -0.047 0.000 1.043 132 N HN 0.737 nan 8.380 nan 0.000 0.516 133 N N -0.387 118.269 118.700 -0.072 0.000 3.441 133 N HA 0.263 5.002 4.740 -0.001 0.000 0.313 133 N C -1.543 173.910 175.510 -0.096 0.000 1.526 133 N CA -0.547 52.456 53.050 -0.079 0.000 0.871 133 N CB 0.749 39.194 38.487 -0.071 0.000 1.779 133 N HN -0.200 nan 8.380 nan 0.000 0.529 134 I N 0.473 120.986 120.570 -0.095 0.000 2.378 134 I HA 0.518 4.688 4.170 -0.001 0.000 0.291 134 I C -0.715 175.352 176.117 -0.082 0.000 0.992 134 I CA -1.124 60.116 61.300 -0.100 0.000 1.154 134 I CB 1.815 39.752 38.000 -0.106 0.000 1.315 134 I HN 0.230 nan 8.210 nan 0.000 0.448 135 V N 6.761 126.624 119.914 -0.085 0.000 2.540 135 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 135 V C -0.226 175.861 176.094 -0.012 0.000 1.035 135 V CA -0.724 61.534 62.300 -0.071 0.000 0.873 135 V CB 1.942 33.673 31.823 -0.153 0.000 0.992 135 V HN 0.619 nan 8.190 nan 0.000 0.428 136 R N 3.630 124.151 120.500 0.035 0.000 2.621 136 R HA 0.476 4.816 4.340 -0.001 0.000 0.284 136 R C -0.899 175.485 176.300 0.141 0.000 0.998 136 R CA -0.818 55.333 56.100 0.085 0.000 0.895 136 R CB 1.720 32.051 30.300 0.051 0.000 1.195 136 R HN 0.877 nan 8.270 nan 0.000 0.450 137 N N 1.425 120.252 118.700 0.212 0.000 2.590 137 N HA -0.238 4.502 4.740 -0.001 0.000 0.273 137 N C -1.083 174.586 175.510 0.265 0.000 1.210 137 N CA 0.759 53.969 53.050 0.267 0.000 0.676 137 N CB -1.051 37.556 38.487 0.199 0.000 0.881 137 N HN 0.555 nan 8.380 nan 0.000 0.550 138 F N 0.619 120.666 119.950 0.161 0.000 2.588 138 F HA 0.723 5.250 4.527 -0.001 0.000 0.310 138 F C -0.638 175.214 175.800 0.087 0.000 1.082 138 F CA -0.381 57.590 58.000 -0.048 0.000 0.929 138 F CB 1.785 40.772 39.000 -0.022 0.000 1.254 138 F HN 0.239 nan 8.300 nan 0.000 0.455 139 S N 4.254 119.235 115.700 -1.199 0.000 2.556 139 S HA 0.775 5.244 4.470 -0.001 0.000 0.271 139 S C -1.873 172.237 174.600 -0.817 0.000 1.135 139 S CA -0.639 57.125 58.200 -0.726 0.000 0.858 139 S CB 2.018 65.138 63.200 -0.133 0.000 1.114 139 S HN 0.795 nan 8.310 nan 0.000 0.468 140 F N 1.665 121.321 119.950 -0.490 0.000 2.745 140 F HA 0.585 5.112 4.527 -0.001 0.000 0.343 140 F C -0.742 175.049 175.800 -0.015 0.000 1.196 140 F CA -0.080 57.785 58.000 -0.225 0.000 1.021 140 F CB 1.705 40.685 39.000 -0.032 0.000 1.297 140 F HN 0.915 nan 8.300 nan 0.000 0.486 141 Q N 3.924 123.809 119.800 0.141 0.000 2.331 141 Q HA 0.648 4.987 4.340 -0.001 0.000 0.272 141 Q C -0.746 175.425 176.000 0.285 0.000 1.062 141 Q CA -0.960 54.997 55.803 0.257 0.000 0.806 141 Q CB 2.246 31.043 28.738 0.098 0.000 1.312 141 Q HN 0.881 nan 8.270 nan 0.000 0.431 142 G N 3.016 112.124 108.800 0.513 0.000 2.444 142 G HA2 0.478 4.438 3.960 -0.001 0.000 0.268 142 G HA3 0.478 4.438 3.960 -0.001 0.000 0.268 142 G C -0.506 174.560 174.900 0.276 0.000 1.203 142 G CA -0.506 44.922 45.100 0.546 0.000 0.835 142 G HN 0.569 nan 8.290 nan 0.000 0.543 143 L N 1.300 122.647 121.223 0.207 0.000 2.399 143 L HA 0.573 4.912 4.340 -0.001 0.000 0.265 143 L C 1.562 178.510 176.870 0.129 0.000 1.089 143 L CA 0.446 55.362 54.840 0.126 0.000 0.802 143 L CB 0.923 43.029 42.059 0.079 0.000 1.180 143 L HN 0.976 nan 8.230 nan 0.000 0.454 144 G N 2.146 111.000 108.800 0.089 0.000 2.622 144 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.307 144 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.307 144 G C 0.455 175.402 174.900 0.078 0.000 1.226 144 G CA 0.700 45.846 45.100 0.076 0.000 0.997 144 G HN 0.987 nan 8.290 nan 0.000 0.551 145 N N 2.449 121.194 118.700 0.076 0.000 2.370 145 N HA 0.473 5.213 4.740 -0.001 0.000 0.198 145 N C 1.063 176.618 175.510 0.076 0.000 1.156 145 N CA 1.620 54.708 53.050 0.063 0.000 0.839 145 N CB -0.029 38.487 38.487 0.048 0.000 0.989 145 N HN 2.394 nan 8.380 nan 0.000 0.468 146 G N -0.544 108.333 108.800 0.129 0.000 2.730 146 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.686 146 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.686 146 G C -0.515 174.524 174.900 0.232 0.000 1.343 146 G CA -0.438 44.761 45.100 0.166 0.000 0.826 146 G HN 0.511 nan 8.290 nan 0.000 0.582 147 F N -1.101 118.972 119.950 0.206 0.000 2.611 147 F HA 0.938 5.465 4.527 -0.001 0.000 0.374 147 F C -0.109 175.806 175.800 0.191 0.000 1.110 147 F CA -1.843 56.264 58.000 0.178 0.000 1.090 147 F CB 1.182 40.289 39.000 0.178 0.000 1.388 147 F HN 0.747 nan 8.300 nan 0.000 0.501 148 L N 1.276 122.710 121.223 0.353 0.000 2.362 148 L HA 0.727 5.066 4.340 -0.001 0.000 0.275 148 L C -1.463 175.544 176.870 0.228 0.000 0.998 148 L CA -0.724 54.221 54.840 0.176 0.000 0.820 148 L CB 1.904 44.035 42.059 0.120 0.000 1.270 148 L HN 0.567 nan 8.230 nan 0.000 0.415 149 V N 4.009 123.972 119.914 0.081 0.000 2.370 149 V HA 0.434 4.553 4.120 -0.001 0.000 0.283 149 V C -0.943 175.068 176.094 -0.137 0.000 1.023 149 V CA -0.467 61.835 62.300 0.004 0.000 0.857 149 V CB 1.442 33.209 31.823 -0.094 0.000 0.985 149 V HN 0.743 nan 8.190 nan 0.000 0.443 150 D N 3.772 124.136 120.400 -0.059 0.000 2.425 150 D HA 0.422 5.061 4.640 -0.001 0.000 0.240 150 D C -0.102 176.301 176.300 0.172 0.000 1.080 150 D CA -0.411 53.583 54.000 -0.011 0.000 0.836 150 D CB 1.265 42.086 40.800 0.035 0.000 1.125 150 D HN 0.265 nan 8.370 nan 0.000 0.525 151 F N 2.093 122.069 119.950 0.044 0.000 2.678 151 F HA 0.239 4.765 4.527 -0.001 0.000 0.305 151 F C 1.929 177.758 175.800 0.049 0.000 1.090 151 F CA -0.197 57.832 58.000 0.049 0.000 1.272 151 F CB 0.030 39.063 39.000 0.055 0.000 1.060 151 F HN 0.330 nan 8.300 nan 0.000 0.576 152 K N 0.045 120.569 120.400 0.206 0.000 2.360 152 K HA -0.119 4.200 4.320 -0.001 0.000 0.201 152 K C 0.303 176.966 176.600 0.105 0.000 1.046 152 K CA 1.169 57.536 56.287 0.132 0.000 0.945 152 K CB 0.017 32.568 32.500 0.085 0.000 0.750 152 K HN 0.163 nan 8.250 nan 0.000 0.464 153 D N -0.085 120.381 120.400 0.109 0.000 2.479 153 D HA 0.019 4.659 4.640 -0.001 0.000 0.218 153 D C -0.220 176.117 176.300 0.062 0.000 1.177 153 D CA 0.150 54.193 54.000 0.072 0.000 0.830 153 D CB 0.755 41.593 40.800 0.063 0.000 1.014 153 D HN -0.083 nan 8.370 nan 0.000 0.503 154 S N 0.174 115.928 115.700 0.090 0.000 2.585 154 S HA 0.279 4.748 4.470 -0.001 0.000 0.277 154 S C 1.050 175.679 174.600 0.048 0.000 1.241 154 S CA -0.492 57.754 58.200 0.077 0.000 1.041 154 S CB 1.266 64.512 63.200 0.076 0.000 0.987 154 S HN 0.007 nan 8.310 nan 0.000 0.512 155 R N 1.512 122.026 120.500 0.023 0.000 2.334 155 R HA 0.206 4.546 4.340 -0.001 0.000 0.216 155 R C -0.465 175.961 176.300 0.210 0.000 0.905 155 R CA -0.158 55.944 56.100 0.002 0.000 1.064 155 R CB 0.116 30.241 30.300 -0.291 0.000 1.046 155 R HN 0.498 nan 8.270 nan 0.000 0.508 156 D N 1.838 122.404 120.400 0.278 0.000 2.280 156 D HA 0.017 4.657 4.640 -0.001 0.000 0.243 156 D C 0.644 176.991 176.300 0.078 0.000 1.129 156 D CA -0.063 54.088 54.000 0.251 0.000 0.848 156 D CB 1.213 42.139 40.800 0.210 0.000 1.107 156 D HN 0.142 nan 8.370 nan 0.000 0.471 157 K N 2.051 122.503 120.400 0.086 0.000 2.352 157 K HA 0.117 4.437 4.320 -0.001 0.000 0.194 157 K C -0.126 176.503 176.600 0.050 0.000 1.038 157 K CA -0.054 56.269 56.287 0.059 0.000 1.023 157 K CB 0.363 32.914 32.500 0.086 0.000 0.840 157 K HN 0.071 nan 8.250 nan 0.000 0.519 158 N N 2.104 120.840 118.700 0.060 0.000 2.918 158 N HA 0.252 4.991 4.740 -0.001 0.000 0.247 158 N C -1.255 174.276 175.510 0.034 0.000 1.117 158 N CA -0.015 53.129 53.050 0.158 0.000 1.005 158 N CB 0.866 39.426 38.487 0.122 0.000 1.297 158 N HN 0.165 nan 8.380 nan 0.000 0.513 159 L N 0.665 121.896 121.223 0.013 0.000 2.408 159 L HA 0.782 5.121 4.340 -0.001 0.000 0.268 159 L C -0.463 176.381 176.870 -0.044 0.000 0.986 159 L CA -0.888 53.857 54.840 -0.159 0.000 0.820 159 L CB 2.083 43.836 42.059 -0.510 0.000 1.303 159 L HN 0.223 nan 8.230 nan 0.000 0.411 160 A N 2.193 124.972 122.820 -0.069 0.000 2.413 160 A HA 0.715 5.035 4.320 -0.001 0.000 0.307 160 A C 0.315 177.952 177.584 0.087 0.000 1.087 160 A CA -0.482 51.587 52.037 0.053 0.000 0.750 160 A CB 1.824 20.789 19.000 -0.059 0.000 1.296 160 A HN 0.434 nan 8.150 nan 0.000 0.423 161 V N 0.103 120.126 119.914 0.182 0.000 2.331 161 V HA 0.104 4.224 4.120 -0.001 0.000 0.242 161 V C 0.092 176.099 176.094 -0.145 0.000 1.034 161 V CA 1.427 63.759 62.300 0.054 0.000 1.027 161 V CB -0.626 31.317 31.823 0.201 0.000 0.667 161 V HN 0.648 nan 8.190 nan 0.000 0.457 162 F N -0.157 119.884 119.950 0.152 0.000 2.529 162 F HA 0.573 5.100 4.527 -0.001 0.000 0.320 162 F C -0.102 175.745 175.800 0.078 0.000 1.118 162 F CA -0.737 57.344 58.000 0.134 0.000 0.915 162 F CB 1.806 40.890 39.000 0.141 0.000 1.161 162 F HN -0.194 nan 8.300 nan 0.000 0.445 163 K N 5.173 125.700 120.400 0.211 0.000 2.358 163 K HA 0.657 4.977 4.320 -0.001 0.000 0.260 163 K C -1.645 175.014 176.600 0.098 0.000 0.956 163 K CA -0.426 55.933 56.287 0.121 0.000 0.834 163 K CB 0.989 33.500 32.500 0.018 0.000 1.102 163 K HN 0.682 nan 8.250 nan 0.000 0.431 164 L N 3.176 124.455 121.223 0.094 0.000 2.334 164 L HA 0.613 4.953 4.340 -0.001 0.000 0.275 164 L C 0.685 177.576 176.870 0.035 0.000 1.036 164 L CA -0.652 54.195 54.840 0.011 0.000 0.807 164 L CB 1.740 43.781 42.059 -0.030 0.000 1.231 164 L HN 0.929 nan 8.230 nan 0.000 0.438 165 G N -0.014 108.779 108.800 -0.011 0.000 3.259 165 G HA2 0.043 4.003 3.960 -0.001 0.000 0.193 165 G HA3 0.043 4.003 3.960 -0.001 0.000 0.193 165 G C -0.890 174.029 174.900 0.031 0.000 1.457 165 G CA -0.063 45.060 45.100 0.037 0.000 0.771 165 G HN 0.490 nan 8.290 nan 0.000 0.765 166 D N 1.176 121.569 120.400 -0.013 0.000 2.558 166 D HA 0.365 5.004 4.640 -0.001 0.000 0.221 166 D C -0.721 175.533 176.300 -0.077 0.000 1.143 166 D CA 0.046 54.020 54.000 -0.044 0.000 1.010 166 D CB 0.314 41.056 40.800 -0.097 0.000 1.068 166 D HN 0.133 nan 8.370 nan 0.000 0.511 167 V N 3.925 123.795 119.914 -0.073 0.000 2.709 167 V HA 0.612 4.732 4.120 -0.001 0.000 0.308 167 V C -1.140 174.982 176.094 0.048 0.000 1.062 167 V CA -0.736 61.509 62.300 -0.091 0.000 0.901 167 V CB 1.853 33.506 31.823 -0.284 0.000 1.003 167 V HN 0.319 nan 8.190 nan 0.000 0.425 168 R N 4.322 124.906 120.500 0.139 0.000 2.744 168 R HA 0.522 4.861 4.340 -0.001 0.000 0.279 168 R C -0.612 175.880 176.300 0.321 0.000 0.977 168 R CA -0.869 55.380 56.100 0.248 0.000 0.906 168 R CB 1.411 31.789 30.300 0.130 0.000 1.197 168 R HN 0.888 nan 8.270 nan 0.000 0.463 169 N N 1.348 120.261 118.700 0.356 0.000 2.573 169 N HA -0.220 4.519 4.740 -0.001 0.000 0.275 169 N C -1.789 174.070 175.510 0.581 0.000 1.208 169 N CA 0.834 54.093 53.050 0.348 0.000 0.688 169 N CB -0.779 37.824 38.487 0.193 0.000 0.882 169 N HN 0.586 nan 8.380 nan 0.000 0.548 170 Y N -0.821 119.709 120.300 0.384 0.000 2.638 170 Y HA 0.823 5.372 4.550 -0.001 0.000 0.339 170 Y C -0.482 175.302 175.900 -0.194 0.000 1.084 170 Y CA -1.304 56.929 58.100 0.222 0.000 1.068 170 Y CB 1.311 39.911 38.460 0.234 0.000 1.294 170 Y HN 0.260 nan 8.280 nan 0.000 0.480 171 K N 2.097 122.338 120.400 -0.265 0.000 2.550 171 K HA 0.648 4.968 4.320 -0.001 0.000 0.252 171 K C -2.374 174.127 176.600 -0.164 0.000 0.943 171 K CA -0.506 55.495 56.287 -0.476 0.000 0.806 171 K CB 1.848 33.761 32.500 -0.979 0.000 1.289 171 K HN 0.883 nan 8.250 nan 0.000 0.435 172 I N 2.508 123.019 120.570 -0.099 0.000 2.466 172 I HA 0.373 4.543 4.170 -0.001 0.000 0.289 172 I C -0.782 175.360 176.117 0.042 0.000 1.026 172 I CA -0.578 60.711 61.300 -0.019 0.000 1.078 172 I CB 2.079 39.970 38.000 -0.182 0.000 1.249 172 I HN 0.629 nan 8.210 nan 0.000 0.429 173 S N 4.876 120.706 115.700 0.216 0.000 2.547 173 S HA 0.502 4.972 4.470 -0.001 0.000 0.270 173 S C -0.841 173.912 174.600 0.256 0.000 1.150 173 S CA -0.539 57.740 58.200 0.132 0.000 0.850 173 S CB 1.379 64.599 63.200 0.034 0.000 1.118 173 S HN 0.715 nan 8.310 nan 0.000 0.461 174 N N 1.016 119.721 118.700 0.010 0.000 2.573 174 N HA -0.113 4.626 4.740 -0.001 0.000 0.275 174 N C -0.920 174.616 175.510 0.044 0.000 1.208 174 N CA 1.694 54.757 53.050 0.021 0.000 0.688 174 N CB -1.888 36.674 38.487 0.125 0.000 0.882 174 N HN 0.946 nan 8.380 nan 0.000 0.548 175 F N -2.510 117.276 119.950 -0.273 0.000 2.773 175 F HA 0.682 5.209 4.527 -0.001 0.000 0.314 175 F C -0.400 175.208 175.800 -0.320 0.000 1.160 175 F CA -0.994 56.669 58.000 -0.561 0.000 0.920 175 F CB 0.872 39.061 39.000 -1.353 0.000 1.323 175 F HN -0.061 nan 8.300 nan 0.000 0.457 176 T N 2.151 116.658 114.554 -0.078 0.000 2.856 176 T HA 0.699 5.048 4.350 -0.001 0.000 0.283 176 T C -0.724 173.974 174.700 -0.004 0.000 1.008 176 T CA -0.501 61.554 62.100 -0.075 0.000 0.997 176 T CB 1.553 70.380 68.868 -0.068 0.000 0.992 176 T HN 0.557 nan 8.240 nan 0.000 0.454 177 I N 2.525 123.066 120.570 -0.048 0.000 2.382 177 I HA 0.287 4.456 4.170 -0.001 0.000 0.285 177 I C -0.582 175.454 176.117 -0.136 0.000 1.007 177 I CA -0.759 60.477 61.300 -0.106 0.000 1.142 177 I CB 1.443 39.387 38.000 -0.092 0.000 1.289 177 I HN 0.449 nan 8.210 nan 0.000 0.453 178 D N 5.572 125.881 120.400 -0.151 0.000 2.468 178 D HA 0.141 4.781 4.640 -0.001 0.000 0.218 178 D C -0.051 176.209 176.300 -0.067 0.000 1.155 178 D CA 0.007 53.958 54.000 -0.082 0.000 0.924 178 D CB 0.467 41.245 40.800 -0.037 0.000 1.029 178 D HN 0.360 nan 8.370 nan 0.000 0.515 179 D N 0.614 121.001 120.400 -0.022 0.000 2.398 179 D HA 0.084 4.724 4.640 -0.001 0.000 0.247 179 D C 0.076 176.468 176.300 0.152 0.000 1.227 179 D CA -0.174 53.897 54.000 0.119 0.000 0.980 179 D CB 0.736 41.602 40.800 0.109 0.000 1.106 179 D HN 0.080 nan 8.370 nan 0.000 0.493 180 N N 0.588 119.417 118.700 0.216 0.000 2.646 180 N HA 0.064 4.804 4.740 -0.001 0.000 0.296 180 N C -1.140 174.457 175.510 0.146 0.000 1.886 180 N CA -0.285 52.859 53.050 0.157 0.000 0.855 180 N CB -0.258 38.335 38.487 0.177 0.000 1.336 180 N HN 0.342 nan 8.380 nan 0.000 0.496 181 K N 0.070 120.535 120.400 0.109 0.000 3.156 181 K HA -0.177 4.142 4.320 -0.001 0.000 0.266 181 K C -0.264 176.431 176.600 0.159 0.000 0.966 181 K CA 1.167 57.518 56.287 0.108 0.000 0.719 181 K CB -2.028 30.540 32.500 0.113 0.000 1.333 181 K HN 0.666 nan 8.250 nan 0.000 0.468 182 T N -2.302 112.337 114.554 0.141 0.000 2.849 182 T HA 0.462 4.811 4.350 -0.001 0.000 0.284 182 T C 0.837 175.535 174.700 -0.003 0.000 1.004 182 T CA -1.105 61.051 62.100 0.093 0.000 1.021 182 T CB 1.236 70.143 68.868 0.065 0.000 1.013 182 T HN 0.086 nan 8.240 nan 0.000 0.527 183 I N 1.516 122.023 120.570 -0.105 0.000 2.662 183 I HA 0.405 4.575 4.170 -0.001 0.000 0.291 183 I C -0.117 175.611 176.117 -0.649 0.000 1.046 183 I CA -0.199 60.774 61.300 -0.546 0.000 1.361 183 I CB -0.465 37.263 38.000 -0.453 0.000 1.429 183 I HN 0.815 nan 8.210 nan 0.000 0.558 184 F N 1.036 120.123 119.950 -1.438 0.000 2.164 184 F HA -0.071 4.456 4.527 -0.001 0.000 0.455 184 F C 0.416 176.042 175.800 -0.289 0.000 1.290 184 F CA -0.086 57.501 58.000 -0.689 0.000 1.431 184 F CB -1.213 37.633 39.000 -0.258 0.000 3.308 184 F HN 0.651 nan 8.300 nan 0.000 0.575 185 A N 2.442 125.403 122.820 0.235 0.000 2.406 185 A HA 0.537 4.857 4.320 -0.001 0.000 0.243 185 A C 1.156 178.877 177.584 0.228 0.000 1.082 185 A CA 0.346 52.532 52.037 0.248 0.000 0.786 185 A CB 0.329 19.470 19.000 0.234 0.000 1.029 185 A HN 0.948 nan 8.150 nan 0.000 0.495 186 S N -0.069 115.758 115.700 0.212 0.000 2.383 186 S HA 0.031 4.500 4.470 -0.001 0.000 0.227 186 S C 0.553 175.319 174.600 0.277 0.000 1.026 186 S CA 1.036 59.383 58.200 0.245 0.000 0.981 186 S CB -0.285 63.050 63.200 0.225 0.000 0.818 186 S HN 0.551 nan 8.310 nan 0.000 0.472 187 I N 2.140 122.862 120.570 0.253 0.000 2.420 187 I HA 0.297 4.467 4.170 -0.001 0.000 0.282 187 I C -1.221 175.037 176.117 0.235 0.000 1.019 187 I CA -0.335 61.134 61.300 0.281 0.000 1.130 187 I CB 1.525 39.686 38.000 0.267 0.000 1.262 187 I HN -0.015 nan 8.210 nan 0.000 0.454 188 L N 7.096 128.469 121.223 0.251 0.000 2.270 188 L HA 0.339 4.679 4.340 -0.001 0.000 0.286 188 L C -0.007 177.026 176.870 0.273 0.000 1.059 188 L CA -0.701 54.308 54.840 0.282 0.000 0.839 188 L CB 1.005 43.232 42.059 0.281 0.000 1.221 188 L HN 0.337 nan 8.230 nan 0.000 0.431 189 V N 2.150 122.221 119.914 0.262 0.000 2.153 189 V HA 0.124 4.244 4.120 -0.001 0.000 0.250 189 V C 0.327 176.619 176.094 0.330 0.000 1.334 189 V CA -0.060 62.400 62.300 0.266 0.000 1.249 189 V CB -0.036 31.954 31.823 0.277 0.000 1.371 189 V HN 0.640 nan 8.190 nan 0.000 0.498 190 D N 1.589 122.183 120.400 0.322 0.000 2.529 190 D HA 0.622 5.261 4.640 -0.001 0.000 0.273 190 D C -0.165 176.273 176.300 0.229 0.000 1.197 190 D CA -0.106 54.070 54.000 0.294 0.000 1.070 190 D CB 2.443 43.334 40.800 0.153 0.000 1.134 190 D HN 0.351 nan 8.370 nan 0.000 0.590 191 V N -2.438 117.564 119.914 0.146 0.000 2.919 191 V HA 0.845 4.965 4.120 -0.001 0.000 0.316 191 V C -0.201 175.947 176.094 0.090 0.000 1.077 191 V CA -0.484 61.927 62.300 0.185 0.000 0.977 191 V CB 1.638 33.546 31.823 0.140 0.000 1.039 191 V HN 0.523 nan 8.190 nan 0.000 0.441 192 T N 0.829 115.445 114.554 0.103 0.000 2.923 192 T HA 0.369 4.718 4.350 -0.001 0.000 0.311 192 T C -1.288 173.427 174.700 0.025 0.000 1.183 192 T CA -0.362 61.761 62.100 0.038 0.000 1.020 192 T CB 1.813 70.706 68.868 0.041 0.000 1.165 192 T HN 1.114 nan 8.240 nan 0.000 0.482 193 E N 3.016 123.195 120.200 -0.035 0.000 2.249 193 E HA 0.495 4.845 4.350 -0.001 0.000 0.280 193 E C -0.726 175.907 176.600 0.055 0.000 1.016 193 E CA -0.445 55.917 56.400 -0.063 0.000 0.830 193 E CB 1.090 30.710 29.700 -0.134 0.000 1.081 193 E HN 0.666 nan 8.360 nan 0.000 0.395 194 R N 3.620 124.201 120.500 0.135 0.000 2.563 194 R HA 0.095 4.434 4.340 -0.001 0.000 0.262 194 R C -0.708 175.694 176.300 0.171 0.000 1.128 194 R CA -0.297 55.878 56.100 0.125 0.000 0.969 194 R CB 0.494 30.812 30.300 0.030 0.000 1.251 194 R HN 0.709 nan 8.270 nan 0.000 0.442 195 N N 2.222 120.981 118.700 0.097 0.000 2.735 195 N HA -0.208 4.532 4.740 -0.001 0.000 0.248 195 N C 0.481 176.056 175.510 0.109 0.000 1.083 195 N CA 2.242 55.347 53.050 0.092 0.000 0.703 195 N CB -0.910 37.630 38.487 0.088 0.000 1.005 195 N HN 1.077 nan 8.380 nan 0.000 0.550 196 G N -1.368 107.508 108.800 0.126 0.000 2.176 196 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.253 196 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.253 196 G C 0.067 175.117 174.900 0.250 0.000 0.979 196 G CA 0.862 46.068 45.100 0.177 0.000 0.641 196 G HN 0.984 nan 8.290 nan 0.000 0.530 197 R N -1.055 119.506 120.500 0.102 0.000 2.846 197 R HA 0.849 5.188 4.340 -0.001 0.000 0.263 197 R C -0.448 175.650 176.300 -0.338 0.000 1.080 197 R CA -1.232 54.853 56.100 -0.025 0.000 0.961 197 R CB 0.862 31.142 30.300 -0.032 0.000 1.231 197 R HN 0.157 nan 8.270 nan 0.000 0.465 198 L N 1.012 122.010 121.223 -0.374 0.000 2.399 198 L HA 0.510 4.850 4.340 -0.001 0.000 0.265 198 L C -0.095 176.477 176.870 -0.497 0.000 1.089 198 L CA -0.833 53.829 54.840 -0.298 0.000 0.802 198 L CB 1.017 43.050 42.059 -0.044 0.000 1.180 198 L HN 0.547 nan 8.230 nan 0.000 0.454 199 H N 0.248 119.347 119.070 0.050 0.000 2.895 199 H HA 0.440 4.995 4.556 -0.001 0.000 0.373 199 H C -1.330 174.054 175.328 0.094 0.000 1.174 199 H CA -0.634 55.304 56.048 -0.183 0.000 1.144 199 H CB 2.270 31.926 29.762 -0.175 0.000 1.793 199 H HN 0.709 nan 8.280 nan 0.000 0.551 200 W N -0.055 121.317 121.300 0.120 0.000 2.940 200 W HA 0.513 5.173 4.660 -0.001 0.000 0.394 200 W C -0.836 175.744 176.519 0.102 0.000 1.155 200 W CA -1.087 56.314 57.345 0.092 0.000 1.165 200 W CB 0.030 29.545 29.460 0.091 0.000 1.492 200 W HN 0.529 nan 8.180 nan 0.000 0.593 201 S N 1.157 117.093 115.700 0.394 0.000 2.584 201 S HA 0.826 5.296 4.470 -0.001 0.000 0.273 201 S C -0.422 174.413 174.600 0.392 0.000 1.311 201 S CA -0.682 57.701 58.200 0.305 0.000 1.034 201 S CB 0.933 64.286 63.200 0.254 0.000 0.939 201 S HN 0.595 nan 8.310 nan 0.000 0.513 202 R N 1.109 121.814 120.500 0.342 0.000 2.668 202 R HA 0.478 4.818 4.340 -0.001 0.000 0.272 202 R C -1.256 175.200 176.300 0.261 0.000 1.019 202 R CA -1.036 55.230 56.100 0.278 0.000 0.894 202 R CB 1.010 31.410 30.300 0.166 0.000 1.228 202 R HN 0.761 nan 8.270 nan 0.000 0.460 203 N N -0.037 118.773 118.700 0.184 0.000 2.522 203 N HA -0.132 4.608 4.740 -0.001 0.000 0.281 203 N C -0.848 174.661 175.510 -0.002 0.000 1.267 203 N CA 1.382 54.510 53.050 0.130 0.000 0.675 203 N CB -0.593 37.967 38.487 0.121 0.000 0.890 203 N HN 0.968 nan 8.380 nan 0.000 0.542 204 G N -0.231 108.449 108.800 -0.200 0.000 2.660 204 G HA2 0.769 4.729 3.960 -0.001 0.000 0.290 204 G HA3 0.769 4.729 3.960 -0.001 0.000 0.290 204 G C -1.043 173.497 174.900 -0.601 0.000 1.432 204 G CA -0.780 43.869 45.100 -0.751 0.000 0.807 204 G HN 0.233 nan 8.290 nan 0.000 0.485 205 I N 0.492 120.667 120.570 -0.658 0.000 2.499 205 I HA 0.441 4.611 4.170 -0.001 0.000 0.288 205 I C -0.934 174.921 176.117 -0.437 0.000 1.048 205 I CA -0.614 60.367 61.300 -0.530 0.000 1.062 205 I CB 2.312 40.093 38.000 -0.364 0.000 1.238 205 I HN 0.209 nan 8.210 nan 0.000 0.426 206 I N 6.587 126.920 120.570 -0.395 0.000 2.439 206 I HA 0.351 4.521 4.170 -0.001 0.000 0.283 206 I C -0.520 175.525 176.117 -0.120 0.000 1.023 206 I CA -0.228 60.960 61.300 -0.187 0.000 1.100 206 I CB 1.537 39.501 38.000 -0.061 0.000 1.238 206 I HN 0.660 nan 8.210 nan 0.000 0.445 207 E N 5.063 125.195 120.200 -0.113 0.000 2.449 207 E HA 0.624 4.974 4.350 -0.001 0.000 0.278 207 E C -0.898 175.624 176.600 -0.131 0.000 0.992 207 E CA -1.243 55.098 56.400 -0.098 0.000 0.807 207 E CB 1.198 30.841 29.700 -0.094 0.000 1.350 207 E HN 0.369 nan 8.360 nan 0.000 0.462 208 R N 0.288 120.723 120.500 -0.109 0.000 3.127 208 R HA -0.160 4.179 4.340 -0.001 0.000 0.247 208 R C -0.834 175.312 176.300 -0.256 0.000 0.896 208 R CA 0.741 56.763 56.100 -0.129 0.000 0.624 208 R CB -1.989 28.260 30.300 -0.084 0.000 1.154 208 R HN 0.472 nan 8.270 nan 0.000 0.474 209 I N 0.348 120.751 120.570 -0.278 0.000 2.533 209 I HA 0.333 4.503 4.170 -0.001 0.000 0.290 209 I C -0.209 175.769 176.117 -0.231 0.000 1.056 209 I CA -1.135 59.909 61.300 -0.427 0.000 1.057 209 I CB 2.170 39.828 38.000 -0.569 0.000 1.240 209 I HN -0.039 nan 8.210 nan 0.000 0.423 210 K N 5.398 125.663 120.400 -0.224 0.000 2.270 210 K HA 0.484 4.803 4.320 -0.001 0.000 0.255 210 K C -1.190 175.311 176.600 -0.164 0.000 0.936 210 K CA -0.457 55.725 56.287 -0.174 0.000 0.809 210 K CB 1.763 34.154 32.500 -0.182 0.000 1.131 210 K HN 0.585 nan 8.250 nan 0.000 0.427 211 Q N 3.465 123.177 119.800 -0.147 0.000 2.330 211 Q HA 0.432 4.772 4.340 -0.001 0.000 0.269 211 Q C -1.156 174.772 176.000 -0.119 0.000 1.022 211 Q CA -0.770 54.971 55.803 -0.103 0.000 0.796 211 Q CB 1.129 29.839 28.738 -0.047 0.000 1.271 211 Q HN 0.663 nan 8.270 nan 0.000 0.450 212 N N 2.879 121.519 118.700 -0.100 0.000 2.405 212 N HA 0.202 4.942 4.740 -0.001 0.000 0.299 212 N C -0.752 174.722 175.510 -0.059 0.000 1.075 212 N CA -0.385 52.610 53.050 -0.092 0.000 0.884 212 N CB 1.277 39.713 38.487 -0.085 0.000 1.194 212 N HN 0.800 nan 8.380 nan 0.000 0.491 213 N N -0.107 118.553 118.700 -0.067 0.000 2.714 213 N HA -0.216 4.523 4.740 -0.001 0.000 0.253 213 N C -1.199 174.276 175.510 -0.058 0.000 1.024 213 N CA 0.507 53.511 53.050 -0.077 0.000 0.726 213 N CB -0.825 37.626 38.487 -0.060 0.000 0.908 213 N HN 0.694 nan 8.380 nan 0.000 0.542 214 A N 0.337 123.128 122.820 -0.050 0.000 2.322 214 A HA 0.574 4.893 4.320 -0.001 0.000 0.269 214 A C 0.353 177.903 177.584 -0.057 0.000 1.094 214 A CA -0.559 51.470 52.037 -0.013 0.000 0.807 214 A CB 0.623 19.629 19.000 0.011 0.000 1.047 214 A HN 0.520 nan 8.150 nan 0.000 0.487 215 L N 2.584 123.798 121.223 -0.016 0.000 2.397 215 L HA 0.341 4.680 4.340 -0.001 0.000 0.271 215 L C 1.091 177.864 176.870 -0.162 0.000 1.148 215 L CA -0.050 54.740 54.840 -0.083 0.000 0.825 215 L CB 0.084 42.139 42.059 -0.007 0.000 1.117 215 L HN 0.791 nan 8.230 nan 0.000 0.456 216 F N 2.243 122.058 119.950 -0.225 0.000 2.147 216 F HA -0.020 4.506 4.527 -0.001 0.000 0.301 216 F C 1.590 177.244 175.800 -0.243 0.000 1.084 216 F CA 1.260 59.130 58.000 -0.217 0.000 1.268 216 F CB -1.305 37.553 39.000 -0.235 0.000 1.009 216 F HN 0.498 nan 8.300 nan 0.000 0.486 217 G N -2.104 105.916 108.800 -1.300 0.000 2.920 217 G HA2 0.189 4.148 3.960 -0.001 0.000 0.208 217 G HA3 0.189 4.148 3.960 -0.001 0.000 0.208 217 G C -0.109 174.077 174.900 -1.191 0.000 1.159 217 G CA 0.382 44.789 45.100 -1.154 0.000 0.784 217 G HN 0.478 nan 8.290 nan 0.000 0.535 218 Y N -1.139 119.020 120.300 -0.234 0.000 3.253 218 Y HA 0.680 5.230 4.550 -0.001 0.000 0.267 218 Y C 1.062 176.922 175.900 -0.067 0.000 2.071 218 Y CA -0.128 57.907 58.100 -0.108 0.000 0.845 218 Y CB 0.422 38.839 38.460 -0.072 0.000 1.446 218 Y HN 0.287 nan 8.280 nan 0.000 0.587 219 G N -0.530 108.375 108.800 0.174 0.000 2.278 219 G HA2 0.040 4.000 3.960 -0.001 0.000 0.265 219 G HA3 0.040 4.000 3.960 -0.001 0.000 0.265 219 G C -0.645 174.304 174.900 0.082 0.000 1.329 219 G CA -0.243 44.903 45.100 0.077 0.000 1.017 219 G HN 0.507 nan 8.290 nan 0.000 0.472 220 L N 0.158 121.402 121.223 0.036 0.000 1.993 220 L HA 0.462 4.802 4.340 -0.001 0.000 0.206 220 L C 1.105 178.003 176.870 0.046 0.000 1.074 220 L CA 1.556 56.418 54.840 0.037 0.000 0.746 220 L CB -0.496 41.562 42.059 -0.001 0.000 0.896 220 L HN 0.525 nan 8.230 nan 0.000 0.435 221 I N 0.298 120.855 120.570 -0.022 0.000 2.530 221 I HA 0.381 4.551 4.170 -0.001 0.000 0.297 221 I C -0.431 175.620 176.117 -0.110 0.000 1.011 221 I CA -0.320 60.948 61.300 -0.054 0.000 1.107 221 I CB 1.278 39.153 38.000 -0.210 0.000 1.285 221 I HN 0.286 nan 8.210 nan 0.000 0.436 222 Q N 3.816 123.560 119.800 -0.094 0.000 2.292 222 Q HA 0.471 4.810 4.340 -0.001 0.000 0.270 222 Q C -0.941 174.828 176.000 -0.384 0.000 1.024 222 Q CA -0.532 55.130 55.803 -0.236 0.000 0.768 222 Q CB 1.970 30.609 28.738 -0.165 0.000 1.250 222 Q HN 0.819 nan 8.270 nan 0.000 0.447 223 T N 1.053 115.341 114.554 -0.443 0.000 2.767 223 T HA 0.414 4.764 4.350 -0.001 0.000 0.284 223 T C -0.233 174.162 174.700 -0.508 0.000 0.973 223 T CA -0.236 61.663 62.100 -0.336 0.000 0.996 223 T CB 0.641 69.423 68.868 -0.144 0.000 0.927 223 T HN 0.594 nan 8.240 nan 0.000 0.456 224 Y N 2.494 122.785 120.300 -0.016 0.000 2.576 224 Y HA 0.538 5.088 4.550 -0.001 0.000 0.282 224 Y C 1.621 177.407 175.900 -0.190 0.000 1.139 224 Y CA -0.072 57.977 58.100 -0.086 0.000 1.265 224 Y CB 0.225 38.661 38.460 -0.041 0.000 1.376 224 Y HN 0.923 nan 8.280 nan 0.000 0.511 225 G N -0.087 108.697 108.800 -0.026 0.000 2.666 225 G HA2 0.697 4.657 3.960 -0.001 0.000 0.303 225 G HA3 0.697 4.657 3.960 -0.001 0.000 0.303 225 G C -1.550 173.277 174.900 -0.123 0.000 1.412 225 G CA -0.214 44.634 45.100 -0.420 0.000 0.979 225 G HN 0.329 nan 8.290 nan 0.000 0.507 226 A N 2.333 125.096 122.820 -0.096 0.000 2.582 226 A HA 0.725 5.044 4.320 -0.001 0.000 0.297 226 A C -1.847 175.921 177.584 0.307 0.000 1.059 226 A CA -0.715 51.487 52.037 0.276 0.000 0.705 226 A CB 1.704 20.863 19.000 0.267 0.000 1.279 226 A HN 0.511 nan 8.150 nan 0.000 0.404 227 D N 1.471 122.104 120.400 0.389 0.000 2.757 227 D HA 0.404 5.044 4.640 -0.001 0.000 0.249 227 D C -0.597 175.862 176.300 0.266 0.000 1.168 227 D CA -0.038 54.153 54.000 0.318 0.000 0.870 227 D CB 1.690 42.695 40.800 0.341 0.000 1.411 227 D HN 0.725 nan 8.370 nan 0.000 0.525 228 N N 2.194 121.052 118.700 0.263 0.000 2.671 228 N HA -0.159 4.581 4.740 -0.001 0.000 0.261 228 N C -1.405 174.304 175.510 0.332 0.000 1.053 228 N CA 0.528 53.761 53.050 0.305 0.000 0.732 228 N CB -0.742 37.860 38.487 0.191 0.000 0.887 228 N HN 0.363 nan 8.380 nan 0.000 0.546 229 I N 0.708 121.409 120.570 0.218 0.000 2.569 229 I HA 0.469 4.639 4.170 -0.001 0.000 0.296 229 I C 0.040 175.886 176.117 -0.452 0.000 1.028 229 I CA -0.972 60.236 61.300 -0.154 0.000 1.082 229 I CB 1.502 39.322 38.000 -0.300 0.000 1.264 229 I HN 0.210 nan 8.210 nan 0.000 0.429 230 L N 6.067 126.733 121.223 -0.929 0.000 2.313 230 L HA 0.601 4.941 4.340 -0.001 0.000 0.283 230 L C -1.530 174.865 176.870 -0.791 0.000 1.013 230 L CA 0.064 54.297 54.840 -1.011 0.000 0.816 230 L CB 1.022 42.104 42.059 -1.629 0.000 1.236 230 L HN 0.231 nan 8.230 nan 0.000 0.419 231 F N 5.032 124.840 119.950 -0.237 0.000 2.426 231 F HA 0.682 5.209 4.527 -0.001 0.000 0.348 231 F C 0.257 175.986 175.800 -0.119 0.000 1.124 231 F CA -0.406 57.505 58.000 -0.149 0.000 1.008 231 F CB 1.424 40.366 39.000 -0.097 0.000 1.139 231 F HN 0.452 nan 8.300 nan 0.000 0.452 232 R N 2.374 122.896 120.500 0.037 0.000 2.651 232 R HA 0.352 4.692 4.340 -0.001 0.000 0.278 232 R C -0.643 175.661 176.300 0.007 0.000 1.010 232 R CA -0.721 55.389 56.100 0.017 0.000 0.896 232 R CB 1.191 31.476 30.300 -0.025 0.000 1.211 232 R HN 0.643 nan 8.270 nan 0.000 0.456 233 N N 2.943 121.652 118.700 0.015 0.000 2.667 233 N HA -0.179 4.561 4.740 -0.001 0.000 0.263 233 N C -1.787 173.718 175.510 -0.008 0.000 1.038 233 N CA 0.868 53.919 53.050 0.003 0.000 0.749 233 N CB -0.544 37.939 38.487 -0.007 0.000 0.892 233 N HN 0.495 nan 8.380 nan 0.000 0.546 234 L N 1.340 122.565 121.223 0.003 0.000 2.346 234 L HA 0.494 4.834 4.340 -0.001 0.000 0.276 234 L C 0.193 177.095 176.870 0.053 0.000 1.006 234 L CA -0.822 54.019 54.840 0.001 0.000 0.817 234 L CB 2.130 44.185 42.059 -0.007 0.000 1.272 234 L HN 0.355 nan 8.230 nan 0.000 0.421 235 H N 1.431 120.459 119.070 -0.070 0.000 2.877 235 H HA 0.418 4.973 4.556 -0.001 0.000 0.347 235 H C -1.573 173.719 175.328 -0.060 0.000 1.042 235 H CA -0.353 55.660 56.048 -0.058 0.000 1.276 235 H CB 2.065 31.797 29.762 -0.051 0.000 1.681 235 H HN 0.541 nan 8.280 nan 0.000 0.521 236 S N 3.846 119.725 115.700 0.299 0.000 2.519 236 S HA 0.131 4.601 4.470 -0.001 0.000 0.309 236 S C -0.885 173.795 174.600 0.133 0.000 1.100 236 S CA -0.825 57.441 58.200 0.110 0.000 1.059 236 S CB 1.496 64.721 63.200 0.042 0.000 1.008 236 S HN 0.780 nan 8.310 nan 0.000 0.478 237 E N 3.445 123.648 120.200 0.006 0.000 2.089 237 E HA 0.520 4.870 4.350 -0.001 0.000 0.284 237 E C 0.159 176.746 176.600 -0.022 0.000 1.023 237 E CA 0.046 56.446 56.400 -0.001 0.000 0.819 237 E CB 0.294 29.953 29.700 -0.068 0.000 1.076 237 E HN 1.077 nan 8.360 nan 0.000 0.396 238 G N 2.811 111.602 108.800 -0.015 0.000 2.692 238 G HA2 0.168 4.127 3.960 -0.001 0.000 0.686 238 G HA3 0.168 4.127 3.960 -0.001 0.000 0.686 238 G C 0.470 175.360 174.900 -0.016 0.000 1.243 238 G CA -0.633 44.445 45.100 -0.036 0.000 0.782 238 G HN 1.216 nan 8.290 nan 0.000 0.625 239 G N -0.054 108.741 108.800 -0.009 0.000 2.566 239 G HA2 0.033 3.993 3.960 -0.001 0.000 0.280 239 G HA3 0.033 3.993 3.960 -0.001 0.000 0.280 239 G C 0.228 175.115 174.900 -0.021 0.000 1.225 239 G CA 0.617 45.708 45.100 -0.015 0.000 0.966 239 G HN 1.804 nan 8.290 nan 0.000 0.560 240 I N 1.223 121.771 120.570 -0.035 0.000 2.498 240 I HA 0.553 4.723 4.170 -0.001 0.000 0.290 240 I C 1.309 177.391 176.117 -0.060 0.000 1.032 240 I CA -0.269 60.998 61.300 -0.056 0.000 1.073 240 I CB 1.813 39.764 38.000 -0.083 0.000 1.251 240 I HN 0.852 nan 8.210 nan 0.000 0.426 241 A N 5.966 128.746 122.820 -0.067 0.000 1.841 241 A HA -0.005 4.315 4.320 -0.001 0.000 0.214 241 A C 0.816 178.319 177.584 -0.136 0.000 1.195 241 A CA 1.368 53.363 52.037 -0.069 0.000 0.611 241 A CB -0.062 18.906 19.000 -0.054 0.000 0.835 241 A HN 0.512 nan 8.150 nan 0.000 0.443 242 L N 0.162 121.263 121.223 -0.203 0.000 2.356 242 L HA 0.410 4.749 4.340 -0.001 0.000 0.264 242 L C 0.074 176.737 176.870 -0.345 0.000 1.029 242 L CA -0.371 54.271 54.840 -0.330 0.000 0.897 242 L CB 0.667 42.495 42.059 -0.386 0.000 1.256 242 L HN 0.316 nan 8.230 nan 0.000 0.444 243 R N 5.117 125.442 120.500 -0.291 0.000 2.296 243 R HA 0.352 4.691 4.340 -0.001 0.000 0.327 243 R C -0.599 175.530 176.300 -0.285 0.000 1.137 243 R CA -0.266 55.683 56.100 -0.252 0.000 1.020 243 R CB 0.329 30.530 30.300 -0.164 0.000 1.110 243 R HN 0.671 nan 8.270 nan 0.000 0.499 244 M N 3.789 123.201 119.600 -0.313 0.000 3.561 244 M HA 0.113 4.593 4.480 -0.001 0.000 0.230 244 M C -0.327 175.953 176.300 -0.033 0.000 1.387 244 M CA 0.364 55.544 55.300 -0.200 0.000 1.570 244 M CB 0.430 32.892 32.600 -0.230 0.000 1.057 244 M HN 0.411 nan 8.290 nan 0.000 0.607 245 E N 1.764 121.895 120.200 -0.117 0.000 2.121 245 E HA 0.142 4.491 4.350 -0.001 0.000 0.255 245 E C -0.189 176.280 176.600 -0.219 0.000 0.906 245 E CA -0.342 56.017 56.400 -0.069 0.000 0.745 245 E CB 0.841 30.521 29.700 -0.033 0.000 1.155 245 E HN 0.384 nan 8.360 nan 0.000 0.424 246 T N 1.568 115.994 114.554 -0.212 0.000 3.945 246 T HA 0.110 4.460 4.350 -0.001 0.000 0.306 246 T C 0.040 174.504 174.700 -0.394 0.000 1.475 246 T CA -0.672 61.276 62.100 -0.253 0.000 1.177 246 T CB -0.075 68.618 68.868 -0.292 0.000 1.272 246 T HN 0.402 nan 8.240 nan 0.000 0.930 247 D N -0.062 120.191 120.400 -0.245 0.000 2.479 247 D HA 0.042 4.681 4.640 -0.001 0.000 0.218 247 D C 0.308 176.693 176.300 0.142 0.000 1.177 247 D CA -0.619 53.210 54.000 -0.284 0.000 0.830 247 D CB -0.238 40.172 40.800 -0.649 0.000 1.014 247 D HN 0.380 nan 8.370 nan 0.000 0.503 248 N N 1.744 120.552 118.700 0.179 0.000 2.440 248 N HA -0.034 4.706 4.740 -0.001 0.000 0.265 248 N C 1.185 176.799 175.510 0.173 0.000 1.239 248 N CA 0.016 53.071 53.050 0.007 0.000 0.909 248 N CB 0.756 39.083 38.487 -0.268 0.000 1.066 248 N HN 0.179 nan 8.380 nan 0.000 0.474 249 L N 4.053 125.337 121.223 0.102 0.000 2.127 249 L HA -0.206 4.134 4.340 -0.001 0.000 0.211 249 L C 2.233 179.105 176.870 0.004 0.000 1.089 249 L CA 0.850 55.706 54.840 0.026 0.000 0.757 249 L CB -0.209 41.804 42.059 -0.077 0.000 0.899 249 L HN 0.600 nan 8.230 nan 0.000 0.434 250 L N -0.855 120.389 121.223 0.035 0.000 2.081 250 L HA -0.280 4.059 4.340 -0.001 0.000 0.212 250 L C 2.645 179.621 176.870 0.176 0.000 1.080 250 L CA 1.480 56.383 54.840 0.105 0.000 0.754 250 L CB -0.336 41.745 42.059 0.036 0.000 0.893 250 L HN 0.374 nan 8.230 nan 0.000 0.433 251 M N -0.928 118.754 119.600 0.137 0.000 2.296 251 M HA -0.217 4.263 4.480 -0.001 0.000 0.265 251 M C 2.271 178.676 176.300 0.175 0.000 1.064 251 M CA 1.454 56.859 55.300 0.174 0.000 1.109 251 M CB -0.306 32.404 32.600 0.183 0.000 1.396 251 M HN 0.147 nan 8.290 nan 0.000 0.430 252 K N 0.620 121.020 120.400 0.001 0.000 2.025 252 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 252 K C 1.658 178.155 176.600 -0.171 0.000 1.049 252 K CA 1.288 57.346 56.287 -0.382 0.000 0.933 252 K CB 0.089 32.039 32.500 -0.918 0.000 0.714 252 K HN 0.289 nan 8.250 nan 0.000 0.438 253 N N 0.072 118.717 118.700 -0.093 0.000 2.084 253 N HA -0.171 4.569 4.740 -0.001 0.000 0.190 253 N C 1.632 177.065 175.510 -0.127 0.000 1.030 253 N CA 1.453 54.432 53.050 -0.119 0.000 0.849 253 N CB -0.459 37.949 38.487 -0.131 0.000 1.012 253 N HN 0.283 nan 8.380 nan 0.000 0.423 254 Y N 0.622 120.907 120.300 -0.025 0.000 2.544 254 Y HA 0.149 4.699 4.550 -0.001 0.000 0.286 254 Y C 0.414 176.326 175.900 0.020 0.000 1.141 254 Y CA 0.108 58.211 58.100 0.005 0.000 1.299 254 Y CB 0.017 38.490 38.460 0.023 0.000 1.030 254 Y HN -0.083 nan 8.280 nan 0.000 0.543 255 K N 1.223 121.712 120.400 0.147 0.000 3.150 255 K HA -0.251 4.069 4.320 -0.001 0.000 0.267 255 K C -0.855 175.823 176.600 0.130 0.000 1.028 255 K CA 0.562 56.917 56.287 0.113 0.000 0.753 255 K CB -1.772 30.774 32.500 0.076 0.000 1.288 255 K HN 0.489 nan 8.250 nan 0.000 0.473 256 Q N -0.998 118.883 119.800 0.136 0.000 2.418 256 Q HA 0.709 5.049 4.340 -0.001 0.000 0.282 256 Q C 0.246 176.186 176.000 -0.099 0.000 1.044 256 Q CA -0.569 55.298 55.803 0.106 0.000 0.813 256 Q CB 2.787 31.667 28.738 0.236 0.000 1.428 256 Q HN 0.310 nan 8.270 nan 0.000 0.402 257 G N 0.038 108.538 108.800 -0.500 0.000 2.255 257 G HA2 0.379 4.339 3.960 -0.001 0.000 0.216 257 G HA3 0.379 4.339 3.960 -0.001 0.000 0.216 257 G C -0.164 174.296 174.900 -0.733 0.000 1.307 257 G CA -0.041 44.484 45.100 -0.958 0.000 1.162 257 G HN 1.458 nan 8.290 nan 0.000 0.494 258 G N -1.166 107.326 108.800 -0.513 0.000 2.781 258 G HA2 0.423 4.382 3.960 -0.001 0.000 0.683 258 G HA3 0.423 4.382 3.960 -0.001 0.000 0.683 258 G C -0.081 174.626 174.900 -0.322 0.000 1.390 258 G CA 0.248 45.128 45.100 -0.366 0.000 0.850 258 G HN 2.339 nan 8.290 nan 0.000 0.557 259 I N -2.303 118.155 120.570 -0.187 0.000 2.530 259 I HA 0.980 5.149 4.170 -0.001 0.000 0.297 259 I C -0.065 176.073 176.117 0.035 0.000 1.011 259 I CA -1.345 59.937 61.300 -0.030 0.000 1.107 259 I CB 2.204 40.246 38.000 0.070 0.000 1.285 259 I HN 0.758 nan 8.210 nan 0.000 0.436 260 R N 3.353 123.918 120.500 0.109 0.000 2.668 260 R HA 0.435 4.774 4.340 -0.001 0.000 0.272 260 R C -0.957 175.441 176.300 0.163 0.000 1.019 260 R CA -0.973 55.201 56.100 0.123 0.000 0.894 260 R CB 1.452 31.820 30.300 0.114 0.000 1.228 260 R HN 0.813 nan 8.270 nan 0.000 0.460 261 N N 1.612 120.395 118.700 0.138 0.000 2.708 261 N HA -0.170 4.570 4.740 -0.001 0.000 0.255 261 N C -0.903 174.740 175.510 0.222 0.000 1.046 261 N CA 0.887 54.035 53.050 0.164 0.000 0.715 261 N CB -0.749 37.873 38.487 0.225 0.000 0.895 261 N HN 0.373 nan 8.380 nan 0.000 0.545 262 I N 0.647 121.277 120.570 0.100 0.000 2.392 262 I HA 0.460 4.630 4.170 -0.001 0.000 0.295 262 I C 0.556 176.644 176.117 -0.048 0.000 0.985 262 I CA -0.323 61.078 61.300 0.168 0.000 1.221 262 I CB 0.704 38.843 38.000 0.231 0.000 1.366 262 I HN -0.067 nan 8.210 nan 0.000 0.467 263 F N 3.516 123.527 119.950 0.101 0.000 2.551 263 F HA 0.768 5.294 4.527 -0.001 0.000 0.316 263 F C 0.199 176.000 175.800 0.002 0.000 1.089 263 F CA -0.625 57.392 58.000 0.028 0.000 0.915 263 F CB 2.185 41.093 39.000 -0.154 0.000 1.186 263 F HN 0.513 nan 8.300 nan 0.000 0.456 264 A N 2.020 124.987 122.820 0.245 0.000 2.520 264 A HA 0.677 4.996 4.320 -0.001 0.000 0.298 264 A C -2.066 175.638 177.584 0.199 0.000 1.051 264 A CA -0.561 51.592 52.037 0.193 0.000 0.690 264 A CB 1.915 21.011 19.000 0.161 0.000 1.281 264 A HN 0.697 nan 8.150 nan 0.000 0.402 265 D N 0.659 121.153 120.400 0.157 0.000 2.947 265 D HA 0.477 5.117 4.640 -0.001 0.000 0.224 265 D C -0.434 175.918 176.300 0.087 0.000 1.230 265 D CA 0.170 54.259 54.000 0.148 0.000 0.871 265 D CB 1.036 41.953 40.800 0.195 0.000 1.671 265 D HN 0.673 nan 8.370 nan 0.000 0.507 266 N N 2.944 121.684 118.700 0.066 0.000 2.610 266 N HA -0.134 4.606 4.740 -0.001 0.000 0.271 266 N C -1.472 174.044 175.510 0.010 0.000 1.146 266 N CA 0.471 53.540 53.050 0.031 0.000 0.711 266 N CB -0.721 37.783 38.487 0.028 0.000 0.883 266 N HN 0.403 nan 8.380 nan 0.000 0.548 267 I N 1.375 121.943 120.570 -0.004 0.000 2.378 267 I HA 0.429 4.598 4.170 -0.001 0.000 0.291 267 I C 0.814 176.886 176.117 -0.075 0.000 0.992 267 I CA -0.365 60.914 61.300 -0.034 0.000 1.154 267 I CB 1.537 39.512 38.000 -0.041 0.000 1.315 267 I HN 0.342 nan 8.210 nan 0.000 0.448 268 R N 4.134 124.560 120.500 -0.124 0.000 2.807 268 R HA 0.737 5.077 4.340 -0.001 0.000 0.276 268 R C -1.566 174.583 176.300 -0.252 0.000 0.979 268 R CA -0.360 55.588 56.100 -0.254 0.000 0.928 268 R CB 2.339 32.356 30.300 -0.472 0.000 1.191 268 R HN 0.783 nan 8.270 nan 0.000 0.471 269 c N 1.807 120.268 118.600 -0.231 0.000 2.712 269 c HA 0.850 5.419 4.570 -0.001 0.000 0.308 269 c C -1.249 172.802 174.090 -0.066 0.000 1.201 269 c CA -0.229 56.047 56.329 -0.088 0.000 1.554 269 c CB 1.528 44.008 42.510 -0.051 0.000 2.117 269 c HN 0.863 nan 8.230 nan 0.000 0.480 270 S N 3.283 119.021 115.700 0.063 0.000 2.572 270 S HA 0.568 5.037 4.470 -0.001 0.000 0.274 270 S C -0.820 173.800 174.600 0.033 0.000 1.150 270 S CA -0.629 57.613 58.200 0.070 0.000 0.944 270 S CB 1.128 64.449 63.200 0.202 0.000 1.071 270 S HN 1.040 nan 8.310 nan 0.000 0.479 271 K N 0.887 121.281 120.400 -0.009 0.000 3.077 271 K HA -0.174 4.145 4.320 -0.001 0.000 0.264 271 K C 0.558 177.143 176.600 -0.024 0.000 1.008 271 K CA 0.973 57.244 56.287 -0.026 0.000 0.740 271 K CB -1.981 30.503 32.500 -0.027 0.000 1.273 271 K HN 1.083 nan 8.250 nan 0.000 0.477 272 G N -0.730 108.060 108.800 -0.017 0.000 3.058 272 G HA2 0.544 4.503 3.960 -0.001 0.000 0.282 272 G HA3 0.544 4.503 3.960 -0.001 0.000 0.282 272 G C 0.516 175.413 174.900 -0.005 0.000 1.248 272 G CA -0.868 44.226 45.100 -0.010 0.000 0.822 272 G HN 0.029 nan 8.290 nan 0.000 0.579 273 L N -0.040 121.183 121.223 0.000 0.000 2.084 273 L HA 0.470 4.810 4.340 -0.001 0.000 0.202 273 L C 1.284 178.146 176.870 -0.013 0.000 1.074 273 L CA 1.498 56.339 54.840 0.000 0.000 0.757 273 L CB -0.235 41.829 42.059 0.008 0.000 0.918 273 L HN 0.687 nan 8.230 nan 0.000 0.444 274 A N -2.255 120.549 122.820 -0.027 0.000 2.586 274 A HA 0.657 4.977 4.320 -0.001 0.000 0.291 274 A C -0.009 177.541 177.584 -0.057 0.000 1.062 274 A CA 0.040 52.053 52.037 -0.039 0.000 0.666 274 A CB 0.571 19.544 19.000 -0.046 0.000 1.281 274 A HN 0.020 nan 8.150 nan 0.000 0.421 275 A N -0.224 122.557 122.820 -0.065 0.000 1.903 275 A HA 0.504 4.824 4.320 -0.001 0.000 0.213 275 A C 0.561 178.073 177.584 -0.120 0.000 1.185 275 A CA 1.625 53.613 52.037 -0.082 0.000 0.628 275 A CB -0.180 18.774 19.000 -0.076 0.000 0.830 275 A HN 1.373 nan 8.150 nan 0.000 0.446 276 V N 1.056 120.890 119.914 -0.134 0.000 2.531 276 V HA 0.539 4.659 4.120 -0.001 0.000 0.301 276 V C -0.628 175.305 176.094 -0.268 0.000 1.034 276 V CA -0.339 61.822 62.300 -0.232 0.000 0.865 276 V CB 1.630 33.343 31.823 -0.183 0.000 0.995 276 V HN 0.564 nan 8.190 nan 0.000 0.424 277 M N 5.901 125.251 119.600 -0.417 0.000 2.326 277 M HA 0.611 5.091 4.480 -0.001 0.000 0.292 277 M C -2.389 173.598 176.300 -0.522 0.000 1.081 277 M CA -0.329 54.774 55.300 -0.330 0.000 0.919 277 M CB 1.955 34.458 32.600 -0.162 0.000 1.634 277 M HN 0.505 nan 8.290 nan 0.000 0.451 278 F N 2.183 122.074 119.950 -0.100 0.000 2.444 278 F HA 0.717 5.244 4.527 -0.001 0.000 0.342 278 F C 0.880 176.755 175.800 0.125 0.000 1.121 278 F CA -0.471 57.456 58.000 -0.122 0.000 0.997 278 F CB 2.236 41.050 39.000 -0.309 0.000 1.130 278 F HN 0.699 nan 8.300 nan 0.000 0.454 279 G N 4.197 113.236 108.800 0.397 0.000 2.919 279 G HA2 0.251 4.210 3.960 -0.001 0.000 0.303 279 G HA3 0.251 4.210 3.960 -0.001 0.000 0.303 279 G C -2.346 172.784 174.900 0.384 0.000 1.611 279 G CA -0.936 44.398 45.100 0.389 0.000 0.876 279 G HN 0.354 nan 8.290 nan 0.000 0.481 280 P HA -0.157 nan 4.420 nan 0.000 0.226 280 P C 1.051 178.242 177.300 -0.182 0.000 1.153 280 P CA 0.881 63.930 63.100 -0.084 0.000 0.777 280 P CB 0.398 31.909 31.700 -0.314 0.000 0.794 281 H N -0.483 118.381 119.070 -0.342 0.000 1.452 281 H HA -0.261 4.295 4.556 -0.001 0.000 0.090 281 H C 1.173 176.120 175.328 -0.636 0.000 0.620 281 H CA 1.999 57.618 56.048 -0.714 0.000 1.901 281 H CB -2.107 27.239 29.762 -0.692 0.000 2.257 281 H HN 0.289 nan 8.280 nan 0.000 0.961 282 F N 0.589 120.430 119.950 -0.182 0.000 2.749 282 F HA 0.409 4.936 4.527 -0.001 0.000 0.300 282 F C 0.887 176.624 175.800 -0.106 0.000 1.103 282 F CA -0.180 57.732 58.000 -0.146 0.000 1.342 282 F CB 0.230 39.180 39.000 -0.084 0.000 1.098 282 F HN 0.081 nan 8.300 nan 0.000 0.586 283 M N 2.547 121.893 119.600 -0.423 0.000 2.249 283 M HA 0.275 4.755 4.480 -0.001 0.000 0.351 283 M C -0.211 175.927 176.300 -0.270 0.000 1.180 283 M CA -0.571 54.569 55.300 -0.267 0.000 1.127 283 M CB 1.002 33.350 32.600 -0.420 0.000 1.546 283 M HN 0.116 nan 8.290 nan 0.000 0.461 284 K N 4.527 124.818 120.400 -0.181 0.000 2.266 284 K HA 0.266 4.586 4.320 -0.001 0.000 0.274 284 K C -0.985 175.457 176.600 -0.263 0.000 1.090 284 K CA -0.327 55.843 56.287 -0.195 0.000 0.925 284 K CB 0.129 32.581 32.500 -0.079 0.000 1.225 284 K HN 0.771 nan 8.250 nan 0.000 0.458 285 N N 1.758 120.191 118.700 -0.445 0.000 2.478 285 N HA 0.284 5.024 4.740 -0.001 0.000 0.275 285 N C 0.240 175.614 175.510 -0.226 0.000 1.221 285 N CA -0.434 52.344 53.050 -0.454 0.000 0.979 285 N CB 1.592 39.477 38.487 -1.003 0.000 1.202 285 N HN 0.674 nan 8.380 nan 0.000 0.564 286 G N -0.525 108.228 108.800 -0.079 0.000 2.945 286 G HA2 0.190 4.149 3.960 -0.001 0.000 0.156 286 G HA3 0.190 4.149 3.960 -0.001 0.000 0.156 286 G C -0.667 174.306 174.900 0.122 0.000 1.375 286 G CA -0.219 44.900 45.100 0.031 0.000 1.039 286 G HN 0.420 nan 8.290 nan 0.000 0.586 287 D N -0.199 120.261 120.400 0.100 0.000 2.264 287 D HA 0.502 5.141 4.640 -0.001 0.000 0.249 287 D C -0.305 176.030 176.300 0.058 0.000 1.070 287 D CA 0.150 54.197 54.000 0.079 0.000 0.912 287 D CB 1.986 42.808 40.800 0.037 0.000 1.193 287 D HN 0.061 nan 8.370 nan 0.000 0.427 288 V N 1.280 121.209 119.914 0.026 0.000 2.808 288 V HA 0.329 4.448 4.120 -0.001 0.000 0.308 288 V C -0.532 175.529 176.094 -0.055 0.000 1.099 288 V CA -0.902 61.396 62.300 -0.003 0.000 0.920 288 V CB 2.134 34.066 31.823 0.182 0.000 1.014 288 V HN 0.456 nan 8.190 nan 0.000 0.425 289 Q N 2.750 122.463 119.800 -0.144 0.000 2.337 289 Q HA 0.807 5.147 4.340 -0.001 0.000 0.270 289 Q C -2.118 173.969 176.000 0.145 0.000 1.043 289 Q CA -0.465 55.346 55.803 0.014 0.000 0.794 289 Q CB 2.428 31.164 28.738 -0.002 0.000 1.281 289 Q HN 0.609 nan 8.270 nan 0.000 0.446 290 V N 2.862 122.914 119.914 0.229 0.000 2.588 290 V HA 0.611 4.730 4.120 -0.001 0.000 0.304 290 V C -0.385 175.888 176.094 0.298 0.000 1.042 290 V CA -0.591 61.847 62.300 0.230 0.000 0.877 290 V CB 1.900 33.826 31.823 0.172 0.000 0.996 290 V HN 0.956 nan 8.190 nan 0.000 0.425 291 T N 0.267 114.977 114.554 0.260 0.000 2.893 291 T HA 0.607 4.956 4.350 -0.001 0.000 0.291 291 T C -0.349 174.446 174.700 0.158 0.000 1.028 291 T CA -0.751 61.496 62.100 0.245 0.000 0.995 291 T CB 1.174 70.162 68.868 0.200 0.000 1.051 291 T HN 0.784 nan 8.240 nan 0.000 0.470 292 N N -0.164 118.618 118.700 0.136 0.000 2.621 292 N HA -0.079 4.660 4.740 -0.001 0.000 0.269 292 N C -0.924 174.620 175.510 0.057 0.000 1.154 292 N CA 0.054 53.154 53.050 0.084 0.000 0.696 292 N CB -0.958 37.568 38.487 0.064 0.000 0.878 292 N HN 0.601 nan 8.380 nan 0.000 0.550 293 V N 0.880 120.825 119.914 0.051 0.000 2.435 293 V HA 0.766 4.885 4.120 -0.001 0.000 0.290 293 V C 0.373 176.468 176.094 0.001 0.000 1.030 293 V CA -0.332 61.979 62.300 0.018 0.000 0.881 293 V CB 1.807 33.644 31.823 0.023 0.000 0.983 293 V HN 0.534 nan 8.190 nan 0.000 0.445 294 S N 2.843 118.524 115.700 -0.031 0.000 2.588 294 S HA 0.938 5.408 4.470 -0.001 0.000 0.275 294 S C -0.648 173.913 174.600 -0.066 0.000 1.130 294 S CA -0.468 57.710 58.200 -0.036 0.000 0.855 294 S CB 2.267 65.443 63.200 -0.040 0.000 1.116 294 S HN 1.169 nan 8.310 nan 0.000 0.472 295 S N -0.101 115.576 115.700 -0.038 0.000 2.579 295 S HA 0.805 5.275 4.470 -0.001 0.000 0.272 295 S C -1.557 173.031 174.600 -0.020 0.000 1.141 295 S CA -0.807 57.367 58.200 -0.044 0.000 0.843 295 S CB 1.374 64.565 63.200 -0.016 0.000 1.122 295 S HN 1.189 nan 8.310 nan 0.000 0.468 296 V N 1.903 121.795 119.914 -0.036 0.000 2.524 296 V HA 0.711 4.831 4.120 -0.001 0.000 0.297 296 V C 0.394 176.447 176.094 -0.068 0.000 1.035 296 V CA 0.101 62.378 62.300 -0.037 0.000 0.867 296 V CB 0.771 32.579 31.823 -0.025 0.000 1.004 296 V HN 1.597 nan 8.190 nan 0.000 0.426 297 S N 2.560 118.180 115.700 -0.133 0.000 3.783 297 S HA -0.169 4.300 4.470 -0.001 0.000 0.360 297 S C -0.000 174.525 174.600 -0.124 0.000 1.006 297 S CA 0.791 58.867 58.200 -0.206 0.000 1.115 297 S CB -1.114 61.975 63.200 -0.185 0.000 0.893 297 S HN 0.897 nan 8.310 nan 0.000 0.475 298 c N -0.089 118.466 118.600 -0.075 0.000 2.630 298 c HA 0.764 5.334 4.570 -0.001 0.000 0.346 298 c C 2.342 176.428 174.090 -0.008 0.000 1.245 298 c CA -0.262 56.047 56.329 -0.033 0.000 1.804 298 c CB 0.892 43.391 42.510 -0.018 0.000 2.279 298 c HN 0.751 nan 8.230 nan 0.000 0.498 299 G N 0.938 109.740 108.800 0.003 0.000 2.476 299 G HA2 0.096 4.056 3.960 -0.001 0.000 0.218 299 G HA3 0.096 4.056 3.960 -0.001 0.000 0.218 299 G C 0.420 175.343 174.900 0.039 0.000 1.164 299 G CA 1.685 46.795 45.100 0.017 0.000 0.768 299 G HN 1.129 nan 8.290 nan 0.000 0.560 300 S N -3.170 112.545 115.700 0.024 0.000 2.611 300 S HA 0.659 5.128 4.470 -0.001 0.000 0.268 300 S C 0.537 175.143 174.600 0.010 0.000 1.156 300 S CA 0.299 58.517 58.200 0.029 0.000 0.817 300 S CB 1.258 64.448 63.200 -0.016 0.000 1.122 300 S HN 0.785 nan 8.310 nan 0.000 0.466 301 A N 0.553 123.378 122.820 0.008 0.000 1.898 301 A HA 0.532 4.851 4.320 -0.001 0.000 0.214 301 A C 0.638 178.208 177.584 -0.023 0.000 1.183 301 A CA 1.186 53.218 52.037 -0.007 0.000 0.622 301 A CB -0.443 18.556 19.000 -0.001 0.000 0.824 301 A HN 1.063 nan 8.150 nan 0.000 0.444 302 V N -0.378 119.523 119.914 -0.021 0.000 2.656 302 V HA 0.573 4.692 4.120 -0.001 0.000 0.307 302 V C -0.277 175.809 176.094 -0.013 0.000 1.051 302 V CA -0.801 61.493 62.300 -0.010 0.000 0.893 302 V CB 1.727 33.556 31.823 0.011 0.000 0.999 302 V HN 0.509 nan 8.190 nan 0.000 0.426 303 R N 2.164 122.669 120.500 0.008 0.000 2.574 303 R HA 0.708 5.047 4.340 -0.001 0.000 0.288 303 R C -1.401 174.952 176.300 0.088 0.000 1.004 303 R CA -0.195 55.912 56.100 0.011 0.000 0.895 303 R CB 2.111 32.405 30.300 -0.010 0.000 1.191 303 R HN 0.742 nan 8.270 nan 0.000 0.444 304 S N 2.727 118.470 115.700 0.071 0.000 2.647 304 S HA 0.338 4.807 4.470 -0.001 0.000 0.300 304 S C -1.457 173.196 174.600 0.089 0.000 1.129 304 S CA -0.865 57.416 58.200 0.135 0.000 1.029 304 S CB 1.633 64.839 63.200 0.010 0.000 1.007 304 S HN 0.532 nan 8.310 nan 0.000 0.484 305 D N 1.539 122.058 120.400 0.198 0.000 2.217 305 D HA 0.390 5.029 4.640 -0.001 0.000 0.248 305 D C 0.153 176.613 176.300 0.267 0.000 1.008 305 D CA -0.249 53.858 54.000 0.178 0.000 0.914 305 D CB 1.583 42.498 40.800 0.191 0.000 1.182 305 D HN 0.397 nan 8.370 nan 0.000 0.451 306 S N -0.123 115.694 115.700 0.195 0.000 2.585 306 S HA 0.489 4.958 4.470 -0.001 0.000 0.273 306 S C 0.599 175.412 174.600 0.355 0.000 1.339 306 S CA -0.532 57.818 58.200 0.250 0.000 1.028 306 S CB 0.476 63.766 63.200 0.149 0.000 0.906 306 S HN 0.417 nan 8.310 nan 0.000 0.528 307 G N 1.784 110.793 108.800 0.350 0.000 2.599 307 G HA2 0.574 4.534 3.960 -0.001 0.000 0.264 307 G HA3 0.574 4.534 3.960 -0.001 0.000 0.264 307 G C -0.763 174.280 174.900 0.237 0.000 1.200 307 G CA -0.421 44.794 45.100 0.191 0.000 0.896 307 G HN 0.969 nan 8.290 nan 0.000 0.536 308 F N -2.292 117.672 119.950 0.024 0.000 2.770 308 F HA 0.609 5.135 4.527 -0.001 0.000 0.313 308 F C -1.290 174.543 175.800 0.055 0.000 1.154 308 F CA -1.529 56.476 58.000 0.008 0.000 0.923 308 F CB 1.149 40.142 39.000 -0.012 0.000 1.301 308 F HN 0.447 nan 8.300 nan 0.000 0.449 309 V N 1.400 121.458 119.914 0.240 0.000 2.459 309 V HA 0.519 4.639 4.120 -0.001 0.000 0.295 309 V C -0.735 175.503 176.094 0.240 0.000 1.029 309 V CA -0.482 61.908 62.300 0.149 0.000 0.874 309 V CB 1.512 33.346 31.823 0.018 0.000 0.985 309 V HN 0.824 nan 8.190 nan 0.000 0.438 310 E N 3.775 124.110 120.200 0.225 0.000 2.234 310 E HA 0.622 4.972 4.350 -0.001 0.000 0.266 310 E C -1.571 175.044 176.600 0.025 0.000 0.877 310 E CA -0.637 55.855 56.400 0.154 0.000 0.758 310 E CB 2.052 31.924 29.700 0.287 0.000 1.170 310 E HN 0.544 nan 8.360 nan 0.000 0.415 311 L N 4.092 125.262 121.223 -0.088 0.000 2.322 311 L HA 0.510 4.849 4.340 -0.001 0.000 0.281 311 L C -0.843 176.099 176.870 0.120 0.000 1.014 311 L CA -0.777 54.077 54.840 0.022 0.000 0.815 311 L CB 0.774 42.750 42.059 -0.139 0.000 1.247 311 L HN 0.447 nan 8.230 nan 0.000 0.421 312 F N 0.250 120.331 119.950 0.218 0.000 2.422 312 F HA 0.380 4.907 4.527 -0.001 0.000 0.333 312 F C 0.845 176.473 175.800 -0.286 0.000 1.095 312 F CA -0.419 57.588 58.000 0.011 0.000 1.038 312 F CB 1.748 40.717 39.000 -0.053 0.000 1.156 312 F HN 0.358 nan 8.300 nan 0.000 0.483 313 S N 2.518 117.760 115.700 -0.763 0.000 2.585 313 S HA 0.276 4.746 4.470 -0.001 0.000 0.273 313 S C -2.428 171.876 174.600 -0.494 0.000 1.339 313 S CA -0.952 56.465 58.200 -1.306 0.000 1.028 313 S CB 0.244 62.633 63.200 -1.352 0.000 0.906 313 S HN 0.282 nan 8.310 nan 0.000 0.528 314 P HA 0.096 nan 4.420 nan 0.000 0.267 314 P C 1.155 178.412 177.300 -0.071 0.000 1.205 314 P CA -0.146 62.893 63.100 -0.101 0.000 0.765 314 P CB 0.398 32.101 31.700 0.005 0.000 0.828 315 T N 0.196 114.723 114.554 -0.046 0.000 2.580 315 T HA -0.283 4.067 4.350 -0.001 0.000 0.265 315 T C 1.246 175.944 174.700 -0.003 0.000 1.063 315 T CA 1.879 63.959 62.100 -0.033 0.000 1.170 315 T CB -1.098 67.752 68.868 -0.031 0.000 0.863 315 T HN 0.467 nan 8.240 nan 0.000 0.418 316 D N 1.658 122.063 120.400 0.009 0.000 2.403 316 D HA -0.011 4.629 4.640 -0.001 0.000 0.227 316 D C 0.580 176.908 176.300 0.045 0.000 0.995 316 D CA 0.335 54.348 54.000 0.021 0.000 0.928 316 D CB -0.609 40.202 40.800 0.019 0.000 0.887 316 D HN 0.666 nan 8.370 nan 0.000 0.529 317 E N -0.410 119.838 120.200 0.079 0.000 2.242 317 E HA 0.397 4.746 4.350 -0.001 0.000 0.275 317 E C -0.792 175.909 176.600 0.168 0.000 1.002 317 E CA -0.936 55.550 56.400 0.144 0.000 0.841 317 E CB 2.389 32.262 29.700 0.288 0.000 1.109 317 E HN -0.121 nan 8.360 nan 0.000 0.394 318 V N 4.537 124.487 119.914 0.059 0.000 2.348 318 V HA 0.199 4.319 4.120 -0.001 0.000 0.270 318 V C -0.136 175.904 176.094 -0.090 0.000 1.037 318 V CA -0.228 62.089 62.300 0.028 0.000 0.872 318 V CB 0.172 31.986 31.823 -0.015 0.000 1.002 318 V HN 0.584 nan 8.190 nan 0.000 0.464 319 H N 2.093 121.227 119.070 0.106 0.000 2.894 319 H HA 0.586 5.141 4.556 -0.001 0.000 0.368 319 H C -0.376 175.015 175.328 0.104 0.000 1.181 319 H CA -0.501 55.605 56.048 0.095 0.000 1.146 319 H CB 2.780 32.586 29.762 0.074 0.000 1.839 319 H HN 0.532 nan 8.280 nan 0.000 0.557 320 T N -0.075 114.509 114.554 0.049 0.000 2.804 320 T HA 0.218 4.568 4.350 -0.001 0.000 0.272 320 T C 1.435 175.721 174.700 -0.689 0.000 0.986 320 T CA -0.682 61.341 62.100 -0.129 0.000 0.999 320 T CB 2.307 71.137 68.868 -0.064 0.000 1.307 320 T HN 0.503 nan 8.240 nan 0.000 0.586 321 R N -0.074 119.975 120.500 -0.752 0.000 2.055 321 R HA 0.015 4.355 4.340 -0.001 0.000 0.226 321 R C 2.271 178.313 176.300 -0.431 0.000 1.135 321 R CA 0.984 56.494 56.100 -0.983 0.000 0.959 321 R CB -0.126 29.819 30.300 -0.591 0.000 0.854 321 R HN 0.399 nan 8.270 nan 0.000 0.431 322 Q N 0.263 119.921 119.800 -0.237 0.000 2.124 322 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 322 Q C 2.046 177.996 176.000 -0.083 0.000 0.977 322 Q CA 1.747 57.475 55.803 -0.125 0.000 0.850 322 Q CB -0.201 28.490 28.738 -0.077 0.000 0.901 322 Q HN 0.281 nan 8.270 nan 0.000 0.429 323 S N -0.050 115.615 115.700 -0.059 0.000 2.354 323 S HA -0.166 4.303 4.470 -0.001 0.000 0.219 323 S C 1.560 176.269 174.600 0.183 0.000 1.035 323 S CA 1.312 59.549 58.200 0.061 0.000 1.037 323 S CB -0.627 62.630 63.200 0.095 0.000 0.956 323 S HN 0.677 nan 8.310 nan 0.000 0.428 324 W N 2.037 123.294 121.300 -0.072 0.000 2.338 324 W HA -0.185 4.474 4.660 -0.001 0.000 0.304 324 W C 2.344 178.799 176.519 -0.106 0.000 1.212 324 W CA 1.730 59.009 57.345 -0.110 0.000 1.264 324 W CB -0.297 29.016 29.460 -0.245 0.000 1.142 324 W HN 0.395 nan 8.180 nan 0.000 0.512 325 K N 0.544 120.850 120.400 -0.158 0.000 2.063 325 K HA -0.275 4.045 4.320 -0.001 0.000 0.208 325 K C 2.111 178.578 176.600 -0.223 0.000 1.048 325 K CA 1.987 58.126 56.287 -0.247 0.000 0.928 325 K CB -0.451 31.961 32.500 -0.148 0.000 0.713 325 K HN 0.254 nan 8.250 nan 0.000 0.442 326 Q N -0.460 119.264 119.800 -0.126 0.000 2.119 326 Q HA -0.105 4.235 4.340 -0.001 0.000 0.201 326 Q C 2.057 177.996 176.000 -0.102 0.000 0.972 326 Q CA 1.340 57.090 55.803 -0.089 0.000 0.847 326 Q CB -0.076 28.640 28.738 -0.036 0.000 0.903 326 Q HN 0.436 nan 8.270 nan 0.000 0.433 327 A N 0.072 122.829 122.820 -0.105 0.000 1.933 327 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 327 A C 2.247 179.677 177.584 -0.257 0.000 1.175 327 A CA 1.221 53.200 52.037 -0.096 0.000 0.628 327 A CB -0.501 18.542 19.000 0.072 0.000 0.814 327 A HN 0.210 nan 8.150 nan 0.000 0.444 328 V N 0.059 119.677 119.914 -0.494 0.000 2.283 328 V HA -0.236 3.883 4.120 -0.001 0.000 0.243 328 V C 2.365 178.331 176.094 -0.213 0.000 1.039 328 V CA 2.119 64.146 62.300 -0.454 0.000 1.016 328 V CB -0.894 30.552 31.823 -0.628 0.000 0.650 328 V HN 0.616 nan 8.190 nan 0.000 0.449 329 E N 1.029 121.117 120.200 -0.187 0.000 2.160 329 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 329 E C 2.129 178.690 176.600 -0.066 0.000 0.991 329 E CA 1.620 57.956 56.400 -0.106 0.000 0.810 329 E CB -0.269 29.375 29.700 -0.093 0.000 0.742 329 E HN 0.736 nan 8.360 nan 0.000 0.466 330 S N 0.226 115.887 115.700 -0.065 0.000 2.653 330 S HA -0.047 4.423 4.470 -0.001 0.000 0.233 330 S C 1.494 176.083 174.600 -0.019 0.000 0.970 330 S CA 0.761 58.941 58.200 -0.033 0.000 0.947 330 S CB 0.138 63.325 63.200 -0.022 0.000 0.771 330 S HN 0.112 nan 8.310 nan 0.000 0.538 331 K N -0.223 120.167 120.400 -0.017 0.000 2.544 331 K HA 0.412 4.732 4.320 -0.001 0.000 0.213 331 K C 1.209 177.827 176.600 0.030 0.000 1.392 331 K CA 0.069 56.362 56.287 0.011 0.000 0.980 331 K CB 0.322 32.846 32.500 0.038 0.000 1.177 331 K HN 0.312 nan 8.250 nan 0.000 0.570 332 L N -0.395 120.838 121.223 0.016 0.000 2.467 332 L HA 0.401 4.741 4.340 -0.001 0.000 0.213 332 L C 0.621 177.492 176.870 0.001 0.000 1.053 332 L CA 0.309 55.162 54.840 0.021 0.000 0.847 332 L CB 1.181 43.245 42.059 0.008 0.000 1.075 332 L HN 0.261 nan 8.230 nan 0.000 0.479 333 G N 0.473 109.263 108.800 -0.016 0.000 2.335 333 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.592 333 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.592 333 G C -1.149 173.734 174.900 -0.028 0.000 1.442 333 G CA -1.038 44.053 45.100 -0.016 0.000 0.976 333 G HN -0.027 nan 8.290 nan 0.000 0.652 334 R N -0.061 120.425 120.500 -0.024 0.000 2.537 334 R HA 0.433 4.772 4.340 -0.001 0.000 0.280 334 R C 1.505 177.789 176.300 -0.026 0.000 1.058 334 R CA 1.232 57.316 56.100 -0.028 0.000 1.057 334 R CB 0.688 30.975 30.300 -0.021 0.000 0.973 334 R HN 2.245 nan 8.270 nan 0.000 0.438 335 G N 1.563 110.343 108.800 -0.033 0.000 2.148 335 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 335 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 335 G C 0.598 175.479 174.900 -0.032 0.000 0.981 335 G CA 0.143 45.226 45.100 -0.030 0.000 0.670 335 G HN 0.684 nan 8.290 nan 0.000 0.528 336 c N 0.819 119.394 118.600 -0.043 0.000 2.791 336 c HA 0.716 5.285 4.570 -0.001 0.000 0.270 336 c C 1.607 175.655 174.090 -0.070 0.000 1.257 336 c CA 0.545 56.847 56.329 -0.046 0.000 1.699 336 c CB -1.000 41.486 42.510 -0.040 0.000 1.904 336 c HN 1.052 nan 8.230 nan 0.000 0.603 337 A N 0.478 123.248 122.820 -0.084 0.000 2.355 337 A HA 0.671 4.991 4.320 -0.001 0.000 0.317 337 A C -0.515 177.024 177.584 -0.075 0.000 1.094 337 A CA -0.218 51.753 52.037 -0.109 0.000 0.764 337 A CB 0.808 19.703 19.000 -0.175 0.000 1.230 337 A HN 0.299 nan 8.150 nan 0.000 0.448 338 Q N 0.379 120.145 119.800 -0.056 0.000 2.249 338 Q HA 0.323 4.663 4.340 -0.001 0.000 0.226 338 Q C -0.138 175.858 176.000 -0.007 0.000 0.983 338 Q CA -0.036 55.753 55.803 -0.023 0.000 0.930 338 Q CB 0.678 29.412 28.738 -0.006 0.000 1.193 338 Q HN 0.733 nan 8.270 nan 0.000 0.508 339 T N 3.849 118.415 114.554 0.020 0.000 2.765 339 T HA 0.140 4.490 4.350 -0.001 0.000 0.284 339 T C -2.120 172.647 174.700 0.112 0.000 0.946 339 T CA -0.734 61.390 62.100 0.041 0.000 1.185 339 T CB -0.217 68.684 68.868 0.056 0.000 0.887 339 T HN 0.244 nan 8.240 nan 0.000 0.532 340 P HA 0.193 nan 4.420 nan 0.000 0.269 340 P C -0.808 176.710 177.300 0.363 0.000 1.217 340 P CA -0.233 62.968 63.100 0.168 0.000 0.783 340 P CB 0.301 32.037 31.700 0.059 0.000 0.898 341 Y N -0.589 119.951 120.300 0.400 0.000 2.669 341 Y HA 0.811 5.360 4.550 -0.001 0.000 0.335 341 Y C -0.289 175.834 175.900 0.372 0.000 1.116 341 Y CA -1.810 56.540 58.100 0.415 0.000 1.081 341 Y CB 0.287 38.867 38.460 0.200 0.000 1.297 341 Y HN 0.475 nan 8.280 nan 0.000 0.484 351 A N 0.831 123.569 122.820 -0.136 0.000 2.540 351 A HA 0.935 5.255 4.320 -0.001 0.000 0.297 351 A C -1.716 175.793 177.584 -0.126 0.000 1.056 351 A CA -0.175 51.629 52.037 -0.388 0.000 0.700 351 A CB 1.094 19.458 19.000 -1.061 0.000 1.280 351 A HN 1.447 nan 8.150 nan 0.000 0.398 352 A N 1.493 124.338 122.820 0.042 0.000 2.414 352 A HA 0.840 5.160 4.320 -0.001 0.000 0.306 352 A C -0.292 177.276 177.584 -0.027 0.000 1.054 352 A CA -0.629 51.413 52.037 0.008 0.000 0.724 352 A CB 1.166 20.097 19.000 -0.115 0.000 1.267 352 A HN 0.971 nan 8.150 nan 0.000 0.418 353 R N 1.974 122.490 120.500 0.027 0.000 2.265 353 R HA 0.532 4.872 4.340 -0.001 0.000 0.319 353 R C -0.903 175.390 176.300 -0.012 0.000 1.006 353 R CA -0.387 55.737 56.100 0.041 0.000 0.880 353 R CB 0.931 31.247 30.300 0.028 0.000 1.077 353 R HN 0.528 nan 8.270 nan 0.000 0.454 354 V N 4.196 124.105 119.914 -0.008 0.000 2.585 354 V HA 0.007 4.127 4.120 -0.001 0.000 0.296 354 V C 0.482 176.564 176.094 -0.020 0.000 1.035 354 V CA 0.089 62.365 62.300 -0.040 0.000 1.084 354 V CB 1.234 33.026 31.823 -0.052 0.000 0.953 354 V HN 0.852 nan 8.190 nan 0.000 0.483 355 T N 4.377 118.913 114.554 -0.030 0.000 2.934 355 T HA -0.005 4.345 4.350 -0.001 0.000 0.306 355 T C 0.512 175.209 174.700 -0.005 0.000 1.042 355 T CA 0.126 62.215 62.100 -0.018 0.000 1.145 355 T CB 0.272 69.128 68.868 -0.020 0.000 0.982 355 T HN 0.733 nan 8.240 nan 0.000 0.544 356 Q N 3.339 123.142 119.800 0.004 0.000 2.780 356 Q HA 0.135 4.475 4.340 -0.001 0.000 0.234 356 Q C -0.724 175.296 176.000 0.033 0.000 1.355 356 Q CA 0.627 56.444 55.803 0.022 0.000 0.919 356 Q CB -0.516 28.239 28.738 0.029 0.000 1.645 356 Q HN 0.463 nan 8.270 nan 0.000 0.568 357 K N 2.299 122.721 120.400 0.037 0.000 2.553 357 K HA 0.174 4.494 4.320 -0.001 0.000 0.250 357 K C -0.536 176.114 176.600 0.083 0.000 0.953 357 K CA -0.748 55.570 56.287 0.052 0.000 0.800 357 K CB 1.529 34.048 32.500 0.031 0.000 1.243 357 K HN 0.117 nan 8.250 nan 0.000 0.435 358 D N 1.662 122.140 120.400 0.130 0.000 2.190 358 D HA -0.214 4.426 4.640 -0.001 0.000 0.200 358 D C 1.675 178.069 176.300 0.158 0.000 0.992 358 D CA 1.696 55.821 54.000 0.208 0.000 0.854 358 D CB 0.082 40.984 40.800 0.170 0.000 0.936 358 D HN 0.667 nan 8.370 nan 0.000 0.462 359 A N 0.015 122.890 122.820 0.092 0.000 1.877 359 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 359 A C 2.465 180.086 177.584 0.061 0.000 1.186 359 A CA 1.379 53.457 52.037 0.068 0.000 0.620 359 A CB -0.943 18.083 19.000 0.043 0.000 0.822 359 A HN 0.387 nan 8.150 nan 0.000 0.443 360 c N -0.788 117.838 118.600 0.043 0.000 2.440 360 c HA -0.001 4.569 4.570 -0.001 0.000 0.278 360 c C 2.643 176.742 174.090 0.015 0.000 1.295 360 c CA 0.937 57.278 56.329 0.020 0.000 1.738 360 c CB -1.497 41.013 42.510 0.000 0.000 1.987 360 c HN 0.608 nan 8.230 nan 0.000 0.492 361 L N 0.515 121.743 121.223 0.009 0.000 2.109 361 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 361 L C 2.273 179.158 176.870 0.025 0.000 1.086 361 L CA 1.284 56.079 54.840 -0.074 0.000 0.760 361 L CB -0.707 41.178 42.059 -0.291 0.000 0.910 361 L HN 0.303 nan 8.230 nan 0.000 0.437 362 D N 0.201 120.688 120.400 0.145 0.000 2.144 362 D HA -0.198 4.441 4.640 -0.001 0.000 0.199 362 D C 2.104 178.470 176.300 0.110 0.000 0.984 362 D CA 1.134 55.238 54.000 0.173 0.000 0.834 362 D CB 0.032 40.923 40.800 0.152 0.000 0.955 362 D HN 0.063 nan 8.370 nan 0.000 0.465 363 K N 1.128 121.578 120.400 0.083 0.000 2.148 363 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 363 K C 1.777 178.441 176.600 0.108 0.000 1.050 363 K CA 1.105 57.438 56.287 0.077 0.000 0.942 363 K CB -0.373 32.162 32.500 0.058 0.000 0.724 363 K HN 0.007 nan 8.250 nan 0.000 0.446 364 A N 0.622 123.503 122.820 0.102 0.000 1.969 364 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 364 A C 2.087 179.784 177.584 0.189 0.000 1.169 364 A CA 1.681 53.812 52.037 0.157 0.000 0.635 364 A CB -0.436 18.578 19.000 0.022 0.000 0.810 364 A HN 0.366 nan 8.150 nan 0.000 0.445 365 K N -0.542 119.930 120.400 0.121 0.000 2.031 365 K HA -0.025 4.295 4.320 -0.001 0.000 0.205 365 K C 1.817 178.483 176.600 0.110 0.000 1.049 365 K CA 0.962 57.321 56.287 0.120 0.000 0.939 365 K CB -0.214 32.362 32.500 0.127 0.000 0.717 365 K HN 0.306 nan 8.250 nan 0.000 0.438 366 L N 1.473 122.752 121.223 0.092 0.000 2.079 366 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 366 L C 2.200 179.087 176.870 0.028 0.000 1.081 366 L CA 1.785 56.659 54.840 0.057 0.000 0.752 366 L CB -0.801 41.287 42.059 0.048 0.000 0.896 366 L HN 0.345 nan 8.230 nan 0.000 0.433 367 E N -1.517 118.706 120.200 0.038 0.000 2.140 367 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 367 E C 1.802 178.267 176.600 -0.225 0.000 0.973 367 E CA 0.941 57.279 56.400 -0.103 0.000 0.829 367 E CB -0.008 29.616 29.700 -0.127 0.000 0.781 367 E HN 0.502 nan 8.360 nan 0.000 0.466 368 Y N -0.379 119.934 120.300 0.021 0.000 2.444 368 Y HA 0.325 4.874 4.550 -0.001 0.000 0.249 368 Y C 1.305 177.219 175.900 0.022 0.000 1.134 368 Y CA 0.264 58.379 58.100 0.025 0.000 1.261 368 Y CB 0.856 39.336 38.460 0.033 0.000 1.143 368 Y HN 0.087 nan 8.280 nan 0.000 0.523 369 G N 1.586 110.474 108.800 0.148 0.000 2.246 369 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.273 369 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.273 369 G C -0.250 174.714 174.900 0.106 0.000 1.055 369 G CA 0.366 45.527 45.100 0.101 0.000 0.851 369 G HN 0.366 nan 8.290 nan 0.000 0.500 370 I N -0.185 120.457 120.570 0.121 0.000 2.769 370 I HA 0.644 4.814 4.170 -0.001 0.000 0.298 370 I C -0.175 175.977 176.117 0.059 0.000 1.128 370 I CA -0.959 60.394 61.300 0.088 0.000 1.031 370 I CB 2.016 40.065 38.000 0.081 0.000 1.235 370 I HN 0.479 nan 8.210 nan 0.000 0.423 371 E N 5.619 125.847 120.200 0.045 0.000 2.445 371 E HA 0.548 4.897 4.350 -0.001 0.000 0.279 371 E C -2.882 173.700 176.600 -0.031 0.000 1.018 371 E CA -2.216 54.167 56.400 -0.028 0.000 0.816 371 E CB 1.610 31.347 29.700 0.062 0.000 1.356 371 E HN 0.084 nan 8.360 nan 0.000 0.462 372 P HA 0.116 nan 4.420 nan 0.000 0.266 372 P C -0.022 177.287 177.300 0.017 0.000 1.195 372 P CA 0.287 63.361 63.100 -0.043 0.000 0.768 372 P CB 0.639 32.312 31.700 -0.045 0.000 0.838 373 G N 1.525 110.297 108.800 -0.047 0.000 2.621 373 G HA2 0.527 4.487 3.960 -0.001 0.000 0.271 373 G HA3 0.527 4.487 3.960 -0.001 0.000 0.271 373 G C -0.476 174.350 174.900 -0.123 0.000 1.236 373 G CA -0.064 44.968 45.100 -0.113 0.000 0.958 373 G HN 0.670 nan 8.290 nan 0.000 0.512 374 S N -2.079 113.444 115.700 -0.295 0.000 2.683 374 S HA 0.692 5.162 4.470 -0.001 0.000 0.269 374 S C -1.479 172.736 174.600 -0.642 0.000 1.165 374 S CA -0.925 57.012 58.200 -0.438 0.000 0.840 374 S CB 1.096 64.237 63.200 -0.099 0.000 1.169 374 S HN 0.466 nan 8.310 nan 0.000 0.490 375 F N -0.163 119.418 119.950 -0.615 0.000 2.611 375 F HA 0.805 5.331 4.527 -0.001 0.000 0.324 375 F C 1.269 176.991 175.800 -0.130 0.000 1.061 375 F CA 0.070 57.874 58.000 -0.327 0.000 0.954 375 F CB 1.958 40.749 39.000 -0.348 0.000 1.301 375 F HN 0.974 nan 8.300 nan 0.000 0.482 376 G N -0.242 108.633 108.800 0.126 0.000 3.287 376 G HA2 0.194 4.154 3.960 -0.001 0.000 0.172 376 G HA3 0.194 4.154 3.960 -0.001 0.000 0.172 376 G C -0.521 174.431 174.900 0.088 0.000 1.922 376 G CA -0.146 45.006 45.100 0.087 0.000 0.952 376 G HN 0.448 nan 8.290 nan 0.000 0.520 377 T N 0.814 115.406 114.554 0.063 0.000 2.729 377 T HA 0.486 4.835 4.350 -0.001 0.000 0.296 377 T C -0.608 174.099 174.700 0.010 0.000 0.928 377 T CA 0.000 62.124 62.100 0.040 0.000 1.045 377 T CB 1.182 70.078 68.868 0.045 0.000 0.902 377 T HN 0.159 nan 8.240 nan 0.000 0.500 378 V N 5.400 125.288 119.914 -0.043 0.000 2.483 378 V HA 0.500 4.620 4.120 -0.001 0.000 0.297 378 V C -0.192 175.833 176.094 -0.116 0.000 1.027 378 V CA -0.876 61.342 62.300 -0.136 0.000 0.855 378 V CB 1.782 33.365 31.823 -0.400 0.000 0.995 378 V HN 0.740 nan 8.190 nan 0.000 0.424 379 K N 3.593 123.957 120.400 -0.060 0.000 2.427 379 K HA 0.793 5.113 4.320 -0.001 0.000 0.252 379 K C -1.623 174.917 176.600 -0.101 0.000 0.931 379 K CA -0.765 55.469 56.287 -0.087 0.000 0.793 379 K CB 2.930 35.379 32.500 -0.085 0.000 1.211 379 K HN 0.400 nan 8.250 nan 0.000 0.426 380 V N 3.944 123.757 119.914 -0.168 0.000 2.443 380 V HA 0.448 4.567 4.120 -0.001 0.000 0.293 380 V C -1.131 174.923 176.094 -0.068 0.000 1.021 380 V CA -0.841 61.440 62.300 -0.032 0.000 0.848 380 V CB 0.501 32.342 31.823 0.030 0.000 0.998 380 V HN 0.562 nan 8.190 nan 0.000 0.424 381 F N 2.584 122.636 119.950 0.171 0.000 2.443 381 F HA 0.590 5.116 4.527 -0.001 0.000 0.335 381 F C 0.401 176.261 175.800 0.100 0.000 1.104 381 F CA -0.789 57.300 58.000 0.148 0.000 1.013 381 F CB 1.246 40.272 39.000 0.044 0.000 1.136 381 F HN 0.545 nan 8.300 nan 0.000 0.470 382 D N 1.735 122.297 120.400 0.270 0.000 4.465 382 D HA -0.110 4.529 4.640 -0.001 0.000 0.244 382 D C -1.214 175.149 176.300 0.105 0.000 1.062 382 D CA 0.265 54.360 54.000 0.158 0.000 1.227 382 D CB -0.709 40.172 40.800 0.134 0.000 0.829 382 D HN 0.200 nan 8.370 nan 0.000 0.402 383 V N 2.185 122.142 119.914 0.072 0.000 2.448 383 V HA 0.605 4.725 4.120 -0.001 0.000 0.295 383 V C 0.549 176.657 176.094 0.024 0.000 1.025 383 V CA -0.233 62.089 62.300 0.038 0.000 0.859 383 V CB 2.378 34.210 31.823 0.015 0.000 0.988 383 V HN 0.425 nan 8.190 nan 0.000 0.431 384 T N 4.054 118.621 114.554 0.022 0.000 2.890 384 T HA 0.705 5.055 4.350 -0.001 0.000 0.295 384 T C -0.294 174.432 174.700 0.042 0.000 0.993 384 T CA -0.322 61.795 62.100 0.028 0.000 0.979 384 T CB 1.537 70.423 68.868 0.030 0.000 0.967 384 T HN 0.903 nan 8.240 nan 0.000 0.441 385 A N 3.501 126.366 122.820 0.074 0.000 2.304 385 A HA 0.769 5.088 4.320 -0.001 0.000 0.314 385 A C -0.097 177.661 177.584 0.289 0.000 1.187 385 A CA -0.825 51.305 52.037 0.156 0.000 0.810 385 A CB 0.888 19.992 19.000 0.173 0.000 1.183 385 A HN 0.760 nan 8.150 nan 0.000 0.487 386 R N 2.820 123.443 120.500 0.205 0.000 2.294 386 R HA 0.467 4.807 4.340 -0.001 0.000 0.319 386 R C -1.019 175.313 176.300 0.053 0.000 0.984 386 R CA -0.546 55.655 56.100 0.168 0.000 0.861 386 R CB 0.642 30.984 30.300 0.069 0.000 1.104 386 R HN 0.657 nan 8.270 nan 0.000 0.451 387 F N 2.697 122.474 119.950 -0.289 0.000 2.496 387 F HA 0.427 4.954 4.527 -0.000 0.000 0.344 387 F C 0.387 175.916 175.800 -0.451 0.000 1.155 387 F CA 1.414 58.986 58.000 -0.713 0.000 1.302 387 F CB 0.997 39.372 39.000 -1.042 0.000 1.159 387 F HN 0.642 nan 8.300 nan 0.000 0.595 388 G N 3.481 111.414 108.800 -1.446 0.000 2.623 388 G HA2 0.302 4.261 3.960 -0.001 0.000 0.290 388 G HA3 0.302 4.261 3.960 -0.001 0.000 0.290 388 G C -1.651 172.523 174.900 -1.209 0.000 1.437 388 G CA -0.636 43.851 45.100 -1.021 0.000 0.798 388 G HN 0.539 nan 8.290 nan 0.000 0.488 389 Y N -0.155 119.884 120.300 -0.434 0.000 2.485 389 Y HA 0.325 4.875 4.550 -0.001 0.000 0.260 389 Y C 1.427 177.231 175.900 -0.160 0.000 1.173 389 Y CA -0.487 57.446 58.100 -0.278 0.000 1.252 389 Y CB 0.764 39.140 38.460 -0.140 0.000 1.123 389 Y HN 0.304 nan 8.280 nan 0.000 0.524 390 N N 0.998 119.667 118.700 -0.052 0.000 2.660 390 N HA 0.382 5.122 4.740 -0.001 0.000 0.316 390 N C -0.472 175.017 175.510 -0.036 0.000 1.774 390 N CA 0.050 53.091 53.050 -0.015 0.000 0.946 390 N CB 0.773 39.258 38.487 -0.003 0.000 1.322 390 N HN 0.078 nan 8.380 nan 0.000 0.492 391 A N 0.212 123.007 122.820 -0.042 0.000 2.293 391 A HA 0.396 4.715 4.320 -0.001 0.000 0.302 391 A C -0.050 177.541 177.584 0.012 0.000 1.119 391 A CA -0.481 51.540 52.037 -0.028 0.000 0.823 391 A CB 0.931 19.907 19.000 -0.041 0.000 1.097 391 A HN 0.095 nan 8.150 nan 0.000 0.491 392 D N 0.703 121.107 120.400 0.007 0.000 2.350 392 D HA 0.512 5.152 4.640 -0.001 0.000 0.249 392 D C -0.430 175.885 176.300 0.025 0.000 1.119 392 D CA 0.701 54.709 54.000 0.012 0.000 0.886 392 D CB 0.934 41.745 40.800 0.018 0.000 1.195 392 D HN 0.374 nan 8.370 nan 0.000 0.437 393 L N 1.804 123.050 121.223 0.038 0.000 2.371 393 L HA 0.421 4.760 4.340 -0.001 0.000 0.262 393 L C 0.150 177.048 176.870 0.046 0.000 1.006 393 L CA -1.084 53.786 54.840 0.050 0.000 0.818 393 L CB 1.985 44.101 42.059 0.096 0.000 1.354 393 L HN -0.029 nan 8.230 nan 0.000 0.415 394 K N 0.886 121.293 120.400 0.012 0.000 2.123 394 K HA 0.243 4.562 4.320 -0.001 0.000 0.248 394 K C 0.285 176.843 176.600 -0.069 0.000 0.969 394 K CA -0.540 55.754 56.287 0.011 0.000 0.882 394 K CB 1.727 34.227 32.500 -0.000 0.000 1.080 394 K HN 0.568 nan 8.250 nan 0.000 0.441 395 Q N 1.102 120.861 119.800 -0.068 0.000 2.226 395 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 395 Q C 0.580 176.365 176.000 -0.358 0.000 0.975 395 Q CA 1.714 57.291 55.803 -0.377 0.000 0.866 395 Q CB 0.267 28.880 28.738 -0.208 0.000 0.915 395 Q HN 0.570 nan 8.270 nan 0.000 0.440 396 D N -0.943 119.366 120.400 -0.151 0.000 2.324 396 D HA -0.113 4.526 4.640 -0.001 0.000 0.235 396 D C 0.659 176.917 176.300 -0.070 0.000 1.095 396 D CA 0.344 54.291 54.000 -0.089 0.000 0.871 396 D CB 0.169 40.951 40.800 -0.030 0.000 0.906 396 D HN 0.415 nan 8.370 nan 0.000 0.522 397 Q N -0.347 119.394 119.800 -0.098 0.000 2.214 397 Q HA 0.272 4.612 4.340 -0.001 0.000 0.229 397 Q C 2.029 177.937 176.000 -0.153 0.000 0.835 397 Q CA -0.185 55.614 55.803 -0.006 0.000 0.953 397 Q CB 0.772 29.507 28.738 -0.005 0.000 1.131 397 Q HN 0.201 nan 8.270 nan 0.000 0.501 398 L N 0.936 122.037 121.223 -0.204 0.000 2.275 398 L HA -0.141 4.198 4.340 -0.001 0.000 0.215 398 L C 0.949 177.821 176.870 0.002 0.000 1.119 398 L CA 0.754 55.547 54.840 -0.078 0.000 0.790 398 L CB -0.127 41.807 42.059 -0.209 0.000 0.919 398 L HN 0.165 nan 8.230 nan 0.000 0.443 399 D N -1.066 119.229 120.400 -0.176 0.000 2.355 399 D HA -0.091 4.548 4.640 -0.001 0.000 0.218 399 D C 1.159 177.296 176.300 -0.273 0.000 1.004 399 D CA 0.742 54.625 54.000 -0.194 0.000 0.880 399 D CB 0.093 40.720 40.800 -0.288 0.000 0.911 399 D HN 0.318 nan 8.370 nan 0.000 0.528 400 Y N -0.796 119.422 120.300 -0.138 0.000 2.470 400 Y HA 0.112 4.661 4.550 -0.001 0.000 0.302 400 Y C 1.013 176.884 175.900 -0.048 0.000 1.194 400 Y CA -0.161 57.889 58.100 -0.082 0.000 1.271 400 Y CB -0.445 37.891 38.460 -0.206 0.000 1.092 400 Y HN -0.101 nan 8.280 nan 0.000 0.513 401 F N -1.551 118.515 119.950 0.193 0.000 2.746 401 F HA -0.003 4.524 4.527 -0.001 0.000 0.297 401 F C 2.379 178.231 175.800 0.088 0.000 1.113 401 F CA 0.243 58.325 58.000 0.136 0.000 1.367 401 F CB -0.523 38.530 39.000 0.088 0.000 1.111 401 F HN 0.040 nan 8.300 nan 0.000 0.590 402 S N -0.305 115.533 115.700 0.229 0.000 2.387 402 S HA -0.269 4.200 4.470 -0.001 0.000 0.230 402 S C 2.124 176.787 174.600 0.104 0.000 1.035 402 S CA 2.077 60.360 58.200 0.138 0.000 1.014 402 S CB -1.355 61.898 63.200 0.089 0.000 0.836 402 S HN 0.485 nan 8.310 nan 0.000 0.466 403 T N -0.145 114.463 114.554 0.090 0.000 2.896 403 T HA 0.044 4.393 4.350 -0.001 0.000 0.263 403 T C 2.080 176.779 174.700 -0.002 0.000 1.050 403 T CA 1.272 63.377 62.100 0.009 0.000 1.140 403 T CB -0.652 68.157 68.868 -0.098 0.000 0.877 403 T HN 0.681 nan 8.240 nan 0.000 0.457 404 S N 0.466 116.183 115.700 0.029 0.000 2.514 404 S HA 0.254 4.723 4.470 -0.001 0.000 0.223 404 S C 0.812 175.463 174.600 0.085 0.000 1.046 404 S CA -0.151 58.074 58.200 0.041 0.000 0.914 404 S CB -0.287 62.937 63.200 0.041 0.000 0.807 404 S HN 0.449 nan 8.310 nan 0.000 0.497 405 N N 1.920 120.709 118.700 0.149 0.000 2.711 405 N HA 0.389 5.129 4.740 -0.001 0.000 0.263 405 N C -2.324 173.241 175.510 0.092 0.000 1.667 405 N CA -1.746 51.366 53.050 0.103 0.000 0.785 405 N CB 1.555 40.095 38.487 0.089 0.000 1.231 405 N HN 0.028 nan 8.380 nan 0.000 0.503 406 P HA -0.103 nan 4.420 nan 0.000 0.225 406 P C 0.702 178.018 177.300 0.027 0.000 1.148 406 P CA 0.982 64.118 63.100 0.061 0.000 0.779 406 P CB 0.237 31.963 31.700 0.043 0.000 0.780 407 M N -1.191 118.411 119.600 0.003 0.000 2.530 407 M HA 0.112 4.592 4.480 -0.001 0.000 0.231 407 M C 0.324 176.593 176.300 -0.052 0.000 1.180 407 M CA -0.289 55.001 55.300 -0.017 0.000 0.985 407 M CB -0.809 31.781 32.600 -0.016 0.000 1.623 407 M HN -0.132 nan 8.290 nan 0.000 0.475 408 c N 3.758 122.305 118.600 -0.089 0.000 2.656 408 c HA -0.189 4.381 4.570 -0.001 0.000 0.226 408 c C 0.251 174.232 174.090 -0.181 0.000 1.302 408 c CA 0.884 57.090 56.329 -0.204 0.000 2.531 408 c CB -1.687 40.747 42.510 -0.127 0.000 1.576 408 c HN 0.449 nan 8.230 nan 0.000 0.379 409 K N 3.892 124.184 120.400 -0.180 0.000 2.185 409 K HA 0.610 4.930 4.320 -0.001 0.000 0.269 409 K C 0.790 177.315 176.600 -0.125 0.000 0.987 409 K CA -0.683 55.531 56.287 -0.121 0.000 0.865 409 K CB 0.830 33.284 32.500 -0.076 0.000 1.090 409 K HN 0.459 nan 8.250 nan 0.000 0.450 410 R N -0.938 119.492 120.500 -0.117 0.000 3.643 410 R HA -0.104 4.235 4.340 -0.001 0.000 0.466 410 R C -0.722 175.548 176.300 -0.050 0.000 0.985 410 R CA 0.252 56.289 56.100 -0.106 0.000 1.148 410 R CB -2.565 27.660 30.300 -0.125 0.000 1.841 410 R HN 0.425 nan 8.270 nan 0.000 0.510 411 V N 1.886 121.762 119.914 -0.064 0.000 2.509 411 V HA 0.516 4.635 4.120 -0.001 0.000 0.284 411 V C 1.176 177.289 176.094 0.032 0.000 1.047 411 V CA -0.249 62.042 62.300 -0.015 0.000 0.952 411 V CB 1.824 33.614 31.823 -0.056 0.000 0.988 411 V HN 0.418 nan 8.190 nan 0.000 0.469 412 c N 5.010 123.656 118.600 0.076 0.000 2.797 412 c HA 0.862 5.431 4.570 -0.001 0.000 0.306 412 c C -0.838 173.302 174.090 0.085 0.000 1.207 412 c CA -1.081 55.291 56.329 0.072 0.000 1.507 412 c CB 1.021 43.563 42.510 0.054 0.000 2.028 412 c HN 0.807 nan 8.230 nan 0.000 0.475 413 L N 3.393 124.638 121.223 0.036 0.000 2.287 413 L HA 0.704 5.044 4.340 -0.001 0.000 0.287 413 L C -2.532 174.273 176.870 -0.108 0.000 1.022 413 L CA -2.218 52.579 54.840 -0.072 0.000 0.814 413 L CB 0.895 42.924 42.059 -0.049 0.000 1.217 413 L HN 0.575 nan 8.230 nan 0.000 0.420 414 P HA 0.102 nan 4.420 nan 0.000 0.266 414 P C -0.703 176.438 177.300 -0.266 0.000 1.195 414 P CA -0.020 62.900 63.100 -0.301 0.000 0.768 414 P CB 0.269 31.661 31.700 -0.514 0.000 0.838 415 T N 0.175 114.563 114.554 -0.278 0.000 2.860 415 T HA 0.156 4.506 4.350 -0.001 0.000 0.299 415 T C 1.140 175.726 174.700 -0.190 0.000 1.045 415 T CA -0.433 61.556 62.100 -0.185 0.000 1.071 415 T CB 0.581 69.361 68.868 -0.148 0.000 0.985 415 T HN 0.104 nan 8.240 nan 0.000 0.537 416 K N 0.955 121.282 120.400 -0.121 0.000 2.218 416 K HA -0.108 4.211 4.320 -0.001 0.000 0.205 416 K C 2.148 178.678 176.600 -0.116 0.000 1.046 416 K CA 1.648 57.870 56.287 -0.108 0.000 0.933 416 K CB -0.334 32.116 32.500 -0.083 0.000 0.728 416 K HN 0.792 nan 8.250 nan 0.000 0.454 417 E N 0.320 120.452 120.200 -0.114 0.000 2.268 417 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 417 E C 1.831 178.368 176.600 -0.105 0.000 0.995 417 E CA 0.881 57.228 56.400 -0.088 0.000 0.836 417 E CB 0.011 29.671 29.700 -0.068 0.000 0.763 417 E HN 0.444 nan 8.360 nan 0.000 0.491 418 Q N -0.920 118.732 119.800 -0.247 0.000 2.204 418 Q HA 0.020 4.359 4.340 -0.001 0.000 0.198 418 Q C 0.435 176.375 176.000 -0.100 0.000 0.946 418 Q CA 0.447 55.974 55.803 -0.459 0.000 0.859 418 Q CB 0.664 28.585 28.738 -1.362 0.000 0.946 418 Q HN 0.250 nan 8.270 nan 0.000 0.474 419 W N 1.243 122.352 121.300 -0.317 0.000 2.916 419 W HA 0.114 4.774 4.660 -0.001 0.000 0.317 419 W C 0.261 176.732 176.519 -0.079 0.000 1.047 419 W CA -0.211 57.076 57.345 -0.095 0.000 1.234 419 W CB 1.162 30.593 29.460 -0.048 0.000 1.143 419 W HN 0.089 nan 8.180 nan 0.000 0.372 420 S N 2.534 118.001 115.700 -0.389 0.000 2.462 420 S HA -0.190 4.279 4.470 -0.001 0.000 0.243 420 S C 0.549 174.995 174.600 -0.257 0.000 1.003 420 S CA 1.103 59.125 58.200 -0.296 0.000 0.970 420 S CB -0.050 62.974 63.200 -0.293 0.000 0.762 420 S HN 0.481 nan 8.310 nan 0.000 0.510 421 K N 2.180 122.368 120.400 -0.353 0.000 2.457 421 K HA 0.237 4.557 4.320 -0.001 0.000 0.226 421 K C -0.466 176.237 176.600 0.172 0.000 1.114 421 K CA -0.139 56.113 56.287 -0.059 0.000 1.089 421 K CB 0.528 33.031 32.500 0.004 0.000 1.739 421 K HN 0.479 nan 8.250 nan 0.000 0.473 422 Q N 0.081 119.928 119.800 0.080 0.000 2.263 422 Q HA 0.000 4.340 4.340 -0.001 0.000 0.289 422 Q C 1.002 177.089 176.000 0.144 0.000 1.061 422 Q CA 1.041 56.889 55.803 0.075 0.000 0.927 422 Q CB 0.665 29.432 28.738 0.047 0.000 1.154 422 Q HN 0.893 nan 8.270 nan 0.000 0.378 423 G N 1.993 110.794 108.800 0.000 0.000 2.352 423 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.204 423 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.204 423 G C 0.790 175.695 174.900 0.009 0.000 1.004 423 G CA -0.014 45.128 45.100 0.070 0.000 0.648 423 G HN 0.593 nan 8.290 nan 0.000 0.491 424 Q N -0.542 119.268 119.800 0.017 0.000 2.297 424 Q HA 0.296 4.636 4.340 -0.001 0.000 0.204 424 Q C 0.618 176.404 176.000 -0.358 0.000 0.962 424 Q CA 1.279 57.076 55.803 -0.011 0.000 0.879 424 Q CB 0.433 29.322 28.738 0.250 0.000 0.947 424 Q HN 0.610 nan 8.270 nan 0.000 0.462 425 I N -1.134 119.092 120.570 -0.572 0.000 2.827 425 I HA 0.319 4.489 4.170 -0.001 0.000 0.298 425 I C -1.833 173.963 176.117 -0.535 0.000 1.235 425 I CA -1.051 59.837 61.300 -0.687 0.000 1.021 425 I CB 1.625 38.812 38.000 -1.355 0.000 1.259 425 I HN -0.171 nan 8.210 nan 0.000 0.427 426 Y N 5.700 125.879 120.300 -0.201 0.000 2.581 426 Y HA 0.696 5.246 4.550 -0.000 0.000 0.345 426 Y C -0.674 175.203 175.900 -0.038 0.000 1.036 426 Y CA -0.786 57.259 58.100 -0.093 0.000 1.042 426 Y CB 1.985 40.392 38.460 -0.090 0.000 1.289 426 Y HN 0.306 nan 8.280 nan 0.000 0.471 427 I N 1.530 122.201 120.570 0.168 0.000 2.465 427 I HA 0.806 4.976 4.170 -0.001 0.000 0.291 427 I C 0.165 176.352 176.117 0.116 0.000 1.014 427 I CA -0.279 61.093 61.300 0.120 0.000 1.093 427 I CB 1.732 39.801 38.000 0.114 0.000 1.267 427 I HN 0.793 nan 8.210 nan 0.000 0.431 428 G N 5.918 114.779 108.800 0.102 0.000 2.427 428 G HA2 0.424 4.384 3.960 -0.001 0.000 0.306 428 G HA3 0.424 4.384 3.960 -0.001 0.000 0.306 428 G C -3.308 171.645 174.900 0.088 0.000 1.280 428 G CA -0.828 44.330 45.100 0.097 0.000 0.837 428 G HN 0.232 nan 8.290 nan 0.000 0.482 429 P HA 0.272 nan 4.420 nan 0.000 0.268 429 P C 0.186 177.526 177.300 0.066 0.000 1.208 429 P CA 0.067 63.166 63.100 -0.002 0.000 0.777 429 P CB 0.692 32.548 31.700 0.261 0.000 0.875 430 S N 1.300 116.827 115.700 -0.288 0.000 2.576 430 S HA 0.088 4.557 4.470 -0.001 0.000 0.272 430 S C 1.397 176.154 174.600 0.262 0.000 1.352 430 S CA -0.127 58.037 58.200 -0.061 0.000 1.021 430 S CB -0.031 63.026 63.200 -0.238 0.000 0.887 430 S HN 0.367 nan 8.310 nan 0.000 0.542 431 L N 0.673 122.041 121.223 0.243 0.000 2.467 431 L HA 0.460 4.800 4.340 -0.001 0.000 0.213 431 L C 0.787 177.833 176.870 0.294 0.000 1.053 431 L CA 0.363 55.325 54.840 0.203 0.000 0.847 431 L CB -0.052 41.994 42.059 -0.023 0.000 1.075 431 L HN 0.756 nan 8.230 nan 0.000 0.479 432 A N -1.513 121.467 122.820 0.267 0.000 2.438 432 A HA 0.679 4.998 4.320 -0.001 0.000 0.301 432 A C -0.105 177.470 177.584 -0.015 0.000 1.101 432 A CA 0.146 52.211 52.037 0.046 0.000 0.621 432 A CB 0.058 19.020 19.000 -0.062 0.000 1.350 432 A HN -0.095 nan 8.150 nan 0.000 0.496 433 A N -0.912 121.804 122.820 -0.173 0.000 1.911 433 A HA 0.534 4.853 4.320 -0.001 0.000 0.212 433 A C 0.519 178.057 177.584 -0.078 0.000 1.189 433 A CA 1.674 53.640 52.037 -0.118 0.000 0.639 433 A CB -0.219 18.674 19.000 -0.177 0.000 0.839 433 A HN 1.438 nan 8.150 nan 0.000 0.449 434 V N 0.361 120.210 119.914 -0.109 0.000 2.709 434 V HA 0.471 4.590 4.120 -0.001 0.000 0.308 434 V C -1.062 174.951 176.094 -0.136 0.000 1.062 434 V CA -0.380 61.857 62.300 -0.106 0.000 0.901 434 V CB 1.841 33.593 31.823 -0.119 0.000 1.003 434 V HN 0.341 nan 8.190 nan 0.000 0.425 435 I N 3.481 123.978 120.570 -0.123 0.000 2.436 435 I HA 0.515 4.684 4.170 -0.001 0.000 0.289 435 I C -1.322 174.716 176.117 -0.130 0.000 1.010 435 I CA -0.234 60.972 61.300 -0.157 0.000 1.098 435 I CB 2.062 39.977 38.000 -0.142 0.000 1.266 435 I HN 0.569 nan 8.210 nan 0.000 0.434 436 D N 4.643 124.949 120.400 -0.158 0.000 2.386 436 D HA 0.167 4.806 4.640 -0.001 0.000 0.247 436 D C 0.142 176.354 176.300 -0.146 0.000 1.336 436 D CA -0.276 53.635 54.000 -0.149 0.000 0.976 436 D CB 1.480 42.174 40.800 -0.176 0.000 1.257 436 D HN 0.585 nan 8.370 nan 0.000 0.570 437 T N -0.192 114.296 114.554 -0.111 0.000 3.258 437 T HA 0.199 4.549 4.350 -0.001 0.000 0.263 437 T C 0.743 175.396 174.700 -0.078 0.000 0.983 437 T CA -0.448 61.601 62.100 -0.085 0.000 0.907 437 T CB -0.494 68.345 68.868 -0.048 0.000 1.096 437 T HN 0.314 nan 8.240 nan 0.000 0.556 438 T N 1.118 115.583 114.554 -0.148 0.000 2.918 438 T HA 0.320 4.670 4.350 -0.001 0.000 0.302 438 T C -2.393 172.245 174.700 -0.104 0.000 1.045 438 T CA -1.655 60.339 62.100 -0.177 0.000 1.114 438 T CB 0.701 69.299 68.868 -0.449 0.000 0.965 438 T HN 0.061 nan 8.240 nan 0.000 0.540 439 P HA 0.138 nan 4.420 nan 0.000 0.256 439 P C 0.673 177.963 177.300 -0.017 0.000 1.688 439 P CA -0.115 62.983 63.100 -0.004 0.000 1.162 439 P CB 0.232 31.964 31.700 0.054 0.000 1.870 440 E N 2.598 122.769 120.200 -0.048 0.000 2.147 440 E HA -0.221 4.128 4.350 -0.001 0.000 0.199 440 E C 1.121 177.704 176.600 -0.028 0.000 1.005 440 E CA 2.104 58.472 56.400 -0.053 0.000 0.810 440 E CB 0.011 29.672 29.700 -0.065 0.000 0.736 440 E HN 0.411 nan 8.360 nan 0.000 0.460 441 T N -1.987 112.560 114.554 -0.013 0.000 3.107 441 T HA 0.123 4.473 4.350 -0.001 0.000 0.249 441 T C 0.727 175.434 174.700 0.012 0.000 1.096 441 T CA 0.084 62.182 62.100 -0.004 0.000 1.012 441 T CB 0.534 69.401 68.868 -0.002 0.000 0.977 441 T HN -0.007 nan 8.240 nan 0.000 0.527 442 S N 0.205 115.924 115.700 0.031 0.000 2.616 442 S HA 0.369 4.839 4.470 -0.001 0.000 0.277 442 S C 1.053 175.670 174.600 0.027 0.000 1.234 442 S CA -0.836 57.402 58.200 0.065 0.000 1.028 442 S CB 1.204 64.487 63.200 0.138 0.000 0.988 442 S HN 0.347 nan 8.310 nan 0.000 0.522 443 K N 1.886 122.268 120.400 -0.030 0.000 2.288 443 K HA -0.034 4.286 4.320 -0.001 0.000 0.201 443 K C 0.264 176.709 176.600 -0.259 0.000 1.048 443 K CA 1.228 57.402 56.287 -0.188 0.000 0.956 443 K CB -0.126 32.172 32.500 -0.336 0.000 0.746 443 K HN 0.678 nan 8.250 nan 0.000 0.461 444 Y N 0.872 121.203 120.300 0.052 0.000 2.495 444 Y HA 0.084 4.633 4.550 -0.001 0.000 0.293 444 Y C 0.324 176.287 175.900 0.105 0.000 1.186 444 Y CA -0.867 57.277 58.100 0.075 0.000 1.266 444 Y CB -0.110 38.398 38.460 0.079 0.000 1.101 444 Y HN -0.001 nan 8.280 nan 0.000 0.517 445 D N 0.417 120.916 120.400 0.163 0.000 2.357 445 D HA 0.134 4.773 4.640 -0.001 0.000 0.242 445 D C -0.584 175.821 176.300 0.174 0.000 1.153 445 D CA 0.014 54.087 54.000 0.122 0.000 0.918 445 D CB 0.528 41.342 40.800 0.023 0.000 1.181 445 D HN 0.218 nan 8.370 nan 0.000 0.435 446 Y N -0.896 119.426 120.300 0.036 0.000 2.588 446 Y HA 0.610 5.160 4.550 -0.000 0.000 0.343 446 Y C -1.532 174.350 175.900 -0.030 0.000 1.065 446 Y CA -1.125 56.987 58.100 0.020 0.000 1.038 446 Y CB 1.437 39.937 38.460 0.067 0.000 1.297 446 Y HN 0.117 nan 8.280 nan 0.000 0.467 447 D N 1.389 121.769 120.400 -0.033 0.000 2.433 447 D HA 0.546 5.185 4.640 -0.001 0.000 0.236 447 D C -1.296 174.892 176.300 -0.188 0.000 1.026 447 D CA -0.537 53.347 54.000 -0.194 0.000 0.884 447 D CB 2.904 43.626 40.800 -0.131 0.000 1.384 447 D HN 0.475 nan 8.370 nan 0.000 0.477 448 V N 2.096 121.834 119.914 -0.294 0.000 2.357 448 V HA 0.201 4.320 4.120 -0.001 0.000 0.281 448 V C -0.067 175.860 176.094 -0.278 0.000 1.015 448 V CA -0.773 61.320 62.300 -0.344 0.000 0.827 448 V CB 1.253 32.810 31.823 -0.445 0.000 1.018 448 V HN 0.268 nan 8.190 nan 0.000 0.432 449 K N 2.975 123.227 120.400 -0.247 0.000 2.234 449 K HA 0.585 4.905 4.320 -0.001 0.000 0.282 449 K C 0.286 176.656 176.600 -0.384 0.000 1.039 449 K CA -0.289 55.804 56.287 -0.323 0.000 0.928 449 K CB 1.414 33.766 32.500 -0.247 0.000 1.039 449 K HN 0.769 nan 8.250 nan 0.000 0.470 450 T N -0.401 113.827 114.554 -0.543 0.000 2.885 450 T HA 0.666 5.016 4.350 -0.001 0.000 0.285 450 T C -0.586 173.708 174.700 -0.676 0.000 1.019 450 T CA -0.799 61.052 62.100 -0.415 0.000 1.010 450 T CB 0.513 69.236 68.868 -0.242 0.000 1.022 450 T HN 0.270 nan 8.240 nan 0.000 0.466 451 F N 0.941 120.782 119.950 -0.182 0.000 2.565 451 F HA 0.571 5.097 4.527 -0.001 0.000 0.313 451 F C 0.527 176.326 175.800 -0.001 0.000 1.091 451 F CA -1.033 56.918 58.000 -0.082 0.000 0.915 451 F CB 1.610 40.578 39.000 -0.054 0.000 1.208 451 F HN 0.780 nan 8.300 nan 0.000 0.453 452 N N 1.303 120.107 118.700 0.172 0.000 2.641 452 N HA -0.159 4.581 4.740 -0.001 0.000 0.267 452 N C -1.742 173.806 175.510 0.062 0.000 1.087 452 N CA 0.174 53.291 53.050 0.113 0.000 0.731 452 N CB -0.680 37.896 38.487 0.148 0.000 0.886 452 N HN 0.377 nan 8.380 nan 0.000 0.547 453 V N 2.410 122.330 119.914 0.010 0.000 2.394 453 V HA 0.474 4.594 4.120 -0.001 0.000 0.282 453 V C 0.663 176.738 176.094 -0.032 0.000 1.031 453 V CA -0.261 62.026 62.300 -0.021 0.000 0.881 453 V CB 1.643 33.428 31.823 -0.065 0.000 0.982 453 V HN 0.320 nan 8.190 nan 0.000 0.451 454 K N 4.366 124.750 120.400 -0.026 0.000 2.443 454 K HA 0.776 5.095 4.320 -0.001 0.000 0.251 454 K C -0.956 175.619 176.600 -0.041 0.000 0.972 454 K CA -0.999 55.270 56.287 -0.029 0.000 0.833 454 K CB 2.933 35.434 32.500 0.002 0.000 1.317 454 K HN 0.516 nan 8.250 nan 0.000 0.441 455 R N 1.094 121.565 120.500 -0.049 0.000 2.750 455 R HA 0.579 4.919 4.340 -0.001 0.000 0.281 455 R C -0.842 175.525 176.300 0.112 0.000 0.972 455 R CA -0.778 55.309 56.100 -0.023 0.000 0.912 455 R CB 1.629 31.745 30.300 -0.306 0.000 1.187 455 R HN 0.486 nan 8.270 nan 0.000 0.464 456 I N 2.477 123.203 120.570 0.260 0.000 2.447 456 I HA 0.209 4.379 4.170 -0.001 0.000 0.287 456 I C -0.282 175.983 176.117 0.248 0.000 1.023 456 I CA -0.696 60.725 61.300 0.201 0.000 1.083 456 I CB 1.851 39.929 38.000 0.130 0.000 1.245 456 I HN 0.693 nan 8.210 nan 0.000 0.434 457 N N 3.136 121.929 118.700 0.155 0.000 2.782 457 N HA -0.200 4.540 4.740 -0.001 0.000 0.251 457 N C -0.560 174.914 175.510 -0.061 0.000 1.101 457 N CA 0.917 54.008 53.050 0.067 0.000 0.764 457 N CB -1.215 37.310 38.487 0.063 0.000 1.122 457 N HN 0.376 nan 8.380 nan 0.000 0.561 458 F N 1.866 121.714 119.950 -0.171 0.000 2.418 458 F HA 0.326 4.852 4.527 -0.001 0.000 0.341 458 F C -0.932 174.607 175.800 -0.435 0.000 1.120 458 F CA -1.327 56.425 58.000 -0.414 0.000 1.232 458 F CB 0.164 39.052 39.000 -0.186 0.000 1.175 458 F HN -0.076 nan 8.300 nan 0.000 0.569 459 P HA 0.075 nan 4.420 nan 0.000 0.274 459 P C -0.473 176.763 177.300 -0.107 0.000 1.237 459 P CA -0.289 62.650 63.100 -0.268 0.000 0.793 459 P CB 1.273 32.786 31.700 -0.312 0.000 0.977 460 V N 2.759 122.629 119.914 -0.073 0.000 2.788 460 V HA -0.068 4.051 4.120 -0.001 0.000 0.307 460 V C 0.886 176.951 176.094 -0.048 0.000 1.069 460 V CA 0.681 62.953 62.300 -0.047 0.000 1.173 460 V CB -0.974 30.828 31.823 -0.035 0.000 0.925 460 V HN 0.771 nan 8.190 nan 0.000 0.492 461 N N 2.470 121.138 118.700 -0.054 0.000 2.782 461 N HA -0.150 4.589 4.740 -0.001 0.000 0.251 461 N C 0.213 175.646 175.510 -0.128 0.000 1.101 461 N CA 1.221 54.225 53.050 -0.077 0.000 0.764 461 N CB -1.444 37.009 38.487 -0.058 0.000 1.122 461 N HN 1.054 nan 8.380 nan 0.000 0.561 462 S N -0.545 115.097 115.700 -0.096 0.000 2.681 462 S HA 0.427 4.897 4.470 -0.001 0.000 0.270 462 S C 0.145 174.631 174.600 -0.189 0.000 1.209 462 S CA -0.664 57.477 58.200 -0.099 0.000 0.988 462 S CB 1.546 64.832 63.200 0.143 0.000 1.006 462 S HN 0.188 nan 8.310 nan 0.000 0.558 463 H N 0.389 119.462 119.070 0.006 0.000 2.511 463 H HA 0.345 4.901 4.556 -0.001 0.000 0.346 463 H C 0.760 175.973 175.328 -0.191 0.000 1.128 463 H CA -0.418 55.580 56.048 -0.084 0.000 1.342 463 H CB 1.444 31.148 29.762 -0.098 0.000 1.470 463 H HN 0.793 nan 8.280 nan 0.000 0.546 464 K N 1.249 121.608 120.400 -0.068 0.000 2.172 464 K HA 0.067 4.386 4.320 -0.001 0.000 0.203 464 K C -0.116 176.388 176.600 -0.160 0.000 1.040 464 K CA 0.714 56.888 56.287 -0.188 0.000 0.974 464 K CB 0.619 33.023 32.500 -0.160 0.000 0.857 464 K HN 0.401 nan 8.250 nan 0.000 0.464 465 T N 1.075 115.552 114.554 -0.129 0.000 2.841 465 T HA 0.470 4.820 4.350 -0.001 0.000 0.283 465 T C -0.734 173.836 174.700 -0.216 0.000 1.000 465 T CA -0.590 61.412 62.100 -0.163 0.000 0.977 465 T CB 1.588 70.364 68.868 -0.154 0.000 0.979 465 T HN 0.074 nan 8.240 nan 0.000 0.446 466 I N 4.106 124.499 120.570 -0.296 0.000 2.362 466 I HA 0.401 4.571 4.170 -0.001 0.000 0.289 466 I C -0.348 175.563 176.117 -0.343 0.000 0.994 466 I CA -0.616 60.409 61.300 -0.459 0.000 1.158 466 I CB 1.342 38.913 38.000 -0.714 0.000 1.315 466 I HN 0.733 nan 8.210 nan 0.000 0.451 467 D N 1.807 122.039 120.400 -0.281 0.000 2.758 467 D HA 0.214 4.854 4.640 -0.001 0.000 0.279 467 D C 0.947 177.163 176.300 -0.140 0.000 1.111 467 D CA -0.416 53.469 54.000 -0.192 0.000 1.109 467 D CB 0.441 41.148 40.800 -0.154 0.000 1.428 467 D HN 0.440 nan 8.370 nan 0.000 0.586 468 T N -2.960 111.537 114.554 -0.095 0.000 3.051 468 T HA -0.072 4.277 4.350 -0.001 0.000 0.269 468 T C 0.648 175.328 174.700 -0.033 0.000 1.127 468 T CA 0.749 62.818 62.100 -0.051 0.000 1.107 468 T CB -0.489 68.353 68.868 -0.044 0.000 0.898 468 T HN 0.321 nan 8.240 nan 0.000 0.517 469 N N 0.792 119.464 118.700 -0.048 0.000 2.280 469 N HA 0.086 4.826 4.740 -0.001 0.000 0.192 469 N C -0.053 175.447 175.510 -0.017 0.000 1.109 469 N CA 0.160 53.193 53.050 -0.029 0.000 0.855 469 N CB 0.318 38.783 38.487 -0.037 0.000 0.974 469 N HN 0.395 nan 8.380 nan 0.000 0.482 470 T N 1.547 116.080 114.554 -0.036 0.000 2.888 470 T HA 0.005 4.355 4.350 -0.001 0.000 0.301 470 T C 0.504 175.258 174.700 0.091 0.000 1.001 470 T CA 0.064 62.152 62.100 -0.020 0.000 1.147 470 T CB 1.348 70.096 68.868 -0.200 0.000 0.931 470 T HN 0.164 nan 8.240 nan 0.000 0.541 471 E N 2.147 122.407 120.200 0.100 0.000 2.349 471 E HA 0.438 4.788 4.350 -0.001 0.000 0.265 471 E C -0.251 176.424 176.600 0.126 0.000 1.064 471 E CA -0.557 55.900 56.400 0.094 0.000 0.886 471 E CB 0.574 30.317 29.700 0.072 0.000 1.036 471 E HN 0.751 nan 8.360 nan 0.000 0.413 472 S N 1.457 117.174 115.700 0.030 0.000 2.636 472 S HA 0.623 5.093 4.470 -0.001 0.000 0.268 472 S C -1.307 173.250 174.600 -0.071 0.000 1.159 472 S CA -0.525 57.646 58.200 -0.049 0.000 0.815 472 S CB 1.317 64.313 63.200 -0.340 0.000 1.130 472 S HN 0.741 nan 8.310 nan 0.000 0.471 473 S N -0.001 115.655 115.700 -0.074 0.000 2.556 473 S HA 0.571 5.041 4.470 -0.001 0.000 0.280 473 S C -1.014 173.564 174.600 -0.036 0.000 1.141 473 S CA -1.134 57.035 58.200 -0.052 0.000 0.883 473 S CB 1.056 64.243 63.200 -0.021 0.000 1.103 473 S HN 0.915 nan 8.310 nan 0.000 0.453 474 R N 0.781 121.257 120.500 -0.040 0.000 2.638 474 R HA 0.298 4.638 4.340 -0.001 0.000 0.268 474 R C 0.959 177.263 176.300 0.006 0.000 1.006 474 R CA 0.748 56.838 56.100 -0.017 0.000 1.088 474 R CB 0.367 30.610 30.300 -0.095 0.000 0.950 474 R HN 1.066 nan 8.270 nan 0.000 0.419 475 V N -2.478 117.466 119.914 0.051 0.000 3.289 475 V HA 0.121 4.240 4.120 -0.001 0.000 0.262 475 V C 0.267 176.394 176.094 0.055 0.000 1.707 475 V CA -0.402 61.927 62.300 0.048 0.000 1.024 475 V CB -0.077 31.789 31.823 0.072 0.000 0.871 475 V HN 0.605 nan 8.190 nan 0.000 0.397 476 c N 2.073 120.737 118.600 0.106 0.000 2.362 476 c HA 0.556 5.125 4.570 -0.001 0.000 0.363 476 c C 0.616 174.785 174.090 0.130 0.000 1.220 476 c CA -0.092 56.297 56.329 0.100 0.000 2.379 476 c CB 0.745 43.310 42.510 0.092 0.000 2.351 476 c HN 0.569 nan 8.230 nan 0.000 0.582 477 N N 0.688 119.447 118.700 0.098 0.000 3.083 477 N HA 0.122 4.861 4.740 -0.001 0.000 0.260 477 N C 0.633 176.240 175.510 0.162 0.000 1.163 477 N CA -0.028 53.085 53.050 0.105 0.000 1.060 477 N CB -0.141 38.388 38.487 0.070 0.000 1.345 477 N HN 0.595 nan 8.380 nan 0.000 0.515 478 Y N 1.300 121.511 120.300 -0.148 0.000 2.108 478 Y HA -0.299 4.251 4.550 -0.001 0.000 0.274 478 Y C 0.804 176.475 175.900 -0.382 0.000 1.229 478 Y CA 1.867 59.761 58.100 -0.342 0.000 1.129 478 Y CB -0.375 37.779 38.460 -0.511 0.000 0.946 478 Y HN 0.549 nan 8.280 nan 0.000 0.509 479 Y N -3.040 117.431 120.300 0.286 0.000 2.563 479 Y HA 0.430 4.980 4.550 -0.001 0.000 0.250 479 Y C 1.651 177.620 175.900 0.114 0.000 1.126 479 Y CA -0.084 58.126 58.100 0.183 0.000 1.231 479 Y CB 0.455 39.001 38.460 0.144 0.000 1.288 479 Y HN -0.061 nan 8.280 nan 0.000 0.537 480 G N 1.159 110.087 108.800 0.213 0.000 4.644 480 G HA2 0.445 4.404 3.960 -0.001 0.000 0.307 480 G HA3 0.445 4.404 3.960 -0.001 0.000 0.307 480 G C 0.131 175.088 174.900 0.095 0.000 1.331 480 G CA -0.358 44.823 45.100 0.135 0.000 1.059 480 G HN 0.134 nan 8.290 nan 0.000 0.590 481 M N -1.693 117.967 119.600 0.100 0.000 2.768 481 M HA 0.690 5.170 4.480 -0.001 0.000 0.274 481 M C 0.076 176.409 176.300 0.054 0.000 1.076 481 M CA -0.795 54.547 55.300 0.070 0.000 0.928 481 M CB 0.616 33.263 32.600 0.079 0.000 1.596 481 M HN -0.162 nan 8.290 nan 0.000 0.546 482 S N 0.485 116.208 115.700 0.038 0.000 2.592 482 S HA 0.210 4.680 4.470 -0.001 0.000 0.271 482 S C -0.490 174.126 174.600 0.027 0.000 1.326 482 S CA -0.663 57.552 58.200 0.025 0.000 1.024 482 S CB 0.326 63.534 63.200 0.013 0.000 0.921 482 S HN 0.475 nan 8.310 nan 0.000 0.527 483 E N 0.490 120.699 120.200 0.015 0.000 2.277 483 E HA 0.250 4.600 4.350 -0.001 0.000 0.274 483 E C -0.707 175.897 176.600 0.008 0.000 1.022 483 E CA -0.651 55.750 56.400 0.001 0.000 0.853 483 E CB 0.767 30.460 29.700 -0.012 0.000 1.086 483 E HN 0.511 nan 8.360 nan 0.000 0.397 484 c N 2.867 121.471 118.600 0.007 0.000 2.632 484 c HA 0.114 4.684 4.570 -0.001 0.000 0.415 484 c C 1.111 175.234 174.090 0.054 0.000 1.332 484 c CA -0.659 55.700 56.329 0.050 0.000 1.874 484 c CB -0.949 41.623 42.510 0.105 0.000 2.596 484 c HN 0.731 nan 8.230 nan 0.000 0.590 485 S N 2.981 118.722 115.700 0.069 0.000 2.579 485 S HA 0.062 4.532 4.470 -0.001 0.000 0.275 485 S C 1.012 175.682 174.600 0.116 0.000 1.345 485 S CA -0.282 57.959 58.200 0.068 0.000 1.031 485 S CB 0.715 63.949 63.200 0.056 0.000 0.892 485 S HN 0.760 nan 8.310 nan 0.000 0.529 486 S N 1.765 117.527 115.700 0.103 0.000 2.400 486 S HA -0.129 4.341 4.470 -0.001 0.000 0.232 486 S C 2.065 176.764 174.600 0.164 0.000 1.025 486 S CA 1.371 59.661 58.200 0.150 0.000 0.993 486 S CB -0.676 62.587 63.200 0.106 0.000 0.808 486 S HN 0.851 nan 8.310 nan 0.000 0.478 487 S N 0.887 116.652 115.700 0.110 0.000 2.402 487 S HA -0.017 4.452 4.470 -0.001 0.000 0.229 487 S C 1.943 176.597 174.600 0.090 0.000 1.021 487 S CA 0.824 59.076 58.200 0.085 0.000 0.974 487 S CB -0.116 63.118 63.200 0.057 0.000 0.800 487 S HN 0.466 nan 8.310 nan 0.000 0.484 488 R N -0.508 120.061 120.500 0.114 0.000 2.075 488 R HA -0.015 4.324 4.340 -0.001 0.000 0.226 488 R C 2.375 178.768 176.300 0.154 0.000 1.114 488 R CA 1.312 57.478 56.100 0.111 0.000 0.972 488 R CB -0.508 29.857 30.300 0.109 0.000 0.869 488 R HN 0.698 nan 8.270 nan 0.000 0.437 489 W N 1.873 123.187 121.300 0.024 0.000 2.379 489 W HA -0.156 4.503 4.660 -0.001 0.000 0.307 489 W C 0.740 177.285 176.519 0.042 0.000 1.200 489 W CA 1.379 58.743 57.345 0.032 0.000 1.297 489 W CB -0.009 29.476 29.460 0.041 0.000 1.140 489 W HN 0.146 nan 8.180 nan 0.000 0.507 490 E N 0.339 120.593 120.200 0.090 0.000 2.427 490 E HA -0.048 4.301 4.350 -0.001 0.000 0.196 490 E C 0.464 177.029 176.600 -0.058 0.000 1.028 490 E CA 0.338 56.724 56.400 -0.022 0.000 0.864 490 E CB 0.054 29.813 29.700 0.099 0.000 0.813 490 E HN 0.145 nan 8.360 nan 0.000 0.514 491 R N 0.000 120.480 120.500 -0.034 0.000 2.786 491 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 491 R CA 0.000 56.081 56.100 -0.032 0.000 0.921 491 R CB 0.000 30.257 30.300 -0.072 0.000 0.687 491 R HN 0.000 nan 8.270 nan 0.000 0.535