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 1asy_1_A DATA FIRST_RESID 68 DATA SEQUENCE EDTAKDNYGK LPLIQSRDSD RTGQKRVKFV DLDEAKDSDK EVLFRARVHN DATA SEQUENCE TRQQGATLAF LTLRQQASLI QGLVKANKEG TISKNMVKWA GSLNLESIVL DATA SEQUENCE VRGIVKKVDE PIKSATVQNL EIHITKIYTI SETPEALPIL LEDASRSEAE DATA SEQUENCE AEAAGLPVVN LDTRLDYRVI DLRTVTNQAI FRIQAGVCEL FREYLATKKF DATA SEQUENCE TEVHTPKLLG APSEGGSSVF EVTYFKGKAY LAQSPQFNKQ QLIVADFERV DATA SEQUENCE YEIGPVFRAE NSNTHRHMTE FTGLDMEMAF EEHYHEVLDT LSELFVFIFS DATA SEQUENCE ELPKRFAHEI ELVRKQYPVE EFKLPKDGKM VRLTYKEGIE MLRAAGKEIG DATA SEQUENCE DFEDLSTENE KFLGKLVRDK YDTDFYILDK FPLEIRPFYT MPDPANPKYS DATA SEQUENCE NSYDFFMRGE EILSGAQRIH DHALLQERMK AHGLSPEDPG LKDYCDGFSY DATA SEQUENCE GCPPHAGGGI GLERVVMFYL DLKNIRRASL FPRDPKRLRP 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 68 E HA 0.000 nan 4.350 nan 0.000 0.291 68 E C 0.000 176.611 176.600 0.018 0.000 1.382 68 E CA 0.000 56.397 56.400 -0.004 0.000 0.976 68 E CB 0.000 29.707 29.700 0.012 0.000 0.812 69 D N -0.337 120.067 120.400 0.007 0.000 2.940 69 D HA 0.270 4.909 4.640 -0.001 0.000 0.304 69 D C -0.272 176.036 176.300 0.014 0.000 1.255 69 D CA 0.258 54.281 54.000 0.038 0.000 0.734 69 D CB 1.059 41.923 40.800 0.107 0.000 1.261 69 D HN 0.345 nan 8.370 nan 0.000 0.436 70 T N -1.064 113.508 114.554 0.031 0.000 3.010 70 T HA 0.308 4.658 4.350 -0.001 0.000 0.252 70 T C 1.158 175.865 174.700 0.012 0.000 1.047 70 T CA 1.411 63.521 62.100 0.016 0.000 1.140 70 T CB -0.138 68.742 68.868 0.020 0.000 0.885 70 T HN 0.431 nan 8.240 nan 0.000 0.464 71 A N 0.912 123.756 122.820 0.039 0.000 2.684 71 A HA 0.454 4.774 4.320 -0.001 0.000 0.288 71 A C 1.545 179.103 177.584 -0.043 0.000 1.337 71 A CA 0.045 52.101 52.037 0.033 0.000 0.946 71 A CB -0.431 18.621 19.000 0.087 0.000 1.093 71 A HN 0.400 nan 8.150 nan 0.000 0.543 72 K N 1.238 121.572 120.400 -0.109 0.000 2.366 72 K HA -0.180 4.139 4.320 -0.001 0.000 0.202 72 K C 0.422 176.839 176.600 -0.305 0.000 1.045 72 K CA 2.234 58.360 56.287 -0.268 0.000 0.934 72 K CB -0.153 32.250 32.500 -0.162 0.000 0.746 72 K HN 0.587 nan 8.250 nan 0.000 0.470 73 D N -1.179 119.126 120.400 -0.158 0.000 2.398 73 D HA 0.051 4.690 4.640 -0.001 0.000 0.210 73 D C 0.317 176.637 176.300 0.033 0.000 1.094 73 D CA -0.023 53.935 54.000 -0.070 0.000 0.839 73 D CB 0.273 41.053 40.800 -0.033 0.000 0.963 73 D HN 0.183 nan 8.370 nan 0.000 0.506 74 N N 0.237 118.900 118.700 -0.062 0.000 2.356 74 N HA 0.034 4.773 4.740 -0.001 0.000 0.178 74 N C 0.076 175.366 175.510 -0.366 0.000 1.075 74 N CA 0.252 53.249 53.050 -0.089 0.000 0.889 74 N CB 0.528 39.003 38.487 -0.020 0.000 0.999 74 N HN 0.407 nan 8.380 nan 0.000 0.464 75 Y N -2.102 117.906 120.300 -0.485 0.000 2.644 75 Y HA 0.786 5.336 4.550 -0.001 0.000 0.338 75 Y C 0.073 175.522 175.900 -0.752 0.000 1.119 75 Y CA -1.099 56.478 58.100 -0.871 0.000 1.060 75 Y CB 1.155 39.027 38.460 -0.979 0.000 1.294 75 Y HN 0.016 nan 8.280 nan 0.000 0.472 76 G N 1.319 109.544 108.800 -0.959 0.000 2.375 76 G HA2 0.047 4.007 3.960 -0.001 0.000 0.663 76 G HA3 0.047 4.007 3.960 -0.001 0.000 0.663 76 G C -1.833 173.116 174.900 0.082 0.000 1.391 76 G CA -0.899 43.904 45.100 -0.495 0.000 0.949 76 G HN 0.906 nan 8.290 nan 0.000 0.646 77 K N 0.730 121.217 120.400 0.145 0.000 2.436 77 K HA 0.325 4.645 4.320 -0.001 0.000 0.282 77 K C 0.557 177.217 176.600 0.099 0.000 1.044 77 K CA -0.299 56.104 56.287 0.193 0.000 1.028 77 K CB 0.116 32.711 32.500 0.158 0.000 0.919 77 K HN 0.433 nan 8.250 nan 0.000 0.474 78 L N 6.718 128.004 121.223 0.104 0.000 2.417 78 L HA 0.293 4.632 4.340 -0.001 0.000 0.268 78 L C -1.579 175.293 176.870 0.003 0.000 1.158 78 L CA -1.979 52.864 54.840 0.005 0.000 0.819 78 L CB 0.891 42.947 42.059 -0.005 0.000 1.112 78 L HN 0.713 nan 8.230 nan 0.000 0.458 79 P HA 0.062 nan 4.420 nan 0.000 0.279 79 P C -0.508 176.785 177.300 -0.012 0.000 1.239 79 P CA -0.737 62.351 63.100 -0.019 0.000 0.789 79 P CB 1.091 32.770 31.700 -0.037 0.000 0.933 80 L N 3.205 124.428 121.223 -0.001 0.000 2.795 80 L HA -0.158 4.181 4.340 -0.001 0.000 0.290 80 L C 0.037 176.904 176.870 -0.004 0.000 1.206 80 L CA 0.759 55.600 54.840 0.003 0.000 0.919 80 L CB -0.643 41.418 42.059 0.003 0.000 1.227 80 L HN 0.203 nan 8.230 nan 0.000 0.483 81 I N 5.569 126.140 120.570 0.001 0.000 2.483 81 I HA 0.017 4.187 4.170 -0.001 0.000 0.291 81 I C 1.030 177.145 176.117 -0.002 0.000 1.112 81 I CA 0.689 61.987 61.300 -0.003 0.000 1.350 81 I CB 0.590 38.591 38.000 0.003 0.000 1.419 81 I HN 0.683 nan 8.210 nan 0.000 0.523 82 Q N 2.709 122.505 119.800 -0.007 0.000 2.247 82 Q HA 0.161 4.500 4.340 -0.001 0.000 0.211 82 Q C 0.812 176.808 176.000 -0.006 0.000 0.861 82 Q CA 0.328 56.127 55.803 -0.006 0.000 0.949 82 Q CB 0.477 29.210 28.738 -0.008 0.000 1.115 82 Q HN 0.704 nan 8.270 nan 0.000 0.507 83 S N -0.729 114.967 115.700 -0.007 0.000 3.171 83 S HA -0.220 4.250 4.470 -0.001 0.000 0.279 83 S C 0.181 174.776 174.600 -0.009 0.000 1.294 83 S CA 0.740 58.936 58.200 -0.006 0.000 1.077 83 S CB -1.307 61.891 63.200 -0.004 0.000 1.298 83 S HN 0.596 nan 8.310 nan 0.000 0.666 84 R N 1.433 121.926 120.500 -0.012 0.000 2.488 84 R HA -0.015 4.325 4.340 -0.001 0.000 0.317 84 R C 0.622 176.914 176.300 -0.014 0.000 0.941 84 R CA 0.711 56.803 56.100 -0.013 0.000 1.076 84 R CB 0.013 30.303 30.300 -0.017 0.000 0.917 84 R HN 0.205 nan 8.270 nan 0.000 0.407 85 D N 1.508 121.901 120.400 -0.011 0.000 2.292 85 D HA -0.218 4.422 4.640 -0.001 0.000 0.205 85 D C 1.563 177.856 176.300 -0.012 0.000 0.994 85 D CA 2.156 56.150 54.000 -0.010 0.000 0.897 85 D CB 0.201 40.996 40.800 -0.008 0.000 0.907 85 D HN 0.658 nan 8.370 nan 0.000 0.467 86 S N -0.432 115.259 115.700 -0.016 0.000 2.489 86 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 86 S C 1.289 175.875 174.600 -0.023 0.000 0.995 86 S CA 0.415 58.603 58.200 -0.019 0.000 0.934 86 S CB 0.104 63.291 63.200 -0.022 0.000 0.771 86 S HN 0.075 nan 8.310 nan 0.000 0.522 87 D N 1.796 122.181 120.400 -0.024 0.000 2.149 87 D HA -0.001 4.639 4.640 -0.001 0.000 0.201 87 D C 0.639 176.926 176.300 -0.022 0.000 0.972 87 D CA 0.542 54.525 54.000 -0.029 0.000 0.835 87 D CB -0.328 40.455 40.800 -0.028 0.000 0.966 87 D HN 0.191 nan 8.370 nan 0.000 0.476 88 R N 1.769 122.260 120.500 -0.015 0.000 3.253 88 R HA -0.036 4.304 4.340 -0.001 0.000 0.319 88 R C 0.951 177.246 176.300 -0.009 0.000 1.047 88 R CA 0.314 56.408 56.100 -0.010 0.000 0.970 88 R CB -1.171 29.125 30.300 -0.006 0.000 1.000 88 R HN 0.299 nan 8.270 nan 0.000 0.423 89 T N -2.348 112.200 114.554 -0.010 0.000 3.067 89 T HA 0.033 4.383 4.350 -0.001 0.000 0.261 89 T C 1.411 176.111 174.700 -0.000 0.000 1.110 89 T CA 0.428 62.524 62.100 -0.008 0.000 1.113 89 T CB 0.247 69.109 68.868 -0.011 0.000 0.917 89 T HN 0.631 nan 8.240 nan 0.000 0.499 90 G N 1.305 110.106 108.800 0.002 0.000 2.296 90 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.282 90 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.282 90 G C -0.045 174.862 174.900 0.011 0.000 1.014 90 G CA 0.139 45.243 45.100 0.007 0.000 0.812 90 G HN 0.614 nan 8.290 nan 0.000 0.508 91 Q N -0.345 119.462 119.800 0.012 0.000 2.235 91 Q HA 0.439 4.779 4.340 -0.001 0.000 0.250 91 Q C 0.350 176.365 176.000 0.025 0.000 0.909 91 Q CA -0.454 55.360 55.803 0.018 0.000 0.910 91 Q CB 0.851 29.599 28.738 0.016 0.000 1.223 91 Q HN 0.306 nan 8.270 nan 0.000 0.432 92 K N 2.200 122.619 120.400 0.032 0.000 2.378 92 K HA 0.154 4.473 4.320 -0.001 0.000 0.288 92 K C -0.200 176.432 176.600 0.053 0.000 1.057 92 K CA 0.051 56.362 56.287 0.040 0.000 0.971 92 K CB 0.307 32.833 32.500 0.043 0.000 0.975 92 K HN 0.159 nan 8.250 nan 0.000 0.475 93 R N 2.009 122.540 120.500 0.051 0.000 2.254 93 R HA 0.317 4.657 4.340 -0.001 0.000 0.318 93 R C -0.853 175.490 176.300 0.072 0.000 1.031 93 R CA -0.415 55.725 56.100 0.068 0.000 0.905 93 R CB 0.792 31.121 30.300 0.049 0.000 1.050 93 R HN 0.383 nan 8.270 nan 0.000 0.456 94 V N 4.083 124.067 119.914 0.118 0.000 2.612 94 V HA 0.374 4.494 4.120 -0.001 0.000 0.301 94 V C 0.126 176.206 176.094 -0.024 0.000 1.046 94 V CA -0.816 61.534 62.300 0.083 0.000 0.946 94 V CB 1.754 33.661 31.823 0.141 0.000 1.003 94 V HN 0.631 nan 8.190 nan 0.000 0.459 95 K N 2.109 122.473 120.400 -0.060 0.000 2.156 95 K HA 0.389 4.708 4.320 -0.001 0.000 0.271 95 K C 0.425 176.970 176.600 -0.092 0.000 0.995 95 K CA -0.515 55.670 56.287 -0.169 0.000 0.890 95 K CB 1.180 33.635 32.500 -0.076 0.000 1.073 95 K HN 0.449 nan 8.250 nan 0.000 0.454 96 F N 1.137 121.043 119.950 -0.073 0.000 2.126 96 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 96 F C 2.307 178.084 175.800 -0.040 0.000 1.096 96 F CA 1.240 59.181 58.000 -0.098 0.000 1.255 96 F CB -1.372 37.550 39.000 -0.129 0.000 0.997 96 F HN 0.434 nan 8.300 nan 0.000 0.479 97 V N -1.682 118.322 119.914 0.151 0.000 2.660 97 V HA -0.214 3.905 4.120 -0.001 0.000 0.257 97 V C 0.976 177.111 176.094 0.069 0.000 1.088 97 V CA 2.222 64.580 62.300 0.097 0.000 1.106 97 V CB -0.768 31.101 31.823 0.076 0.000 0.686 97 V HN 0.265 nan 8.190 nan 0.000 0.481 98 D N 0.313 120.752 120.400 0.065 0.000 2.388 98 D HA 0.329 4.968 4.640 -0.001 0.000 0.221 98 D C 0.535 176.870 176.300 0.059 0.000 1.133 98 D CA -0.028 54.003 54.000 0.052 0.000 0.831 98 D CB 0.350 41.176 40.800 0.042 0.000 0.962 98 D HN 0.450 nan 8.370 nan 0.000 0.502 99 L N 0.828 122.094 121.223 0.072 0.000 2.395 99 L HA 0.252 4.591 4.340 -0.001 0.000 0.269 99 L C 0.184 177.081 176.870 0.045 0.000 1.133 99 L CA -0.083 54.797 54.840 0.068 0.000 0.812 99 L CB 0.793 42.899 42.059 0.079 0.000 1.125 99 L HN -0.213 nan 8.230 nan 0.000 0.452 100 D N 0.255 120.678 120.400 0.038 0.000 2.696 100 D HA 0.186 4.825 4.640 -0.001 0.000 0.251 100 D C 0.484 176.797 176.300 0.021 0.000 1.188 100 D CA -0.526 53.490 54.000 0.027 0.000 0.876 100 D CB 1.512 42.327 40.800 0.026 0.000 1.334 100 D HN 0.483 nan 8.370 nan 0.000 0.540 101 E N 2.199 122.408 120.200 0.014 0.000 2.267 101 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 101 E C 1.436 178.042 176.600 0.009 0.000 0.998 101 E CA 1.298 57.703 56.400 0.010 0.000 0.830 101 E CB -0.189 29.515 29.700 0.006 0.000 0.751 101 E HN 0.355 nan 8.360 nan 0.000 0.491 102 A N 0.891 123.718 122.820 0.011 0.000 1.881 102 A HA 0.064 4.383 4.320 -0.001 0.000 0.210 102 A C 1.969 179.561 177.584 0.013 0.000 1.239 102 A CA 0.961 53.004 52.037 0.011 0.000 0.629 102 A CB 0.015 19.021 19.000 0.010 0.000 0.906 102 A HN 0.066 nan 8.150 nan 0.000 0.460 103 K N -0.519 119.891 120.400 0.017 0.000 2.108 103 K HA 0.019 4.338 4.320 -0.001 0.000 0.204 103 K C -0.296 176.318 176.600 0.025 0.000 1.036 103 K CA 0.738 57.037 56.287 0.020 0.000 0.965 103 K CB -0.081 32.432 32.500 0.022 0.000 0.804 103 K HN 0.148 nan 8.250 nan 0.000 0.454 104 D N 1.947 122.365 120.400 0.030 0.000 2.688 104 D HA 0.091 4.730 4.640 -0.001 0.000 0.228 104 D C -1.137 175.183 176.300 0.033 0.000 1.116 104 D CA 0.357 54.380 54.000 0.039 0.000 1.023 104 D CB 0.158 40.989 40.800 0.052 0.000 1.100 104 D HN -0.079 nan 8.370 nan 0.000 0.487 105 S N 1.471 117.185 115.700 0.023 0.000 2.669 105 S HA 0.266 4.736 4.470 -0.001 0.000 0.315 105 S C -0.712 173.892 174.600 0.008 0.000 1.106 105 S CA -0.873 57.334 58.200 0.012 0.000 1.107 105 S CB 1.172 64.376 63.200 0.006 0.000 0.990 105 S HN 0.221 nan 8.310 nan 0.000 0.471 106 D N 2.135 122.537 120.400 0.003 0.000 3.061 106 D HA -0.092 4.547 4.640 -0.001 0.000 0.252 106 D C -0.625 175.686 176.300 0.019 0.000 1.080 106 D CA 0.880 54.877 54.000 -0.005 0.000 0.871 106 D CB -0.509 40.281 40.800 -0.018 0.000 1.018 106 D HN 0.300 nan 8.370 nan 0.000 0.425 107 K N 0.583 121.008 120.400 0.042 0.000 2.375 107 K HA 0.354 4.673 4.320 -0.001 0.000 0.249 107 K C 0.277 176.923 176.600 0.078 0.000 0.942 107 K CA -0.665 55.657 56.287 0.058 0.000 0.806 107 K CB 1.852 34.395 32.500 0.071 0.000 1.227 107 K HN 0.192 nan 8.250 nan 0.000 0.430 108 E N 2.824 123.066 120.200 0.069 0.000 2.346 108 E HA 0.057 4.406 4.350 -0.001 0.000 0.317 108 E C 0.318 176.970 176.600 0.087 0.000 1.404 108 E CA -0.349 56.095 56.400 0.073 0.000 1.534 108 E CB -0.119 29.612 29.700 0.052 0.000 1.309 108 E HN 0.386 nan 8.360 nan 0.000 0.499 109 V N 0.465 120.461 119.914 0.137 0.000 3.376 109 V HA 0.258 4.378 4.120 -0.001 0.000 0.303 109 V C 0.029 176.175 176.094 0.087 0.000 1.100 109 V CA -0.544 61.860 62.300 0.174 0.000 1.126 109 V CB 0.829 32.845 31.823 0.322 0.000 1.085 109 V HN 0.411 nan 8.190 nan 0.000 0.480 110 L N 3.101 124.366 121.223 0.069 0.000 2.436 110 L HA 0.852 5.191 4.340 -0.001 0.000 0.268 110 L C -1.060 175.806 176.870 -0.005 0.000 0.974 110 L CA -0.477 54.296 54.840 -0.111 0.000 0.826 110 L CB 1.760 43.800 42.059 -0.031 0.000 1.291 110 L HN 0.909 nan 8.230 nan 0.000 0.406 111 F N 1.858 121.864 119.950 0.093 0.000 2.686 111 F HA 0.681 5.207 4.527 -0.001 0.000 0.311 111 F C -1.124 174.703 175.800 0.045 0.000 1.128 111 F CA -1.138 56.883 58.000 0.035 0.000 0.946 111 F CB 1.296 40.294 39.000 -0.004 0.000 1.336 111 F HN 0.518 nan 8.300 nan 0.000 0.457 112 R N 1.577 122.227 120.500 0.251 0.000 2.514 112 R HA 0.927 5.266 4.340 -0.001 0.000 0.301 112 R C -1.572 174.840 176.300 0.186 0.000 0.962 112 R CA -0.536 55.671 56.100 0.178 0.000 0.882 112 R CB 1.616 31.970 30.300 0.090 0.000 1.143 112 R HN 1.315 nan 8.270 nan 0.000 0.452 113 A N 3.294 126.247 122.820 0.221 0.000 2.601 113 A HA 0.504 4.824 4.320 -0.001 0.000 0.291 113 A C -1.513 176.174 177.584 0.172 0.000 1.075 113 A CA -0.902 51.250 52.037 0.191 0.000 0.671 113 A CB 1.400 20.608 19.000 0.347 0.000 1.277 113 A HN 0.729 nan 8.150 nan 0.000 0.417 114 R N -0.425 120.153 120.500 0.130 0.000 2.560 114 R HA 0.556 4.896 4.340 -0.001 0.000 0.270 114 R C -0.828 175.547 176.300 0.126 0.000 1.074 114 R CA -0.128 56.029 56.100 0.096 0.000 1.140 114 R CB 1.187 31.510 30.300 0.039 0.000 1.073 114 R HN 0.497 nan 8.270 nan 0.000 0.527 115 V N 4.307 124.282 119.914 0.101 0.000 2.320 115 V HA 0.087 4.207 4.120 -0.001 0.000 0.265 115 V C 0.947 177.124 176.094 0.139 0.000 1.048 115 V CA 0.115 62.478 62.300 0.105 0.000 0.865 115 V CB 0.627 32.477 31.823 0.046 0.000 1.043 115 V HN 0.846 nan 8.190 nan 0.000 0.474 116 H N 4.607 123.706 119.070 0.050 0.000 2.343 116 H HA 0.085 4.640 4.556 -0.001 0.000 0.303 116 H C 0.947 176.285 175.328 0.018 0.000 1.068 116 H CA 1.075 57.145 56.048 0.037 0.000 1.359 116 H CB 0.620 30.408 29.762 0.042 0.000 1.402 116 H HN 0.631 nan 8.280 nan 0.000 0.515 117 N N -0.530 118.231 118.700 0.103 0.000 2.636 117 N HA 0.079 4.819 4.740 -0.001 0.000 0.261 117 N C -1.919 173.595 175.510 0.007 0.000 1.195 117 N CA -0.364 52.683 53.050 -0.005 0.000 0.902 117 N CB 1.792 40.209 38.487 -0.116 0.000 1.627 117 N HN 0.127 nan 8.380 nan 0.000 0.491 118 T N -0.037 114.513 114.554 -0.008 0.000 2.876 118 T HA 0.656 5.005 4.350 -0.001 0.000 0.289 118 T C -0.558 174.144 174.700 0.004 0.000 1.014 118 T CA -0.810 61.292 62.100 0.003 0.000 0.986 118 T CB 1.510 70.362 68.868 -0.026 0.000 1.021 118 T HN 0.462 nan 8.240 nan 0.000 0.458 119 R N 1.613 122.139 120.500 0.043 0.000 2.507 119 R HA 0.335 4.675 4.340 -0.001 0.000 0.298 119 R C -0.874 175.488 176.300 0.104 0.000 1.087 119 R CA -0.511 55.609 56.100 0.033 0.000 0.917 119 R CB 1.984 32.272 30.300 -0.021 0.000 1.173 119 R HN 0.681 nan 8.270 nan 0.000 0.472 120 Q N 2.479 122.315 119.800 0.061 0.000 2.290 120 Q HA 0.136 4.475 4.340 -0.001 0.000 0.259 120 Q C 0.152 176.193 176.000 0.068 0.000 0.941 120 Q CA -0.486 55.360 55.803 0.072 0.000 0.912 120 Q CB 1.342 30.090 28.738 0.017 0.000 1.244 120 Q HN 0.474 nan 8.270 nan 0.000 0.441 121 Q N 2.062 121.925 119.800 0.104 0.000 2.019 121 Q HA 0.267 4.606 4.340 -0.001 0.000 0.195 121 Q C 0.485 176.509 176.000 0.039 0.000 0.981 121 Q CA 1.084 56.933 55.803 0.076 0.000 0.832 121 Q CB -0.083 28.731 28.738 0.126 0.000 0.902 121 Q HN 0.716 nan 8.270 nan 0.000 0.461 122 G N -1.009 107.811 108.800 0.034 0.000 2.733 122 G HA2 0.528 4.487 3.960 -0.001 0.000 0.288 122 G HA3 0.528 4.487 3.960 -0.001 0.000 0.288 122 G C -1.193 173.705 174.900 -0.003 0.000 1.373 122 G CA -0.235 44.872 45.100 0.012 0.000 0.895 122 G HN 0.221 nan 8.290 nan 0.000 0.479 123 A N -0.018 122.796 122.820 -0.009 0.000 3.029 123 A HA 0.547 4.867 4.320 -0.001 0.000 0.251 123 A C 0.942 178.510 177.584 -0.027 0.000 1.749 123 A CA 0.954 52.980 52.037 -0.020 0.000 1.386 123 A CB -0.629 18.363 19.000 -0.013 0.000 1.043 123 A HN 0.674 nan 8.150 nan 0.000 0.638 124 T N -1.327 113.206 114.554 -0.037 0.000 3.352 124 T HA 0.129 4.478 4.350 -0.001 0.000 0.269 124 T C -0.513 174.139 174.700 -0.081 0.000 0.841 124 T CA 0.020 62.092 62.100 -0.048 0.000 0.894 124 T CB -0.133 68.718 68.868 -0.029 0.000 1.238 124 T HN 0.349 nan 8.240 nan 0.000 0.586 125 L N 2.561 123.742 121.223 -0.070 0.000 2.442 125 L HA 0.874 5.213 4.340 -0.001 0.000 0.261 125 L C -1.017 175.795 176.870 -0.098 0.000 1.000 125 L CA -0.475 54.285 54.840 -0.133 0.000 0.882 125 L CB 0.785 42.815 42.059 -0.048 0.000 1.207 125 L HN 0.170 nan 8.230 nan 0.000 0.443 126 A N 4.020 126.720 122.820 -0.200 0.000 2.342 126 A HA 0.851 5.170 4.320 -0.001 0.000 0.323 126 A C -1.370 176.090 177.584 -0.205 0.000 1.125 126 A CA -0.327 51.659 52.037 -0.086 0.000 0.785 126 A CB 0.669 19.624 19.000 -0.075 0.000 1.221 126 A HN 0.490 nan 8.150 nan 0.000 0.463 127 F N 0.933 120.851 119.950 -0.053 0.000 2.522 127 F HA 0.736 5.263 4.527 -0.001 0.000 0.324 127 F C -0.352 175.423 175.800 -0.043 0.000 1.077 127 F CA -0.704 57.267 58.000 -0.048 0.000 0.944 127 F CB 2.267 41.239 39.000 -0.047 0.000 1.175 127 F HN 0.467 nan 8.300 nan 0.000 0.468 128 L N -0.243 121.080 121.223 0.167 0.000 2.482 128 L HA 0.662 5.001 4.340 -0.001 0.000 0.263 128 L C -0.494 176.432 176.870 0.093 0.000 0.957 128 L CA -0.970 53.927 54.840 0.095 0.000 0.836 128 L CB 1.344 43.432 42.059 0.049 0.000 1.324 128 L HN 0.536 nan 8.230 nan 0.000 0.406 129 T N 0.764 115.362 114.554 0.074 0.000 2.738 129 T HA 0.698 5.048 4.350 -0.001 0.000 0.298 129 T C -0.116 174.660 174.700 0.125 0.000 0.962 129 T CA -0.575 61.565 62.100 0.066 0.000 0.972 129 T CB 0.599 69.491 68.868 0.039 0.000 0.928 129 T HN 0.343 nan 8.240 nan 0.000 0.474 130 L N 3.231 124.518 121.223 0.106 0.000 2.326 130 L HA 0.545 4.884 4.340 -0.001 0.000 0.278 130 L C 0.606 177.634 176.870 0.262 0.000 1.092 130 L CA -0.270 54.696 54.840 0.210 0.000 0.810 130 L CB 0.735 42.983 42.059 0.315 0.000 1.153 130 L HN 0.745 nan 8.230 nan 0.000 0.439 131 R N 2.173 122.829 120.500 0.260 0.000 2.711 131 R HA 0.492 4.831 4.340 -0.001 0.000 0.284 131 R C -0.819 175.587 176.300 0.177 0.000 0.968 131 R CA -0.492 55.730 56.100 0.203 0.000 0.924 131 R CB 1.197 31.487 30.300 -0.016 0.000 1.162 131 R HN 0.655 nan 8.270 nan 0.000 0.465 132 Q N 3.276 123.161 119.800 0.142 0.000 3.230 132 Q HA 0.147 4.486 4.340 -0.001 0.000 0.303 132 Q C -0.685 175.328 176.000 0.022 0.000 0.884 132 Q CA -0.246 55.559 55.803 0.004 0.000 0.859 132 Q CB 1.468 30.087 28.738 -0.198 0.000 1.432 132 Q HN 0.838 nan 8.270 nan 0.000 0.403 133 Q N -0.151 119.658 119.800 0.014 0.000 1.412 133 Q HA -0.239 4.100 4.340 -0.001 0.000 0.293 133 Q C -0.257 175.759 176.000 0.027 0.000 0.883 133 Q CA 1.116 56.927 55.803 0.014 0.000 0.911 133 Q CB -1.368 27.383 28.738 0.022 0.000 2.974 133 Q HN 0.573 nan 8.270 nan 0.000 0.523 134 A N 1.161 124.010 122.820 0.048 0.000 3.215 134 A HA 0.546 4.865 4.320 -0.001 0.000 0.269 134 A C -0.403 177.245 177.584 0.107 0.000 1.517 134 A CA 0.897 52.972 52.037 0.063 0.000 1.221 134 A CB 0.408 19.431 19.000 0.038 0.000 1.160 134 A HN 0.345 nan 8.150 nan 0.000 0.620 135 S N 1.163 116.935 115.700 0.120 0.000 2.584 135 S HA 0.601 5.070 4.470 -0.001 0.000 0.280 135 S C -1.362 173.354 174.600 0.193 0.000 1.162 135 S CA -0.531 57.770 58.200 0.167 0.000 0.951 135 S CB 0.463 63.787 63.200 0.205 0.000 1.108 135 S HN 0.268 nan 8.310 nan 0.000 0.464 136 L N 4.798 126.098 121.223 0.129 0.000 2.301 136 L HA 0.775 5.115 4.340 -0.001 0.000 0.264 136 L C -0.067 176.745 176.870 -0.097 0.000 1.016 136 L CA -0.826 54.062 54.840 0.079 0.000 0.821 136 L CB 1.688 43.820 42.059 0.121 0.000 1.346 136 L HN 0.863 nan 8.230 nan 0.000 0.429 137 I N 0.229 120.664 120.570 -0.224 0.000 2.961 137 I HA 0.224 4.393 4.170 -0.001 0.000 0.303 137 I C -1.715 174.265 176.117 -0.229 0.000 1.505 137 I CA -0.430 60.655 61.300 -0.357 0.000 0.964 137 I CB 2.939 40.426 38.000 -0.855 0.000 1.348 137 I HN 0.825 nan 8.210 nan 0.000 0.508 138 Q N 2.916 122.630 119.800 -0.144 0.000 2.399 138 Q HA 0.892 5.232 4.340 -0.001 0.000 0.276 138 Q C -0.924 175.090 176.000 0.023 0.000 1.098 138 Q CA -0.734 55.057 55.803 -0.019 0.000 0.827 138 Q CB 2.395 31.160 28.738 0.045 0.000 1.386 138 Q HN 0.739 nan 8.270 nan 0.000 0.443 139 G N 0.618 109.470 108.800 0.085 0.000 2.690 139 G HA2 0.638 4.597 3.960 -0.001 0.000 0.291 139 G HA3 0.638 4.597 3.960 -0.001 0.000 0.291 139 G C -1.899 172.999 174.900 -0.004 0.000 1.403 139 G CA -1.023 44.123 45.100 0.076 0.000 0.864 139 G HN 0.573 nan 8.290 nan 0.000 0.480 140 L N -0.970 120.146 121.223 -0.178 0.000 2.408 140 L HA 0.743 5.082 4.340 -0.001 0.000 0.268 140 L C -0.265 176.394 176.870 -0.351 0.000 0.986 140 L CA -1.625 52.937 54.840 -0.464 0.000 0.820 140 L CB 1.257 42.723 42.059 -0.989 0.000 1.303 140 L HN 0.272 nan 8.230 nan 0.000 0.411 141 V N 1.826 121.558 119.914 -0.305 0.000 2.320 141 V HA 0.458 4.577 4.120 -0.001 0.000 0.265 141 V C 0.246 176.194 176.094 -0.244 0.000 1.048 141 V CA -0.414 61.769 62.300 -0.196 0.000 0.865 141 V CB 0.500 32.252 31.823 -0.117 0.000 1.043 141 V HN 0.825 nan 8.190 nan 0.000 0.474 142 K N 4.337 124.598 120.400 -0.231 0.000 2.449 142 K HA 0.701 5.020 4.320 -0.001 0.000 0.257 142 K C 0.361 176.890 176.600 -0.117 0.000 0.989 142 K CA -0.482 55.683 56.287 -0.204 0.000 0.916 142 K CB 1.391 33.739 32.500 -0.254 0.000 1.136 142 K HN 0.754 nan 8.250 nan 0.000 0.439 143 A N 3.652 126.419 122.820 -0.089 0.000 2.615 143 A HA -0.029 4.291 4.320 -0.001 0.000 0.230 143 A C -0.144 177.417 177.584 -0.038 0.000 1.062 143 A CA 0.341 52.345 52.037 -0.054 0.000 0.758 143 A CB -0.092 18.883 19.000 -0.043 0.000 0.995 143 A HN 0.981 nan 8.150 nan 0.000 0.511 144 N N 0.187 118.874 118.700 -0.022 0.000 2.329 144 N HA 0.168 4.907 4.740 -0.001 0.000 0.282 144 N C 0.016 175.523 175.510 -0.004 0.000 1.198 144 N CA -0.706 52.337 53.050 -0.011 0.000 0.790 144 N CB 1.543 40.026 38.487 -0.006 0.000 1.579 144 N HN 0.596 nan 8.380 nan 0.000 0.475 145 K N 0.083 120.483 120.400 -0.001 0.000 2.442 145 K HA -0.101 4.218 4.320 -0.001 0.000 0.198 145 K C -0.174 176.428 176.600 0.004 0.000 1.044 145 K CA 1.301 57.589 56.287 0.002 0.000 0.948 145 K CB 0.195 32.697 32.500 0.003 0.000 0.762 145 K HN 0.503 nan 8.250 nan 0.000 0.472 146 E N -0.640 119.563 120.200 0.004 0.000 2.435 146 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 146 E C 1.102 177.706 176.600 0.007 0.000 1.029 146 E CA 0.771 57.175 56.400 0.006 0.000 0.865 146 E CB 0.101 29.806 29.700 0.008 0.000 0.833 146 E HN 0.524 nan 8.360 nan 0.000 0.510 147 G N -0.150 108.655 108.800 0.007 0.000 2.179 147 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 147 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 147 G C 1.339 176.247 174.900 0.014 0.000 0.977 147 G CA 0.870 45.977 45.100 0.011 0.000 0.641 147 G HN 0.355 nan 8.290 nan 0.000 0.533 148 T N 0.245 114.805 114.554 0.011 0.000 2.708 148 T HA 0.155 4.505 4.350 -0.001 0.000 0.266 148 T C 1.221 175.931 174.700 0.016 0.000 1.037 148 T CA 1.394 63.502 62.100 0.013 0.000 1.146 148 T CB 0.123 68.997 68.868 0.011 0.000 0.865 148 T HN 0.482 nan 8.240 nan 0.000 0.435 149 I N 2.084 122.657 120.570 0.006 0.000 2.411 149 I HA 0.304 4.474 4.170 -0.001 0.000 0.284 149 I C 0.438 176.549 176.117 -0.010 0.000 1.012 149 I CA -0.668 60.628 61.300 -0.006 0.000 1.119 149 I CB 1.693 39.677 38.000 -0.027 0.000 1.261 149 I HN 0.182 nan 8.210 nan 0.000 0.448 150 S N 5.405 121.103 115.700 -0.004 0.000 2.495 150 S HA 0.427 4.897 4.470 -0.001 0.000 0.273 150 S C 0.934 175.515 174.600 -0.031 0.000 1.156 150 S CA -0.266 57.931 58.200 -0.005 0.000 1.032 150 S CB 1.219 64.434 63.200 0.025 0.000 1.160 150 S HN 0.470 nan 8.310 nan 0.000 0.489 151 K N 0.720 121.107 120.400 -0.021 0.000 2.202 151 K HA 0.296 4.615 4.320 -0.001 0.000 0.201 151 K C 1.936 178.510 176.600 -0.043 0.000 1.051 151 K CA 1.008 57.279 56.287 -0.028 0.000 0.977 151 K CB -0.795 31.699 32.500 -0.009 0.000 0.792 151 K HN 0.571 nan 8.250 nan 0.000 0.469 152 N N 0.561 119.241 118.700 -0.033 0.000 2.166 152 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 152 N C 1.584 176.934 175.510 -0.266 0.000 1.019 152 N CA 1.316 54.337 53.050 -0.047 0.000 0.856 152 N CB -0.107 38.421 38.487 0.068 0.000 0.993 152 N HN 0.144 nan 8.380 nan 0.000 0.426 153 M N 0.628 119.998 119.600 -0.383 0.000 2.098 153 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 153 M C 1.779 177.940 176.300 -0.232 0.000 1.072 153 M CA 1.271 56.180 55.300 -0.651 0.000 1.133 153 M CB -0.036 32.353 32.600 -0.353 0.000 1.344 153 M HN 0.099 nan 8.290 nan 0.000 0.414 154 V N -1.279 118.553 119.914 -0.137 0.000 2.720 154 V HA -0.226 3.893 4.120 -0.001 0.000 0.256 154 V C 2.091 178.138 176.094 -0.078 0.000 1.082 154 V CA 2.197 64.440 62.300 -0.094 0.000 1.101 154 V CB -1.295 30.475 31.823 -0.090 0.000 0.693 154 V HN 0.577 nan 8.190 nan 0.000 0.479 155 K N -0.658 119.701 120.400 -0.068 0.000 2.044 155 K HA -0.156 4.164 4.320 -0.001 0.000 0.204 155 K C 1.951 178.528 176.600 -0.038 0.000 1.049 155 K CA 1.344 57.606 56.287 -0.041 0.000 0.945 155 K CB -0.404 32.088 32.500 -0.013 0.000 0.724 155 K HN 0.616 nan 8.250 nan 0.000 0.440 156 W N 1.551 122.713 121.300 -0.231 0.000 2.317 156 W HA -0.267 4.393 4.660 -0.001 0.000 0.318 156 W C 1.905 178.342 176.519 -0.136 0.000 1.227 156 W CA 2.838 60.062 57.345 -0.201 0.000 1.269 156 W CB -0.602 28.605 29.460 -0.422 0.000 1.155 156 W HN 0.189 nan 8.180 nan 0.000 0.484 157 A N 0.538 123.216 122.820 -0.237 0.000 1.933 157 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 157 A C 2.183 179.590 177.584 -0.296 0.000 1.175 157 A CA 1.806 53.603 52.037 -0.401 0.000 0.628 157 A CB -1.684 17.273 19.000 -0.073 0.000 0.814 157 A HN 0.488 nan 8.150 nan 0.000 0.444 158 G N -0.613 108.079 108.800 -0.180 0.000 2.679 158 G HA2 0.042 4.001 3.960 -0.001 0.000 0.212 158 G HA3 0.042 4.001 3.960 -0.001 0.000 0.212 158 G C 1.289 176.110 174.900 -0.131 0.000 1.137 158 G CA 1.355 46.384 45.100 -0.118 0.000 0.787 158 G HN 0.848 nan 8.290 nan 0.000 0.534 159 S N -0.716 114.863 115.700 -0.202 0.000 2.603 159 S HA 0.352 4.822 4.470 -0.001 0.000 0.232 159 S C 0.544 175.008 174.600 -0.227 0.000 1.016 159 S CA -0.595 57.502 58.200 -0.171 0.000 0.976 159 S CB 0.100 63.227 63.200 -0.121 0.000 0.921 159 S HN 0.104 nan 8.310 nan 0.000 0.516 160 L N 3.521 124.533 121.223 -0.351 0.000 2.628 160 L HA 0.054 4.394 4.340 -0.001 0.000 0.274 160 L C -0.157 176.613 176.870 -0.167 0.000 1.209 160 L CA -0.119 54.513 54.840 -0.346 0.000 0.930 160 L CB -0.166 41.658 42.059 -0.390 0.000 1.183 160 L HN 0.240 nan 8.230 nan 0.000 0.492 161 N N 3.919 122.552 118.700 -0.111 0.000 2.395 161 N HA 0.124 4.863 4.740 -0.001 0.000 0.246 161 N C -0.233 175.259 175.510 -0.030 0.000 1.246 161 N CA -0.127 52.891 53.050 -0.054 0.000 0.879 161 N CB 0.348 38.819 38.487 -0.027 0.000 1.098 161 N HN 0.388 nan 8.380 nan 0.000 0.444 162 L N 2.076 123.294 121.223 -0.009 0.000 2.514 162 L HA -0.069 4.271 4.340 -0.001 0.000 0.280 162 L C 0.996 177.883 176.870 0.030 0.000 1.223 162 L CA 0.529 55.382 54.840 0.022 0.000 0.864 162 L CB 0.195 42.273 42.059 0.032 0.000 1.118 162 L HN 0.590 nan 8.230 nan 0.000 0.494 163 E N -0.539 119.689 120.200 0.047 0.000 4.174 163 E HA -0.170 4.179 4.350 -0.001 0.000 0.374 163 E C 0.201 176.825 176.600 0.040 0.000 0.582 163 E CA 1.007 57.432 56.400 0.042 0.000 1.359 163 E CB -1.096 28.626 29.700 0.038 0.000 1.820 163 E HN 0.682 nan 8.360 nan 0.000 0.388 164 S N 0.558 116.277 115.700 0.033 0.000 2.573 164 S HA 0.252 4.722 4.470 -0.001 0.000 0.277 164 S C 0.733 175.368 174.600 0.058 0.000 1.346 164 S CA -0.080 58.145 58.200 0.040 0.000 1.034 164 S CB 0.504 63.719 63.200 0.024 0.000 0.879 164 S HN 0.133 nan 8.310 nan 0.000 0.528 165 I N 2.542 123.155 120.570 0.072 0.000 2.353 165 I HA 0.373 4.543 4.170 -0.001 0.000 0.293 165 I C 0.008 176.193 176.117 0.114 0.000 0.992 165 I CA -0.204 61.148 61.300 0.087 0.000 1.268 165 I CB 1.210 39.255 38.000 0.076 0.000 1.387 165 I HN 0.407 nan 8.210 nan 0.000 0.478 166 V N 4.719 124.715 119.914 0.137 0.000 2.914 166 V HA 0.668 4.787 4.120 -0.001 0.000 0.314 166 V C -1.063 175.134 176.094 0.172 0.000 1.084 166 V CA -1.039 61.363 62.300 0.170 0.000 0.963 166 V CB 1.991 33.913 31.823 0.165 0.000 1.025 166 V HN 0.540 nan 8.190 nan 0.000 0.432 167 L N 4.410 125.745 121.223 0.186 0.000 2.277 167 L HA 0.724 5.063 4.340 -0.001 0.000 0.284 167 L C -0.537 176.386 176.870 0.089 0.000 1.028 167 L CA -0.081 54.842 54.840 0.137 0.000 0.835 167 L CB 1.000 43.156 42.059 0.162 0.000 1.215 167 L HN 0.651 nan 8.230 nan 0.000 0.425 168 V N 5.907 125.734 119.914 -0.145 0.000 2.435 168 V HA 0.572 4.691 4.120 -0.001 0.000 0.290 168 V C 0.052 175.778 176.094 -0.613 0.000 1.030 168 V CA -0.653 61.433 62.300 -0.358 0.000 0.881 168 V CB 1.556 33.145 31.823 -0.392 0.000 0.983 168 V HN 0.771 nan 8.190 nan 0.000 0.445 169 R N 2.638 122.966 120.500 -0.286 0.000 2.534 169 R HA 0.760 5.100 4.340 -0.001 0.000 0.301 169 R C -0.101 176.145 176.300 -0.091 0.000 0.961 169 R CA 0.030 56.018 56.100 -0.186 0.000 0.871 169 R CB 1.899 32.181 30.300 -0.031 0.000 1.170 169 R HN 0.960 nan 8.270 nan 0.000 0.446 170 G N 2.967 111.759 108.800 -0.014 0.000 2.490 170 G HA2 0.306 4.266 3.960 -0.001 0.000 0.308 170 G HA3 0.306 4.266 3.960 -0.001 0.000 0.308 170 G C -1.872 173.105 174.900 0.129 0.000 1.286 170 G CA -0.710 44.437 45.100 0.079 0.000 0.825 170 G HN 0.555 nan 8.290 nan 0.000 0.479 171 I N 0.572 121.232 120.570 0.150 0.000 2.436 171 I HA 0.558 4.727 4.170 -0.001 0.000 0.289 171 I C -0.181 175.995 176.117 0.098 0.000 1.010 171 I CA -1.131 60.237 61.300 0.112 0.000 1.098 171 I CB 1.895 39.931 38.000 0.060 0.000 1.266 171 I HN 0.370 nan 8.210 nan 0.000 0.434 172 V N 8.723 128.689 119.914 0.085 0.000 2.359 172 V HA 0.214 4.333 4.120 -0.001 0.000 0.248 172 V C -0.195 175.876 176.094 -0.038 0.000 1.091 172 V CA 0.089 62.421 62.300 0.053 0.000 1.103 172 V CB -0.591 31.278 31.823 0.076 0.000 1.176 172 V HN 0.521 nan 8.190 nan 0.000 0.488 173 K N 5.664 125.982 120.400 -0.137 0.000 2.130 173 K HA 0.438 4.758 4.320 -0.001 0.000 0.268 173 K C -0.065 176.472 176.600 -0.104 0.000 0.983 173 K CA -0.540 55.603 56.287 -0.241 0.000 0.893 173 K CB 1.591 33.664 32.500 -0.711 0.000 1.066 173 K HN 0.626 nan 8.250 nan 0.000 0.450 174 K N 0.802 121.162 120.400 -0.066 0.000 2.401 174 K HA 0.126 4.445 4.320 -0.001 0.000 0.278 174 K C 0.002 176.607 176.600 0.009 0.000 1.018 174 K CA -0.322 55.954 56.287 -0.019 0.000 0.981 174 K CB 0.754 33.245 32.500 -0.015 0.000 0.933 174 K HN 0.156 nan 8.250 nan 0.000 0.477 175 V N 3.848 123.778 119.914 0.026 0.000 2.370 175 V HA -0.004 4.115 4.120 -0.001 0.000 0.279 175 V C 0.324 176.435 176.094 0.027 0.000 1.029 175 V CA -0.341 61.987 62.300 0.046 0.000 0.870 175 V CB 0.964 32.819 31.823 0.054 0.000 0.984 175 V HN 0.900 nan 8.190 nan 0.000 0.451 176 D N 4.332 124.749 120.400 0.030 0.000 2.144 176 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 176 D C 0.624 176.931 176.300 0.012 0.000 0.978 176 D CA 0.838 54.849 54.000 0.018 0.000 0.833 176 D CB 0.204 41.016 40.800 0.020 0.000 0.961 176 D HN 0.435 nan 8.370 nan 0.000 0.470 177 E N 1.066 121.273 120.200 0.013 0.000 2.114 177 E HA 0.274 4.623 4.350 -0.001 0.000 0.266 177 E C -2.424 174.173 176.600 -0.004 0.000 0.896 177 E CA -2.530 53.871 56.400 0.002 0.000 0.750 177 E CB 1.260 30.958 29.700 -0.002 0.000 1.121 177 E HN -0.005 nan 8.360 nan 0.000 0.413 178 P HA -0.098 nan 4.420 nan 0.000 0.264 178 P C -0.554 176.733 177.300 -0.021 0.000 1.156 178 P CA 0.450 63.543 63.100 -0.012 0.000 0.756 178 P CB 0.264 31.957 31.700 -0.012 0.000 0.764 179 I N 3.733 124.289 120.570 -0.023 0.000 2.304 179 I HA 0.110 4.280 4.170 -0.001 0.000 0.291 179 I C 1.502 177.599 176.117 -0.033 0.000 1.018 179 I CA 0.191 61.470 61.300 -0.035 0.000 1.260 179 I CB 0.948 38.927 38.000 -0.035 0.000 1.390 179 I HN 0.278 nan 8.210 nan 0.000 0.475 180 K N 2.727 123.104 120.400 -0.040 0.000 2.147 180 K HA -0.057 4.262 4.320 -0.001 0.000 0.205 180 K C 0.664 177.246 176.600 -0.030 0.000 1.049 180 K CA 1.175 57.443 56.287 -0.033 0.000 0.936 180 K CB -0.067 32.411 32.500 -0.038 0.000 0.722 180 K HN 0.692 nan 8.250 nan 0.000 0.446 181 S N 0.458 116.132 115.700 -0.042 0.000 2.921 181 S HA 0.677 5.146 4.470 -0.001 0.000 0.244 181 S C -0.350 174.234 174.600 -0.026 0.000 1.291 181 S CA -0.621 57.555 58.200 -0.041 0.000 1.010 181 S CB 0.857 64.016 63.200 -0.070 0.000 1.255 181 S HN 0.275 nan 8.310 nan 0.000 0.492 182 A N 1.469 124.285 122.820 -0.008 0.000 2.490 182 A HA 0.719 5.039 4.320 -0.001 0.000 0.292 182 A C 0.233 177.822 177.584 0.008 0.000 1.047 182 A CA -0.513 51.519 52.037 -0.009 0.000 0.632 182 A CB 0.109 19.086 19.000 -0.038 0.000 1.323 182 A HN 0.326 nan 8.150 nan 0.000 0.448 183 T N -0.625 113.930 114.554 0.002 0.000 3.125 183 T HA 0.170 4.520 4.350 -0.001 0.000 0.252 183 T C 0.381 175.081 174.700 -0.001 0.000 0.981 183 T CA 1.251 63.366 62.100 0.025 0.000 1.069 183 T CB 0.134 69.041 68.868 0.066 0.000 1.091 183 T HN 0.709 nan 8.240 nan 0.000 0.460 184 V N 4.918 124.809 119.914 -0.037 0.000 2.346 184 V HA 0.112 4.231 4.120 -0.001 0.000 0.320 184 V C 1.366 177.426 176.094 -0.056 0.000 1.663 184 V CA 0.045 62.316 62.300 -0.048 0.000 1.667 184 V CB -0.738 31.031 31.823 -0.090 0.000 1.465 184 V HN 0.563 nan 8.190 nan 0.000 0.524 185 Q N -0.254 119.527 119.800 -0.032 0.000 2.362 185 Q HA 0.034 4.373 4.340 -0.001 0.000 0.215 185 Q C 0.602 176.592 176.000 -0.017 0.000 0.944 185 Q CA 0.494 56.281 55.803 -0.026 0.000 0.964 185 Q CB -0.358 28.369 28.738 -0.018 0.000 0.998 185 Q HN 0.729 nan 8.270 nan 0.000 0.488 186 N N 0.216 118.906 118.700 -0.017 0.000 2.414 186 N HA 0.116 4.855 4.740 -0.001 0.000 0.177 186 N C 0.028 175.536 175.510 -0.004 0.000 1.062 186 N CA 0.359 53.404 53.050 -0.008 0.000 0.890 186 N CB 0.471 38.954 38.487 -0.006 0.000 1.070 186 N HN 0.216 nan 8.380 nan 0.000 0.454 187 L N -0.819 120.397 121.223 -0.011 0.000 2.502 187 L HA 0.588 4.928 4.340 -0.001 0.000 0.253 187 L C -1.034 175.835 176.870 -0.002 0.000 1.070 187 L CA -1.137 53.703 54.840 0.001 0.000 0.871 187 L CB 1.368 43.425 42.059 -0.003 0.000 1.487 187 L HN -0.026 nan 8.230 nan 0.000 0.408 188 E N -0.220 120.008 120.200 0.046 0.000 2.416 188 E HA 0.694 5.043 4.350 -0.001 0.000 0.273 188 E C -1.363 175.325 176.600 0.147 0.000 0.935 188 E CA -0.987 55.458 56.400 0.075 0.000 0.784 188 E CB 2.396 32.182 29.700 0.144 0.000 1.301 188 E HN 0.391 nan 8.360 nan 0.000 0.454 189 I N 1.954 122.612 120.570 0.147 0.000 2.325 189 I HA 0.130 4.299 4.170 -0.001 0.000 0.291 189 I C -0.056 176.228 176.117 0.280 0.000 1.019 189 I CA -0.273 61.173 61.300 0.242 0.000 1.302 189 I CB 0.385 38.596 38.000 0.352 0.000 1.401 189 I HN 0.598 nan 8.210 nan 0.000 0.485 190 H N 6.841 125.956 119.070 0.076 0.000 2.882 190 H HA 0.338 4.894 4.556 -0.001 0.000 0.258 190 H C 0.247 175.597 175.328 0.037 0.000 1.579 190 H CA -0.600 55.468 56.048 0.033 0.000 1.340 190 H CB 0.584 30.359 29.762 0.022 0.000 1.645 190 H HN 0.441 nan 8.280 nan 0.000 0.541 191 I N 2.275 122.898 120.570 0.089 0.000 2.821 191 I HA -0.181 3.989 4.170 -0.001 0.000 0.294 191 I C 1.162 177.289 176.117 0.018 0.000 1.210 191 I CA 0.738 62.068 61.300 0.050 0.000 1.430 191 I CB 0.822 38.838 38.000 0.027 0.000 1.356 191 I HN 0.583 nan 8.210 nan 0.000 0.563 192 T N 4.941 119.500 114.554 0.010 0.000 3.038 192 T HA 0.164 4.514 4.350 -0.001 0.000 0.244 192 T C 0.359 175.038 174.700 -0.035 0.000 1.016 192 T CA 0.345 62.446 62.100 0.001 0.000 1.098 192 T CB 0.319 69.197 68.868 0.017 0.000 0.954 192 T HN 0.493 nan 8.240 nan 0.000 0.469 193 K N 0.591 120.943 120.400 -0.080 0.000 2.527 193 K HA 0.637 4.957 4.320 -0.001 0.000 0.260 193 K C -1.836 174.585 176.600 -0.298 0.000 0.937 193 K CA -0.749 55.399 56.287 -0.231 0.000 0.826 193 K CB 2.971 35.366 32.500 -0.175 0.000 1.359 193 K HN -0.007 nan 8.250 nan 0.000 0.434 194 I N 2.798 123.074 120.570 -0.489 0.000 2.685 194 I HA 0.367 4.537 4.170 -0.001 0.000 0.289 194 I C -2.010 173.991 176.117 -0.194 0.000 1.292 194 I CA -0.372 60.824 61.300 -0.173 0.000 1.050 194 I CB 1.327 39.396 38.000 0.115 0.000 1.301 194 I HN 0.671 nan 8.210 nan 0.000 0.425 195 Y N 3.837 124.305 120.300 0.280 0.000 2.602 195 Y HA 0.543 5.093 4.550 -0.001 0.000 0.342 195 Y C 0.459 176.555 175.900 0.326 0.000 1.029 195 Y CA -1.057 57.213 58.100 0.283 0.000 1.080 195 Y CB 1.557 40.067 38.460 0.083 0.000 1.284 195 Y HN 0.357 nan 8.280 nan 0.000 0.485 196 T N 3.244 118.104 114.554 0.509 0.000 2.744 196 T HA 0.289 4.639 4.350 -0.001 0.000 0.291 196 T C 0.749 175.579 174.700 0.216 0.000 0.957 196 T CA -0.458 61.845 62.100 0.339 0.000 1.002 196 T CB 0.080 69.155 68.868 0.345 0.000 0.919 196 T HN 0.700 nan 8.240 nan 0.000 0.468 197 I N 1.108 121.776 120.570 0.163 0.000 3.914 197 I HA 0.567 4.736 4.170 -0.001 0.000 0.333 197 I C 0.111 176.281 176.117 0.087 0.000 1.449 197 I CA -0.149 61.216 61.300 0.108 0.000 1.135 197 I CB 0.206 38.260 38.000 0.088 0.000 1.073 197 I HN 0.501 nan 8.210 nan 0.000 0.401 198 S N 0.639 116.396 115.700 0.096 0.000 2.799 198 S HA 0.215 4.685 4.470 -0.001 0.000 0.303 198 S C -1.446 173.201 174.600 0.078 0.000 0.835 198 S CA -0.613 57.633 58.200 0.076 0.000 0.783 198 S CB 0.664 63.901 63.200 0.061 0.000 0.985 198 S HN 0.547 nan 8.310 nan 0.000 0.507 199 E N 1.774 122.016 120.200 0.070 0.000 2.256 199 E HA 0.679 5.029 4.350 -0.001 0.000 0.267 199 E C -0.860 175.767 176.600 0.046 0.000 0.892 199 E CA -0.857 55.580 56.400 0.061 0.000 0.775 199 E CB 2.145 31.890 29.700 0.074 0.000 1.207 199 E HN 0.634 nan 8.360 nan 0.000 0.420 200 T N 1.467 116.042 114.554 0.034 0.000 2.918 200 T HA 0.463 4.813 4.350 -0.001 0.000 0.286 200 T C -2.462 172.252 174.700 0.022 0.000 1.026 200 T CA -1.836 60.281 62.100 0.029 0.000 1.031 200 T CB 1.263 70.147 68.868 0.025 0.000 1.046 200 T HN 0.269 nan 8.240 nan 0.000 0.479 201 P HA 0.196 nan 4.420 nan 0.000 0.271 201 P C -0.629 176.675 177.300 0.006 0.000 1.216 201 P CA -0.472 62.638 63.100 0.016 0.000 0.776 201 P CB 0.308 32.017 31.700 0.016 0.000 0.881 202 E N 2.136 122.337 120.200 0.002 0.000 2.341 202 E HA 0.363 4.713 4.350 -0.001 0.000 0.256 202 E C 0.088 176.683 176.600 -0.009 0.000 1.125 202 E CA -0.432 55.964 56.400 -0.007 0.000 0.939 202 E CB -1.057 28.637 29.700 -0.010 0.000 0.991 202 E HN 0.639 nan 8.360 nan 0.000 0.458 203 A N 3.058 125.871 122.820 -0.011 0.000 3.344 203 A HA -0.032 4.288 4.320 -0.001 0.000 0.301 203 A C -0.562 177.005 177.584 -0.029 0.000 1.145 203 A CA -0.489 51.535 52.037 -0.021 0.000 0.709 203 A CB -1.869 17.118 19.000 -0.023 0.000 1.472 203 A HN 0.478 nan 8.150 nan 0.000 0.370 204 L N 1.869 123.074 121.223 -0.031 0.000 2.469 204 L HA 0.588 4.927 4.340 -0.001 0.000 0.253 204 L C -0.994 175.809 176.870 -0.111 0.000 1.143 204 L CA -2.063 52.748 54.840 -0.047 0.000 0.804 204 L CB 0.110 42.158 42.059 -0.019 0.000 1.214 204 L HN 0.527 nan 8.230 nan 0.000 0.476 205 P HA 0.350 nan 4.420 nan 0.000 0.343 205 P C 0.724 177.881 177.300 -0.237 0.000 1.358 205 P CA -0.524 62.375 63.100 -0.335 0.000 0.802 205 P CB 0.420 31.642 31.700 -0.797 0.000 1.886 206 I N -3.061 117.355 120.570 -0.257 0.000 4.631 206 I HA -0.307 3.862 4.170 -0.001 0.000 0.055 206 I C 0.117 176.214 176.117 -0.032 0.000 0.621 206 I CA 1.476 62.723 61.300 -0.088 0.000 0.762 206 I CB -1.512 36.487 38.000 -0.002 0.000 0.704 206 I HN 0.283 nan 8.210 nan 0.000 0.164 207 L N -0.784 120.427 121.223 -0.019 0.000 2.492 207 L HA -0.204 4.136 4.340 -0.001 0.000 0.539 207 L C 1.095 177.989 176.870 0.040 0.000 1.002 207 L CA 0.691 55.537 54.840 0.009 0.000 1.255 207 L CB -1.041 41.015 42.059 -0.006 0.000 1.655 207 L HN 0.449 nan 8.230 nan 0.000 0.843 208 L N 2.386 123.655 121.223 0.076 0.000 1.955 208 L HA -0.243 4.097 4.340 -0.001 0.000 0.213 208 L C 2.054 178.984 176.870 0.101 0.000 1.072 208 L CA 2.479 57.386 54.840 0.112 0.000 0.755 208 L CB -0.020 42.157 42.059 0.196 0.000 0.888 208 L HN 0.745 nan 8.230 nan 0.000 0.432 209 E N 0.239 120.491 120.200 0.087 0.000 2.097 209 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 209 E C 1.647 178.257 176.600 0.018 0.000 1.000 209 E CA 1.635 58.057 56.400 0.036 0.000 0.804 209 E CB -0.021 29.668 29.700 -0.018 0.000 0.740 209 E HN 0.399 nan 8.360 nan 0.000 0.454 210 D N -0.806 119.602 120.400 0.013 0.000 2.263 210 D HA -0.116 4.524 4.640 -0.001 0.000 0.208 210 D C 1.446 177.753 176.300 0.013 0.000 0.971 210 D CA 1.150 55.153 54.000 0.004 0.000 0.867 210 D CB -0.093 40.707 40.800 -0.001 0.000 0.929 210 D HN 0.278 nan 8.370 nan 0.000 0.492 211 A N -0.080 122.759 122.820 0.031 0.000 1.911 211 A HA 0.009 4.329 4.320 -0.001 0.000 0.212 211 A C 2.304 179.912 177.584 0.039 0.000 1.189 211 A CA 0.819 52.882 52.037 0.043 0.000 0.639 211 A CB -0.230 18.808 19.000 0.063 0.000 0.839 211 A HN 0.118 nan 8.150 nan 0.000 0.449 212 S N 0.410 116.139 115.700 0.047 0.000 2.368 212 S HA -0.103 4.366 4.470 -0.001 0.000 0.225 212 S C 1.267 175.867 174.600 0.001 0.000 1.030 212 S CA 0.942 59.168 58.200 0.044 0.000 0.999 212 S CB -0.440 62.803 63.200 0.072 0.000 0.844 212 S HN 0.775 nan 8.310 nan 0.000 0.459 213 R N 2.804 123.296 120.500 -0.012 0.000 2.623 213 R HA 0.192 4.532 4.340 -0.001 0.000 0.271 213 R C -0.155 176.097 176.300 -0.079 0.000 1.043 213 R CA 0.086 56.163 56.100 -0.039 0.000 1.083 213 R CB 0.171 30.451 30.300 -0.033 0.000 0.974 213 R HN 0.216 nan 8.270 nan 0.000 0.436 214 S N 2.076 117.715 115.700 -0.102 0.000 2.584 214 S HA 0.066 4.535 4.470 -0.001 0.000 0.273 214 S C 0.759 175.288 174.600 -0.118 0.000 1.311 214 S CA -0.870 57.235 58.200 -0.159 0.000 1.034 214 S CB 1.669 64.777 63.200 -0.155 0.000 0.939 214 S HN 0.781 nan 8.310 nan 0.000 0.513 215 E N 1.504 121.624 120.200 -0.133 0.000 2.284 215 E HA -0.241 4.109 4.350 -0.001 0.000 0.200 215 E C 2.021 178.582 176.600 -0.065 0.000 1.008 215 E CA 1.470 57.818 56.400 -0.087 0.000 0.829 215 E CB -0.592 29.059 29.700 -0.082 0.000 0.744 215 E HN 0.806 nan 8.360 nan 0.000 0.491 216 A N 1.486 124.264 122.820 -0.070 0.000 1.826 216 A HA -0.149 4.171 4.320 -0.001 0.000 0.214 216 A C 2.083 179.641 177.584 -0.044 0.000 1.212 216 A CA 1.022 53.029 52.037 -0.051 0.000 0.605 216 A CB -0.387 18.583 19.000 -0.050 0.000 0.861 216 A HN 0.037 nan 8.150 nan 0.000 0.447 217 E N 0.223 120.396 120.200 -0.046 0.000 2.401 217 E HA -0.054 4.295 4.350 -0.001 0.000 0.199 217 E C 1.913 178.491 176.600 -0.037 0.000 1.023 217 E CA 0.899 57.276 56.400 -0.038 0.000 0.859 217 E CB -0.253 29.424 29.700 -0.038 0.000 0.780 217 E HN 0.492 nan 8.360 nan 0.000 0.523 218 A N 0.564 123.360 122.820 -0.041 0.000 1.844 218 A HA -0.096 4.223 4.320 -0.001 0.000 0.212 218 A C 2.105 179.670 177.584 -0.031 0.000 1.221 218 A CA 1.189 53.204 52.037 -0.036 0.000 0.607 218 A CB -0.478 18.498 19.000 -0.040 0.000 0.878 218 A HN 0.252 nan 8.150 nan 0.000 0.451 219 E N -0.233 119.948 120.200 -0.031 0.000 2.265 219 E HA -0.071 4.279 4.350 -0.001 0.000 0.196 219 E C 1.480 178.066 176.600 -0.023 0.000 0.996 219 E CA 0.782 57.167 56.400 -0.025 0.000 0.832 219 E CB -0.140 29.545 29.700 -0.025 0.000 0.756 219 E HN 0.534 nan 8.360 nan 0.000 0.491 220 A N -0.503 122.302 122.820 -0.025 0.000 2.345 220 A HA 0.438 4.757 4.320 -0.001 0.000 0.225 220 A C 1.420 178.990 177.584 -0.023 0.000 1.243 220 A CA 0.588 52.611 52.037 -0.023 0.000 0.875 220 A CB 0.342 19.328 19.000 -0.023 0.000 0.929 220 A HN 0.261 nan 8.150 nan 0.000 0.502 221 A N -2.785 120.021 122.820 -0.024 0.000 2.600 221 A HA 0.487 4.807 4.320 -0.001 0.000 0.252 221 A C 1.627 179.197 177.584 -0.023 0.000 1.200 221 A CA 0.927 52.950 52.037 -0.024 0.000 0.981 221 A CB -0.180 18.804 19.000 -0.027 0.000 1.207 221 A HN 1.698 nan 8.150 nan 0.000 0.577 222 G N 0.093 108.880 108.800 -0.021 0.000 2.396 222 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.242 222 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.242 222 G C 0.451 175.339 174.900 -0.020 0.000 1.069 222 G CA 0.297 45.385 45.100 -0.019 0.000 0.633 222 G HN 0.578 nan 8.290 nan 0.000 0.517 223 L N 2.608 123.817 121.223 -0.023 0.000 2.535 223 L HA 0.241 4.580 4.340 -0.001 0.000 0.301 223 L C -1.044 175.813 176.870 -0.021 0.000 1.275 223 L CA -0.385 54.441 54.840 -0.023 0.000 0.843 223 L CB -0.143 41.900 42.059 -0.026 0.000 1.094 223 L HN 0.276 nan 8.230 nan 0.000 0.532 224 P HA 0.390 nan 4.420 nan 0.000 0.287 224 P C -1.442 175.848 177.300 -0.016 0.000 1.292 224 P CA -0.497 62.593 63.100 -0.016 0.000 0.879 224 P CB 2.411 34.103 31.700 -0.013 0.000 1.214 225 V N 1.387 121.293 119.914 -0.013 0.000 2.569 225 V HA 0.227 4.347 4.120 -0.001 0.000 0.301 225 V C -0.502 175.594 176.094 0.003 0.000 1.044 225 V CA -0.951 61.342 62.300 -0.011 0.000 0.874 225 V CB 1.868 33.675 31.823 -0.026 0.000 1.002 225 V HN 0.295 nan 8.190 nan 0.000 0.424 226 V N 6.588 126.511 119.914 0.015 0.000 2.694 226 V HA 0.179 4.299 4.120 -0.001 0.000 0.306 226 V C 0.642 176.762 176.094 0.043 0.000 1.054 226 V CA -0.258 62.062 62.300 0.033 0.000 1.161 226 V CB 0.073 31.926 31.823 0.050 0.000 0.916 226 V HN 0.904 nan 8.190 nan 0.000 0.490 227 N N 2.478 121.208 118.700 0.049 0.000 2.503 227 N HA 0.214 4.954 4.740 -0.001 0.000 0.267 227 N C 0.739 176.291 175.510 0.070 0.000 1.214 227 N CA -0.621 52.460 53.050 0.053 0.000 0.959 227 N CB 0.831 39.347 38.487 0.048 0.000 1.142 227 N HN 0.685 nan 8.380 nan 0.000 0.455 228 L N 1.191 122.456 121.223 0.071 0.000 1.978 228 L HA -0.255 4.084 4.340 -0.001 0.000 0.218 228 L C 1.750 178.665 176.870 0.075 0.000 1.075 228 L CA 1.987 56.874 54.840 0.078 0.000 0.767 228 L CB -0.540 41.563 42.059 0.073 0.000 0.890 228 L HN 0.660 nan 8.230 nan 0.000 0.434 229 D N -1.365 119.075 120.400 0.067 0.000 2.106 229 D HA -0.260 4.379 4.640 -0.001 0.000 0.191 229 D C 1.970 178.316 176.300 0.076 0.000 0.997 229 D CA 2.496 56.533 54.000 0.063 0.000 0.834 229 D CB 0.008 40.842 40.800 0.055 0.000 0.956 229 D HN 0.654 nan 8.370 nan 0.000 0.448 230 T N -1.468 113.147 114.554 0.103 0.000 2.915 230 T HA -0.069 4.281 4.350 -0.001 0.000 0.269 230 T C 2.015 176.845 174.700 0.217 0.000 1.071 230 T CA 0.603 62.806 62.100 0.172 0.000 1.132 230 T CB -0.253 68.725 68.868 0.183 0.000 0.878 230 T HN 0.135 nan 8.240 nan 0.000 0.479 231 R N 0.433 121.022 120.500 0.148 0.000 2.115 231 R HA 0.195 4.534 4.340 -0.001 0.000 0.230 231 R C 2.449 178.819 176.300 0.117 0.000 1.111 231 R CA 1.093 57.280 56.100 0.145 0.000 0.976 231 R CB -0.484 29.881 30.300 0.109 0.000 0.870 231 R HN 0.401 nan 8.270 nan 0.000 0.445 232 L N 0.384 121.653 121.223 0.076 0.000 2.095 232 L HA -0.109 4.231 4.340 -0.001 0.000 0.204 232 L C 1.434 178.296 176.870 -0.014 0.000 1.080 232 L CA 0.931 55.795 54.840 0.040 0.000 0.759 232 L CB -0.372 41.711 42.059 0.040 0.000 0.914 232 L HN 0.065 nan 8.230 nan 0.000 0.439 233 D N -0.433 119.918 120.400 -0.081 0.000 2.311 233 D HA -0.180 4.459 4.640 -0.001 0.000 0.212 233 D C 0.386 176.230 176.300 -0.761 0.000 0.972 233 D CA 1.446 55.230 54.000 -0.360 0.000 0.887 233 D CB 0.006 40.575 40.800 -0.385 0.000 0.915 233 D HN 0.374 nan 8.370 nan 0.000 0.497 234 Y N -0.934 119.400 120.300 0.057 0.000 2.666 234 Y HA 0.254 4.803 4.550 -0.001 0.000 0.264 234 Y C 1.479 177.415 175.900 0.060 0.000 1.054 234 Y CA -0.699 57.434 58.100 0.055 0.000 1.121 234 Y CB 0.398 38.884 38.460 0.043 0.000 1.190 234 Y HN -0.315 nan 8.280 nan 0.000 0.587 235 R N 0.607 121.159 120.500 0.088 0.000 2.174 235 R HA -0.151 4.188 4.340 -0.001 0.000 0.253 235 R C 1.557 177.893 176.300 0.061 0.000 1.165 235 R CA 1.611 57.748 56.100 0.061 0.000 0.984 235 R CB -0.606 29.725 30.300 0.050 0.000 0.873 235 R HN 0.385 nan 8.270 nan 0.000 0.456 236 V N -0.145 119.847 119.914 0.131 0.000 2.515 236 V HA -0.179 3.941 4.120 -0.001 0.000 0.250 236 V C 2.319 178.467 176.094 0.090 0.000 1.058 236 V CA 1.552 63.927 62.300 0.125 0.000 1.064 236 V CB -0.429 31.480 31.823 0.142 0.000 0.675 236 V HN 0.163 nan 8.190 nan 0.000 0.461 237 I N -0.024 120.614 120.570 0.113 0.000 2.494 237 I HA -0.087 4.082 4.170 -0.001 0.000 0.250 237 I C 2.428 178.589 176.117 0.073 0.000 1.112 237 I CA 1.233 62.588 61.300 0.092 0.000 1.438 237 I CB -0.385 37.680 38.000 0.107 0.000 1.111 237 I HN 0.236 nan 8.210 nan 0.000 0.431 238 D N 1.375 121.826 120.400 0.086 0.000 2.106 238 D HA -0.176 4.463 4.640 -0.001 0.000 0.191 238 D C 1.976 178.309 176.300 0.056 0.000 0.997 238 D CA 1.438 55.484 54.000 0.076 0.000 0.834 238 D CB -0.025 40.826 40.800 0.085 0.000 0.956 238 D HN 0.027 nan 8.370 nan 0.000 0.448 239 L N 0.879 122.114 121.223 0.021 0.000 2.651 239 L HA -0.073 4.266 4.340 -0.001 0.000 0.236 239 L C 2.264 179.147 176.870 0.021 0.000 1.173 239 L CA 0.966 55.806 54.840 -0.000 0.000 0.843 239 L CB -0.815 41.173 42.059 -0.118 0.000 0.964 239 L HN 0.102 nan 8.230 nan 0.000 0.454 240 R N -0.886 119.630 120.500 0.026 0.000 2.210 240 R HA 0.036 4.375 4.340 -0.001 0.000 0.203 240 R C 0.883 177.190 176.300 0.012 0.000 1.010 240 R CA 0.464 56.571 56.100 0.013 0.000 1.008 240 R CB -0.112 30.189 30.300 0.002 0.000 0.923 240 R HN 0.485 nan 8.270 nan 0.000 0.469 241 T N -1.351 113.226 114.554 0.038 0.000 2.930 241 T HA 0.046 4.395 4.350 -0.001 0.000 0.306 241 T C 1.758 176.489 174.700 0.051 0.000 1.045 241 T CA -0.523 61.606 62.100 0.049 0.000 1.134 241 T CB 1.423 70.337 68.868 0.076 0.000 0.961 241 T HN -0.193 nan 8.240 nan 0.000 0.545 242 V N 3.648 123.590 119.914 0.046 0.000 2.277 242 V HA -0.262 3.857 4.120 -0.001 0.000 0.253 242 V C 2.956 179.070 176.094 0.033 0.000 1.067 242 V CA 2.713 65.035 62.300 0.037 0.000 1.047 242 V CB -1.691 30.159 31.823 0.044 0.000 0.649 242 V HN 1.108 nan 8.190 nan 0.000 0.447 243 T N 0.314 114.902 114.554 0.057 0.000 2.580 243 T HA -0.254 4.095 4.350 -0.001 0.000 0.265 243 T C 1.822 176.539 174.700 0.028 0.000 1.063 243 T CA 1.931 64.068 62.100 0.062 0.000 1.170 243 T CB -0.546 68.411 68.868 0.149 0.000 0.863 243 T HN 0.415 nan 8.240 nan 0.000 0.418 244 N N 1.218 119.960 118.700 0.070 0.000 2.205 244 N HA -0.073 4.666 4.740 -0.001 0.000 0.186 244 N C 1.690 177.306 175.510 0.177 0.000 1.015 244 N CA 0.839 53.961 53.050 0.119 0.000 0.862 244 N CB -0.296 38.297 38.487 0.178 0.000 0.986 244 N HN 0.487 nan 8.380 nan 0.000 0.429 245 Q N -0.753 119.110 119.800 0.105 0.000 2.329 245 Q HA 0.209 4.548 4.340 -0.001 0.000 0.208 245 Q C 0.615 176.643 176.000 0.047 0.000 0.934 245 Q CA 0.098 55.960 55.803 0.097 0.000 0.951 245 Q CB 0.429 29.200 28.738 0.055 0.000 1.017 245 Q HN 0.364 nan 8.270 nan 0.000 0.490 246 A N -0.416 122.400 122.820 -0.006 0.000 1.933 246 A HA 0.149 4.469 4.320 -0.001 0.000 0.198 246 A C 1.690 179.185 177.584 -0.147 0.000 1.617 246 A CA -0.192 51.806 52.037 -0.065 0.000 1.039 246 A CB -0.043 18.907 19.000 -0.084 0.000 1.066 246 A HN 0.232 nan 8.150 nan 0.000 0.484 247 I N -0.475 119.958 120.570 -0.228 0.000 2.399 247 I HA -0.258 3.911 4.170 -0.001 0.000 0.254 247 I C 1.801 177.535 176.117 -0.638 0.000 1.146 247 I CA 1.520 62.546 61.300 -0.456 0.000 1.412 247 I CB -0.279 37.353 38.000 -0.612 0.000 1.076 247 I HN 0.325 nan 8.210 nan 0.000 0.432 248 F N -0.010 119.869 119.950 -0.119 0.000 2.619 248 F HA 0.052 4.579 4.527 -0.001 0.000 0.293 248 F C 2.418 178.137 175.800 -0.135 0.000 1.119 248 F CA 0.285 58.212 58.000 -0.122 0.000 1.445 248 F CB -0.289 38.650 39.000 -0.102 0.000 1.119 248 F HN -0.131 nan 8.300 nan 0.000 0.573 249 R N 0.985 121.474 120.500 -0.020 0.000 2.189 249 R HA 0.022 4.362 4.340 -0.001 0.000 0.218 249 R C 1.694 177.797 176.300 -0.328 0.000 1.074 249 R CA 1.259 57.318 56.100 -0.069 0.000 0.991 249 R CB -0.850 29.453 30.300 0.004 0.000 0.883 249 R HN 0.332 nan 8.270 nan 0.000 0.457 250 I N -0.313 120.019 120.570 -0.397 0.000 2.296 250 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 250 I C 2.409 178.246 176.117 -0.467 0.000 1.087 250 I CA 0.926 61.850 61.300 -0.627 0.000 1.393 250 I CB -0.288 37.469 38.000 -0.405 0.000 1.093 250 I HN 0.288 nan 8.210 nan 0.000 0.421 251 Q N 0.851 120.469 119.800 -0.303 0.000 2.217 251 Q HA -0.285 4.055 4.340 -0.001 0.000 0.209 251 Q C 2.185 178.100 176.000 -0.143 0.000 0.988 251 Q CA 2.063 57.751 55.803 -0.192 0.000 0.878 251 Q CB -0.055 28.630 28.738 -0.089 0.000 0.909 251 Q HN 0.591 nan 8.270 nan 0.000 0.424 252 A N 0.264 123.006 122.820 -0.130 0.000 1.832 252 A HA -0.106 4.213 4.320 -0.001 0.000 0.214 252 A C 2.277 179.791 177.584 -0.118 0.000 1.200 252 A CA 1.616 53.608 52.037 -0.075 0.000 0.610 252 A CB -1.516 17.466 19.000 -0.030 0.000 0.842 252 A HN 0.562 nan 8.150 nan 0.000 0.444 253 G N -0.279 108.352 108.800 -0.282 0.000 2.624 253 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.221 253 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.221 253 G C 1.564 176.403 174.900 -0.102 0.000 1.169 253 G CA 1.737 46.696 45.100 -0.235 0.000 0.771 253 G HN 0.363 nan 8.290 nan 0.000 0.598 254 V N 1.272 121.067 119.914 -0.199 0.000 2.219 254 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 254 V C 2.273 178.324 176.094 -0.071 0.000 1.053 254 V CA 1.632 63.850 62.300 -0.137 0.000 1.009 254 V CB -0.757 30.963 31.823 -0.171 0.000 0.636 254 V HN 0.755 nan 8.190 nan 0.000 0.445 255 C N 1.228 120.469 119.300 -0.099 0.000 2.183 255 C HA 0.687 5.147 4.460 -0.001 0.000 0.409 255 C C 0.802 175.789 174.990 -0.005 0.000 1.022 255 C CA 0.188 59.143 59.018 -0.106 0.000 1.367 255 C CB -0.851 26.766 27.740 -0.204 0.000 1.650 255 C HN 0.817 nan 8.230 nan 0.000 0.499 256 E N 1.437 121.678 120.200 0.069 0.000 1.237 256 E HA -0.048 4.301 4.350 -0.001 0.000 0.205 256 E C 0.430 177.120 176.600 0.150 0.000 0.979 256 E CA -0.196 56.266 56.400 0.103 0.000 0.945 256 E CB -0.913 28.848 29.700 0.101 0.000 4.739 256 E HN 0.455 nan 8.360 nan 0.000 0.646 257 L N 0.320 121.639 121.223 0.159 0.000 2.145 257 L HA 0.281 4.621 4.340 -0.001 0.000 0.201 257 L C 2.254 179.290 176.870 0.277 0.000 1.075 257 L CA 1.221 56.210 54.840 0.249 0.000 0.773 257 L CB -0.420 41.697 42.059 0.097 0.000 0.936 257 L HN 0.182 nan 8.230 nan 0.000 0.451 258 F N 1.130 121.054 119.950 -0.043 0.000 2.154 258 F HA -0.251 4.275 4.527 -0.001 0.000 0.301 258 F C 2.614 178.242 175.800 -0.286 0.000 1.087 258 F CA 1.568 59.462 58.000 -0.177 0.000 1.274 258 F CB -0.156 38.688 39.000 -0.261 0.000 1.009 258 F HN -0.106 nan 8.300 nan 0.000 0.485 259 R N 0.143 120.670 120.500 0.044 0.000 2.055 259 R HA -0.169 4.170 4.340 -0.001 0.000 0.228 259 R C 2.301 178.521 176.300 -0.134 0.000 1.143 259 R CA 1.552 57.549 56.100 -0.171 0.000 0.945 259 R CB -0.761 29.555 30.300 0.027 0.000 0.841 259 R HN 0.433 nan 8.270 nan 0.000 0.429 260 E N 0.090 120.299 120.200 0.015 0.000 2.114 260 E HA -0.295 4.055 4.350 -0.001 0.000 0.199 260 E C 1.789 178.314 176.600 -0.125 0.000 1.008 260 E CA 1.743 58.159 56.400 0.027 0.000 0.810 260 E CB -0.230 29.579 29.700 0.183 0.000 0.739 260 E HN 0.385 nan 8.360 nan 0.000 0.456 261 Y N 0.116 120.193 120.300 -0.371 0.000 2.206 261 Y HA -0.071 4.478 4.550 -0.001 0.000 0.292 261 Y C 1.880 177.506 175.900 -0.457 0.000 1.123 261 Y CA 0.945 58.689 58.100 -0.594 0.000 1.142 261 Y CB -0.372 37.655 38.460 -0.722 0.000 1.006 261 Y HN 0.094 nan 8.280 nan 0.000 0.518 262 L N 0.751 121.540 121.223 -0.724 0.000 2.187 262 L HA -0.158 4.182 4.340 -0.001 0.000 0.213 262 L C 2.561 179.218 176.870 -0.354 0.000 1.100 262 L CA 1.773 56.066 54.840 -0.912 0.000 0.765 262 L CB -1.630 39.714 42.059 -1.191 0.000 0.904 262 L HN 0.426 nan 8.230 nan 0.000 0.437 263 A N -2.079 120.625 122.820 -0.195 0.000 1.898 263 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 263 A C 2.375 179.919 177.584 -0.066 0.000 1.181 263 A CA 2.048 54.075 52.037 -0.016 0.000 0.620 263 A CB -0.882 18.120 19.000 0.003 0.000 0.819 263 A HN 0.365 nan 8.150 nan 0.000 0.442 264 T N -0.228 114.208 114.554 -0.196 0.000 2.881 264 T HA -0.063 4.287 4.350 -0.001 0.000 0.270 264 T C 1.200 175.801 174.700 -0.165 0.000 1.068 264 T CA 1.276 63.262 62.100 -0.189 0.000 1.131 264 T CB -0.153 68.562 68.868 -0.255 0.000 0.871 264 T HN 0.239 nan 8.240 nan 0.000 0.479 265 K N 1.264 121.554 120.400 -0.183 0.000 2.577 265 K HA 0.151 4.470 4.320 -0.001 0.000 0.210 265 K C 0.080 176.763 176.600 0.138 0.000 1.048 265 K CA -0.093 56.187 56.287 -0.013 0.000 1.188 265 K CB 0.398 32.904 32.500 0.010 0.000 0.910 265 K HN 0.151 nan 8.250 nan 0.000 0.483 266 K N 0.462 120.910 120.400 0.081 0.000 3.419 266 K HA -0.189 4.130 4.320 -0.001 0.000 0.272 266 K C -0.543 176.082 176.600 0.043 0.000 0.973 266 K CA 0.697 57.013 56.287 0.048 0.000 0.749 266 K CB -2.050 30.440 32.500 -0.017 0.000 1.403 266 K HN 0.088 nan 8.250 nan 0.000 0.456 267 F N 0.424 120.348 119.950 -0.044 0.000 2.422 267 F HA 0.275 4.802 4.527 -0.001 0.000 0.333 267 F C 1.268 177.014 175.800 -0.090 0.000 1.095 267 F CA -0.409 57.575 58.000 -0.027 0.000 1.038 267 F CB 1.470 40.514 39.000 0.074 0.000 1.156 267 F HN 0.103 nan 8.300 nan 0.000 0.483 268 T N -0.272 114.257 114.554 -0.042 0.000 2.779 268 T HA 0.318 4.668 4.350 -0.001 0.000 0.280 268 T C -0.460 173.971 174.700 -0.448 0.000 0.987 268 T CA -0.946 61.052 62.100 -0.169 0.000 0.966 268 T CB 1.312 70.137 68.868 -0.072 0.000 0.933 268 T HN 0.643 nan 8.240 nan 0.000 0.442 269 E N 2.329 122.173 120.200 -0.594 0.000 2.417 269 E HA 0.338 4.687 4.350 -0.001 0.000 0.261 269 E C 0.140 176.412 176.600 -0.547 0.000 1.000 269 E CA -0.616 55.297 56.400 -0.812 0.000 0.919 269 E CB 0.456 29.870 29.700 -0.476 0.000 0.955 269 E HN 0.672 nan 8.360 nan 0.000 0.455 270 V N 2.096 121.685 119.914 -0.540 0.000 3.103 270 V HA 0.587 4.706 4.120 -0.001 0.000 0.318 270 V C -1.042 174.763 176.094 -0.482 0.000 1.114 270 V CA -0.830 61.210 62.300 -0.434 0.000 1.020 270 V CB 1.741 33.340 31.823 -0.372 0.000 1.085 270 V HN 0.743 nan 8.190 nan 0.000 0.446 271 H N 0.791 119.795 119.070 -0.109 0.000 2.924 271 H HA 0.702 5.257 4.556 -0.001 0.000 0.333 271 H C -0.120 175.174 175.328 -0.056 0.000 0.979 271 H CA 0.135 56.148 56.048 -0.057 0.000 1.326 271 H CB 1.829 31.567 29.762 -0.039 0.000 1.600 271 H HN 1.150 nan 8.280 nan 0.000 0.520 272 T N 0.727 115.316 114.554 0.058 0.000 2.924 272 T HA 0.483 4.833 4.350 -0.001 0.000 0.291 272 T C -2.768 171.952 174.700 0.034 0.000 1.045 272 T CA -2.515 59.601 62.100 0.026 0.000 1.015 272 T CB 1.858 70.720 68.868 -0.009 0.000 1.103 272 T HN 0.245 nan 8.240 nan 0.000 0.496 273 P HA 0.178 nan 4.420 nan 0.000 0.262 273 P C -0.049 177.271 177.300 0.032 0.000 1.182 273 P CA -0.290 62.828 63.100 0.029 0.000 0.761 273 P CB 0.709 32.418 31.700 0.014 0.000 0.795 274 K N 1.977 122.417 120.400 0.066 0.000 2.334 274 K HA 0.200 4.519 4.320 -0.001 0.000 0.195 274 K C 0.876 177.529 176.600 0.088 0.000 1.045 274 K CA 0.150 56.511 56.287 0.124 0.000 1.004 274 K CB 0.056 32.724 32.500 0.281 0.000 0.837 274 K HN 0.452 nan 8.250 nan 0.000 0.510 275 L N 2.581 123.821 121.223 0.027 0.000 2.278 275 L HA 0.140 4.480 4.340 -0.001 0.000 0.287 275 L C -0.675 176.159 176.870 -0.059 0.000 1.072 275 L CA -0.565 54.250 54.840 -0.042 0.000 0.819 275 L CB 0.402 42.406 42.059 -0.092 0.000 1.176 275 L HN -0.168 nan 8.230 nan 0.000 0.435 276 L N 2.456 123.661 121.223 -0.029 0.000 2.334 276 L HA 0.453 4.792 4.340 -0.001 0.000 0.276 276 L C 1.262 178.132 176.870 0.000 0.000 1.014 276 L CA 0.112 54.935 54.840 -0.027 0.000 0.815 276 L CB 1.648 43.684 42.059 -0.039 0.000 1.268 276 L HN 0.520 nan 8.230 nan 0.000 0.428 277 G N 1.478 110.259 108.800 -0.033 0.000 2.479 277 G HA2 0.233 4.192 3.960 -0.001 0.000 0.220 277 G HA3 0.233 4.192 3.960 -0.001 0.000 0.220 277 G C 0.400 175.292 174.900 -0.014 0.000 1.115 277 G CA 1.066 46.158 45.100 -0.014 0.000 0.757 277 G HN 0.842 nan 8.290 nan 0.000 0.560 278 A N -1.047 121.691 122.820 -0.136 0.000 2.566 278 A HA 0.643 4.962 4.320 -0.001 0.000 0.290 278 A C -2.940 174.323 177.584 -0.536 0.000 1.071 278 A CA -0.952 50.794 52.037 -0.485 0.000 0.658 278 A CB 0.790 19.599 19.000 -0.318 0.000 1.285 278 A HN -0.083 nan 8.150 nan 0.000 0.427 279 P HA 0.178 nan 4.420 nan 0.000 0.244 279 P C -0.354 176.782 177.300 -0.274 0.000 1.769 279 P CA 0.208 63.054 63.100 -0.423 0.000 1.102 279 P CB -0.326 31.138 31.700 -0.394 0.000 1.937 280 S N 3.252 118.783 115.700 -0.282 0.000 2.887 280 S HA -0.094 4.375 4.470 -0.001 0.000 0.337 280 S C 1.307 175.800 174.600 -0.178 0.000 1.209 280 S CA 0.507 58.555 58.200 -0.254 0.000 1.186 280 S CB -0.406 62.432 63.200 -0.604 0.000 0.925 280 S HN 0.580 nan 8.310 nan 0.000 0.522 281 E N 2.635 122.814 120.200 -0.036 0.000 4.666 281 E HA -0.266 4.083 4.350 -0.001 0.000 0.159 281 E C 0.712 177.295 176.600 -0.028 0.000 1.083 281 E CA 2.125 58.536 56.400 0.019 0.000 2.496 281 E CB -1.555 28.245 29.700 0.167 0.000 1.689 281 E HN 1.577 nan 8.360 nan 0.000 0.531 282 G N -0.402 108.356 108.800 -0.070 0.000 2.226 282 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.176 282 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.176 282 G C 1.104 175.979 174.900 -0.042 0.000 1.042 282 G CA 0.961 46.022 45.100 -0.064 0.000 0.732 282 G HN 1.095 nan 8.290 nan 0.000 0.494 283 G N 0.125 108.895 108.800 -0.050 0.000 2.740 283 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.224 283 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.224 283 G C 1.100 175.978 174.900 -0.037 0.000 1.156 283 G CA 1.836 46.918 45.100 -0.029 0.000 0.766 283 G HN 1.864 nan 8.290 nan 0.000 0.623 284 S N -1.776 113.883 115.700 -0.068 0.000 2.606 284 S HA 0.466 4.935 4.470 -0.001 0.000 0.156 284 S C 0.896 175.429 174.600 -0.112 0.000 1.308 284 S CA 0.707 58.858 58.200 -0.083 0.000 1.228 284 S CB -0.365 62.775 63.200 -0.101 0.000 1.568 284 S HN 0.765 nan 8.310 nan 0.000 0.397 285 S N -0.030 115.629 115.700 -0.068 0.000 1.891 285 S HA -0.252 4.218 4.470 -0.001 0.000 0.224 285 S C 0.280 174.857 174.600 -0.039 0.000 0.993 285 S CA 1.235 59.406 58.200 -0.049 0.000 1.595 285 S CB -1.939 61.226 63.200 -0.059 0.000 2.103 285 S HN 1.867 nan 8.310 nan 0.000 0.555 286 V N 0.590 120.424 119.914 -0.132 0.000 3.584 286 V HA -0.214 3.906 4.120 -0.001 0.000 0.512 286 V C -0.015 176.064 176.094 -0.026 0.000 0.682 286 V CA 0.745 62.989 62.300 -0.093 0.000 2.064 286 V CB -0.900 30.975 31.823 0.085 0.000 2.486 286 V HN 0.486 nan 8.190 nan 0.000 0.511 287 F N 2.706 122.657 119.950 0.001 0.000 2.472 287 F HA 0.426 4.952 4.527 -0.001 0.000 0.364 287 F C 0.823 176.511 175.800 -0.188 0.000 1.090 287 F CA -0.322 57.627 58.000 -0.086 0.000 1.188 287 F CB 0.822 39.743 39.000 -0.132 0.000 1.105 287 F HN 0.730 nan 8.300 nan 0.000 0.536 288 E N 3.170 123.338 120.200 -0.052 0.000 2.180 288 E HA 0.408 4.757 4.350 -0.001 0.000 0.283 288 E C -1.215 175.230 176.600 -0.258 0.000 1.061 288 E CA -0.342 55.839 56.400 -0.366 0.000 0.861 288 E CB 0.772 30.290 29.700 -0.305 0.000 1.056 288 E HN 0.407 nan 8.360 nan 0.000 0.407 289 V N 4.110 123.852 119.914 -0.286 0.000 2.532 289 V HA 0.245 4.364 4.120 -0.001 0.000 0.295 289 V C 0.145 176.170 176.094 -0.116 0.000 1.041 289 V CA -0.724 61.475 62.300 -0.168 0.000 0.926 289 V CB 1.870 33.622 31.823 -0.117 0.000 0.992 289 V HN 0.867 nan 8.190 nan 0.000 0.457 290 T N 1.934 116.443 114.554 -0.075 0.000 2.723 290 T HA 0.423 4.772 4.350 -0.001 0.000 0.297 290 T C -0.798 173.923 174.700 0.034 0.000 0.925 290 T CA -0.287 61.795 62.100 -0.030 0.000 1.030 290 T CB -0.079 68.753 68.868 -0.060 0.000 0.905 290 T HN 0.434 nan 8.240 nan 0.000 0.502 291 Y N 3.915 124.192 120.300 -0.038 0.000 2.328 291 Y HA 0.435 4.984 4.550 -0.001 0.000 0.337 291 Y C -0.028 175.978 175.900 0.177 0.000 1.008 291 Y CA -2.212 55.924 58.100 0.061 0.000 1.129 291 Y CB 0.350 38.890 38.460 0.134 0.000 1.185 291 Y HN 0.689 nan 8.280 nan 0.000 0.476 292 F N 5.694 125.477 119.950 -0.279 0.000 1.957 292 F HA -0.317 4.209 4.527 -0.001 0.000 0.219 292 F C 1.062 176.826 175.800 -0.060 0.000 1.027 292 F CA 1.240 59.127 58.000 -0.188 0.000 0.655 292 F CB -0.748 38.093 39.000 -0.264 0.000 0.551 292 F HN 0.647 nan 8.300 nan 0.000 0.662 293 K N -0.765 119.704 120.400 0.115 0.000 3.281 293 K HA -0.140 4.180 4.320 -0.001 0.000 0.295 293 K C 0.530 177.190 176.600 0.100 0.000 1.233 293 K CA 0.746 57.085 56.287 0.086 0.000 0.866 293 K CB -1.305 31.241 32.500 0.076 0.000 1.265 293 K HN 1.094 nan 8.250 nan 0.000 0.482 294 G N -0.694 108.186 108.800 0.132 0.000 2.559 294 G HA2 0.419 4.379 3.960 -0.001 0.000 0.291 294 G HA3 0.419 4.379 3.960 -0.001 0.000 0.291 294 G C -1.047 173.942 174.900 0.149 0.000 1.424 294 G CA -1.009 44.175 45.100 0.140 0.000 0.786 294 G HN -0.102 nan 8.290 nan 0.000 0.485 295 K N -0.572 119.902 120.400 0.123 0.000 2.525 295 K HA 0.853 5.172 4.320 -0.001 0.000 0.262 295 K C 0.304 176.943 176.600 0.065 0.000 1.049 295 K CA 0.425 56.742 56.287 0.049 0.000 0.961 295 K CB 0.655 33.220 32.500 0.107 0.000 1.258 295 K HN 1.778 nan 8.250 nan 0.000 0.501 296 A N -0.770 122.001 122.820 -0.082 0.000 2.555 296 A HA 0.474 4.794 4.320 -0.001 0.000 0.299 296 A C -2.067 175.375 177.584 -0.237 0.000 0.962 296 A CA -0.873 51.149 52.037 -0.026 0.000 0.646 296 A CB 0.201 19.090 19.000 -0.185 0.000 1.327 296 A HN 0.439 nan 8.150 nan 0.000 0.428 297 Y N -0.647 119.604 120.300 -0.080 0.000 2.553 297 Y HA 0.682 5.232 4.550 -0.001 0.000 0.347 297 Y C -0.139 175.732 175.900 -0.049 0.000 1.019 297 Y CA -0.958 57.114 58.100 -0.048 0.000 1.032 297 Y CB 1.800 40.229 38.460 -0.053 0.000 1.284 297 Y HN 0.676 nan 8.280 nan 0.000 0.466 298 L N 2.362 123.640 121.223 0.091 0.000 2.312 298 L HA 0.669 5.009 4.340 -0.001 0.000 0.281 298 L C 0.301 177.260 176.870 0.148 0.000 1.070 298 L CA -0.897 53.996 54.840 0.089 0.000 0.805 298 L CB 1.103 43.148 42.059 -0.024 0.000 1.174 298 L HN 0.833 nan 8.230 nan 0.000 0.434 299 A N 3.198 126.115 122.820 0.162 0.000 2.484 299 A HA 0.112 4.431 4.320 -0.001 0.000 0.268 299 A C 0.967 178.556 177.584 0.009 0.000 1.114 299 A CA -0.348 51.713 52.037 0.040 0.000 0.780 299 A CB 0.264 19.259 19.000 -0.007 0.000 1.061 299 A HN 0.813 nan 8.150 nan 0.000 0.505 300 Q N 0.994 120.750 119.800 -0.073 0.000 2.291 300 Q HA -0.003 4.336 4.340 -0.001 0.000 0.205 300 Q C 0.511 176.427 176.000 -0.141 0.000 0.970 300 Q CA 1.348 57.087 55.803 -0.107 0.000 0.876 300 Q CB -0.013 28.663 28.738 -0.104 0.000 0.935 300 Q HN 0.788 nan 8.270 nan 0.000 0.455 301 S N -0.334 115.279 115.700 -0.145 0.000 2.606 301 S HA 0.227 4.696 4.470 -0.001 0.000 0.290 301 S C -2.768 171.763 174.600 -0.116 0.000 1.103 301 S CA -0.963 57.161 58.200 -0.127 0.000 0.870 301 S CB 1.489 64.648 63.200 -0.068 0.000 1.077 301 S HN -0.112 nan 8.310 nan 0.000 0.448 302 P HA 0.117 nan 4.420 nan 0.000 0.254 302 P C 0.762 178.061 177.300 -0.002 0.000 1.631 302 P CA -0.064 63.008 63.100 -0.046 0.000 0.861 302 P CB 0.311 31.989 31.700 -0.035 0.000 1.663 303 Q N 0.125 119.921 119.800 -0.007 0.000 1.917 303 Q HA -0.140 4.200 4.340 -0.001 0.000 0.205 303 Q C 1.700 177.786 176.000 0.142 0.000 0.988 303 Q CA 1.692 57.516 55.803 0.035 0.000 0.851 303 Q CB -0.882 27.850 28.738 -0.009 0.000 0.916 303 Q HN 0.218 nan 8.270 nan 0.000 0.424 304 F N 1.678 121.479 119.950 -0.248 0.000 2.063 304 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 304 F C 2.167 177.963 175.800 -0.007 0.000 1.109 304 F CA 1.278 59.176 58.000 -0.171 0.000 1.212 304 F CB -1.391 37.444 39.000 -0.274 0.000 0.973 304 F HN 0.242 nan 8.300 nan 0.000 0.480 305 N N 0.246 119.046 118.700 0.167 0.000 2.205 305 N HA -0.148 4.592 4.740 -0.001 0.000 0.186 305 N C 1.804 177.347 175.510 0.055 0.000 1.015 305 N CA 0.877 53.977 53.050 0.082 0.000 0.862 305 N CB -0.274 38.231 38.487 0.030 0.000 0.986 305 N HN 0.167 nan 8.380 nan 0.000 0.429 306 K N 1.297 121.737 120.400 0.066 0.000 2.062 306 K HA -0.000 4.319 4.320 -0.001 0.000 0.205 306 K C 2.068 178.703 176.600 0.058 0.000 1.051 306 K CA 0.862 57.182 56.287 0.055 0.000 0.941 306 K CB -0.369 32.179 32.500 0.079 0.000 0.719 306 K HN 0.382 nan 8.250 nan 0.000 0.440 307 Q N 0.317 120.179 119.800 0.105 0.000 2.016 307 Q HA -0.170 4.169 4.340 -0.001 0.000 0.200 307 Q C 2.102 178.089 176.000 -0.023 0.000 0.978 307 Q CA 1.367 57.222 55.803 0.086 0.000 0.833 307 Q CB -0.086 28.859 28.738 0.346 0.000 0.895 307 Q HN 0.159 nan 8.270 nan 0.000 0.427 308 Q N 0.115 119.915 119.800 -0.000 0.000 2.368 308 Q HA -0.124 4.216 4.340 -0.001 0.000 0.210 308 Q C 1.388 177.368 176.000 -0.033 0.000 0.982 308 Q CA 0.872 56.617 55.803 -0.096 0.000 0.884 308 Q CB 0.090 28.792 28.738 -0.059 0.000 0.933 308 Q HN 0.204 nan 8.270 nan 0.000 0.460 309 L N -0.979 120.254 121.223 0.017 0.000 2.446 309 L HA -0.002 4.338 4.340 -0.001 0.000 0.219 309 L C 1.399 178.349 176.870 0.133 0.000 1.116 309 L CA 0.507 55.418 54.840 0.118 0.000 0.844 309 L CB 0.042 42.109 42.059 0.013 0.000 0.970 309 L HN 0.249 nan 8.230 nan 0.000 0.457 310 I N -1.032 119.526 120.570 -0.020 0.000 2.235 310 I HA -0.123 4.046 4.170 -0.001 0.000 0.241 310 I C 2.577 178.635 176.117 -0.099 0.000 1.085 310 I CA 1.510 62.748 61.300 -0.104 0.000 1.378 310 I CB -0.859 36.935 38.000 -0.343 0.000 1.076 310 I HN 0.174 nan 8.210 nan 0.000 0.415 311 V N 0.993 120.835 119.914 -0.120 0.000 2.490 311 V HA -0.078 4.041 4.120 -0.001 0.000 0.250 311 V C 2.088 178.139 176.094 -0.072 0.000 1.061 311 V CA 1.639 63.880 62.300 -0.097 0.000 1.064 311 V CB -1.067 30.632 31.823 -0.207 0.000 0.670 311 V HN 0.299 nan 8.190 nan 0.000 0.461 312 A N -0.500 122.298 122.820 -0.036 0.000 2.265 312 A HA 0.166 4.485 4.320 -0.001 0.000 0.213 312 A C 0.862 178.365 177.584 -0.135 0.000 1.255 312 A CA 0.732 52.756 52.037 -0.022 0.000 0.862 312 A CB -1.229 17.836 19.000 0.108 0.000 0.852 312 A HN 0.810 nan 8.150 nan 0.000 0.484 313 D N -3.306 117.022 120.400 -0.120 0.000 2.870 313 D HA -0.199 4.440 4.640 -0.001 0.000 0.228 313 D C 0.156 176.284 176.300 -0.286 0.000 1.147 313 D CA 0.893 54.781 54.000 -0.186 0.000 0.757 313 D CB -1.806 38.863 40.800 -0.219 0.000 1.091 313 D HN 0.505 nan 8.370 nan 0.000 0.429 314 F N 0.095 119.995 119.950 -0.084 0.000 2.569 314 F HA 0.056 4.582 4.527 -0.001 0.000 0.295 314 F C 2.039 177.765 175.800 -0.123 0.000 1.115 314 F CA 1.056 58.999 58.000 -0.094 0.000 1.450 314 F CB 0.377 39.324 39.000 -0.088 0.000 1.107 314 F HN -0.090 nan 8.300 nan 0.000 0.563 315 E N -0.532 119.680 120.200 0.019 0.000 3.996 315 E HA -0.319 4.031 4.350 -0.001 0.000 0.192 315 E C 0.415 176.928 176.600 -0.145 0.000 1.191 315 E CA 1.356 57.715 56.400 -0.068 0.000 2.324 315 E CB -1.003 28.639 29.700 -0.098 0.000 1.801 315 E HN 0.259 nan 8.360 nan 0.000 0.390 316 R N 0.647 120.985 120.500 -0.271 0.000 2.358 316 R HA 0.591 4.930 4.340 -0.001 0.000 0.309 316 R C -0.833 175.209 176.300 -0.431 0.000 1.026 316 R CA -0.159 55.537 56.100 -0.673 0.000 0.909 316 R CB 2.061 31.587 30.300 -1.289 0.000 1.153 316 R HN 0.049 nan 8.270 nan 0.000 0.515 317 V N 4.744 124.598 119.914 -0.099 0.000 2.735 317 V HA 0.643 4.762 4.120 -0.001 0.000 0.310 317 V C -1.515 174.763 176.094 0.308 0.000 1.061 317 V CA -0.696 61.640 62.300 0.060 0.000 0.913 317 V CB 1.700 33.492 31.823 -0.053 0.000 1.005 317 V HN 0.689 nan 8.190 nan 0.000 0.428 318 Y N 2.532 122.951 120.300 0.198 0.000 2.553 318 Y HA 0.864 5.413 4.550 -0.001 0.000 0.347 318 Y C -0.812 175.132 175.900 0.073 0.000 1.019 318 Y CA -1.448 56.748 58.100 0.161 0.000 1.032 318 Y CB 1.728 40.256 38.460 0.113 0.000 1.284 318 Y HN 0.623 nan 8.280 nan 0.000 0.466 319 E N 2.989 123.409 120.200 0.366 0.000 2.278 319 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 319 E C -1.878 174.801 176.600 0.131 0.000 0.890 319 E CA -0.708 55.784 56.400 0.155 0.000 0.770 319 E CB 1.835 31.539 29.700 0.007 0.000 1.212 319 E HN 0.831 nan 8.360 nan 0.000 0.415 320 I N 3.917 124.541 120.570 0.090 0.000 2.330 320 I HA 0.581 4.750 4.170 -0.001 0.000 0.286 320 I C 0.371 176.481 176.117 -0.012 0.000 1.025 320 I CA -0.225 61.061 61.300 -0.024 0.000 1.197 320 I CB 1.391 39.372 38.000 -0.031 0.000 1.358 320 I HN 0.579 nan 8.210 nan 0.000 0.467 321 G N 6.111 114.877 108.800 -0.057 0.000 2.488 321 G HA2 0.451 4.410 3.960 -0.001 0.000 0.301 321 G HA3 0.451 4.410 3.960 -0.001 0.000 0.301 321 G C -3.241 171.556 174.900 -0.172 0.000 1.339 321 G CA -1.007 44.057 45.100 -0.061 0.000 0.803 321 G HN 0.166 nan 8.290 nan 0.000 0.482 322 P HA 0.331 nan 4.420 nan 0.000 0.267 322 P C -0.577 176.253 177.300 -0.782 0.000 1.195 322 P CA -0.019 62.768 63.100 -0.521 0.000 0.773 322 P CB 0.863 32.248 31.700 -0.525 0.000 0.837 323 V N 2.816 122.043 119.914 -1.146 0.000 2.711 323 V HA 0.343 4.462 4.120 -0.001 0.000 0.304 323 V C -0.913 174.453 176.094 -1.214 0.000 1.097 323 V CA -0.300 61.297 62.300 -1.171 0.000 0.906 323 V CB 1.474 32.439 31.823 -1.430 0.000 1.015 323 V HN 0.270 nan 8.190 nan 0.000 0.427 324 F N 3.422 123.191 119.950 -0.303 0.000 2.359 324 F HA 0.693 5.219 4.527 -0.001 0.000 0.369 324 F C 0.343 176.039 175.800 -0.175 0.000 1.084 324 F CA -0.631 57.300 58.000 -0.115 0.000 1.096 324 F CB 1.119 40.180 39.000 0.100 0.000 1.335 324 F HN 0.332 nan 8.300 nan 0.000 0.457 325 R N 1.687 122.177 120.500 -0.016 0.000 2.500 325 R HA 0.765 5.104 4.340 -0.001 0.000 0.275 325 R C 0.132 176.299 176.300 -0.221 0.000 1.051 325 R CA -0.197 55.857 56.100 -0.076 0.000 1.088 325 R CB 1.207 31.535 30.300 0.047 0.000 1.063 325 R HN 0.656 nan 8.270 nan 0.000 0.511 326 A N 2.736 125.332 122.820 -0.373 0.000 2.568 326 A HA 0.185 4.505 4.320 -0.001 0.000 0.287 326 A C -0.328 177.136 177.584 -0.199 0.000 0.967 326 A CA -0.399 51.326 52.037 -0.521 0.000 1.004 326 A CB -0.137 18.029 19.000 -1.389 0.000 1.233 326 A HN 0.627 nan 8.150 nan 0.000 0.513 327 E N 0.834 120.973 120.200 -0.101 0.000 2.343 327 E HA 0.085 4.434 4.350 -0.001 0.000 0.269 327 E C -0.748 175.865 176.600 0.021 0.000 1.047 327 E CA -0.560 55.819 56.400 -0.034 0.000 0.874 327 E CB 0.497 30.180 29.700 -0.029 0.000 1.033 327 E HN 0.295 nan 8.360 nan 0.000 0.409 328 N N 1.738 120.466 118.700 0.045 0.000 2.400 328 N HA 0.022 4.761 4.740 -0.001 0.000 0.267 328 N C -1.687 173.878 175.510 0.092 0.000 1.208 328 N CA 0.296 53.391 53.050 0.074 0.000 0.951 328 N CB 0.144 38.671 38.487 0.067 0.000 1.227 328 N HN 0.159 nan 8.380 nan 0.000 0.488 329 S N 2.814 118.586 115.700 0.120 0.000 2.652 329 S HA 0.215 4.684 4.470 -0.001 0.000 0.252 329 S C -0.424 174.269 174.600 0.155 0.000 1.219 329 S CA -0.815 57.485 58.200 0.167 0.000 1.151 329 S CB 0.224 63.601 63.200 0.294 0.000 1.080 329 S HN 0.557 nan 8.310 nan 0.000 0.481 330 N N 2.106 120.872 118.700 0.110 0.000 2.406 330 N HA 0.511 5.250 4.740 -0.001 0.000 0.251 330 N C -0.539 175.014 175.510 0.072 0.000 1.069 330 N CA 0.379 53.484 53.050 0.092 0.000 0.947 330 N CB 0.613 39.145 38.487 0.075 0.000 1.111 330 N HN 0.395 nan 8.380 nan 0.000 0.497 331 T N 0.350 114.939 114.554 0.058 0.000 2.739 331 T HA 0.097 4.446 4.350 -0.001 0.000 0.303 331 T C 0.110 174.814 174.700 0.006 0.000 1.389 331 T CA -0.593 61.501 62.100 -0.010 0.000 1.001 331 T CB 0.717 69.450 68.868 -0.225 0.000 1.436 331 T HN 0.710 nan 8.240 nan 0.000 0.500 332 H N -0.376 118.665 119.070 -0.048 0.000 2.539 332 H HA 0.376 4.931 4.556 -0.001 0.000 0.269 332 H C 1.508 176.806 175.328 -0.050 0.000 0.980 332 H CA 0.224 56.255 56.048 -0.029 0.000 1.152 332 H CB 0.137 29.892 29.762 -0.012 0.000 1.407 332 H HN 0.391 nan 8.280 nan 0.000 0.564 333 R N -0.846 119.343 120.500 -0.518 0.000 2.469 333 R HA 0.172 4.512 4.340 -0.001 0.000 0.250 333 R C -0.634 175.651 176.300 -0.025 0.000 0.909 333 R CA -0.385 55.510 56.100 -0.341 0.000 1.050 333 R CB 0.161 30.245 30.300 -0.361 0.000 1.256 333 R HN 0.228 nan 8.270 nan 0.000 0.550 334 H N 0.924 119.925 119.070 -0.114 0.000 2.541 334 H HA 0.410 4.965 4.556 -0.001 0.000 0.316 334 H C -0.465 174.867 175.328 0.006 0.000 1.043 334 H CA -0.770 55.246 56.048 -0.052 0.000 1.232 334 H CB 1.299 31.053 29.762 -0.012 0.000 1.406 334 H HN 0.048 nan 8.280 nan 0.000 0.469 335 M N 0.528 120.219 119.600 0.153 0.000 2.686 335 M HA 0.223 4.702 4.480 -0.001 0.000 0.262 335 M C 1.175 177.611 176.300 0.227 0.000 1.139 335 M CA -0.260 55.144 55.300 0.173 0.000 0.928 335 M CB 1.393 34.094 32.600 0.169 0.000 1.482 335 M HN 0.516 nan 8.290 nan 0.000 0.545 336 T N -0.870 113.836 114.554 0.253 0.000 2.975 336 T HA 0.201 4.551 4.350 -0.001 0.000 0.261 336 T C -0.901 174.003 174.700 0.340 0.000 0.984 336 T CA -0.001 62.275 62.100 0.294 0.000 0.911 336 T CB 0.239 69.293 68.868 0.310 0.000 1.127 336 T HN 0.632 nan 8.240 nan 0.000 0.514 337 E N 0.791 121.162 120.200 0.284 0.000 2.287 337 E HA 0.493 4.843 4.350 -0.001 0.000 0.274 337 E C -1.375 175.316 176.600 0.152 0.000 0.896 337 E CA -0.880 55.621 56.400 0.170 0.000 0.788 337 E CB 1.053 30.931 29.700 0.297 0.000 1.244 337 E HN 0.270 nan 8.360 nan 0.000 0.408 338 F N 0.334 120.239 119.950 -0.075 0.000 2.650 338 F HA 0.633 5.159 4.527 -0.001 0.000 0.320 338 F C -0.484 175.241 175.800 -0.125 0.000 1.091 338 F CA -1.097 56.862 58.000 -0.069 0.000 0.962 338 F CB 1.537 40.504 39.000 -0.055 0.000 1.363 338 F HN 0.153 nan 8.300 nan 0.000 0.482 339 T N 0.752 115.424 114.554 0.197 0.000 2.738 339 T HA 0.626 4.975 4.350 -0.001 0.000 0.298 339 T C 0.116 174.891 174.700 0.125 0.000 0.962 339 T CA -0.109 62.011 62.100 0.032 0.000 0.972 339 T CB -0.236 68.635 68.868 0.005 0.000 0.928 339 T HN 1.145 nan 8.240 nan 0.000 0.474 340 G N 3.776 112.577 108.800 0.002 0.000 2.507 340 G HA2 0.587 4.546 3.960 -0.001 0.000 0.271 340 G HA3 0.587 4.546 3.960 -0.001 0.000 0.271 340 G C -0.679 174.165 174.900 -0.093 0.000 1.189 340 G CA -0.795 44.335 45.100 0.050 0.000 0.859 340 G HN 0.825 nan 8.290 nan 0.000 0.542 341 L N 1.778 122.915 121.223 -0.144 0.000 2.377 341 L HA 0.325 4.664 4.340 -0.001 0.000 0.270 341 L C -1.070 175.749 176.870 -0.085 0.000 0.991 341 L CA -0.626 53.983 54.840 -0.385 0.000 0.851 341 L CB 1.633 43.208 42.059 -0.808 0.000 1.218 341 L HN 0.478 nan 8.230 nan 0.000 0.420 342 D N 4.220 124.678 120.400 0.097 0.000 2.269 342 D HA 0.783 5.422 4.640 -0.001 0.000 0.244 342 D C -0.435 176.076 176.300 0.351 0.000 0.992 342 D CA -0.335 53.783 54.000 0.196 0.000 0.894 342 D CB 2.207 43.075 40.800 0.113 0.000 1.248 342 D HN 0.375 nan 8.370 nan 0.000 0.468 343 M N -0.540 119.218 119.600 0.263 0.000 2.414 343 M HA 0.707 5.186 4.480 -0.001 0.000 0.287 343 M C -1.727 174.734 176.300 0.268 0.000 1.181 343 M CA -0.712 54.766 55.300 0.296 0.000 0.933 343 M CB 2.316 35.009 32.600 0.155 0.000 1.732 343 M HN 0.088 nan 8.290 nan 0.000 0.486 344 E N 3.107 123.496 120.200 0.314 0.000 2.308 344 E HA 0.886 5.235 4.350 -0.001 0.000 0.275 344 E C -1.790 174.959 176.600 0.249 0.000 0.890 344 E CA -0.514 56.044 56.400 0.263 0.000 0.754 344 E CB 2.022 31.842 29.700 0.199 0.000 1.207 344 E HN 0.941 nan 8.360 nan 0.000 0.426 345 M N 1.713 121.466 119.600 0.254 0.000 2.470 345 M HA 0.858 5.338 4.480 -0.001 0.000 0.285 345 M C -1.410 175.018 176.300 0.213 0.000 1.213 345 M CA -1.095 54.301 55.300 0.160 0.000 0.901 345 M CB 2.157 34.844 32.600 0.145 0.000 1.718 345 M HN 0.407 nan 8.290 nan 0.000 0.469 346 A N 2.881 125.757 122.820 0.092 0.000 2.309 346 A HA 0.750 5.069 4.320 -0.001 0.000 0.290 346 A C -0.823 176.791 177.584 0.050 0.000 1.206 346 A CA -0.554 51.494 52.037 0.019 0.000 0.850 346 A CB -0.293 18.691 19.000 -0.028 0.000 1.118 346 A HN 0.811 nan 8.150 nan 0.000 0.523 347 F N 0.549 120.557 119.950 0.097 0.000 2.541 347 F HA 0.741 5.268 4.527 -0.001 0.000 0.331 347 F C 0.724 176.568 175.800 0.074 0.000 1.057 347 F CA -1.137 56.912 58.000 0.081 0.000 0.975 347 F CB 0.783 39.839 39.000 0.094 0.000 1.246 347 F HN 0.467 nan 8.300 nan 0.000 0.484 348 E N 1.048 121.443 120.200 0.325 0.000 2.011 348 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 348 E C 1.357 178.135 176.600 0.296 0.000 0.979 348 E CA 1.833 58.360 56.400 0.210 0.000 0.822 348 E CB -0.362 29.427 29.700 0.149 0.000 0.782 348 E HN 0.914 nan 8.360 nan 0.000 0.459 349 E N -0.688 119.715 120.200 0.339 0.000 2.306 349 E HA 0.090 4.439 4.350 -0.001 0.000 0.201 349 E C 0.421 177.205 176.600 0.307 0.000 0.874 349 E CA 0.051 56.620 56.400 0.281 0.000 0.972 349 E CB 0.296 30.075 29.700 0.132 0.000 0.957 349 E HN 0.069 nan 8.360 nan 0.000 0.492 350 H N -0.127 118.920 119.070 -0.038 0.000 2.679 350 H HA 0.147 4.702 4.556 -0.001 0.000 0.360 350 H C -0.119 174.694 175.328 -0.859 0.000 1.105 350 H CA -1.442 54.372 56.048 -0.391 0.000 1.196 350 H CB 0.992 30.528 29.762 -0.377 0.000 1.636 350 H HN 0.119 nan 8.280 nan 0.000 0.531 351 Y N 2.003 121.522 120.300 -1.303 0.000 2.384 351 Y HA -0.135 4.415 4.550 -0.001 0.000 0.289 351 Y C 1.180 176.745 175.900 -0.558 0.000 1.152 351 Y CA 1.312 58.640 58.100 -1.286 0.000 1.258 351 Y CB -0.645 37.336 38.460 -0.798 0.000 0.979 351 Y HN 0.593 nan 8.280 nan 0.000 0.549 352 H N 1.044 119.604 119.070 -0.849 0.000 2.560 352 H HA -0.036 4.520 4.556 -0.001 0.000 0.283 352 H C 1.545 176.785 175.328 -0.147 0.000 1.028 352 H CA 1.025 56.844 56.048 -0.380 0.000 1.221 352 H CB -0.202 29.380 29.762 -0.301 0.000 1.363 352 H HN 0.672 nan 8.280 nan 0.000 0.594 353 E N -0.499 119.674 120.200 -0.043 0.000 2.107 353 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 353 E C 2.098 178.765 176.600 0.111 0.000 0.982 353 E CA 0.904 57.338 56.400 0.055 0.000 0.809 353 E CB 0.225 29.974 29.700 0.082 0.000 0.756 353 E HN 0.190 nan 8.360 nan 0.000 0.459 354 V N 1.547 121.523 119.914 0.104 0.000 2.255 354 V HA -0.230 3.889 4.120 -0.001 0.000 0.243 354 V C 2.352 178.548 176.094 0.170 0.000 1.038 354 V CA 1.307 63.720 62.300 0.189 0.000 1.008 354 V CB -0.463 31.500 31.823 0.233 0.000 0.645 354 V HN 0.255 nan 8.190 nan 0.000 0.449 355 L N 0.176 121.461 121.223 0.102 0.000 1.997 355 L HA -0.313 4.027 4.340 -0.001 0.000 0.216 355 L C 2.331 179.287 176.870 0.143 0.000 1.074 355 L CA 2.293 57.161 54.840 0.046 0.000 0.763 355 L CB -0.548 41.431 42.059 -0.133 0.000 0.890 355 L HN 0.392 nan 8.230 nan 0.000 0.434 356 D N -1.150 119.311 120.400 0.102 0.000 2.182 356 D HA -0.176 4.464 4.640 -0.001 0.000 0.201 356 D C 2.094 178.503 176.300 0.182 0.000 0.986 356 D CA 1.729 55.801 54.000 0.121 0.000 0.847 356 D CB -0.232 40.629 40.800 0.101 0.000 0.942 356 D HN 0.383 nan 8.370 nan 0.000 0.467 357 T N 0.517 115.194 114.554 0.204 0.000 2.777 357 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 357 T C 2.154 177.014 174.700 0.268 0.000 1.040 357 T CA 0.434 62.682 62.100 0.247 0.000 1.141 357 T CB -0.179 68.828 68.868 0.231 0.000 0.868 357 T HN 0.109 nan 8.240 nan 0.000 0.444 358 L N 0.934 122.316 121.223 0.266 0.000 1.961 358 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 358 L C 2.922 180.071 176.870 0.464 0.000 1.072 358 L CA 1.515 56.532 54.840 0.297 0.000 0.749 358 L CB -0.840 41.424 42.059 0.342 0.000 0.889 358 L HN 0.298 nan 8.230 nan 0.000 0.432 359 S N -0.490 115.570 115.700 0.599 0.000 2.392 359 S HA -0.320 4.149 4.470 -0.001 0.000 0.232 359 S C 1.912 176.694 174.600 0.303 0.000 1.041 359 S CA 2.135 60.631 58.200 0.494 0.000 1.026 359 S CB -0.313 63.041 63.200 0.258 0.000 0.845 359 S HN 0.468 nan 8.310 nan 0.000 0.465 360 E N -0.090 120.214 120.200 0.174 0.000 2.285 360 E HA -0.009 4.340 4.350 -0.001 0.000 0.194 360 E C 2.084 178.507 176.600 -0.296 0.000 0.997 360 E CA 0.459 56.871 56.400 0.020 0.000 0.845 360 E CB -0.175 29.576 29.700 0.086 0.000 0.782 360 E HN 0.606 nan 8.360 nan 0.000 0.491 361 L N 0.130 121.168 121.223 -0.308 0.000 1.961 361 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 361 L C 2.095 178.685 176.870 -0.468 0.000 1.072 361 L CA 1.468 55.924 54.840 -0.640 0.000 0.749 361 L CB -0.363 41.487 42.059 -0.349 0.000 0.889 361 L HN 0.191 nan 8.230 nan 0.000 0.432 362 F N -0.305 119.480 119.950 -0.274 0.000 2.120 362 F HA -0.238 4.288 4.527 -0.001 0.000 0.300 362 F C 2.465 177.924 175.800 -0.567 0.000 1.095 362 F CA 1.403 59.026 58.000 -0.628 0.000 1.249 362 F CB -1.044 37.442 39.000 -0.858 0.000 0.995 362 F HN -0.118 nan 8.300 nan 0.000 0.480 363 V N -0.676 119.208 119.914 -0.049 0.000 2.568 363 V HA -0.305 3.815 4.120 -0.001 0.000 0.253 363 V C 2.089 178.195 176.094 0.020 0.000 1.072 363 V CA 1.646 63.980 62.300 0.058 0.000 1.084 363 V CB -0.847 31.043 31.823 0.110 0.000 0.676 363 V HN 0.327 nan 8.190 nan 0.000 0.469 364 F N 0.137 119.929 119.950 -0.264 0.000 2.149 364 F HA -0.018 4.509 4.527 -0.001 0.000 0.294 364 F C 2.025 177.725 175.800 -0.167 0.000 1.095 364 F CA 1.238 59.093 58.000 -0.241 0.000 1.276 364 F CB -0.195 38.547 39.000 -0.430 0.000 1.023 364 F HN 0.023 nan 8.300 nan 0.000 0.480 365 I N -0.363 120.055 120.570 -0.253 0.000 2.052 365 I HA -0.369 3.801 4.170 -0.001 0.000 0.235 365 I C 2.330 178.324 176.117 -0.205 0.000 1.046 365 I CA 1.540 62.651 61.300 -0.314 0.000 1.308 365 I CB -0.670 37.118 38.000 -0.353 0.000 1.031 365 I HN 0.042 nan 8.210 nan 0.000 0.395 366 F N 1.127 120.985 119.950 -0.154 0.000 2.236 366 F HA -0.221 4.306 4.527 -0.001 0.000 0.302 366 F C 2.837 178.622 175.800 -0.026 0.000 1.073 366 F CA 1.490 59.432 58.000 -0.098 0.000 1.336 366 F CB -1.423 37.594 39.000 0.027 0.000 1.040 366 F HN 0.232 nan 8.300 nan 0.000 0.507 367 S N -1.843 113.920 115.700 0.105 0.000 2.535 367 S HA 0.069 4.538 4.470 -0.001 0.000 0.214 367 S C 1.471 176.033 174.600 -0.062 0.000 0.980 367 S CA 0.116 58.348 58.200 0.054 0.000 0.907 367 S CB 0.085 63.319 63.200 0.057 0.000 0.790 367 S HN 0.269 nan 8.310 nan 0.000 0.510 368 E N 0.959 121.043 120.200 -0.193 0.000 2.413 368 E HA 0.307 4.656 4.350 -0.001 0.000 0.203 368 E C 1.753 178.281 176.600 -0.120 0.000 0.957 368 E CA -0.011 56.229 56.400 -0.266 0.000 0.950 368 E CB -0.137 29.186 29.700 -0.630 0.000 0.957 368 E HN 0.425 nan 8.360 nan 0.000 0.497 369 L N 1.301 122.499 121.223 -0.042 0.000 1.971 369 L HA -0.184 4.155 4.340 -0.001 0.000 0.215 369 L C -0.546 176.415 176.870 0.151 0.000 1.072 369 L CA 1.973 56.875 54.840 0.103 0.000 0.758 369 L CB -1.431 40.573 42.059 -0.092 0.000 0.889 369 L HN 0.084 nan 8.230 nan 0.000 0.433 370 P HA -0.191 nan 4.420 nan 0.000 0.216 370 P C 1.215 178.546 177.300 0.050 0.000 1.153 370 P CA 1.504 64.681 63.100 0.128 0.000 0.858 370 P CB 0.035 31.813 31.700 0.131 0.000 0.789 371 K N -0.843 119.553 120.400 -0.006 0.000 2.097 371 K HA -0.041 4.279 4.320 -0.001 0.000 0.205 371 K C 2.184 178.706 176.600 -0.131 0.000 1.050 371 K CA 1.069 57.324 56.287 -0.054 0.000 0.938 371 K CB -0.109 32.350 32.500 -0.067 0.000 0.718 371 K HN 0.096 nan 8.250 nan 0.000 0.442 372 R N -0.520 119.832 120.500 -0.246 0.000 2.175 372 R HA 0.096 4.435 4.340 -0.001 0.000 0.202 372 R C 0.311 176.129 176.300 -0.804 0.000 1.018 372 R CA 0.596 56.346 56.100 -0.583 0.000 1.029 372 R CB 0.423 30.205 30.300 -0.865 0.000 0.959 372 R HN 0.109 nan 8.270 nan 0.000 0.480 373 F N -0.176 119.782 119.950 0.013 0.000 2.761 373 F HA 0.408 4.935 4.527 -0.001 0.000 0.367 373 F C 1.137 176.974 175.800 0.062 0.000 1.386 373 F CA -0.607 57.412 58.000 0.032 0.000 1.177 373 F CB 0.475 39.477 39.000 0.004 0.000 1.092 373 F HN -0.084 nan 8.300 nan 0.000 0.517 374 A N -0.009 122.903 122.820 0.154 0.000 1.841 374 A HA -0.266 4.053 4.320 -0.001 0.000 0.216 374 A C 2.246 179.950 177.584 0.200 0.000 1.199 374 A CA 2.242 54.368 52.037 0.149 0.000 0.621 374 A CB -0.915 18.143 19.000 0.096 0.000 0.835 374 A HN 0.540 nan 8.150 nan 0.000 0.445 375 H N 0.303 119.421 119.070 0.081 0.000 2.321 375 H HA -0.162 4.393 4.556 -0.001 0.000 0.295 375 H C 1.828 177.212 175.328 0.093 0.000 1.102 375 H CA 2.340 58.434 56.048 0.077 0.000 1.266 375 H CB -0.348 29.456 29.762 0.069 0.000 1.363 375 H HN 0.521 nan 8.280 nan 0.000 0.492 376 E N -0.205 120.035 120.200 0.067 0.000 2.204 376 E HA -0.054 4.295 4.350 -0.001 0.000 0.195 376 E C 2.445 179.055 176.600 0.017 0.000 0.990 376 E CA 1.085 57.466 56.400 -0.031 0.000 0.821 376 E CB -0.102 29.623 29.700 0.041 0.000 0.750 376 E HN 0.612 nan 8.360 nan 0.000 0.477 377 I N 0.340 120.967 120.570 0.095 0.000 2.500 377 I HA -0.134 4.036 4.170 -0.001 0.000 0.252 377 I C 2.409 178.569 176.117 0.072 0.000 1.142 377 I CA 0.724 62.078 61.300 0.090 0.000 1.451 377 I CB -0.274 37.813 38.000 0.144 0.000 1.093 377 I HN 0.170 nan 8.210 nan 0.000 0.430 378 E N 2.300 122.556 120.200 0.093 0.000 2.017 378 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 378 E C 2.392 179.036 176.600 0.073 0.000 0.997 378 E CA 1.438 57.896 56.400 0.098 0.000 0.804 378 E CB -0.098 29.697 29.700 0.159 0.000 0.757 378 E HN 0.434 nan 8.360 nan 0.000 0.448 379 L N 0.821 122.069 121.223 0.043 0.000 2.081 379 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 379 L C 2.629 179.528 176.870 0.048 0.000 1.080 379 L CA 0.964 55.817 54.840 0.021 0.000 0.754 379 L CB -0.664 41.358 42.059 -0.062 0.000 0.893 379 L HN 0.137 nan 8.230 nan 0.000 0.433 380 V N -0.890 119.048 119.914 0.041 0.000 2.453 380 V HA -0.134 3.985 4.120 -0.001 0.000 0.247 380 V C 2.710 178.883 176.094 0.131 0.000 1.048 380 V CA 1.132 63.479 62.300 0.078 0.000 1.049 380 V CB -0.587 31.232 31.823 -0.007 0.000 0.672 380 V HN 0.355 nan 8.190 nan 0.000 0.457 381 R N 1.825 122.375 120.500 0.083 0.000 2.094 381 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 381 R C 1.512 177.858 176.300 0.078 0.000 1.137 381 R CA 1.298 57.443 56.100 0.077 0.000 0.943 381 R CB -0.697 29.635 30.300 0.053 0.000 0.850 381 R HN 0.710 nan 8.270 nan 0.000 0.433 382 K N 1.356 121.795 120.400 0.065 0.000 2.243 382 K HA 0.050 4.370 4.320 -0.001 0.000 0.232 382 K C 0.636 177.253 176.600 0.028 0.000 1.237 382 K CA 0.295 56.606 56.287 0.041 0.000 1.161 382 K CB 0.565 33.089 32.500 0.040 0.000 1.505 382 K HN 0.076 nan 8.250 nan 0.000 0.271 383 Q N 0.733 120.532 119.800 -0.001 0.000 5.411 383 Q HA -0.024 4.316 4.340 -0.001 0.000 0.264 383 Q C -1.107 174.688 176.000 -0.342 0.000 0.915 383 Q CA 0.139 55.856 55.803 -0.143 0.000 0.572 383 Q CB 0.315 29.020 28.738 -0.055 0.000 0.762 383 Q HN 0.633 nan 8.270 nan 0.000 0.648 384 Y N 2.421 122.716 120.300 -0.008 0.000 2.535 384 Y HA 0.419 4.968 4.550 -0.001 0.000 0.341 384 Y C -2.450 173.444 175.900 -0.010 0.000 1.041 384 Y CA -1.822 56.272 58.100 -0.010 0.000 1.307 384 Y CB 1.582 40.032 38.460 -0.016 0.000 1.095 384 Y HN -0.051 nan 8.280 nan 0.000 0.534 385 P HA 0.350 nan 4.420 nan 0.000 0.297 385 P C -0.792 176.537 177.300 0.049 0.000 1.342 385 P CA -0.206 62.925 63.100 0.051 0.000 0.801 385 P CB 1.897 33.607 31.700 0.017 0.000 0.920 386 V N 0.265 120.203 119.914 0.041 0.000 3.181 386 V HA 0.563 4.683 4.120 -0.001 0.000 0.308 386 V C -0.255 175.842 176.094 0.004 0.000 1.214 386 V CA -1.312 61.004 62.300 0.027 0.000 1.053 386 V CB 1.907 33.752 31.823 0.037 0.000 1.069 386 V HN 0.402 nan 8.190 nan 0.000 0.441 387 E N 0.488 120.682 120.200 -0.009 0.000 2.343 387 E HA 0.239 4.588 4.350 -0.001 0.000 0.269 387 E C -0.030 176.544 176.600 -0.043 0.000 1.047 387 E CA -0.372 56.013 56.400 -0.025 0.000 0.874 387 E CB 1.055 30.735 29.700 -0.034 0.000 1.033 387 E HN 0.836 nan 8.360 nan 0.000 0.409 388 E N 1.983 122.159 120.200 -0.040 0.000 2.492 388 E HA -0.173 4.176 4.350 -0.001 0.000 0.266 388 E C 0.547 177.104 176.600 -0.072 0.000 1.047 388 E CA -0.098 56.277 56.400 -0.042 0.000 0.968 388 E CB 0.370 30.060 29.700 -0.017 0.000 0.960 388 E HN 0.476 nan 8.360 nan 0.000 0.452 389 F N 2.989 122.802 119.950 -0.229 0.000 2.043 389 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 389 F C 0.870 176.574 175.800 -0.160 0.000 1.121 389 F CA 2.158 59.993 58.000 -0.275 0.000 1.199 389 F CB -0.028 38.734 39.000 -0.396 0.000 0.968 389 F HN 0.577 nan 8.300 nan 0.000 0.478 390 K N 0.568 120.796 120.400 -0.286 0.000 5.905 390 K HA -0.118 4.202 4.320 -0.001 0.000 0.743 390 K C -1.769 174.657 176.600 -0.290 0.000 1.570 390 K CA -0.159 55.963 56.287 -0.276 0.000 1.628 390 K CB -1.183 31.149 32.500 -0.280 0.000 2.100 390 K HN 0.030 nan 8.250 nan 0.000 0.325 391 L N 3.461 124.642 121.223 -0.069 0.000 2.330 391 L HA 0.553 4.893 4.340 -0.001 0.000 0.271 391 L C -1.828 175.073 176.870 0.052 0.000 1.013 391 L CA -2.302 52.569 54.840 0.052 0.000 0.816 391 L CB 0.635 42.809 42.059 0.192 0.000 1.287 391 L HN 0.316 nan 8.230 nan 0.000 0.435 392 P HA -0.006 nan 4.420 nan 0.000 0.263 392 P C 0.427 177.762 177.300 0.060 0.000 1.168 392 P CA 0.254 63.392 63.100 0.063 0.000 0.759 392 P CB 0.616 32.364 31.700 0.080 0.000 0.782 393 K N 2.050 122.474 120.400 0.040 0.000 2.089 393 K HA -0.249 4.071 4.320 -0.001 0.000 0.210 393 K C 1.333 177.959 176.600 0.044 0.000 1.048 393 K CA 2.520 58.828 56.287 0.034 0.000 0.926 393 K CB -0.361 32.150 32.500 0.019 0.000 0.714 393 K HN 0.648 nan 8.250 nan 0.000 0.448 394 D N -2.193 118.235 120.400 0.048 0.000 2.137 394 D HA -0.001 4.638 4.640 -0.001 0.000 0.202 394 D C 1.248 177.585 176.300 0.061 0.000 0.970 394 D CA 1.147 55.176 54.000 0.049 0.000 0.837 394 D CB 0.045 40.871 40.800 0.044 0.000 0.981 394 D HN 0.284 nan 8.370 nan 0.000 0.475 395 G N -1.003 107.842 108.800 0.075 0.000 2.273 395 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.162 395 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.162 395 G C -0.382 174.576 174.900 0.097 0.000 1.006 395 G CA -0.534 44.622 45.100 0.094 0.000 0.704 395 G HN 0.085 nan 8.290 nan 0.000 0.487 396 K N 2.162 122.608 120.400 0.077 0.000 2.266 396 K HA 0.484 4.803 4.320 -0.001 0.000 0.274 396 K C 0.793 177.424 176.600 0.050 0.000 1.090 396 K CA -0.615 55.708 56.287 0.059 0.000 0.925 396 K CB 0.795 33.317 32.500 0.037 0.000 1.225 396 K HN 0.164 nan 8.250 nan 0.000 0.458 397 M N 2.081 121.725 119.600 0.073 0.000 2.248 397 M HA -0.013 4.467 4.480 -0.001 0.000 0.343 397 M C 0.294 176.537 176.300 -0.095 0.000 1.243 397 M CA -0.018 55.306 55.300 0.039 0.000 1.025 397 M CB -0.341 32.316 32.600 0.094 0.000 1.759 397 M HN 0.125 nan 8.290 nan 0.000 0.452 398 V N 5.345 125.156 119.914 -0.172 0.000 2.439 398 V HA 0.162 4.281 4.120 -0.001 0.000 0.271 398 V C 0.704 176.642 176.094 -0.260 0.000 1.040 398 V CA -0.115 62.018 62.300 -0.279 0.000 1.002 398 V CB 0.099 31.666 31.823 -0.425 0.000 1.000 398 V HN 0.706 nan 8.190 nan 0.000 0.477 399 R N 5.599 125.968 120.500 -0.220 0.000 2.387 399 R HA 0.730 5.069 4.340 -0.001 0.000 0.314 399 R C -1.212 175.017 176.300 -0.118 0.000 0.958 399 R CA -0.510 55.495 56.100 -0.159 0.000 0.846 399 R CB 0.943 31.153 30.300 -0.150 0.000 1.147 399 R HN 0.690 nan 8.270 nan 0.000 0.447 400 L N 1.799 123.000 121.223 -0.036 0.000 2.283 400 L HA 0.600 4.939 4.340 -0.001 0.000 0.259 400 L C 0.234 177.133 176.870 0.048 0.000 1.027 400 L CA -1.176 53.651 54.840 -0.023 0.000 0.828 400 L CB 2.239 44.277 42.059 -0.035 0.000 1.380 400 L HN 0.706 nan 8.230 nan 0.000 0.425 401 T N -3.894 110.690 114.554 0.050 0.000 2.944 401 T HA 0.255 4.605 4.350 -0.001 0.000 0.284 401 T C 0.723 175.483 174.700 0.101 0.000 1.010 401 T CA -0.354 61.809 62.100 0.105 0.000 1.025 401 T CB 1.220 70.155 68.868 0.112 0.000 1.079 401 T HN 0.505 nan 8.240 nan 0.000 0.516 402 Y N 1.208 121.487 120.300 -0.035 0.000 2.224 402 Y HA -0.044 4.505 4.550 -0.001 0.000 0.289 402 Y C 2.613 178.510 175.900 -0.005 0.000 1.146 402 Y CA 2.083 60.111 58.100 -0.120 0.000 1.182 402 Y CB -0.168 38.175 38.460 -0.196 0.000 0.983 402 Y HN 0.795 nan 8.280 nan 0.000 0.524 403 K N 0.354 120.901 120.400 0.244 0.000 2.057 403 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 403 K C 1.917 178.522 176.600 0.008 0.000 1.049 403 K CA 1.925 58.298 56.287 0.144 0.000 0.931 403 K CB -0.163 32.427 32.500 0.151 0.000 0.714 403 K HN 0.409 nan 8.250 nan 0.000 0.440 404 E N -0.677 119.523 120.200 0.001 0.000 2.051 404 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 404 E C 2.037 178.583 176.600 -0.090 0.000 0.991 404 E CA 1.164 57.543 56.400 -0.034 0.000 0.799 404 E CB -0.302 29.385 29.700 -0.021 0.000 0.748 404 E HN 0.550 nan 8.360 nan 0.000 0.449 405 G N 1.694 110.416 108.800 -0.131 0.000 2.459 405 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 405 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 405 G C 1.575 176.325 174.900 -0.250 0.000 1.183 405 G CA 0.686 45.659 45.100 -0.211 0.000 0.776 405 G HN 0.133 nan 8.290 nan 0.000 0.552 406 I N 0.650 121.044 120.570 -0.295 0.000 2.335 406 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 406 I C 2.640 178.669 176.117 -0.146 0.000 1.129 406 I CA 1.245 62.402 61.300 -0.239 0.000 1.402 406 I CB -0.468 37.404 38.000 -0.213 0.000 1.069 406 I HN 0.375 nan 8.210 nan 0.000 0.424 407 E N 0.794 120.923 120.200 -0.119 0.000 2.012 407 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 407 E C 2.360 178.897 176.600 -0.106 0.000 1.007 407 E CA 1.577 57.924 56.400 -0.088 0.000 0.816 407 E CB -0.087 29.572 29.700 -0.068 0.000 0.762 407 E HN 0.368 nan 8.360 nan 0.000 0.451 408 M N 0.582 120.102 119.600 -0.134 0.000 2.110 408 M HA -0.280 4.200 4.480 -0.001 0.000 0.257 408 M C 2.471 178.659 176.300 -0.188 0.000 1.071 408 M CA 1.661 56.857 55.300 -0.172 0.000 1.096 408 M CB -0.776 31.691 32.600 -0.220 0.000 1.300 408 M HN 0.181 nan 8.290 nan 0.000 0.411 409 L N -0.691 120.413 121.223 -0.198 0.000 2.013 409 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 409 L C 2.708 179.550 176.870 -0.046 0.000 1.073 409 L CA 1.659 56.418 54.840 -0.134 0.000 0.753 409 L CB -0.868 41.136 42.059 -0.093 0.000 0.890 409 L HN 0.307 nan 8.230 nan 0.000 0.432 410 R N -0.044 120.421 120.500 -0.059 0.000 2.081 410 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 410 R C 2.392 178.677 176.300 -0.026 0.000 1.131 410 R CA 1.492 57.572 56.100 -0.033 0.000 0.960 410 R CB -0.451 29.822 30.300 -0.044 0.000 0.856 410 R HN 0.401 nan 8.270 nan 0.000 0.436 411 A N 0.465 123.257 122.820 -0.046 0.000 1.851 411 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 411 A C 1.947 179.520 177.584 -0.018 0.000 1.195 411 A CA 1.691 53.704 52.037 -0.041 0.000 0.622 411 A CB -1.022 17.941 19.000 -0.063 0.000 0.831 411 A HN 0.416 nan 8.150 nan 0.000 0.444 412 A N -1.091 121.722 122.820 -0.012 0.000 2.233 412 A HA 0.405 4.724 4.320 -0.001 0.000 0.230 412 A C 1.732 179.373 177.584 0.094 0.000 1.347 412 A CA 1.125 53.196 52.037 0.058 0.000 1.087 412 A CB -1.764 17.310 19.000 0.123 0.000 0.871 412 A HN 2.053 nan 8.150 nan 0.000 0.519 413 G N -0.717 108.109 108.800 0.045 0.000 2.196 413 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.268 413 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.268 413 G C 0.402 175.332 174.900 0.049 0.000 0.975 413 G CA 0.645 45.768 45.100 0.038 0.000 0.648 413 G HN 0.483 nan 8.290 nan 0.000 0.538 414 K N 1.080 121.534 120.400 0.090 0.000 2.401 414 K HA 0.268 4.587 4.320 -0.001 0.000 0.278 414 K C 0.380 177.004 176.600 0.039 0.000 1.018 414 K CA -0.109 56.232 56.287 0.091 0.000 0.981 414 K CB 1.121 33.722 32.500 0.170 0.000 0.933 414 K HN 0.593 nan 8.250 nan 0.000 0.477 415 E N 4.126 124.343 120.200 0.028 0.000 2.028 415 E HA 0.241 4.591 4.350 -0.001 0.000 0.266 415 E C -0.875 175.732 176.600 0.013 0.000 0.962 415 E CA -0.282 56.126 56.400 0.013 0.000 0.784 415 E CB 0.355 30.061 29.700 0.010 0.000 1.114 415 E HN 0.478 nan 8.360 nan 0.000 0.414 416 I N 2.213 122.783 120.570 0.000 0.000 2.846 416 I HA 0.595 4.765 4.170 -0.001 0.000 0.307 416 I C -0.198 175.910 176.117 -0.015 0.000 1.053 416 I CA -0.898 60.403 61.300 0.000 0.000 1.050 416 I CB 1.998 39.991 38.000 -0.011 0.000 1.239 416 I HN 0.578 nan 8.210 nan 0.000 0.439 417 G N 3.373 112.171 108.800 -0.004 0.000 4.662 417 G HA2 0.260 4.219 3.960 -0.001 0.000 0.328 417 G HA3 0.260 4.219 3.960 -0.001 0.000 0.328 417 G C 0.037 174.878 174.900 -0.098 0.000 1.451 417 G CA -0.059 45.020 45.100 -0.035 0.000 1.154 417 G HN 0.858 nan 8.290 nan 0.000 0.547 418 D N 0.533 120.843 120.400 -0.149 0.000 4.541 418 D HA -0.280 4.359 4.640 -0.001 0.000 0.246 418 D C 0.897 177.042 176.300 -0.258 0.000 0.855 418 D CA 2.326 56.121 54.000 -0.341 0.000 1.958 418 D CB -0.652 39.670 40.800 -0.797 0.000 1.116 418 D HN 0.457 nan 8.370 nan 0.000 0.413 419 F N 1.990 121.995 119.950 0.092 0.000 2.639 419 F HA 0.316 4.843 4.527 -0.001 0.000 0.300 419 F C 1.195 177.028 175.800 0.055 0.000 1.109 419 F CA -0.262 57.743 58.000 0.008 0.000 1.335 419 F CB 0.015 38.982 39.000 -0.055 0.000 1.014 419 F HN -0.058 nan 8.300 nan 0.000 0.537 420 E N 0.780 121.108 120.200 0.212 0.000 2.349 420 E HA 0.049 4.399 4.350 -0.001 0.000 0.262 420 E C -0.712 176.045 176.600 0.262 0.000 1.088 420 E CA -0.474 56.036 56.400 0.183 0.000 0.899 420 E CB 0.799 30.573 29.700 0.125 0.000 1.044 420 E HN -0.081 nan 8.360 nan 0.000 0.420 421 D N 2.354 122.882 120.400 0.214 0.000 2.225 421 D HA 0.158 4.798 4.640 -0.001 0.000 0.248 421 D C -0.417 176.038 176.300 0.257 0.000 1.096 421 D CA -0.308 53.849 54.000 0.262 0.000 0.863 421 D CB 0.669 41.570 40.800 0.168 0.000 1.156 421 D HN 0.347 nan 8.370 nan 0.000 0.450 422 L N 3.411 124.839 121.223 0.342 0.000 2.562 422 L HA -0.002 4.338 4.340 -0.001 0.000 0.271 422 L C 1.175 178.164 176.870 0.198 0.000 1.167 422 L CA -0.077 54.908 54.840 0.241 0.000 0.917 422 L CB 0.076 42.306 42.059 0.284 0.000 1.187 422 L HN 0.468 nan 8.230 nan 0.000 0.482 423 S N 1.528 117.315 115.700 0.144 0.000 2.606 423 S HA 0.057 4.526 4.470 -0.001 0.000 0.257 423 S C 1.242 175.920 174.600 0.130 0.000 1.327 423 S CA -0.264 58.009 58.200 0.122 0.000 0.984 423 S CB 0.890 64.146 63.200 0.093 0.000 0.941 423 S HN 0.647 nan 8.310 nan 0.000 0.576 424 T N 0.065 114.688 114.554 0.115 0.000 2.867 424 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 424 T C 1.580 176.345 174.700 0.107 0.000 1.057 424 T CA 1.463 63.633 62.100 0.117 0.000 1.136 424 T CB -0.445 68.482 68.868 0.099 0.000 0.874 424 T HN 0.767 nan 8.240 nan 0.000 0.466 425 E N 1.662 121.916 120.200 0.090 0.000 1.998 425 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 425 E C 2.026 178.696 176.600 0.117 0.000 1.003 425 E CA 1.416 57.862 56.400 0.077 0.000 0.829 425 E CB -0.198 29.531 29.700 0.048 0.000 0.777 425 E HN 0.553 nan 8.360 nan 0.000 0.460 426 N N 0.242 119.018 118.700 0.126 0.000 2.192 426 N HA -0.231 4.508 4.740 -0.001 0.000 0.188 426 N C 1.778 177.349 175.510 0.102 0.000 1.013 426 N CA 1.210 54.352 53.050 0.154 0.000 0.863 426 N CB -0.108 38.444 38.487 0.108 0.000 0.990 426 N HN 0.228 nan 8.380 nan 0.000 0.430 427 E N 1.327 121.590 120.200 0.104 0.000 2.033 427 E HA -0.197 4.152 4.350 -0.001 0.000 0.199 427 E C 1.600 178.209 176.600 0.015 0.000 1.011 427 E CA 1.335 57.785 56.400 0.083 0.000 0.815 427 E CB 0.205 30.015 29.700 0.182 0.000 0.755 427 E HN 0.210 nan 8.360 nan 0.000 0.451 428 K N -0.260 120.186 120.400 0.076 0.000 2.057 428 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 428 K C 2.163 178.825 176.600 0.103 0.000 1.049 428 K CA 0.988 57.317 56.287 0.071 0.000 0.931 428 K CB -0.472 32.082 32.500 0.090 0.000 0.714 428 K HN 0.187 nan 8.250 nan 0.000 0.440 429 F N 2.730 122.647 119.950 -0.054 0.000 2.026 429 F HA -0.220 4.306 4.527 -0.001 0.000 0.296 429 F C 2.145 177.879 175.800 -0.111 0.000 1.133 429 F CA 1.055 59.013 58.000 -0.071 0.000 1.188 429 F CB -1.005 37.960 39.000 -0.058 0.000 0.968 429 F HN -0.072 nan 8.300 nan 0.000 0.476 430 L N 1.172 122.224 121.223 -0.284 0.000 2.129 430 L HA -0.072 4.267 4.340 -0.001 0.000 0.212 430 L C 2.280 178.905 176.870 -0.409 0.000 1.087 430 L CA 2.259 56.826 54.840 -0.455 0.000 0.757 430 L CB -1.812 40.057 42.059 -0.317 0.000 0.896 430 L HN 0.254 nan 8.230 nan 0.000 0.434 431 G N -0.776 107.867 108.800 -0.262 0.000 2.422 431 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.218 431 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.218 431 G C 1.732 176.499 174.900 -0.223 0.000 1.146 431 G CA 0.819 45.778 45.100 -0.235 0.000 0.769 431 G HN 0.481 nan 8.290 nan 0.000 0.547 432 K N -0.083 120.232 120.400 -0.142 0.000 2.001 432 K HA 0.081 4.401 4.320 -0.001 0.000 0.208 432 K C 2.559 179.051 176.600 -0.180 0.000 1.048 432 K CA 0.742 56.975 56.287 -0.090 0.000 0.932 432 K CB -0.314 32.225 32.500 0.066 0.000 0.715 432 K HN 0.289 nan 8.250 nan 0.000 0.437 433 L N 0.724 121.761 121.223 -0.310 0.000 2.051 433 L HA -0.231 4.108 4.340 -0.001 0.000 0.214 433 L C 2.453 179.152 176.870 -0.285 0.000 1.076 433 L CA 1.541 56.171 54.840 -0.350 0.000 0.758 433 L CB -0.728 41.018 42.059 -0.521 0.000 0.890 433 L HN 0.240 nan 8.230 nan 0.000 0.433 434 V N -1.337 118.377 119.914 -0.333 0.000 3.041 434 V HA -0.153 3.966 4.120 -0.001 0.000 0.260 434 V C 2.493 178.495 176.094 -0.153 0.000 1.105 434 V CA 1.246 63.403 62.300 -0.239 0.000 1.125 434 V CB -0.469 31.030 31.823 -0.540 0.000 0.730 434 V HN 0.406 nan 8.190 nan 0.000 0.479 435 R N -0.235 120.156 120.500 -0.181 0.000 2.073 435 R HA -0.094 4.245 4.340 -0.001 0.000 0.229 435 R C 2.037 178.259 176.300 -0.131 0.000 1.120 435 R CA 1.848 57.867 56.100 -0.135 0.000 0.967 435 R CB -0.326 29.900 30.300 -0.124 0.000 0.862 435 R HN 0.582 nan 8.270 nan 0.000 0.436 436 D N 0.595 120.907 120.400 -0.147 0.000 2.088 436 D HA -0.209 4.431 4.640 -0.001 0.000 0.191 436 D C 1.735 177.911 176.300 -0.206 0.000 0.992 436 D CA 1.409 55.319 54.000 -0.150 0.000 0.831 436 D CB -0.170 40.546 40.800 -0.141 0.000 0.973 436 D HN 0.179 nan 8.370 nan 0.000 0.447 437 K N -0.440 119.783 120.400 -0.294 0.000 2.002 437 K HA -0.155 4.165 4.320 -0.001 0.000 0.209 437 K C 1.886 178.088 176.600 -0.664 0.000 1.048 437 K CA 1.241 57.218 56.287 -0.517 0.000 0.930 437 K CB -0.114 31.958 32.500 -0.714 0.000 0.714 437 K HN 0.194 nan 8.250 nan 0.000 0.438 438 Y N -0.188 120.020 120.300 -0.153 0.000 2.462 438 Y HA 0.155 4.704 4.550 -0.001 0.000 0.261 438 Y C -0.103 175.734 175.900 -0.106 0.000 1.146 438 Y CA 0.094 58.120 58.100 -0.124 0.000 1.283 438 Y CB 0.384 38.763 38.460 -0.135 0.000 1.090 438 Y HN 0.198 nan 8.280 nan 0.000 0.526 439 D N 0.596 120.972 120.400 -0.039 0.000 2.737 439 D HA -0.181 4.459 4.640 -0.001 0.000 0.243 439 D C -0.485 175.784 176.300 -0.051 0.000 1.109 439 D CA 1.294 55.261 54.000 -0.055 0.000 0.702 439 D CB -0.884 39.886 40.800 -0.049 0.000 1.068 439 D HN 0.255 nan 8.370 nan 0.000 0.432 440 T N -0.917 113.598 114.554 -0.065 0.000 2.932 440 T HA 0.286 4.635 4.350 -0.001 0.000 0.318 440 T C 0.006 174.617 174.700 -0.149 0.000 1.265 440 T CA -0.632 61.411 62.100 -0.096 0.000 1.036 440 T CB 1.533 70.394 68.868 -0.012 0.000 1.209 440 T HN -0.077 nan 8.240 nan 0.000 0.484 441 D N 1.379 121.600 120.400 -0.298 0.000 2.327 441 D HA 0.126 4.765 4.640 -0.001 0.000 0.205 441 D C 0.017 176.323 176.300 0.011 0.000 0.989 441 D CA 0.506 54.316 54.000 -0.318 0.000 0.873 441 D CB 0.313 40.630 40.800 -0.804 0.000 0.955 441 D HN 0.365 nan 8.370 nan 0.000 0.515 442 F N 2.211 122.125 119.950 -0.060 0.000 2.404 442 F HA 0.339 4.866 4.527 -0.001 0.000 0.354 442 F C -1.106 174.800 175.800 0.176 0.000 1.122 442 F CA -1.153 56.951 58.000 0.173 0.000 1.080 442 F CB 0.430 39.650 39.000 0.365 0.000 1.131 442 F HN -0.180 nan 8.300 nan 0.000 0.471 443 Y N 6.358 126.281 120.300 -0.629 0.000 2.479 443 Y HA 0.653 5.203 4.550 -0.001 0.000 0.338 443 Y C -1.727 173.845 175.900 -0.547 0.000 1.055 443 Y CA -1.740 55.981 58.100 -0.631 0.000 1.023 443 Y CB 0.759 39.018 38.460 -0.336 0.000 1.287 443 Y HN 0.454 nan 8.280 nan 0.000 0.447 444 I N 5.496 125.661 120.570 -0.675 0.000 2.428 444 I HA 0.277 4.447 4.170 -0.001 0.000 0.289 444 I C -0.914 175.115 176.117 -0.148 0.000 1.019 444 I CA -0.751 60.243 61.300 -0.509 0.000 1.351 444 I CB 1.573 39.261 38.000 -0.520 0.000 1.412 444 I HN 0.646 nan 8.210 nan 0.000 0.513 445 L N 6.811 128.088 121.223 0.091 0.000 2.366 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.266 445 L C -0.392 176.690 176.870 0.353 0.000 1.010 445 L CA -0.112 54.863 54.840 0.225 0.000 0.879 445 L CB 0.618 42.892 42.059 0.359 0.000 1.228 445 L HN 0.473 nan 8.230 nan 0.000 0.439 446 D N 2.574 123.131 120.400 0.261 0.000 2.354 446 D HA 0.192 4.832 4.640 -0.001 0.000 0.247 446 D C 0.119 176.591 176.300 0.287 0.000 1.138 446 D CA -0.053 54.143 54.000 0.327 0.000 0.958 446 D CB 1.252 42.197 40.800 0.242 0.000 1.144 446 D HN 0.318 nan 8.370 nan 0.000 0.458 447 K N 0.632 121.248 120.400 0.360 0.000 3.162 447 K HA -0.191 4.129 4.320 -0.001 0.000 0.268 447 K C -0.638 176.120 176.600 0.264 0.000 1.062 447 K CA 0.170 56.663 56.287 0.343 0.000 0.769 447 K CB -1.877 30.828 32.500 0.342 0.000 1.274 447 K HN 0.274 nan 8.250 nan 0.000 0.478 448 F N 1.380 121.379 119.950 0.082 0.000 2.545 448 F HA 0.117 4.643 4.527 -0.001 0.000 0.348 448 F C -1.050 174.522 175.800 -0.380 0.000 1.163 448 F CA -1.186 56.653 58.000 -0.269 0.000 1.331 448 F CB 0.154 39.014 39.000 -0.233 0.000 1.138 448 F HN 0.067 nan 8.300 nan 0.000 0.602 449 P HA 0.061 nan 4.420 nan 0.000 0.271 449 P C -0.638 176.514 177.300 -0.247 0.000 1.218 449 P CA -0.252 62.536 63.100 -0.519 0.000 0.780 449 P CB 1.058 32.552 31.700 -0.343 0.000 0.901 450 L N 2.607 123.691 121.223 -0.232 0.000 2.453 450 L HA 0.147 4.486 4.340 -0.001 0.000 0.261 450 L C 1.206 178.007 176.870 -0.116 0.000 1.179 450 L CA 0.603 55.370 54.840 -0.122 0.000 0.813 450 L CB -0.287 41.718 42.059 -0.090 0.000 1.110 450 L HN 0.556 nan 8.230 nan 0.000 0.466 451 E N 1.874 122.058 120.200 -0.027 0.000 4.223 451 E HA -0.254 4.096 4.350 -0.001 0.000 0.379 451 E C 0.447 177.003 176.600 -0.073 0.000 0.610 451 E CA 1.427 57.818 56.400 -0.015 0.000 1.397 451 E CB -1.744 27.938 29.700 -0.030 0.000 1.803 451 E HN 0.771 nan 8.360 nan 0.000 0.385 452 I N -2.942 117.584 120.570 -0.073 0.000 4.102 452 I HA 0.433 4.602 4.170 -0.001 0.000 0.325 452 I C 0.270 176.325 176.117 -0.104 0.000 1.471 452 I CA -0.467 60.795 61.300 -0.063 0.000 1.133 452 I CB 0.539 38.533 38.000 -0.010 0.000 1.184 452 I HN -0.203 nan 8.210 nan 0.000 0.451 453 R N 1.676 122.109 120.500 -0.112 0.000 2.807 453 R HA 0.718 5.058 4.340 -0.001 0.000 0.276 453 R C -2.760 173.464 176.300 -0.127 0.000 0.979 453 R CA -2.395 53.605 56.100 -0.167 0.000 0.928 453 R CB 1.135 31.334 30.300 -0.167 0.000 1.191 453 R HN -0.100 nan 8.270 nan 0.000 0.471 454 P HA 0.025 nan 4.420 nan 0.000 0.270 454 P C 0.468 177.641 177.300 -0.211 0.000 1.227 454 P CA -0.077 62.852 63.100 -0.284 0.000 0.788 454 P CB 0.251 31.458 31.700 -0.822 0.000 0.926 455 F N 0.613 120.577 119.950 0.023 0.000 2.126 455 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 455 F C 1.574 177.290 175.800 -0.140 0.000 1.096 455 F CA 0.799 58.738 58.000 -0.102 0.000 1.255 455 F CB -2.142 36.887 39.000 0.048 0.000 0.997 455 F HN 0.305 nan 8.300 nan 0.000 0.479 456 Y N 1.197 120.864 120.300 -1.055 0.000 2.506 456 Y HA 0.375 4.924 4.550 -0.001 0.000 0.335 456 Y C -0.224 175.476 175.900 -0.334 0.000 1.218 456 Y CA -0.877 56.823 58.100 -0.667 0.000 1.260 456 Y CB -2.173 35.847 38.460 -0.734 0.000 1.085 456 Y HN -0.075 nan 8.280 nan 0.000 0.495 457 T N 2.739 117.035 114.554 -0.430 0.000 2.743 457 T HA 0.261 4.611 4.350 -0.001 0.000 0.293 457 T C -0.126 174.478 174.700 -0.159 0.000 0.945 457 T CA -0.618 61.310 62.100 -0.286 0.000 1.030 457 T CB 0.777 69.471 68.868 -0.290 0.000 0.912 457 T HN 0.309 nan 8.240 nan 0.000 0.483 458 M N 6.358 125.886 119.600 -0.120 0.000 2.307 458 M HA 0.241 4.721 4.480 -0.001 0.000 0.346 458 M C -2.493 173.790 176.300 -0.030 0.000 1.552 458 M CA -2.032 53.226 55.300 -0.070 0.000 1.116 458 M CB -0.006 32.561 32.600 -0.056 0.000 1.889 458 M HN 0.219 nan 8.290 nan 0.000 0.460 459 P HA 0.031 nan 4.420 nan 0.000 0.271 459 P C -1.101 176.234 177.300 0.058 0.000 1.233 459 P CA -0.236 62.873 63.100 0.016 0.000 0.789 459 P CB 0.435 32.137 31.700 0.003 0.000 0.951 460 D N 1.384 121.840 120.400 0.094 0.000 2.255 460 D HA 0.104 4.743 4.640 -0.001 0.000 0.249 460 D C -1.741 174.608 176.300 0.082 0.000 1.078 460 D CA -1.941 52.128 54.000 0.115 0.000 0.896 460 D CB 0.954 41.848 40.800 0.158 0.000 1.194 460 D HN 0.069 nan 8.370 nan 0.000 0.429 461 P HA -0.083 nan 4.420 nan 0.000 0.212 461 P C 1.011 178.334 177.300 0.039 0.000 1.180 461 P CA 1.593 64.725 63.100 0.054 0.000 0.906 461 P CB 0.026 31.760 31.700 0.056 0.000 0.782 462 A N -1.873 120.965 122.820 0.031 0.000 2.076 462 A HA -0.121 4.198 4.320 -0.001 0.000 0.220 462 A C 1.100 178.691 177.584 0.012 0.000 1.160 462 A CA 1.318 53.362 52.037 0.013 0.000 0.653 462 A CB -0.803 18.195 19.000 -0.003 0.000 0.801 462 A HN 0.216 nan 8.150 nan 0.000 0.455 463 N N -1.936 116.781 118.700 0.028 0.000 2.578 463 N HA 0.177 4.916 4.740 -0.001 0.000 0.282 463 N C -2.808 172.762 175.510 0.101 0.000 1.119 463 N CA -1.182 51.897 53.050 0.048 0.000 0.948 463 N CB 1.804 40.287 38.487 -0.007 0.000 1.546 463 N HN -0.131 nan 8.380 nan 0.000 0.525 464 P HA -0.055 nan 4.420 nan 0.000 0.226 464 P C 0.775 178.091 177.300 0.027 0.000 1.153 464 P CA 0.628 63.758 63.100 0.049 0.000 0.777 464 P CB 0.622 32.332 31.700 0.018 0.000 0.794 465 K N -1.027 119.406 120.400 0.055 0.000 2.365 465 K HA -0.013 4.306 4.320 -0.001 0.000 0.199 465 K C 0.719 177.214 176.600 -0.176 0.000 1.045 465 K CA 0.717 56.895 56.287 -0.181 0.000 0.962 465 K CB -0.268 32.009 32.500 -0.373 0.000 0.759 465 K HN 0.287 nan 8.250 nan 0.000 0.469 466 Y N -0.254 120.002 120.300 -0.072 0.000 2.654 466 Y HA 0.269 4.819 4.550 -0.001 0.000 0.328 466 Y C 0.839 176.743 175.900 0.007 0.000 1.174 466 Y CA -1.450 56.651 58.100 0.002 0.000 1.293 466 Y CB 1.180 39.688 38.460 0.080 0.000 1.464 466 Y HN -0.159 nan 8.280 nan 0.000 0.559 467 S N -1.498 114.318 115.700 0.192 0.000 2.596 467 S HA 0.381 4.850 4.470 -0.001 0.000 0.270 467 S C -0.889 173.793 174.600 0.136 0.000 1.155 467 S CA -1.211 57.053 58.200 0.106 0.000 0.827 467 S CB 1.187 64.397 63.200 0.017 0.000 1.130 467 S HN 0.631 nan 8.310 nan 0.000 0.467 468 N N 1.404 120.136 118.700 0.052 0.000 2.441 468 N HA 0.106 4.845 4.740 -0.001 0.000 0.225 468 N C 0.149 175.563 175.510 -0.159 0.000 1.208 468 N CA -0.064 52.946 53.050 -0.065 0.000 0.847 468 N CB 0.121 38.491 38.487 -0.194 0.000 1.121 468 N HN 0.698 nan 8.380 nan 0.000 0.479 469 S N 0.676 116.420 115.700 0.073 0.000 2.672 469 S HA 0.522 4.991 4.470 -0.001 0.000 0.276 469 S C -0.567 174.306 174.600 0.455 0.000 1.207 469 S CA -0.559 57.712 58.200 0.118 0.000 1.002 469 S CB 0.729 63.910 63.200 -0.032 0.000 0.998 469 S HN 0.335 nan 8.310 nan 0.000 0.542 470 Y N -2.280 118.089 120.300 0.115 0.000 2.465 470 Y HA 0.630 5.179 4.550 -0.001 0.000 0.323 470 Y C -1.904 174.119 175.900 0.204 0.000 1.191 470 Y CA -1.353 56.932 58.100 0.308 0.000 1.082 470 Y CB 0.180 38.805 38.460 0.275 0.000 1.334 470 Y HN 0.472 nan 8.280 nan 0.000 0.449 471 D N 2.550 123.181 120.400 0.385 0.000 2.228 471 D HA 0.533 5.172 4.640 -0.001 0.000 0.247 471 D C -0.982 175.481 176.300 0.270 0.000 0.995 471 D CA -0.148 53.866 54.000 0.024 0.000 0.903 471 D CB 1.445 42.037 40.800 -0.346 0.000 1.205 471 D HN 0.307 nan 8.370 nan 0.000 0.459 472 F N 0.503 120.299 119.950 -0.256 0.000 2.470 472 F HA 0.566 5.092 4.527 -0.001 0.000 0.329 472 F C -0.182 175.419 175.800 -0.332 0.000 1.072 472 F CA -1.032 56.903 58.000 -0.109 0.000 0.989 472 F CB 0.796 39.902 39.000 0.176 0.000 1.193 472 F HN 0.126 nan 8.300 nan 0.000 0.481 473 F N 1.578 121.526 119.950 -0.002 0.000 2.578 473 F HA 0.614 5.141 4.527 -0.001 0.000 0.311 473 F C -0.476 175.406 175.800 0.137 0.000 1.094 473 F CA -0.680 57.304 58.000 -0.027 0.000 0.923 473 F CB 2.174 41.031 39.000 -0.239 0.000 1.230 473 F HN 0.144 nan 8.300 nan 0.000 0.450 474 M N 2.474 122.254 119.600 0.299 0.000 2.263 474 M HA 0.427 4.906 4.480 -0.001 0.000 0.295 474 M C -0.292 176.016 176.300 0.014 0.000 1.028 474 M CA -0.658 54.812 55.300 0.283 0.000 0.921 474 M CB 2.215 35.023 32.600 0.346 0.000 1.601 474 M HN 0.624 nan 8.290 nan 0.000 0.440 475 R N 1.610 122.162 120.500 0.087 0.000 3.301 475 R HA -0.218 4.122 4.340 -0.001 0.000 0.249 475 R C 0.684 176.945 176.300 -0.065 0.000 0.964 475 R CA 0.648 56.745 56.100 -0.005 0.000 0.653 475 R CB -2.395 27.929 30.300 0.041 0.000 1.043 475 R HN 1.242 nan 8.270 nan 0.000 0.454 476 G N -0.601 108.204 108.800 0.008 0.000 2.166 476 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.260 476 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.260 476 G C -0.087 174.834 174.900 0.035 0.000 0.986 476 G CA 0.798 45.894 45.100 -0.007 0.000 0.683 476 G HN 0.500 nan 8.290 nan 0.000 0.527 477 E N 0.115 120.280 120.200 -0.058 0.000 2.222 477 E HA 0.291 4.640 4.350 -0.001 0.000 0.267 477 E C -0.089 176.523 176.600 0.020 0.000 0.884 477 E CA -0.763 55.537 56.400 -0.167 0.000 0.764 477 E CB 1.625 30.734 29.700 -0.986 0.000 1.169 477 E HN 0.466 nan 8.360 nan 0.000 0.413 478 E N 3.205 123.471 120.200 0.111 0.000 2.498 478 E HA -0.020 4.330 4.350 -0.001 0.000 0.252 478 E C 0.634 177.214 176.600 -0.033 0.000 1.025 478 E CA 0.185 56.499 56.400 -0.143 0.000 0.938 478 E CB 0.179 29.792 29.700 -0.145 0.000 0.947 478 E HN 0.532 nan 8.360 nan 0.000 0.478 479 I N 2.778 123.329 120.570 -0.030 0.000 4.154 479 I HA 0.387 4.557 4.170 -0.001 0.000 0.334 479 I C -0.476 175.678 176.117 0.062 0.000 1.371 479 I CA -0.384 60.972 61.300 0.094 0.000 1.110 479 I CB 0.478 38.595 38.000 0.195 0.000 1.085 479 I HN 0.374 nan 8.210 nan 0.000 0.398 480 L N -0.426 120.768 121.223 -0.048 0.000 2.710 480 L HA 0.630 4.970 4.340 -0.001 0.000 0.260 480 L C -1.602 175.122 176.870 -0.243 0.000 0.993 480 L CA -0.308 54.464 54.840 -0.112 0.000 0.877 480 L CB 2.329 44.303 42.059 -0.141 0.000 1.461 480 L HN -0.030 nan 8.230 nan 0.000 0.413 481 S N 0.856 116.385 115.700 -0.285 0.000 2.720 481 S HA 0.817 5.286 4.470 -0.001 0.000 0.278 481 S C -0.531 173.801 174.600 -0.448 0.000 1.172 481 S CA 0.097 58.074 58.200 -0.372 0.000 1.019 481 S CB 1.438 64.474 63.200 -0.274 0.000 1.049 481 S HN 0.995 nan 8.310 nan 0.000 0.483 482 G N 1.947 110.257 108.800 -0.817 0.000 3.108 482 G HA2 0.985 4.945 3.960 -0.001 0.000 0.268 482 G HA3 0.985 4.945 3.960 -0.001 0.000 0.268 482 G C -0.704 173.634 174.900 -0.936 0.000 1.361 482 G CA -0.211 44.285 45.100 -1.006 0.000 1.047 482 G HN 1.320 nan 8.290 nan 0.000 0.540 483 A N -1.384 121.184 122.820 -0.421 0.000 2.402 483 A HA 0.625 4.944 4.320 -0.001 0.000 0.295 483 A C -1.578 176.029 177.584 0.037 0.000 1.001 483 A CA -0.420 51.575 52.037 -0.070 0.000 0.592 483 A CB 0.741 19.652 19.000 -0.148 0.000 1.404 483 A HN 0.854 nan 8.150 nan 0.000 0.493 484 Q N 0.734 120.470 119.800 -0.107 0.000 2.325 484 Q HA 0.553 4.893 4.340 -0.001 0.000 0.270 484 Q C -0.860 175.063 176.000 -0.129 0.000 1.020 484 Q CA -0.610 55.144 55.803 -0.082 0.000 0.785 484 Q CB 1.084 29.758 28.738 -0.107 0.000 1.259 484 Q HN 0.718 nan 8.270 nan 0.000 0.452 485 R N 3.462 123.824 120.500 -0.228 0.000 2.486 485 R HA 0.453 4.792 4.340 -0.001 0.000 0.286 485 R C 0.132 176.231 176.300 -0.335 0.000 0.999 485 R CA -0.742 55.222 56.100 -0.226 0.000 0.993 485 R CB 0.977 31.195 30.300 -0.135 0.000 1.084 485 R HN 0.594 nan 8.270 nan 0.000 0.487 486 I N 5.149 125.585 120.570 -0.223 0.000 2.573 486 I HA -0.077 4.093 4.170 -0.001 0.000 0.295 486 I C 1.089 177.022 176.117 -0.308 0.000 1.141 486 I CA 0.057 61.240 61.300 -0.195 0.000 1.364 486 I CB -0.211 37.700 38.000 -0.148 0.000 1.447 486 I HN 0.690 nan 8.210 nan 0.000 0.571 487 H N 2.446 121.291 119.070 -0.377 0.000 2.547 487 H HA 0.193 4.749 4.556 -0.001 0.000 0.274 487 H C -0.407 174.728 175.328 -0.322 0.000 1.024 487 H CA -0.651 55.152 56.048 -0.409 0.000 1.155 487 H CB -0.732 28.989 29.762 -0.068 0.000 1.344 487 H HN 0.470 nan 8.280 nan 0.000 0.598 488 D N 0.300 120.618 120.400 -0.136 0.000 2.414 488 D HA 0.034 4.674 4.640 -0.001 0.000 0.232 488 D C 1.229 177.480 176.300 -0.081 0.000 1.070 488 D CA -0.476 53.438 54.000 -0.143 0.000 0.839 488 D CB 0.517 41.256 40.800 -0.102 0.000 1.079 488 D HN 0.341 nan 8.370 nan 0.000 0.521 489 H N 3.628 122.662 119.070 -0.060 0.000 2.460 489 H HA -0.232 4.323 4.556 -0.001 0.000 0.297 489 H C 1.444 176.770 175.328 -0.003 0.000 1.103 489 H CA 1.671 57.729 56.048 0.017 0.000 1.292 489 H CB 0.513 30.323 29.762 0.079 0.000 1.376 489 H HN 0.529 nan 8.280 nan 0.000 0.531 490 A N 1.122 123.884 122.820 -0.096 0.000 1.841 490 A HA -0.132 4.188 4.320 -0.001 0.000 0.214 490 A C 2.469 179.971 177.584 -0.137 0.000 1.195 490 A CA 1.314 53.271 52.037 -0.134 0.000 0.611 490 A CB -0.871 18.099 19.000 -0.050 0.000 0.835 490 A HN 0.405 nan 8.150 nan 0.000 0.443 491 L N -0.641 120.527 121.223 -0.090 0.000 2.017 491 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 491 L C 2.244 179.070 176.870 -0.074 0.000 1.073 491 L CA 2.031 56.829 54.840 -0.069 0.000 0.745 491 L CB -0.834 41.200 42.059 -0.042 0.000 0.894 491 L HN 0.357 nan 8.230 nan 0.000 0.432 492 L N -0.063 121.107 121.223 -0.089 0.000 1.997 492 L HA -0.321 4.018 4.340 -0.001 0.000 0.216 492 L C 2.500 179.374 176.870 0.007 0.000 1.074 492 L CA 2.146 56.966 54.840 -0.034 0.000 0.763 492 L CB -0.957 41.060 42.059 -0.071 0.000 0.890 492 L HN 0.499 nan 8.230 nan 0.000 0.434 493 Q N -1.040 118.706 119.800 -0.090 0.000 2.226 493 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 493 Q C 2.158 178.119 176.000 -0.065 0.000 0.975 493 Q CA 1.592 57.342 55.803 -0.089 0.000 0.866 493 Q CB -0.142 28.481 28.738 -0.191 0.000 0.915 493 Q HN 0.693 nan 8.270 nan 0.000 0.440 494 E N 0.640 120.798 120.200 -0.070 0.000 2.028 494 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 494 E C 2.009 178.576 176.600 -0.055 0.000 0.988 494 E CA 0.674 57.041 56.400 -0.056 0.000 0.799 494 E CB 0.236 29.904 29.700 -0.053 0.000 0.755 494 E HN 0.175 nan 8.360 nan 0.000 0.447 495 R N 0.054 120.519 120.500 -0.059 0.000 2.081 495 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 495 R C 2.440 178.665 176.300 -0.125 0.000 1.131 495 R CA 1.366 57.398 56.100 -0.113 0.000 0.960 495 R CB -0.596 29.644 30.300 -0.100 0.000 0.856 495 R HN 0.389 nan 8.270 nan 0.000 0.436 496 M N 0.913 120.499 119.600 -0.022 0.000 2.143 496 M HA -0.213 4.266 4.480 -0.001 0.000 0.258 496 M C 1.971 178.234 176.300 -0.062 0.000 1.071 496 M CA 1.706 56.959 55.300 -0.078 0.000 1.088 496 M CB -0.248 32.301 32.600 -0.087 0.000 1.360 496 M HN -0.009 nan 8.290 nan 0.000 0.404 497 K N 0.035 120.409 120.400 -0.043 0.000 2.103 497 K HA 0.005 4.324 4.320 -0.001 0.000 0.204 497 K C 2.039 178.644 176.600 0.009 0.000 1.052 497 K CA 1.480 57.756 56.287 -0.018 0.000 0.945 497 K CB -0.708 31.780 32.500 -0.020 0.000 0.722 497 K HN 0.328 nan 8.250 nan 0.000 0.443 498 A N 1.608 124.425 122.820 -0.005 0.000 2.024 498 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 498 A C 0.898 178.615 177.584 0.222 0.000 1.164 498 A CA 1.350 53.416 52.037 0.050 0.000 0.643 498 A CB -0.540 18.448 19.000 -0.021 0.000 0.806 498 A HN 0.273 nan 8.150 nan 0.000 0.451 499 H N -0.932 118.143 119.070 0.009 0.000 2.591 499 H HA 0.390 4.945 4.556 -0.001 0.000 0.302 499 H C 1.465 176.779 175.328 -0.023 0.000 1.163 499 H CA -0.792 55.260 56.048 0.006 0.000 1.049 499 H CB -0.725 29.063 29.762 0.044 0.000 1.543 499 H HN 0.454 nan 8.280 nan 0.000 0.523 500 G N 0.667 109.521 108.800 0.090 0.000 2.309 500 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.286 500 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.286 500 G C 0.123 175.025 174.900 0.003 0.000 1.002 500 G CA 0.416 45.536 45.100 0.033 0.000 0.786 500 G HN 0.215 nan 8.290 nan 0.000 0.511 501 L N 0.080 121.292 121.223 -0.018 0.000 2.440 501 L HA 0.833 5.172 4.340 -0.001 0.000 0.262 501 L C 0.905 177.743 176.870 -0.052 0.000 1.072 501 L CA -0.532 54.269 54.840 -0.066 0.000 0.798 501 L CB 1.614 43.568 42.059 -0.174 0.000 1.307 501 L HN 0.545 nan 8.230 nan 0.000 0.475 502 S N -1.536 114.134 115.700 -0.051 0.000 2.614 502 S HA 0.531 5.000 4.470 -0.001 0.000 0.288 502 S C -2.447 172.145 174.600 -0.013 0.000 1.137 502 S CA -1.091 57.094 58.200 -0.025 0.000 0.992 502 S CB 1.799 64.992 63.200 -0.011 0.000 1.026 502 S HN 0.379 nan 8.310 nan 0.000 0.486 503 P HA 0.021 nan 4.420 nan 0.000 0.231 503 P C 0.677 178.008 177.300 0.052 0.000 1.158 503 P CA 0.733 63.859 63.100 0.043 0.000 0.763 503 P CB 0.068 31.801 31.700 0.055 0.000 0.805 504 E N -0.803 119.415 120.200 0.031 0.000 2.371 504 E HA -0.061 4.289 4.350 -0.001 0.000 0.194 504 E C 0.788 177.402 176.600 0.024 0.000 1.012 504 E CA 0.005 56.422 56.400 0.029 0.000 0.860 504 E CB -0.239 29.473 29.700 0.020 0.000 0.811 504 E HN 0.312 nan 8.360 nan 0.000 0.502 505 D N 1.024 121.434 120.400 0.017 0.000 2.493 505 D HA -0.049 4.591 4.640 -0.001 0.000 0.240 505 D C -1.714 174.598 176.300 0.021 0.000 1.142 505 D CA -1.369 52.636 54.000 0.008 0.000 0.872 505 D CB 1.225 42.023 40.800 -0.003 0.000 1.173 505 D HN -0.151 nan 8.370 nan 0.000 0.467 506 P HA -0.100 nan 4.420 nan 0.000 0.215 506 P C 1.254 178.562 177.300 0.013 0.000 1.157 506 P CA 1.488 64.590 63.100 0.003 0.000 0.874 506 P CB 0.061 31.748 31.700 -0.022 0.000 0.790 507 G N -0.957 107.833 108.800 -0.015 0.000 2.448 507 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 507 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 507 G C 1.383 176.370 174.900 0.145 0.000 1.127 507 G CA 0.580 45.677 45.100 -0.005 0.000 0.766 507 G HN 0.235 nan 8.290 nan 0.000 0.552 508 L N -0.500 120.825 121.223 0.170 0.000 2.221 508 L HA 0.179 4.519 4.340 -0.001 0.000 0.202 508 L C 2.556 179.570 176.870 0.240 0.000 1.074 508 L CA 0.712 55.726 54.840 0.290 0.000 0.795 508 L CB -0.357 41.822 42.059 0.200 0.000 0.960 508 L HN 0.148 nan 8.230 nan 0.000 0.458 509 K N 1.118 121.598 120.400 0.134 0.000 2.023 509 K HA -0.321 3.999 4.320 -0.001 0.000 0.227 509 K C 1.556 178.192 176.600 0.060 0.000 1.054 509 K CA 2.759 59.100 56.287 0.089 0.000 0.977 509 K CB -0.219 32.317 32.500 0.059 0.000 0.733 509 K HN 0.207 nan 8.250 nan 0.000 0.451 510 D N -0.922 119.514 120.400 0.060 0.000 2.182 510 D HA -0.177 4.462 4.640 -0.001 0.000 0.201 510 D C 1.632 177.901 176.300 -0.052 0.000 0.986 510 D CA 1.171 55.171 54.000 -0.000 0.000 0.847 510 D CB -0.330 40.488 40.800 0.031 0.000 0.942 510 D HN 0.391 nan 8.370 nan 0.000 0.467 511 Y N 0.857 121.121 120.300 -0.060 0.000 2.114 511 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 511 Y C 2.364 178.104 175.900 -0.268 0.000 1.143 511 Y CA 1.038 59.043 58.100 -0.159 0.000 1.135 511 Y CB -0.886 37.516 38.460 -0.098 0.000 0.980 511 Y HN 0.148 nan 8.280 nan 0.000 0.499 512 C N 0.758 119.942 119.300 -0.194 0.000 2.432 512 C HA -0.152 4.307 4.460 -0.001 0.000 0.277 512 C C 2.508 177.395 174.990 -0.172 0.000 1.249 512 C CA 1.847 60.825 59.018 -0.066 0.000 1.725 512 C CB -1.404 26.429 27.740 0.155 0.000 2.028 512 C HN 0.667 nan 8.230 nan 0.000 0.477 513 D N 0.379 120.624 120.400 -0.259 0.000 2.149 513 D HA -0.043 4.596 4.640 -0.001 0.000 0.198 513 D C 2.320 178.142 176.300 -0.796 0.000 0.990 513 D CA 1.705 55.465 54.000 -0.400 0.000 0.839 513 D CB -0.951 39.709 40.800 -0.233 0.000 0.948 513 D HN 0.665 nan 8.370 nan 0.000 0.460 514 G N -0.569 107.691 108.800 -0.900 0.000 2.527 514 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.219 514 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.219 514 G C 1.066 175.373 174.900 -0.987 0.000 1.117 514 G CA 0.164 44.584 45.100 -1.132 0.000 0.759 514 G HN 0.183 nan 8.290 nan 0.000 0.556 515 F N 1.125 120.818 119.950 -0.427 0.000 2.569 515 F HA 0.132 4.658 4.527 -0.001 0.000 0.295 515 F C 2.675 178.366 175.800 -0.180 0.000 1.115 515 F CA 0.508 58.365 58.000 -0.237 0.000 1.450 515 F CB -0.086 38.842 39.000 -0.119 0.000 1.107 515 F HN 0.042 nan 8.300 nan 0.000 0.563 516 S N -0.927 114.661 115.700 -0.186 0.000 2.453 516 S HA -0.137 4.333 4.470 -0.001 0.000 0.231 516 S C 1.194 175.926 174.600 0.220 0.000 1.005 516 S CA 0.670 58.849 58.200 -0.034 0.000 0.949 516 S CB -0.445 62.682 63.200 -0.122 0.000 0.774 516 S HN 0.319 nan 8.310 nan 0.000 0.510 517 Y N 1.743 121.975 120.300 -0.115 0.000 2.462 517 Y HA 0.398 4.947 4.550 -0.001 0.000 0.293 517 Y C 1.494 177.358 175.900 -0.061 0.000 1.195 517 Y CA -1.280 56.767 58.100 -0.090 0.000 1.276 517 Y CB -1.474 36.922 38.460 -0.106 0.000 1.082 517 Y HN 0.190 nan 8.280 nan 0.000 0.514 518 G N 1.014 109.875 108.800 0.100 0.000 3.255 518 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.673 518 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.673 518 G C -0.246 174.688 174.900 0.056 0.000 0.995 518 G CA -0.436 44.703 45.100 0.065 0.000 0.988 518 G HN 0.775 nan 8.290 nan 0.000 0.540 519 C N 3.363 122.719 119.300 0.092 0.000 2.898 519 C HA 0.998 5.457 4.460 -0.001 0.000 0.304 519 C C -1.411 173.649 174.990 0.117 0.000 1.237 519 C CA -1.410 57.665 59.018 0.095 0.000 1.529 519 C CB 2.077 29.897 27.740 0.134 0.000 2.021 519 C HN 0.961 nan 8.230 nan 0.000 0.474 520 P HA 0.420 nan 4.420 nan 0.000 0.277 520 P C -2.724 174.755 177.300 0.299 0.000 1.276 520 P CA -1.013 62.168 63.100 0.136 0.000 0.788 520 P CB -0.160 31.549 31.700 0.015 0.000 1.114 521 P HA 0.127 nan 4.420 nan 0.000 0.275 521 P C -0.663 176.232 177.300 -0.675 0.000 1.227 521 P CA 0.666 63.421 63.100 -0.575 0.000 0.781 521 P CB 0.399 31.558 31.700 -0.902 0.000 0.906 522 H N 0.309 119.094 119.070 -0.475 0.000 3.046 522 H HA 0.811 5.366 4.556 -0.001 0.000 0.361 522 H C -1.862 173.607 175.328 0.237 0.000 1.235 522 H CA -1.189 54.806 56.048 -0.090 0.000 1.146 522 H CB 1.384 31.140 29.762 -0.010 0.000 1.859 522 H HN 0.606 nan 8.280 nan 0.000 0.548 523 A N 0.520 123.556 122.820 0.360 0.000 2.593 523 A HA 0.937 5.256 4.320 -0.001 0.000 0.290 523 A C -0.306 177.459 177.584 0.302 0.000 1.126 523 A CA -0.336 51.870 52.037 0.281 0.000 0.695 523 A CB 1.924 21.107 19.000 0.305 0.000 1.290 523 A HN 1.490 nan 8.150 nan 0.000 0.414 524 G N -1.794 107.166 108.800 0.266 0.000 2.321 524 G HA2 0.731 4.690 3.960 -0.001 0.000 0.296 524 G HA3 0.731 4.690 3.960 -0.001 0.000 0.296 524 G C -0.466 174.514 174.900 0.132 0.000 1.287 524 G CA 0.405 45.650 45.100 0.241 0.000 0.846 524 G HN 2.183 nan 8.290 nan 0.000 0.508 525 G N -2.000 106.842 108.800 0.069 0.000 2.646 525 G HA2 0.745 4.705 3.960 -0.001 0.000 0.291 525 G HA3 0.745 4.705 3.960 -0.001 0.000 0.291 525 G C -0.674 174.214 174.900 -0.020 0.000 1.445 525 G CA 0.444 45.506 45.100 -0.064 0.000 0.814 525 G HN 1.668 nan 8.290 nan 0.000 0.495 526 G N -0.027 108.741 108.800 -0.053 0.000 2.557 526 G HA2 0.610 4.570 3.960 -0.001 0.000 0.310 526 G HA3 0.610 4.570 3.960 -0.001 0.000 0.310 526 G C -0.259 174.634 174.900 -0.011 0.000 1.328 526 G CA -0.537 44.560 45.100 -0.003 0.000 0.945 526 G HN 1.101 nan 8.290 nan 0.000 0.494 527 I N 1.608 122.186 120.570 0.013 0.000 2.498 527 I HA 0.847 5.017 4.170 -0.001 0.000 0.301 527 I C 0.250 176.372 176.117 0.008 0.000 0.984 527 I CA -1.046 60.275 61.300 0.036 0.000 1.204 527 I CB 2.218 40.290 38.000 0.120 0.000 1.362 527 I HN 0.458 nan 8.210 nan 0.000 0.471 528 G N 6.279 115.069 108.800 -0.017 0.000 2.329 528 G HA2 0.295 4.254 3.960 -0.001 0.000 0.309 528 G HA3 0.295 4.254 3.960 -0.001 0.000 0.309 528 G C 0.516 175.384 174.900 -0.053 0.000 1.110 528 G CA -0.629 44.432 45.100 -0.065 0.000 0.923 528 G HN 0.903 nan 8.290 nan 0.000 0.430 529 L N 1.929 123.127 121.223 -0.041 0.000 2.010 529 L HA -0.228 4.112 4.340 -0.001 0.000 0.219 529 L C 2.772 179.604 176.870 -0.064 0.000 1.077 529 L CA 1.973 56.771 54.840 -0.070 0.000 0.773 529 L CB -0.026 41.993 42.059 -0.066 0.000 0.892 529 L HN 0.591 nan 8.230 nan 0.000 0.436 530 E N -0.347 119.817 120.200 -0.060 0.000 2.021 530 E HA -0.251 4.098 4.350 -0.001 0.000 0.200 530 E C 2.178 178.689 176.600 -0.149 0.000 1.015 530 E CA 1.638 57.981 56.400 -0.095 0.000 0.824 530 E CB -0.211 29.443 29.700 -0.077 0.000 0.762 530 E HN 0.338 nan 8.360 nan 0.000 0.454 531 R N 0.150 120.553 120.500 -0.161 0.000 2.113 531 R HA -0.177 4.163 4.340 -0.001 0.000 0.244 531 R C 2.390 178.706 176.300 0.027 0.000 1.142 531 R CA 1.577 57.584 56.100 -0.156 0.000 0.953 531 R CB -0.876 29.455 30.300 0.052 0.000 0.860 531 R HN 0.119 nan 8.270 nan 0.000 0.438 532 V N 0.496 120.461 119.914 0.084 0.000 2.392 532 V HA -0.218 3.902 4.120 -0.001 0.000 0.249 532 V C 2.272 178.412 176.094 0.076 0.000 1.059 532 V CA 1.821 64.208 62.300 0.145 0.000 1.051 532 V CB -0.374 31.528 31.823 0.132 0.000 0.658 532 V HN 0.238 nan 8.190 nan 0.000 0.455 533 V N -0.423 119.468 119.914 -0.038 0.000 2.488 533 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 533 V C 2.244 178.281 176.094 -0.095 0.000 1.046 533 V CA 2.260 64.513 62.300 -0.079 0.000 1.053 533 V CB 0.111 31.831 31.823 -0.171 0.000 0.679 533 V HN 0.616 nan 8.190 nan 0.000 0.458 534 M N -0.111 119.368 119.600 -0.202 0.000 2.065 534 M HA -0.216 4.263 4.480 -0.001 0.000 0.259 534 M C 1.963 178.145 176.300 -0.197 0.000 1.071 534 M CA 2.655 57.764 55.300 -0.318 0.000 1.109 534 M CB -0.485 31.768 32.600 -0.577 0.000 1.313 534 M HN 0.338 nan 8.290 nan 0.000 0.408 535 F N -0.939 119.046 119.950 0.059 0.000 2.407 535 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 535 F C 2.195 178.071 175.800 0.127 0.000 1.097 535 F CA 0.870 58.935 58.000 0.110 0.000 1.422 535 F CB -1.222 37.873 39.000 0.159 0.000 1.067 535 F HN 0.291 nan 8.300 nan 0.000 0.539 536 Y N 0.419 120.780 120.300 0.101 0.000 2.263 536 Y HA -0.027 4.522 4.550 -0.001 0.000 0.292 536 Y C 1.737 177.634 175.900 -0.006 0.000 1.130 536 Y CA 1.495 59.535 58.100 -0.101 0.000 1.179 536 Y CB -0.214 38.103 38.460 -0.238 0.000 0.998 536 Y HN -0.023 nan 8.280 nan 0.000 0.532 537 L N -0.158 121.072 121.223 0.011 0.000 2.592 537 L HA 0.065 4.405 4.340 -0.001 0.000 0.227 537 L C 0.033 176.875 176.870 -0.046 0.000 1.127 537 L CA 0.471 55.271 54.840 -0.066 0.000 0.884 537 L CB -0.228 41.785 42.059 -0.076 0.000 1.065 537 L HN 0.072 nan 8.230 nan 0.000 0.457 538 D N 0.938 121.352 120.400 0.023 0.000 3.082 538 D HA -0.184 4.456 4.640 -0.001 0.000 0.234 538 D C 0.251 176.551 176.300 0.000 0.000 1.159 538 D CA 0.308 54.352 54.000 0.074 0.000 0.875 538 D CB -0.380 40.471 40.800 0.086 0.000 0.946 538 D HN -0.008 nan 8.370 nan 0.000 0.411 539 L N 2.314 123.486 121.223 -0.086 0.000 2.607 539 L HA 0.147 4.486 4.340 -0.001 0.000 0.228 539 L C 1.881 178.715 176.870 -0.059 0.000 1.123 539 L CA 0.364 55.093 54.840 -0.185 0.000 0.890 539 L CB -0.241 41.626 42.059 -0.320 0.000 1.103 539 L HN 0.336 nan 8.230 nan 0.000 0.468 540 K N -1.282 119.133 120.400 0.025 0.000 3.548 540 K HA -0.276 4.044 4.320 -0.001 0.000 0.303 540 K C 0.545 177.222 176.600 0.129 0.000 1.234 540 K CA 1.391 57.726 56.287 0.079 0.000 1.024 540 K CB -1.573 30.955 32.500 0.047 0.000 1.306 540 K HN 0.462 nan 8.250 nan 0.000 0.423 541 N N -0.074 118.655 118.700 0.048 0.000 2.455 541 N HA 0.251 4.991 4.740 -0.001 0.000 0.285 541 N C 0.296 175.776 175.510 -0.051 0.000 1.080 541 N CA -0.318 52.774 53.050 0.069 0.000 0.932 541 N CB 1.543 40.077 38.487 0.077 0.000 1.610 541 N HN 0.026 nan 8.380 nan 0.000 0.493 542 I N 3.155 123.677 120.570 -0.080 0.000 2.286 542 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 542 I C 1.692 177.776 176.117 -0.056 0.000 1.115 542 I CA 1.174 62.399 61.300 -0.126 0.000 1.392 542 I CB 0.277 38.197 38.000 -0.134 0.000 1.065 542 I HN 0.516 nan 8.210 nan 0.000 0.418 543 R N 0.285 120.782 120.500 -0.005 0.000 2.170 543 R HA -0.176 4.163 4.340 -0.001 0.000 0.242 543 R C 2.227 178.539 176.300 0.021 0.000 1.145 543 R CA 1.193 57.308 56.100 0.025 0.000 0.984 543 R CB -0.448 29.879 30.300 0.044 0.000 0.869 543 R HN 0.325 nan 8.270 nan 0.000 0.455 544 R N -0.520 119.969 120.500 -0.018 0.000 2.280 544 R HA 0.052 4.392 4.340 -0.001 0.000 0.207 544 R C 1.415 177.658 176.300 -0.094 0.000 1.043 544 R CA 1.005 57.077 56.100 -0.047 0.000 1.006 544 R CB 0.155 30.380 30.300 -0.124 0.000 0.885 544 R HN 0.237 nan 8.270 nan 0.000 0.467 545 A N -0.001 122.763 122.820 -0.094 0.000 2.288 545 A HA 0.079 4.398 4.320 -0.001 0.000 0.216 545 A C 0.546 178.185 177.584 0.091 0.000 1.199 545 A CA -0.061 51.882 52.037 -0.157 0.000 0.891 545 A CB 0.469 19.344 19.000 -0.207 0.000 0.923 545 A HN 0.206 nan 8.150 nan 0.000 0.500 546 S N 0.358 116.149 115.700 0.152 0.000 2.451 546 S HA 0.477 4.946 4.470 -0.001 0.000 0.301 546 S C 0.833 175.496 174.600 0.105 0.000 1.116 546 S CA -0.403 57.901 58.200 0.174 0.000 1.093 546 S CB 1.163 64.423 63.200 0.100 0.000 1.017 546 S HN 0.687 nan 8.310 nan 0.000 0.482 547 L N -0.383 120.752 121.223 -0.146 0.000 2.551 547 L HA 0.406 4.746 4.340 -0.001 0.000 0.228 547 L C -0.823 175.516 176.870 -0.885 0.000 1.153 547 L CA 0.968 55.415 54.840 -0.655 0.000 0.851 547 L CB -0.653 40.683 42.059 -1.205 0.000 0.959 547 L HN 0.580 nan 8.230 nan 0.000 0.451 548 F N 0.446 120.373 119.950 -0.038 0.000 2.824 548 F HA 0.505 5.031 4.527 -0.001 0.000 0.368 548 F C -2.416 173.391 175.800 0.013 0.000 1.398 548 F CA -2.152 55.834 58.000 -0.024 0.000 1.142 548 F CB 0.118 39.095 39.000 -0.039 0.000 1.997 548 F HN -0.132 nan 8.300 nan 0.000 0.598 549 P HA 0.048 nan 4.420 nan 0.000 0.269 549 P C -0.382 176.994 177.300 0.125 0.000 1.200 549 P CA 0.235 63.402 63.100 0.111 0.000 0.779 549 P CB 0.606 32.356 31.700 0.083 0.000 0.841 550 R N 1.121 121.697 120.500 0.125 0.000 2.510 550 R HA 0.472 4.811 4.340 -0.001 0.000 0.287 550 R C -1.423 174.956 176.300 0.132 0.000 1.084 550 R CA -0.410 55.762 56.100 0.119 0.000 0.934 550 R CB 1.057 31.437 30.300 0.134 0.000 1.201 550 R HN 0.615 nan 8.270 nan 0.000 0.431 551 D N 2.156 122.624 120.400 0.113 0.000 2.643 551 D HA 0.402 5.042 4.640 -0.001 0.000 0.283 551 D C -2.190 174.176 176.300 0.111 0.000 1.242 551 D CA -1.507 52.569 54.000 0.127 0.000 0.863 551 D CB 1.757 42.625 40.800 0.113 0.000 1.382 551 D HN 0.116 nan 8.370 nan 0.000 0.444 552 P HA -0.209 nan 4.420 nan 0.000 0.220 552 P C 0.462 177.802 177.300 0.067 0.000 1.142 552 P CA 1.514 64.675 63.100 0.102 0.000 0.801 552 P CB 0.126 31.887 31.700 0.102 0.000 0.764 553 K N -2.085 118.350 120.400 0.059 0.000 2.353 553 K HA 0.137 4.457 4.320 -0.001 0.000 0.206 553 K C 0.974 177.592 176.600 0.030 0.000 1.191 553 K CA 0.094 56.405 56.287 0.039 0.000 0.897 553 K CB -0.500 32.024 32.500 0.040 0.000 1.283 553 K HN -0.016 nan 8.250 nan 0.000 0.477 554 R N 2.065 122.590 120.500 0.041 0.000 2.449 554 R HA 0.027 4.367 4.340 -0.001 0.000 0.296 554 R C 0.562 176.878 176.300 0.027 0.000 1.047 554 R CA 0.198 56.319 56.100 0.034 0.000 1.018 554 R CB 0.237 30.567 30.300 0.049 0.000 0.962 554 R HN 0.047 nan 8.270 nan 0.000 0.428 555 L N 3.250 124.475 121.223 0.004 0.000 3.284 555 L HA 0.332 4.671 4.340 -0.001 0.000 0.294 555 L C -1.015 175.838 176.870 -0.027 0.000 1.183 555 L CA 0.569 55.398 54.840 -0.018 0.000 1.056 555 L CB 0.028 42.062 42.059 -0.042 0.000 1.513 555 L HN 0.651 nan 8.230 nan 0.000 0.601 556 R N 1.432 121.920 120.500 -0.021 0.000 2.668 556 R HA 0.584 4.923 4.340 -0.001 0.000 0.272 556 R C -2.982 173.306 176.300 -0.021 0.000 1.019 556 R CA -1.612 54.465 56.100 -0.038 0.000 0.894 556 R CB 0.586 30.853 30.300 -0.055 0.000 1.228 556 R HN -0.154 nan 8.270 nan 0.000 0.460 557 P HA 0.000 nan 4.420 nan 0.000 0.216 557 P CA 0.000 63.059 63.100 -0.069 0.000 0.800 557 P CB 0.000 31.669 31.700 -0.052 0.000 0.726