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 2b8h_1_D DATA FIRST_RESID 82 DATA SEQUENCE REFNNLTKGL cTINSWHIYG KDNAVRIGED SDVLVTREPY VSCDPDECRF DATA SEQUENCE YALSQGTTIR GKHSNGTIHD RSQYRDLISW PLSSPPTVYN SRVECIGWSS DATA SEQUENCE TScHDGRARM SICISGPNNN ASAVIWYNRR PVTEINTWAR NILRTQESEc DATA SEQUENCE VcQNGVcPVV FTDGSATGPA ETRIYYFKEG KILKWEPLTG TAKHIEEcSc DATA SEQUENCE YGEQAGVTcT cRDNWQGSNR PVIQIDPVAM THTSQYIcSP VLTDNPRPND DATA SEQUENCE PTVGKcNDPY PGNNNNGVKG FSYLDGGNTW LGRTISVASR SGYEMLKVPN DATA SEQUENCE ALTDDRSKPT QGQTIVLNTD WSGYSGSFMD YWAEGEcYRA cFYVELIRGR DATA SEQUENCE PKEDKVWWTS NSIVSMcSST EFLGQWNWPD GAKIEYFL 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 82 R HA 0.000 nan 4.340 nan 0.000 0.208 82 R C 0.000 176.262 176.300 -0.063 0.000 0.893 82 R CA 0.000 56.083 56.100 -0.028 0.000 0.921 82 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 83 E N 0.158 120.357 120.200 -0.002 0.000 2.195 83 E HA 0.361 4.712 4.350 0.001 0.000 0.271 83 E C -1.216 175.436 176.600 0.086 0.000 0.923 83 E CA -0.690 55.709 56.400 -0.001 0.000 0.790 83 E CB 0.856 30.611 29.700 0.092 0.000 1.155 83 E HN -0.091 nan 8.360 nan 0.000 0.402 84 F N 2.491 122.548 119.950 0.179 0.000 2.608 84 F HA 0.053 4.581 4.527 0.001 0.000 0.380 84 F C 1.038 176.972 175.800 0.223 0.000 1.083 84 F CA 0.028 58.152 58.000 0.207 0.000 1.266 84 F CB -0.007 39.086 39.000 0.155 0.000 1.076 84 F HN 0.412 nan 8.300 nan 0.000 0.574 85 N N 2.992 122.002 118.700 0.517 0.000 2.492 85 N HA 0.034 4.775 4.740 0.001 0.000 0.262 85 N C -0.847 174.774 175.510 0.185 0.000 1.202 85 N CA 0.095 53.341 53.050 0.327 0.000 0.926 85 N CB 0.193 38.831 38.487 0.253 0.000 1.078 85 N HN 0.392 nan 8.380 nan 0.000 0.454 86 N N 2.641 121.425 118.700 0.141 0.000 2.361 86 N HA 0.301 5.042 4.740 0.001 0.000 0.302 86 N C -0.779 174.804 175.510 0.121 0.000 1.074 86 N CA -0.469 52.645 53.050 0.106 0.000 0.850 86 N CB 1.250 39.804 38.487 0.112 0.000 1.228 86 N HN 0.444 nan 8.380 nan 0.000 0.491 87 L N 1.774 123.065 121.223 0.113 0.000 2.395 87 L HA 0.164 4.504 4.340 0.001 0.000 0.268 87 L C 1.395 178.403 176.870 0.230 0.000 1.223 87 L CA -0.062 54.926 54.840 0.246 0.000 1.093 87 L CB -0.595 41.553 42.059 0.148 0.000 1.349 87 L HN 0.679 nan 8.230 nan 0.000 0.427 88 T N -2.565 112.099 114.554 0.184 0.000 3.040 88 T HA 0.175 4.526 4.350 0.001 0.000 0.250 88 T C 0.715 175.363 174.700 -0.086 0.000 1.058 88 T CA -0.199 61.927 62.100 0.044 0.000 0.988 88 T CB 0.236 69.122 68.868 0.029 0.000 0.993 88 T HN 0.308 nan 8.240 nan 0.000 0.519 89 K N 0.652 120.865 120.400 -0.312 0.000 2.185 89 K HA 0.675 4.995 4.320 0.001 0.000 0.240 89 K C 0.417 176.876 176.600 -0.234 0.000 0.983 89 K CA -1.085 54.910 56.287 -0.487 0.000 0.873 89 K CB 1.664 33.515 32.500 -1.083 0.000 1.118 89 K HN 0.192 nan 8.250 nan 0.000 0.441 90 G N 0.591 109.310 108.800 -0.136 0.000 2.537 90 G HA2 0.427 4.387 3.960 0.001 0.000 0.297 90 G HA3 0.427 4.387 3.960 0.001 0.000 0.297 90 G C -0.494 174.421 174.900 0.024 0.000 1.310 90 G CA -0.907 44.203 45.100 0.016 0.000 1.027 90 G HN 0.342 nan 8.290 nan 0.000 0.505 91 L N -0.042 121.234 121.223 0.087 0.000 2.371 91 L HA 0.198 4.539 4.340 0.001 0.000 0.272 91 L C 0.461 177.309 176.870 -0.037 0.000 1.124 91 L CA -0.781 54.088 54.840 0.048 0.000 0.816 91 L CB 0.880 42.976 42.059 0.061 0.000 1.129 91 L HN 0.419 nan 8.230 nan 0.000 0.448 92 c N 1.175 119.720 118.600 -0.092 0.000 2.727 92 c HA 0.044 4.615 4.570 0.001 0.000 0.401 92 c C 1.104 175.109 174.090 -0.141 0.000 1.294 92 c CA -0.605 55.650 56.329 -0.123 0.000 2.134 92 c CB -0.333 42.082 42.510 -0.158 0.000 2.724 92 c HN 0.690 nan 8.230 nan 0.000 0.677 93 T N 3.053 117.534 114.554 -0.122 0.000 2.817 93 T HA 0.195 4.546 4.350 0.001 0.000 0.295 93 T C 0.072 174.629 174.700 -0.239 0.000 0.958 93 T CA 0.467 62.495 62.100 -0.120 0.000 1.157 93 T CB -0.202 68.621 68.868 -0.076 0.000 0.898 93 T HN 0.379 nan 8.240 nan 0.000 0.536 94 I N 4.499 124.913 120.570 -0.259 0.000 2.287 94 I HA 0.214 4.385 4.170 0.001 0.000 0.290 94 I C 0.926 176.843 176.117 -0.333 0.000 1.069 94 I CA -0.450 60.525 61.300 -0.543 0.000 1.237 94 I CB 0.495 38.006 38.000 -0.815 0.000 1.418 94 I HN 0.541 nan 8.210 nan 0.000 0.481 95 N N 3.378 121.769 118.700 -0.516 0.000 2.282 95 N HA 0.083 4.824 4.740 0.001 0.000 0.185 95 N C 0.160 175.350 175.510 -0.533 0.000 1.099 95 N CA 0.199 52.873 53.050 -0.627 0.000 0.878 95 N CB 0.652 38.385 38.487 -1.256 0.000 0.993 95 N HN 0.737 nan 8.380 nan 0.000 0.481 96 S N -1.563 113.754 115.700 -0.637 0.000 2.660 96 S HA 0.518 4.989 4.470 0.001 0.000 0.264 96 S C -2.201 171.934 174.600 -0.775 0.000 1.131 96 S CA -1.056 56.874 58.200 -0.449 0.000 0.846 96 S CB 0.870 64.014 63.200 -0.093 0.000 1.151 96 S HN 0.119 nan 8.310 nan 0.000 0.486 97 W N 0.862 122.073 121.300 -0.148 0.000 2.819 97 W HA 0.708 5.368 4.660 0.001 0.000 0.337 97 W C -0.252 176.266 176.519 -0.003 0.000 1.077 97 W CA -0.309 56.956 57.345 -0.134 0.000 1.226 97 W CB 1.299 30.722 29.460 -0.061 0.000 1.419 97 W HN 1.040 nan 8.180 nan 0.000 0.502 98 H N 0.097 119.266 119.070 0.165 0.000 2.621 98 H HA 0.665 5.221 4.556 0.001 0.000 0.360 98 H C -0.693 174.684 175.328 0.081 0.000 1.163 98 H CA -1.368 54.759 56.048 0.131 0.000 1.194 98 H CB 1.251 31.054 29.762 0.069 0.000 1.649 98 H HN 0.382 nan 8.280 nan 0.000 0.532 99 I N 3.236 123.895 120.570 0.148 0.000 2.710 99 I HA -0.047 4.123 4.170 0.001 0.000 0.286 99 I C -0.187 175.996 176.117 0.109 0.000 1.181 99 I CA 0.422 61.646 61.300 -0.127 0.000 1.430 99 I CB -0.070 37.716 38.000 -0.358 0.000 1.367 99 I HN 0.798 nan 8.210 nan 0.000 0.577 100 Y N 6.612 126.822 120.300 -0.150 0.000 2.576 100 Y HA 0.576 5.126 4.550 0.001 0.000 0.282 100 Y C 0.745 176.648 175.900 0.005 0.000 1.139 100 Y CA 0.703 58.794 58.100 -0.015 0.000 1.265 100 Y CB 0.139 38.573 38.460 -0.044 0.000 1.376 100 Y HN 0.524 nan 8.280 nan 0.000 0.511 101 G N 0.537 109.314 108.800 -0.038 0.000 2.720 101 G HA2 0.501 4.462 3.960 0.001 0.000 0.295 101 G HA3 0.501 4.462 3.960 0.001 0.000 0.295 101 G C -2.021 172.957 174.900 0.129 0.000 1.437 101 G CA -0.896 44.194 45.100 -0.017 0.000 0.886 101 G HN 0.011 nan 8.290 nan 0.000 0.509 102 K N 0.535 121.034 120.400 0.166 0.000 2.589 102 K HA 0.246 4.567 4.320 0.001 0.000 0.253 102 K C -0.538 176.211 176.600 0.249 0.000 0.974 102 K CA -0.564 55.827 56.287 0.174 0.000 0.835 102 K CB 1.679 34.224 32.500 0.075 0.000 1.272 102 K HN 0.561 nan 8.250 nan 0.000 0.444 103 D N 2.770 123.373 120.400 0.339 0.000 2.366 103 D HA -0.049 4.592 4.640 0.001 0.000 0.205 103 D C -0.152 176.266 176.300 0.197 0.000 1.022 103 D CA 0.196 54.390 54.000 0.323 0.000 0.868 103 D CB 0.053 41.165 40.800 0.520 0.000 0.953 103 D HN 0.635 nan 8.370 nan 0.000 0.514 104 N N 0.354 119.156 118.700 0.169 0.000 2.710 104 N HA -0.231 4.510 4.740 0.001 0.000 0.249 104 N C 1.038 176.615 175.510 0.113 0.000 1.059 104 N CA 0.755 53.887 53.050 0.138 0.000 0.720 104 N CB -1.190 37.375 38.487 0.129 0.000 0.983 104 N HN 0.476 nan 8.380 nan 0.000 0.544 105 A N -0.201 122.680 122.820 0.102 0.000 1.933 105 A HA -0.072 4.248 4.320 0.001 0.000 0.218 105 A C 2.199 179.797 177.584 0.025 0.000 1.175 105 A CA 1.848 53.909 52.037 0.040 0.000 0.628 105 A CB -0.162 18.839 19.000 0.002 0.000 0.814 105 A HN 0.210 nan 8.150 nan 0.000 0.444 106 V N -0.203 119.746 119.914 0.059 0.000 2.379 106 V HA -0.224 3.897 4.120 0.001 0.000 0.245 106 V C 2.561 178.796 176.094 0.236 0.000 1.044 106 V CA 1.999 64.352 62.300 0.088 0.000 1.036 106 V CB -0.851 31.023 31.823 0.086 0.000 0.664 106 V HN 0.509 nan 8.190 nan 0.000 0.453 107 R N -0.037 120.586 120.500 0.203 0.000 2.080 107 R HA -0.146 4.195 4.340 0.001 0.000 0.236 107 R C 2.285 178.664 176.300 0.132 0.000 1.137 107 R CA 2.016 58.236 56.100 0.199 0.000 0.943 107 R CB -0.511 29.881 30.300 0.154 0.000 0.846 107 R HN 0.415 nan 8.270 nan 0.000 0.431 108 I N -0.169 120.455 120.570 0.090 0.000 2.226 108 I HA -0.166 4.005 4.170 0.001 0.000 0.245 108 I C 2.446 178.576 176.117 0.021 0.000 1.100 108 I CA 1.450 62.776 61.300 0.043 0.000 1.374 108 I CB -0.552 37.467 38.000 0.032 0.000 1.057 108 I HN 0.352 nan 8.210 nan 0.000 0.413 109 G N -0.064 108.754 108.800 0.030 0.000 2.509 109 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 109 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 109 G C 1.513 176.446 174.900 0.056 0.000 1.124 109 G CA 0.172 45.273 45.100 0.001 0.000 0.776 109 G HN 0.303 nan 8.290 nan 0.000 0.547 110 E N 0.921 121.170 120.200 0.082 0.000 2.219 110 E HA -0.195 4.156 4.350 0.001 0.000 0.198 110 E C 0.627 177.124 176.600 -0.172 0.000 0.998 110 E CA 1.461 57.731 56.400 -0.217 0.000 0.818 110 E CB 0.024 29.468 29.700 -0.427 0.000 0.741 110 E HN 0.491 nan 8.360 nan 0.000 0.477 111 D N -0.631 119.714 120.400 -0.092 0.000 2.996 111 D HA 0.080 4.720 4.640 0.001 0.000 0.343 111 D C -1.320 174.956 176.300 -0.041 0.000 1.574 111 D CA 0.077 54.031 54.000 -0.077 0.000 0.773 111 D CB 0.182 40.924 40.800 -0.096 0.000 1.241 111 D HN 0.055 nan 8.370 nan 0.000 0.469 112 S N -1.327 114.353 115.700 -0.033 0.000 2.638 112 S HA 0.448 4.918 4.470 0.001 0.000 0.274 112 S C -0.944 173.628 174.600 -0.047 0.000 1.157 112 S CA -0.998 57.190 58.200 -0.020 0.000 0.826 112 S CB 1.406 64.601 63.200 -0.008 0.000 1.139 112 S HN -0.102 nan 8.310 nan 0.000 0.474 113 D N 1.628 121.999 120.400 -0.048 0.000 2.688 113 D HA 0.322 4.963 4.640 0.001 0.000 0.228 113 D C -0.421 175.737 176.300 -0.237 0.000 1.116 113 D CA 0.093 54.007 54.000 -0.143 0.000 1.023 113 D CB 0.132 40.832 40.800 -0.167 0.000 1.100 113 D HN 0.348 nan 8.370 nan 0.000 0.487 114 V N 1.953 121.749 119.914 -0.198 0.000 2.432 114 V HA 0.159 4.280 4.120 0.001 0.000 0.275 114 V C 0.879 176.812 176.094 -0.268 0.000 1.043 114 V CA -0.803 61.351 62.300 -0.245 0.000 0.925 114 V CB 1.444 33.149 31.823 -0.196 0.000 0.985 114 V HN 0.249 nan 8.190 nan 0.000 0.466 115 L N 5.080 126.112 121.223 -0.318 0.000 2.490 115 L HA 0.153 4.494 4.340 0.001 0.000 0.274 115 L C 0.161 176.872 176.870 -0.265 0.000 1.201 115 L CA -0.090 54.579 54.840 -0.284 0.000 0.869 115 L CB 0.724 42.596 42.059 -0.311 0.000 1.123 115 L HN 0.379 nan 8.230 nan 0.000 0.484 116 V N 2.894 122.682 119.914 -0.211 0.000 2.599 116 V HA 0.127 4.248 4.120 0.001 0.000 0.300 116 V C 0.696 176.713 176.094 -0.128 0.000 1.034 116 V CA 0.250 62.445 62.300 -0.175 0.000 1.115 116 V CB 0.703 32.457 31.823 -0.115 0.000 0.934 116 V HN 1.000 nan 8.190 nan 0.000 0.485 117 T N 3.666 118.157 114.554 -0.106 0.000 2.838 117 T HA 0.835 5.186 4.350 0.001 0.000 0.292 117 T C -0.621 174.064 174.700 -0.025 0.000 1.113 117 T CA -1.018 61.046 62.100 -0.061 0.000 1.008 117 T CB 2.694 71.517 68.868 -0.075 0.000 1.259 117 T HN 0.619 nan 8.240 nan 0.000 0.520 118 R N -0.638 119.861 120.500 -0.003 0.000 2.764 118 R HA 0.412 4.752 4.340 0.001 0.000 0.276 118 R C -1.344 174.962 176.300 0.009 0.000 1.021 118 R CA -0.785 55.302 56.100 -0.023 0.000 0.870 118 R CB 1.127 31.387 30.300 -0.066 0.000 1.293 118 R HN 0.897 nan 8.270 nan 0.000 0.469 119 E N 0.110 120.291 120.200 -0.031 0.000 2.230 119 E HA -0.152 4.199 4.350 0.001 0.000 0.206 119 E C -2.518 174.189 176.600 0.177 0.000 1.309 119 E CA 0.573 57.032 56.400 0.099 0.000 0.697 119 E CB -1.100 28.698 29.700 0.164 0.000 1.146 119 E HN 0.248 nan 8.360 nan 0.000 0.363 120 P HA 0.382 nan 4.420 nan 0.000 0.278 120 P C -0.581 176.508 177.300 -0.352 0.000 1.266 120 P CA -0.272 62.761 63.100 -0.111 0.000 0.807 120 P CB 0.780 32.373 31.700 -0.180 0.000 1.094 121 Y N -3.029 116.813 120.300 -0.763 0.000 2.895 121 Y HA 0.678 5.229 4.550 0.001 0.000 0.339 121 Y C -1.854 173.618 175.900 -0.712 0.000 1.363 121 Y CA -1.265 56.153 58.100 -1.137 0.000 1.085 121 Y CB 0.144 38.273 38.460 -0.552 0.000 1.500 121 Y HN 0.132 nan 8.280 nan 0.000 0.442 122 V N 0.919 120.596 119.914 -0.394 0.000 2.841 122 V HA 0.804 4.925 4.120 0.001 0.000 0.310 122 V C -0.865 175.023 176.094 -0.343 0.000 1.090 122 V CA -0.386 61.594 62.300 -0.532 0.000 0.930 122 V CB 1.577 32.623 31.823 -1.295 0.000 1.014 122 V HN 0.901 nan 8.190 nan 0.000 0.425 123 S N 1.873 117.481 115.700 -0.153 0.000 2.533 123 S HA 0.619 5.090 4.470 0.001 0.000 0.271 123 S C -1.052 173.639 174.600 0.152 0.000 1.143 123 S CA -0.373 57.836 58.200 0.014 0.000 0.891 123 S CB 1.368 64.454 63.200 -0.192 0.000 1.105 123 S HN 0.853 nan 8.310 nan 0.000 0.468 124 C N 3.187 122.657 119.300 0.284 0.000 2.376 124 C HA 0.734 5.195 4.460 0.001 0.000 0.335 124 C C -0.099 174.969 174.990 0.130 0.000 1.229 124 C CA -0.768 58.416 59.018 0.275 0.000 1.867 124 C CB 0.729 28.728 27.740 0.431 0.000 2.319 124 C HN 0.850 nan 8.230 nan 0.000 0.515 125 D N 1.791 122.075 120.400 -0.192 0.000 2.385 125 D HA 0.332 4.973 4.640 0.001 0.000 0.254 125 D C -1.683 174.034 176.300 -0.972 0.000 1.053 125 D CA -1.773 51.775 54.000 -0.754 0.000 0.992 125 D CB 0.544 41.037 40.800 -0.512 0.000 1.145 125 D HN 0.159 nan 8.370 nan 0.000 0.523 126 P HA -0.108 nan 4.420 nan 0.000 0.218 126 P C 0.284 177.361 177.300 -0.371 0.000 1.146 126 P CA 1.279 63.736 63.100 -1.071 0.000 0.813 126 P CB 0.216 31.357 31.700 -0.932 0.000 0.778 127 D N -2.529 117.681 120.400 -0.316 0.000 2.503 127 D HA 0.117 4.758 4.640 0.001 0.000 0.218 127 D C 0.049 176.289 176.300 -0.100 0.000 1.183 127 D CA -0.020 53.892 54.000 -0.148 0.000 0.827 127 D CB 0.231 40.949 40.800 -0.137 0.000 1.034 127 D HN 0.140 nan 8.370 nan 0.000 0.510 128 E N -0.502 119.635 120.200 -0.104 0.000 2.422 128 E HA 0.296 4.647 4.350 0.001 0.000 0.289 128 E C -1.977 174.605 176.600 -0.030 0.000 0.985 128 E CA -0.746 55.612 56.400 -0.070 0.000 0.812 128 E CB 1.847 31.488 29.700 -0.097 0.000 1.226 128 E HN 0.122 nan 8.360 nan 0.000 0.419 129 C N 4.144 123.445 119.300 0.002 0.000 2.376 129 C HA 0.766 5.227 4.460 0.001 0.000 0.335 129 C C -0.496 174.436 174.990 -0.097 0.000 1.229 129 C CA -0.228 58.811 59.018 0.035 0.000 1.867 129 C CB 0.093 27.935 27.740 0.171 0.000 2.319 129 C HN 0.786 nan 8.230 nan 0.000 0.515 130 R N 2.988 123.436 120.500 -0.087 0.000 2.837 130 R HA 0.625 4.966 4.340 0.001 0.000 0.271 130 R C -1.416 174.732 176.300 -0.253 0.000 0.993 130 R CA -0.608 55.323 56.100 -0.281 0.000 0.931 130 R CB 1.301 31.405 30.300 -0.327 0.000 1.206 130 R HN 0.526 nan 8.270 nan 0.000 0.474 131 F N 1.220 120.652 119.950 -0.864 0.000 2.384 131 F HA 0.389 4.917 4.527 0.001 0.000 0.338 131 F C -0.127 174.741 175.800 -1.554 0.000 1.103 131 F CA -0.812 56.454 58.000 -1.223 0.000 1.157 131 F CB 0.543 38.480 39.000 -1.771 0.000 1.167 131 F HN 0.292 nan 8.300 nan 0.000 0.529 132 Y N 0.419 120.099 120.300 -1.033 0.000 2.499 132 Y HA 0.726 5.277 4.550 0.001 0.000 0.347 132 Y C -0.082 175.450 175.900 -0.612 0.000 0.987 132 Y CA -1.140 56.438 58.100 -0.870 0.000 1.044 132 Y CB 2.024 39.671 38.460 -1.355 0.000 1.245 132 Y HN 0.702 nan 8.280 nan 0.000 0.461 133 A N 1.535 124.344 122.820 -0.019 0.000 2.586 133 A HA 0.702 5.023 4.320 0.001 0.000 0.290 133 A C -2.176 175.475 177.584 0.113 0.000 1.086 133 A CA -0.936 51.156 52.037 0.093 0.000 0.665 133 A CB 1.008 20.156 19.000 0.248 0.000 1.279 133 A HN 0.666 nan 8.150 nan 0.000 0.423 134 L N 1.935 123.225 121.223 0.111 0.000 2.283 134 L HA 0.419 4.759 4.340 0.001 0.000 0.287 134 L C 1.006 177.905 176.870 0.048 0.000 1.073 134 L CA -0.286 54.609 54.840 0.091 0.000 0.822 134 L CB 1.152 43.285 42.059 0.123 0.000 1.186 134 L HN 0.735 nan 8.230 nan 0.000 0.436 135 S N 2.123 117.833 115.700 0.017 0.000 2.576 135 S HA 0.054 4.524 4.470 0.001 0.000 0.272 135 S C 0.791 175.399 174.600 0.013 0.000 1.352 135 S CA -0.227 57.958 58.200 -0.025 0.000 1.021 135 S CB 0.783 63.950 63.200 -0.056 0.000 0.887 135 S HN 0.652 nan 8.310 nan 0.000 0.542 136 Q N 1.613 121.413 119.800 -0.000 0.000 2.219 136 Q HA 0.197 4.538 4.340 0.001 0.000 0.209 136 Q C 1.016 177.050 176.000 0.057 0.000 0.854 136 Q CA 0.556 56.390 55.803 0.051 0.000 0.960 136 Q CB 0.641 29.410 28.738 0.051 0.000 1.116 136 Q HN 1.162 nan 8.270 nan 0.000 0.500 137 G N 1.957 110.760 108.800 0.006 0.000 2.225 137 G HA2 -0.242 3.719 3.960 0.001 0.000 0.264 137 G HA3 -0.242 3.719 3.960 0.001 0.000 0.264 137 G C 0.015 174.871 174.900 -0.073 0.000 1.060 137 G CA 0.969 46.060 45.100 -0.014 0.000 0.833 137 G HN 0.338 nan 8.290 nan 0.000 0.498 138 T N -1.266 113.242 114.554 -0.077 0.000 2.893 138 T HA 0.657 5.008 4.350 0.001 0.000 0.337 138 T C 0.327 174.966 174.700 -0.102 0.000 1.587 138 T CA 0.929 62.987 62.100 -0.070 0.000 1.066 138 T CB 0.985 69.851 68.868 -0.003 0.000 1.414 138 T HN 1.404 nan 8.240 nan 0.000 0.488 139 T N 1.608 116.101 114.554 -0.101 0.000 2.816 139 T HA 0.524 4.874 4.350 0.001 0.000 0.282 139 T C 1.881 176.488 174.700 -0.156 0.000 0.993 139 T CA -0.716 61.298 62.100 -0.143 0.000 0.994 139 T CB 0.404 69.194 68.868 -0.130 0.000 1.025 139 T HN 0.545 nan 8.240 nan 0.000 0.529 140 I N 0.102 120.530 120.570 -0.238 0.000 2.233 140 I HA -0.062 4.109 4.170 0.001 0.000 0.243 140 I C 2.809 178.766 176.117 -0.266 0.000 1.093 140 I CA 0.797 61.847 61.300 -0.415 0.000 1.380 140 I CB -0.322 37.322 38.000 -0.594 0.000 1.067 140 I HN 0.489 nan 8.210 nan 0.000 0.413 141 R N 1.429 121.875 120.500 -0.089 0.000 2.276 141 R HA 0.100 4.441 4.340 0.001 0.000 0.203 141 R C 0.890 177.205 176.300 0.026 0.000 1.017 141 R CA 0.137 56.256 56.100 0.033 0.000 1.010 141 R CB -0.806 29.513 30.300 0.032 0.000 0.900 141 R HN 0.296 nan 8.270 nan 0.000 0.469 142 G N 0.560 109.356 108.800 -0.007 0.000 2.544 142 G HA2 -0.003 3.957 3.960 0.001 0.000 0.242 142 G HA3 -0.003 3.957 3.960 0.001 0.000 0.242 142 G C 0.509 175.416 174.900 0.011 0.000 1.247 142 G CA -0.425 44.682 45.100 0.013 0.000 0.840 142 G HN 0.097 nan 8.290 nan 0.000 0.578 143 K N 0.015 120.376 120.400 -0.064 0.000 2.209 143 K HA -0.091 4.229 4.320 0.001 0.000 0.204 143 K C 1.670 178.154 176.600 -0.193 0.000 1.048 143 K CA 1.136 57.332 56.287 -0.151 0.000 0.940 143 K CB -0.029 32.317 32.500 -0.257 0.000 0.729 143 K HN 0.699 nan 8.250 nan 0.000 0.451 144 H N -0.468 118.582 119.070 -0.034 0.000 2.563 144 H HA -0.013 4.544 4.556 0.001 0.000 0.272 144 H C 2.002 177.328 175.328 -0.002 0.000 1.005 144 H CA 0.920 56.940 56.048 -0.046 0.000 1.171 144 H CB 0.106 29.811 29.762 -0.094 0.000 1.351 144 H HN 0.194 nan 8.280 nan 0.000 0.602 145 S N -0.029 115.743 115.700 0.119 0.000 2.447 145 S HA -0.141 4.329 4.470 0.001 0.000 0.233 145 S C 1.229 175.966 174.600 0.229 0.000 1.006 145 S CA 0.038 58.328 58.200 0.151 0.000 0.957 145 S CB -0.246 63.019 63.200 0.109 0.000 0.773 145 S HN 0.291 nan 8.310 nan 0.000 0.507 146 N N 2.384 121.188 118.700 0.173 0.000 2.414 146 N HA 0.277 5.017 4.740 0.001 0.000 0.268 146 N C 0.968 176.559 175.510 0.135 0.000 1.286 146 N CA 1.357 54.494 53.050 0.144 0.000 0.896 146 N CB -0.153 38.286 38.487 -0.080 0.000 1.093 146 N HN 0.614 nan 8.380 nan 0.000 0.480 147 G N 2.018 110.932 108.800 0.189 0.000 2.163 147 G HA2 -0.257 3.704 3.960 0.001 0.000 0.213 147 G HA3 -0.257 3.704 3.960 0.001 0.000 0.213 147 G C 0.696 175.696 174.900 0.166 0.000 0.991 147 G CA 0.420 45.634 45.100 0.189 0.000 0.653 147 G HN 0.699 nan 8.290 nan 0.000 0.518 148 T N -0.960 113.678 114.554 0.140 0.000 3.148 148 T HA 0.318 4.669 4.350 0.001 0.000 0.253 148 T C 2.159 176.876 174.700 0.028 0.000 1.134 148 T CA 0.684 62.851 62.100 0.112 0.000 1.051 148 T CB 0.212 69.158 68.868 0.130 0.000 0.959 148 T HN 0.536 nan 8.240 nan 0.000 0.525 149 I N 0.830 121.357 120.570 -0.071 0.000 2.423 149 I HA -0.134 4.037 4.170 0.001 0.000 0.254 149 I C 0.505 176.494 176.117 -0.214 0.000 1.151 149 I CA 0.985 62.172 61.300 -0.188 0.000 1.421 149 I CB -0.117 37.711 38.000 -0.287 0.000 1.079 149 I HN 0.316 nan 8.210 nan 0.000 0.431 150 H N 1.651 120.725 119.070 0.007 0.000 2.683 150 H HA 0.025 4.582 4.556 0.001 0.000 0.339 150 H C 0.513 175.822 175.328 -0.033 0.000 1.081 150 H CA -0.109 55.926 56.048 -0.020 0.000 1.432 150 H CB 1.105 30.859 29.762 -0.014 0.000 1.462 150 H HN 0.219 nan 8.280 nan 0.000 0.557 151 D N 2.390 122.818 120.400 0.046 0.000 2.149 151 D HA -0.058 4.582 4.640 0.001 0.000 0.201 151 D C 0.338 176.594 176.300 -0.073 0.000 0.972 151 D CA 1.270 55.256 54.000 -0.022 0.000 0.835 151 D CB 0.450 41.208 40.800 -0.070 0.000 0.966 151 D HN 0.412 nan 8.370 nan 0.000 0.476 152 R N 0.137 120.518 120.500 -0.197 0.000 2.388 152 R HA 0.479 4.819 4.340 0.001 0.000 0.314 152 R C -0.556 175.618 176.300 -0.209 0.000 0.959 152 R CA -0.317 55.514 56.100 -0.447 0.000 0.851 152 R CB 1.907 31.543 30.300 -1.107 0.000 1.168 152 R HN 0.003 nan 8.270 nan 0.000 0.472 153 S N 1.180 116.865 115.700 -0.024 0.000 2.638 153 S HA 0.165 4.636 4.470 0.001 0.000 0.274 153 S C 0.152 174.679 174.600 -0.122 0.000 1.157 153 S CA -0.970 57.168 58.200 -0.104 0.000 0.826 153 S CB 1.936 65.116 63.200 -0.032 0.000 1.139 153 S HN 0.481 nan 8.310 nan 0.000 0.474 154 Q N -0.381 119.092 119.800 -0.545 0.000 2.482 154 Q HA 0.208 4.549 4.340 0.001 0.000 0.209 154 Q C -0.095 175.631 176.000 -0.457 0.000 0.961 154 Q CA 1.071 56.560 55.803 -0.523 0.000 0.945 154 Q CB -0.401 27.951 28.738 -0.642 0.000 1.012 154 Q HN 0.765 nan 8.270 nan 0.000 0.515 155 Y N -0.760 119.573 120.300 0.055 0.000 2.467 155 Y HA 0.275 4.826 4.550 0.001 0.000 0.250 155 Y C 0.396 176.307 175.900 0.019 0.000 1.155 155 Y CA -0.445 57.663 58.100 0.014 0.000 1.249 155 Y CB 0.336 38.790 38.460 -0.010 0.000 1.146 155 Y HN -0.142 nan 8.280 nan 0.000 0.524 156 R N 1.262 121.827 120.500 0.108 0.000 2.500 156 R HA 0.629 4.969 4.340 0.001 0.000 0.277 156 R C -0.442 175.888 176.300 0.049 0.000 1.026 156 R CA 0.471 56.630 56.100 0.098 0.000 1.058 156 R CB 0.566 30.958 30.300 0.153 0.000 1.078 156 R HN 0.326 nan 8.270 nan 0.000 0.509 157 D N 0.956 121.373 120.400 0.029 0.000 2.623 157 D HA 0.306 4.947 4.640 0.001 0.000 0.241 157 D C -1.309 174.989 176.300 -0.003 0.000 1.241 157 D CA -0.749 53.244 54.000 -0.012 0.000 0.788 157 D CB 1.506 42.284 40.800 -0.038 0.000 1.413 157 D HN 0.336 nan 8.370 nan 0.000 0.429 158 L N 1.248 122.455 121.223 -0.027 0.000 2.313 158 L HA 0.665 5.006 4.340 0.001 0.000 0.282 158 L C 0.044 176.897 176.870 -0.030 0.000 1.092 158 L CA -0.219 54.622 54.840 0.002 0.000 0.831 158 L CB 0.050 42.112 42.059 0.005 0.000 1.159 158 L HN 0.610 nan 8.230 nan 0.000 0.442 159 I N 2.089 122.665 120.570 0.010 0.000 2.646 159 I HA 0.834 5.005 4.170 0.001 0.000 0.299 159 I C -0.318 175.780 176.117 -0.032 0.000 1.036 159 I CA -0.571 60.731 61.300 0.003 0.000 1.074 159 I CB 2.176 40.195 38.000 0.032 0.000 1.258 159 I HN 0.639 nan 8.210 nan 0.000 0.430 160 S N 3.421 119.017 115.700 -0.172 0.000 2.566 160 S HA 0.882 5.353 4.470 0.001 0.000 0.298 160 S C -1.191 173.365 174.600 -0.074 0.000 1.083 160 S CA -0.571 57.301 58.200 -0.548 0.000 0.978 160 S CB 1.503 64.058 63.200 -1.074 0.000 1.073 160 S HN 1.048 nan 8.310 nan 0.000 0.491 161 W N -1.044 120.033 121.300 -0.372 0.000 3.005 161 W HA 0.703 5.364 4.660 0.001 0.000 0.343 161 W C -3.656 172.714 176.519 -0.249 0.000 1.243 161 W CA -2.186 55.012 57.345 -0.244 0.000 1.186 161 W CB -0.322 29.035 29.460 -0.173 0.000 1.453 161 W HN 0.481 nan 8.180 nan 0.000 0.575 162 P HA 0.032 nan 4.420 nan 0.000 0.266 162 P C -0.108 176.910 177.300 -0.471 0.000 1.195 162 P CA 0.028 62.986 63.100 -0.238 0.000 0.768 162 P CB 0.458 32.089 31.700 -0.115 0.000 0.838 163 L N 3.749 124.600 121.223 -0.620 0.000 2.667 163 L HA -0.128 4.213 4.340 0.001 0.000 0.278 163 L C 0.731 177.086 176.870 -0.858 0.000 1.217 163 L CA 1.521 55.745 54.840 -1.026 0.000 0.935 163 L CB -1.006 40.650 42.059 -0.671 0.000 1.193 163 L HN 0.565 nan 8.230 nan 0.000 0.493 164 S N 1.166 116.122 115.700 -1.239 0.000 2.929 164 S HA -0.212 4.259 4.470 0.001 0.000 0.271 164 S C 0.793 175.362 174.600 -0.052 0.000 1.295 164 S CA 1.224 59.194 58.200 -0.383 0.000 1.277 164 S CB -1.423 61.627 63.200 -0.250 0.000 1.557 164 S HN 0.813 nan 8.310 nan 0.000 0.666 165 S N 2.711 118.397 115.700 -0.024 0.000 2.600 165 S HA 0.452 4.923 4.470 0.001 0.000 0.265 165 S C -1.911 172.887 174.600 0.330 0.000 1.325 165 S CA -0.681 57.601 58.200 0.137 0.000 1.002 165 S CB 0.571 63.854 63.200 0.137 0.000 0.921 165 S HN 0.323 nan 8.310 nan 0.000 0.554 166 P HA 0.318 nan 4.420 nan 0.000 0.279 166 P C -2.894 174.055 177.300 -0.585 0.000 1.252 166 P CA -2.340 60.730 63.100 -0.049 0.000 0.811 166 P CB -0.167 31.491 31.700 -0.070 0.000 1.035 167 P HA 0.084 nan 4.420 nan 0.000 0.277 167 P C -0.067 176.798 177.300 -0.724 0.000 1.354 167 P CA 0.301 62.476 63.100 -1.541 0.000 0.891 167 P CB -0.351 30.153 31.700 -1.992 0.000 1.058 168 T N -0.836 113.417 114.554 -0.502 0.000 2.944 168 T HA 0.237 4.588 4.350 0.001 0.000 0.284 168 T C 1.406 175.861 174.700 -0.409 0.000 1.010 168 T CA -0.717 61.154 62.100 -0.382 0.000 1.025 168 T CB 0.696 69.419 68.868 -0.242 0.000 1.079 168 T HN -0.039 nan 8.240 nan 0.000 0.516 169 V N 0.947 120.522 119.914 -0.565 0.000 2.380 169 V HA -0.163 3.958 4.120 0.001 0.000 0.251 169 V C 1.941 177.759 176.094 -0.460 0.000 1.063 169 V CA 1.765 63.695 62.300 -0.617 0.000 1.055 169 V CB -1.172 30.121 31.823 -0.883 0.000 0.657 169 V HN 0.902 nan 8.190 nan 0.000 0.455 170 Y N 0.778 121.023 120.300 -0.092 0.000 2.476 170 Y HA 0.107 4.658 4.550 0.001 0.000 0.283 170 Y C 2.144 178.005 175.900 -0.065 0.000 1.109 170 Y CA 0.464 58.523 58.100 -0.070 0.000 1.246 170 Y CB -0.429 37.995 38.460 -0.061 0.000 1.068 170 Y HN 0.547 nan 8.280 nan 0.000 0.552 171 N N -1.304 117.400 118.700 0.006 0.000 2.197 171 N HA 0.071 4.811 4.740 0.001 0.000 0.201 171 N C -0.257 175.249 175.510 -0.008 0.000 1.148 171 N CA 0.059 53.115 53.050 0.009 0.000 0.883 171 N CB -0.154 38.344 38.487 0.019 0.000 1.012 171 N HN -0.116 nan 8.380 nan 0.000 0.507 172 S N 1.124 116.785 115.700 -0.065 0.000 2.499 172 S HA 0.194 4.664 4.470 0.001 0.000 0.275 172 S C -0.054 174.520 174.600 -0.044 0.000 1.257 172 S CA -0.608 57.562 58.200 -0.049 0.000 1.050 172 S CB 1.225 64.335 63.200 -0.151 0.000 0.937 172 S HN 0.329 nan 8.310 nan 0.000 0.490 173 R N 3.117 123.596 120.500 -0.035 0.000 2.255 173 R HA 0.417 4.758 4.340 0.001 0.000 0.326 173 R C -1.191 175.056 176.300 -0.089 0.000 0.986 173 R CA -0.465 55.596 56.100 -0.065 0.000 0.847 173 R CB 0.568 30.824 30.300 -0.074 0.000 1.111 173 R HN 0.435 nan 8.270 nan 0.000 0.452 174 V N 5.508 125.362 119.914 -0.100 0.000 2.455 174 V HA 0.052 4.172 4.120 0.001 0.000 0.273 174 V C 0.795 176.764 176.094 -0.209 0.000 1.045 174 V CA -0.033 62.187 62.300 -0.134 0.000 0.976 174 V CB 1.387 33.137 31.823 -0.121 0.000 0.993 174 V HN 0.897 nan 8.190 nan 0.000 0.475 175 E N 2.888 122.945 120.200 -0.238 0.000 2.140 175 E HA 0.089 4.439 4.350 0.001 0.000 0.191 175 E C 0.446 176.601 176.600 -0.741 0.000 0.973 175 E CA 0.898 57.087 56.400 -0.351 0.000 0.829 175 E CB 0.410 30.005 29.700 -0.175 0.000 0.781 175 E HN 0.915 nan 8.360 nan 0.000 0.466 176 C N -1.005 117.950 119.300 -0.574 0.000 3.045 176 C HA 0.459 4.919 4.460 0.001 0.000 0.338 176 C C -1.007 173.831 174.990 -0.254 0.000 1.267 176 C CA -1.431 57.211 59.018 -0.627 0.000 1.177 176 C CB 0.420 27.661 27.740 -0.831 0.000 1.380 176 C HN 0.013 nan 8.230 nan 0.000 0.469 177 I N 2.438 122.926 120.570 -0.136 0.000 2.353 177 I HA 0.816 4.986 4.170 0.001 0.000 0.293 177 I C 0.885 176.935 176.117 -0.112 0.000 0.992 177 I CA 1.216 62.468 61.300 -0.079 0.000 1.268 177 I CB 0.527 38.510 38.000 -0.027 0.000 1.387 177 I HN 1.533 nan 8.210 nan 0.000 0.478 178 G N 6.326 115.051 108.800 -0.125 0.000 2.359 178 G HA2 0.098 4.058 3.960 0.001 0.000 0.293 178 G HA3 0.098 4.058 3.960 0.001 0.000 0.293 178 G C -0.947 173.898 174.900 -0.090 0.000 1.300 178 G CA -0.467 44.476 45.100 -0.263 0.000 0.888 178 G HN 0.661 nan 8.290 nan 0.000 0.541 179 W N -0.369 120.936 121.300 0.008 0.000 2.499 179 W HA 0.637 5.298 4.660 0.001 0.000 0.362 179 W C -0.026 176.515 176.519 0.035 0.000 0.945 179 W CA 0.137 57.492 57.345 0.017 0.000 1.721 179 W CB 0.450 29.910 29.460 0.001 0.000 1.156 179 W HN 0.813 nan 8.180 nan 0.000 0.547 180 S N 1.768 117.565 115.700 0.162 0.000 2.536 180 S HA 0.620 5.091 4.470 0.001 0.000 0.271 180 S C -0.716 173.905 174.600 0.035 0.000 1.134 180 S CA -0.102 58.202 58.200 0.173 0.000 0.897 180 S CB 1.856 65.192 63.200 0.226 0.000 1.094 180 S HN 0.232 nan 8.310 nan 0.000 0.473 181 S N 2.052 117.786 115.700 0.057 0.000 2.607 181 S HA 0.868 5.338 4.470 0.001 0.000 0.273 181 S C -0.747 173.821 174.600 -0.054 0.000 1.148 181 S CA -0.469 57.751 58.200 0.034 0.000 0.833 181 S CB 1.754 65.046 63.200 0.152 0.000 1.130 181 S HN 0.841 nan 8.310 nan 0.000 0.470 182 T N -0.014 114.496 114.554 -0.072 0.000 2.792 182 T HA 0.800 5.151 4.350 0.001 0.000 0.303 182 T C -1.634 173.041 174.700 -0.041 0.000 1.310 182 T CA -0.193 61.807 62.100 -0.167 0.000 1.007 182 T CB 1.575 70.298 68.868 -0.240 0.000 1.335 182 T HN 1.312 nan 8.240 nan 0.000 0.504 183 S N -0.140 115.523 115.700 -0.062 0.000 2.556 183 S HA 0.681 5.152 4.470 0.001 0.000 0.280 183 S C -1.519 173.061 174.600 -0.034 0.000 1.141 183 S CA -0.323 57.854 58.200 -0.038 0.000 0.883 183 S CB 0.117 63.260 63.200 -0.095 0.000 1.103 183 S HN 1.400 nan 8.310 nan 0.000 0.453 184 c N 2.637 121.254 118.600 0.027 0.000 3.307 184 c HA 0.692 5.262 4.570 0.001 0.000 0.333 184 c C -1.151 173.046 174.090 0.177 0.000 1.291 184 c CA -0.875 55.525 56.329 0.118 0.000 1.273 184 c CB 0.971 43.552 42.510 0.118 0.000 1.580 184 c HN 0.986 nan 8.230 nan 0.000 0.481 185 H N 1.391 120.592 119.070 0.218 0.000 2.458 185 H HA 0.372 4.929 4.556 0.001 0.000 0.330 185 H C -0.125 175.435 175.328 0.387 0.000 1.111 185 H CA 0.543 56.722 56.048 0.219 0.000 1.245 185 H CB 2.061 31.844 29.762 0.034 0.000 1.456 185 H HN 0.966 nan 8.280 nan 0.000 0.488 186 D N 1.886 122.483 120.400 0.329 0.000 2.349 186 D HA 0.117 4.758 4.640 0.001 0.000 0.214 186 D C 1.434 178.163 176.300 0.716 0.000 1.063 186 D CA 0.589 54.883 54.000 0.489 0.000 0.847 186 D CB 0.457 41.510 40.800 0.422 0.000 0.933 186 D HN 0.860 nan 8.370 nan 0.000 0.513 187 G N 0.533 109.842 108.800 0.849 0.000 2.254 187 G HA2 -0.330 3.631 3.960 0.001 0.000 0.225 187 G HA3 -0.330 3.631 3.960 0.001 0.000 0.225 187 G C 1.435 176.580 174.900 0.409 0.000 1.003 187 G CA 0.151 45.668 45.100 0.695 0.000 0.622 187 G HN 0.398 nan 8.290 nan 0.000 0.507 188 R N 0.207 120.901 120.500 0.323 0.000 2.225 188 R HA 0.686 5.027 4.340 0.001 0.000 0.194 188 R C 0.925 177.245 176.300 0.033 0.000 0.949 188 R CA 1.108 57.283 56.100 0.124 0.000 1.088 188 R CB 0.662 30.916 30.300 -0.077 0.000 1.106 188 R HN 0.877 nan 8.270 nan 0.000 0.566 189 A N 0.567 123.238 122.820 -0.248 0.000 2.599 189 A HA 0.543 4.864 4.320 0.001 0.000 0.290 189 A C -1.553 175.440 177.584 -0.986 0.000 1.101 189 A CA -0.749 50.880 52.037 -0.680 0.000 0.674 189 A CB 1.241 19.817 19.000 -0.707 0.000 1.277 189 A HN 0.128 nan 8.150 nan 0.000 0.419 190 R N 0.675 120.727 120.500 -0.747 0.000 2.349 190 R HA 0.615 4.956 4.340 0.001 0.000 0.299 190 R C -0.388 175.808 176.300 -0.173 0.000 1.027 190 R CA -0.337 55.550 56.100 -0.355 0.000 0.958 190 R CB 0.823 31.080 30.300 -0.072 0.000 1.047 190 R HN 0.833 nan 8.270 nan 0.000 0.468 191 M N 3.151 122.779 119.600 0.047 0.000 2.238 191 M HA 0.328 4.809 4.480 0.001 0.000 0.350 191 M C -1.332 175.005 176.300 0.063 0.000 1.138 191 M CA -0.085 55.304 55.300 0.148 0.000 1.040 191 M CB 1.684 34.390 32.600 0.176 0.000 1.639 191 M HN 0.575 nan 8.290 nan 0.000 0.451 192 S N 5.617 121.365 115.700 0.080 0.000 2.521 192 S HA 0.699 5.170 4.470 0.001 0.000 0.295 192 S C -0.917 173.711 174.600 0.047 0.000 1.098 192 S CA -0.681 57.537 58.200 0.029 0.000 0.999 192 S CB 1.531 64.717 63.200 -0.023 0.000 1.034 192 S HN 0.709 nan 8.310 nan 0.000 0.483 193 I N 1.738 122.306 120.570 -0.004 0.000 2.466 193 I HA 0.492 4.662 4.170 0.001 0.000 0.289 193 I C -0.785 175.330 176.117 -0.003 0.000 1.026 193 I CA -0.467 60.839 61.300 0.010 0.000 1.078 193 I CB 1.681 39.657 38.000 -0.040 0.000 1.249 193 I HN 0.511 nan 8.210 nan 0.000 0.429 194 C N 6.932 126.236 119.300 0.006 0.000 2.626 194 C HA 0.669 5.130 4.460 0.001 0.000 0.310 194 C C -0.350 174.558 174.990 -0.137 0.000 1.191 194 C CA -0.450 58.526 59.018 -0.070 0.000 1.517 194 C CB 1.387 29.069 27.740 -0.097 0.000 2.102 194 C HN 0.627 nan 8.230 nan 0.000 0.479 195 I N 3.858 124.243 120.570 -0.308 0.000 2.493 195 I HA 0.622 4.793 4.170 0.001 0.000 0.298 195 I C 0.194 175.667 176.117 -1.075 0.000 0.998 195 I CA 0.393 61.358 61.300 -0.559 0.000 1.137 195 I CB 1.915 39.590 38.000 -0.541 0.000 1.310 195 I HN 0.796 nan 8.210 nan 0.000 0.445 196 S N 3.411 118.573 115.700 -0.896 0.000 2.638 196 S HA 1.015 5.486 4.470 0.001 0.000 0.274 196 S C -0.465 173.969 174.600 -0.277 0.000 1.157 196 S CA -0.273 57.408 58.200 -0.865 0.000 0.826 196 S CB 2.166 65.137 63.200 -0.382 0.000 1.139 196 S HN 1.379 nan 8.310 nan 0.000 0.474 197 G N 0.397 109.284 108.800 0.145 0.000 2.355 197 G HA2 0.299 4.260 3.960 0.001 0.000 0.619 197 G HA3 0.299 4.260 3.960 0.001 0.000 0.619 197 G C -3.555 171.561 174.900 0.360 0.000 1.337 197 G CA -0.357 44.874 45.100 0.218 0.000 0.993 197 G HN 0.779 nan 8.290 nan 0.000 0.599 198 P HA 0.292 nan 4.420 nan 0.000 0.276 198 P C 0.522 177.873 177.300 0.085 0.000 1.261 198 P CA -0.480 62.670 63.100 0.083 0.000 0.800 198 P CB 0.672 32.388 31.700 0.026 0.000 1.066 199 N N 0.414 119.105 118.700 -0.014 0.000 2.205 199 N HA -0.165 4.576 4.740 0.001 0.000 0.186 199 N C 1.263 176.770 175.510 -0.005 0.000 1.015 199 N CA 1.490 54.518 53.050 -0.037 0.000 0.862 199 N CB -0.881 37.549 38.487 -0.095 0.000 0.986 199 N HN 0.640 nan 8.380 nan 0.000 0.429 200 N N -1.376 117.321 118.700 -0.005 0.000 2.336 200 N HA 0.043 4.783 4.740 0.001 0.000 0.189 200 N C -0.139 175.369 175.510 -0.003 0.000 1.113 200 N CA 0.017 53.061 53.050 -0.010 0.000 0.858 200 N CB 0.301 38.780 38.487 -0.012 0.000 0.970 200 N HN -0.107 nan 8.380 nan 0.000 0.471 201 N N 0.384 119.093 118.700 0.015 0.000 2.550 201 N HA 0.224 4.965 4.740 0.001 0.000 0.277 201 N C -1.390 174.131 175.510 0.018 0.000 1.595 201 N CA -0.153 52.901 53.050 0.008 0.000 0.888 201 N CB 1.192 39.685 38.487 0.009 0.000 1.424 201 N HN 0.330 nan 8.380 nan 0.000 0.501 202 A N 0.336 123.173 122.820 0.028 0.000 2.271 202 A HA 0.818 5.139 4.320 0.001 0.000 0.288 202 A C 0.219 177.754 177.584 -0.083 0.000 1.094 202 A CA -0.169 51.883 52.037 0.025 0.000 0.828 202 A CB 0.569 19.674 19.000 0.174 0.000 1.091 202 A HN 0.339 nan 8.150 nan 0.000 0.493 203 S N -0.877 114.740 115.700 -0.137 0.000 2.537 203 S HA 0.734 5.205 4.470 0.001 0.000 0.270 203 S C -0.640 173.857 174.600 -0.171 0.000 1.142 203 S CA -0.112 58.000 58.200 -0.146 0.000 0.870 203 S CB 1.259 64.399 63.200 -0.099 0.000 1.112 203 S HN 2.005 nan 8.310 nan 0.000 0.466 204 A N 1.704 124.439 122.820 -0.142 0.000 2.305 204 A HA 0.795 5.116 4.320 0.001 0.000 0.322 204 A C -0.559 176.994 177.584 -0.052 0.000 1.187 204 A CA -0.780 51.208 52.037 -0.081 0.000 0.825 204 A CB 0.830 19.807 19.000 -0.038 0.000 1.164 204 A HN 1.126 nan 8.150 nan 0.000 0.498 205 V N 3.187 123.109 119.914 0.013 0.000 2.448 205 V HA 0.378 4.499 4.120 0.001 0.000 0.295 205 V C -0.750 175.424 176.094 0.134 0.000 1.025 205 V CA -0.224 62.104 62.300 0.046 0.000 0.859 205 V CB 1.339 33.228 31.823 0.110 0.000 0.988 205 V HN 0.708 nan 8.190 nan 0.000 0.431 206 I N 4.412 124.996 120.570 0.023 0.000 2.328 206 I HA 0.402 4.573 4.170 0.001 0.000 0.287 206 I C -0.692 175.451 176.117 0.044 0.000 1.012 206 I CA 0.100 61.399 61.300 -0.001 0.000 1.195 206 I CB 0.998 38.871 38.000 -0.211 0.000 1.350 206 I HN 0.521 nan 8.210 nan 0.000 0.464 207 W N 6.693 127.966 121.300 -0.045 0.000 2.496 207 W HA 0.508 5.169 4.660 0.001 0.000 0.327 207 W C -0.585 175.981 176.519 0.079 0.000 1.086 207 W CA -0.551 56.801 57.345 0.010 0.000 1.222 207 W CB 0.777 30.233 29.460 -0.006 0.000 1.304 207 W HN 0.289 nan 8.180 nan 0.000 0.547 208 Y N 2.977 123.363 120.300 0.143 0.000 2.442 208 Y HA 0.250 4.800 4.550 0.001 0.000 0.344 208 Y C 0.543 176.502 175.900 0.099 0.000 0.976 208 Y CA -1.508 56.647 58.100 0.093 0.000 1.040 208 Y CB 1.387 39.878 38.460 0.053 0.000 1.228 208 Y HN 0.591 nan 8.280 nan 0.000 0.451 209 N N 3.962 122.383 118.700 -0.464 0.000 2.721 209 N HA -0.275 4.466 4.740 0.001 0.000 0.249 209 N C -0.221 175.275 175.510 -0.022 0.000 1.072 209 N CA 1.676 54.553 53.050 -0.289 0.000 0.710 209 N CB -0.578 37.757 38.487 -0.254 0.000 0.993 209 N HN 0.885 nan 8.380 nan 0.000 0.547 210 R N -3.311 117.248 120.500 0.098 0.000 3.936 210 R HA -0.221 4.120 4.340 0.001 0.000 0.366 210 R C -0.539 176.024 176.300 0.439 0.000 1.158 210 R CA 1.381 57.630 56.100 0.249 0.000 0.969 210 R CB -1.738 28.630 30.300 0.114 0.000 1.504 210 R HN 0.524 nan 8.270 nan 0.000 0.538 211 R N 0.733 121.419 120.500 0.310 0.000 2.686 211 R HA 0.401 4.742 4.340 0.001 0.000 0.286 211 R C -2.507 173.593 176.300 -0.332 0.000 0.969 211 R CA -2.061 54.044 56.100 0.007 0.000 0.898 211 R CB 2.156 32.450 30.300 -0.011 0.000 1.183 211 R HN -0.163 nan 8.270 nan 0.000 0.456 212 P HA 0.032 nan 4.420 nan 0.000 0.271 212 P C -0.103 176.945 177.300 -0.419 0.000 1.216 212 P CA -0.023 62.428 63.100 -1.080 0.000 0.771 212 P CB 1.328 32.312 31.700 -1.193 0.000 0.864 213 V N 1.853 121.614 119.914 -0.256 0.000 3.137 213 V HA 0.159 4.280 4.120 0.001 0.000 0.236 213 V C 0.796 176.846 176.094 -0.073 0.000 1.260 213 V CA 1.168 63.407 62.300 -0.102 0.000 1.244 213 V CB 0.323 32.143 31.823 -0.005 0.000 1.016 213 V HN 0.540 nan 8.190 nan 0.000 0.477 214 T N 0.555 115.068 114.554 -0.069 0.000 2.903 214 T HA 0.707 5.058 4.350 0.001 0.000 0.299 214 T C -1.432 173.239 174.700 -0.048 0.000 1.093 214 T CA -0.414 61.675 62.100 -0.018 0.000 1.002 214 T CB 2.763 71.679 68.868 0.080 0.000 1.127 214 T HN 0.218 nan 8.240 nan 0.000 0.488 215 E N 0.956 121.131 120.200 -0.042 0.000 2.340 215 E HA 0.699 5.050 4.350 0.001 0.000 0.273 215 E C -1.118 175.433 176.600 -0.081 0.000 0.891 215 E CA -0.549 55.813 56.400 -0.064 0.000 0.757 215 E CB 2.155 31.816 29.700 -0.066 0.000 1.231 215 E HN 0.454 nan 8.360 nan 0.000 0.439 216 I N 1.873 122.369 120.570 -0.124 0.000 2.478 216 I HA 0.348 4.519 4.170 0.001 0.000 0.287 216 I C -0.566 175.470 176.117 -0.136 0.000 1.042 216 I CA -1.014 60.183 61.300 -0.172 0.000 1.067 216 I CB 1.818 39.604 38.000 -0.356 0.000 1.233 216 I HN 0.371 nan 8.210 nan 0.000 0.431 217 N N 2.770 121.425 118.700 -0.075 0.000 2.503 217 N HA 0.116 4.857 4.740 0.001 0.000 0.267 217 N C -0.039 175.434 175.510 -0.062 0.000 1.214 217 N CA 0.207 53.222 53.050 -0.058 0.000 0.959 217 N CB 1.034 39.512 38.487 -0.016 0.000 1.142 217 N HN 0.582 nan 8.380 nan 0.000 0.455 218 T N 1.897 116.369 114.554 -0.136 0.000 2.905 218 T HA -0.027 4.324 4.350 0.001 0.000 0.299 218 T C 0.883 175.540 174.700 -0.072 0.000 1.024 218 T CA 0.452 62.398 62.100 -0.256 0.000 1.151 218 T CB -0.010 68.744 68.868 -0.191 0.000 0.987 218 T HN 0.634 nan 8.240 nan 0.000 0.535 219 W N 3.664 124.948 121.300 -0.026 0.000 3.107 219 W HA 0.611 5.272 4.660 0.001 0.000 0.293 219 W C 1.209 177.741 176.519 0.022 0.000 1.239 219 W CA 0.036 57.378 57.345 -0.004 0.000 1.653 219 W CB -0.065 29.393 29.460 -0.002 0.000 1.068 219 W HN 0.683 nan 8.180 nan 0.000 0.615 220 A N 0.678 123.459 122.820 -0.066 0.000 2.551 220 A HA 0.385 4.706 4.320 0.001 0.000 0.252 220 A C 1.122 178.686 177.584 -0.035 0.000 1.199 220 A CA -0.380 51.670 52.037 0.022 0.000 0.972 220 A CB -0.206 18.819 19.000 0.041 0.000 1.153 220 A HN 0.159 nan 8.150 nan 0.000 0.559 221 R N -0.519 119.932 120.500 -0.082 0.000 3.525 221 R HA -0.180 4.161 4.340 0.001 0.000 0.276 221 R C -0.552 175.716 176.300 -0.053 0.000 1.116 221 R CA 0.923 56.990 56.100 -0.054 0.000 0.745 221 R CB -2.081 28.210 30.300 -0.015 0.000 1.185 221 R HN 0.420 nan 8.270 nan 0.000 0.454 222 N N 0.561 119.212 118.700 -0.081 0.000 2.839 222 N HA 0.201 4.942 4.740 0.001 0.000 0.230 222 N C -0.639 174.833 175.510 -0.065 0.000 1.388 222 N CA -0.455 52.558 53.050 -0.061 0.000 0.747 222 N CB 0.423 38.880 38.487 -0.050 0.000 1.411 222 N HN 0.303 nan 8.380 nan 0.000 0.556 223 I N 0.686 121.237 120.570 -0.032 0.000 7.179 223 I HA -0.323 3.848 4.170 0.001 0.000 0.126 223 I C -0.071 176.081 176.117 0.057 0.000 1.827 223 I CA 0.001 61.321 61.300 0.033 0.000 2.067 223 I CB -0.820 37.150 38.000 -0.050 0.000 3.592 223 I HN 0.357 nan 8.210 nan 0.000 0.178 224 L N 6.262 127.490 121.223 0.008 0.000 2.578 224 L HA 0.266 4.606 4.340 0.001 0.000 0.279 224 L C 0.805 177.753 176.870 0.130 0.000 1.227 224 L CA 0.936 55.708 54.840 -0.114 0.000 0.900 224 L CB 0.197 42.091 42.059 -0.276 0.000 1.144 224 L HN 0.582 nan 8.230 nan 0.000 0.496 225 R N 2.460 123.044 120.500 0.141 0.000 2.692 225 R HA 0.659 5.000 4.340 0.001 0.000 0.269 225 R C -1.065 175.320 176.300 0.142 0.000 1.030 225 R CA -0.687 55.533 56.100 0.200 0.000 0.882 225 R CB 1.322 31.745 30.300 0.205 0.000 1.250 225 R HN 0.572 nan 8.270 nan 0.000 0.465 226 T N -1.161 113.410 114.554 0.028 0.000 2.565 226 T HA 0.192 4.543 4.350 0.001 0.000 0.266 226 T C 0.488 175.116 174.700 -0.120 0.000 0.905 226 T CA -0.377 61.614 62.100 -0.183 0.000 1.122 226 T CB 1.516 70.037 68.868 -0.578 0.000 1.437 226 T HN 0.652 nan 8.240 nan 0.000 0.506 227 Q N 0.199 119.879 119.800 -0.200 0.000 2.079 227 Q HA -0.017 4.324 4.340 0.001 0.000 0.200 227 Q C -0.113 175.818 176.000 -0.115 0.000 0.974 227 Q CA 1.248 56.956 55.803 -0.157 0.000 0.840 227 Q CB 0.038 28.653 28.738 -0.206 0.000 0.898 227 Q HN 0.645 nan 8.270 nan 0.000 0.430 228 E N -0.182 119.934 120.200 -0.141 0.000 3.070 228 E HA -0.166 4.185 4.350 0.001 0.000 0.285 228 E C -0.398 175.999 176.600 -0.338 0.000 0.972 228 E CA 1.154 57.504 56.400 -0.083 0.000 0.915 228 E CB -2.288 27.532 29.700 0.200 0.000 1.466 228 E HN 0.484 nan 8.360 nan 0.000 0.432 229 S N -1.551 113.736 115.700 -0.689 0.000 2.672 229 S HA 0.491 4.962 4.470 0.001 0.000 0.271 229 S C -0.311 173.822 174.600 -0.777 0.000 1.171 229 S CA -0.678 56.999 58.200 -0.872 0.000 0.817 229 S CB 2.015 65.185 63.200 -0.051 0.000 1.150 229 S HN 0.242 nan 8.310 nan 0.000 0.478 230 E N -0.055 119.931 120.200 -0.356 0.000 2.383 230 E HA 0.455 4.806 4.350 0.001 0.000 0.264 230 E C 0.499 177.059 176.600 -0.066 0.000 1.050 230 E CA -0.908 55.411 56.400 -0.135 0.000 0.896 230 E CB 0.287 30.041 29.700 0.091 0.000 0.982 230 E HN 0.843 nan 8.360 nan 0.000 0.424 231 c N 1.430 120.000 118.600 -0.050 0.000 2.411 231 c HA 0.779 5.349 4.570 0.001 0.000 0.358 231 c C 0.120 174.225 174.090 0.024 0.000 1.349 231 c CA -0.857 55.459 56.329 -0.022 0.000 2.326 231 c CB 0.006 42.502 42.510 -0.023 0.000 2.166 231 c HN 0.590 nan 8.230 nan 0.000 0.609 232 V N -0.403 119.504 119.914 -0.013 0.000 2.841 232 V HA 0.549 4.669 4.120 0.001 0.000 0.310 232 V C -0.356 175.691 176.094 -0.079 0.000 1.090 232 V CA -0.234 62.011 62.300 -0.093 0.000 0.930 232 V CB 1.146 32.886 31.823 -0.139 0.000 1.014 232 V HN 1.197 nan 8.190 nan 0.000 0.425 233 c N 2.959 121.486 118.600 -0.121 0.000 2.614 233 c HA 0.880 5.450 4.570 0.001 0.000 0.320 233 c C -0.258 173.780 174.090 -0.087 0.000 1.200 233 c CA -0.567 55.736 56.329 -0.044 0.000 1.700 233 c CB 1.426 43.968 42.510 0.055 0.000 2.275 233 c HN 0.968 nan 8.230 nan 0.000 0.492 234 Q N 1.757 121.531 119.800 -0.043 0.000 2.263 234 Q HA 0.386 4.727 4.340 0.001 0.000 0.266 234 Q C -0.100 175.878 176.000 -0.038 0.000 1.002 234 Q CA 0.008 55.796 55.803 -0.025 0.000 0.790 234 Q CB 0.619 29.351 28.738 -0.010 0.000 1.272 234 Q HN 0.666 nan 8.270 nan 0.000 0.435 235 N N 3.310 122.013 118.700 0.004 0.000 2.710 235 N HA -0.247 4.494 4.740 0.001 0.000 0.249 235 N C 0.535 175.834 175.510 -0.350 0.000 1.059 235 N CA 2.500 55.543 53.050 -0.013 0.000 0.720 235 N CB -1.190 37.305 38.487 0.014 0.000 0.983 235 N HN 1.402 nan 8.380 nan 0.000 0.544 236 G N -3.133 105.345 108.800 -0.538 0.000 2.199 236 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 236 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 236 G C 0.014 174.642 174.900 -0.454 0.000 0.982 236 G CA 0.262 44.708 45.100 -1.090 0.000 0.632 236 G HN 0.804 nan 8.290 nan 0.000 0.529 237 V N 1.236 121.018 119.914 -0.219 0.000 2.406 237 V HA 0.467 4.588 4.120 0.001 0.000 0.272 237 V C 0.601 176.719 176.094 0.041 0.000 1.043 237 V CA -0.264 62.012 62.300 -0.041 0.000 0.915 237 V CB 1.295 33.122 31.823 0.007 0.000 0.988 237 V HN 0.463 nan 8.190 nan 0.000 0.466 238 c N 7.498 126.169 118.600 0.118 0.000 2.294 238 c HA 0.459 5.030 4.570 0.001 0.000 0.319 238 c C -2.364 171.834 174.090 0.180 0.000 1.164 238 c CA -1.674 54.738 56.329 0.139 0.000 1.497 238 c CB 0.430 43.034 42.510 0.157 0.000 2.061 238 c HN 0.609 nan 8.230 nan 0.000 0.438 239 P HA 0.377 nan 4.420 nan 0.000 0.271 239 P C -0.640 176.654 177.300 -0.011 0.000 1.216 239 P CA 0.106 63.141 63.100 -0.107 0.000 0.776 239 P CB 0.731 32.313 31.700 -0.196 0.000 0.881 240 V N 3.399 123.327 119.914 0.025 0.000 2.808 240 V HA 0.255 4.376 4.120 0.001 0.000 0.308 240 V C -0.299 175.804 176.094 0.015 0.000 1.099 240 V CA -0.745 61.580 62.300 0.042 0.000 0.920 240 V CB 2.555 34.503 31.823 0.208 0.000 1.014 240 V HN 0.173 nan 8.190 nan 0.000 0.425 241 V N 4.998 124.846 119.914 -0.110 0.000 2.370 241 V HA 0.549 4.670 4.120 0.001 0.000 0.279 241 V C -0.601 175.438 176.094 -0.091 0.000 1.029 241 V CA -0.288 62.000 62.300 -0.021 0.000 0.870 241 V CB 1.015 32.810 31.823 -0.046 0.000 0.984 241 V HN 0.636 nan 8.190 nan 0.000 0.451 242 F N 1.820 121.898 119.950 0.214 0.000 2.507 242 F HA 0.735 5.262 4.527 0.001 0.000 0.327 242 F C 0.631 176.625 175.800 0.323 0.000 1.068 242 F CA -0.512 57.652 58.000 0.273 0.000 0.965 242 F CB 2.235 41.514 39.000 0.465 0.000 1.192 242 F HN 0.344 nan 8.300 nan 0.000 0.476 243 T N 0.748 115.558 114.554 0.426 0.000 2.893 243 T HA 0.454 4.805 4.350 0.001 0.000 0.291 243 T C -1.771 173.008 174.700 0.130 0.000 1.028 243 T CA -0.706 61.587 62.100 0.322 0.000 0.995 243 T CB 2.073 71.051 68.868 0.185 0.000 1.051 243 T HN 0.422 nan 8.240 nan 0.000 0.470 244 D N 0.032 120.473 120.400 0.068 0.000 2.934 244 D HA 0.631 5.272 4.640 0.001 0.000 0.230 244 D C -0.153 176.117 176.300 -0.050 0.000 1.204 244 D CA 0.430 54.299 54.000 -0.218 0.000 0.873 244 D CB 1.886 42.114 40.800 -0.954 0.000 1.645 244 D HN 1.017 nan 8.370 nan 0.000 0.502 245 G N 1.198 109.959 108.800 -0.064 0.000 2.459 245 G HA2 0.257 4.217 3.960 0.001 0.000 0.685 245 G HA3 0.257 4.217 3.960 0.001 0.000 0.685 245 G C 0.138 175.007 174.900 -0.051 0.000 1.303 245 G CA -0.060 45.023 45.100 -0.028 0.000 0.907 245 G HN 0.818 nan 8.290 nan 0.000 0.632 246 S N -0.114 115.554 115.700 -0.054 0.000 2.536 246 S HA 0.639 5.109 4.470 0.001 0.000 0.248 246 S C 1.952 176.491 174.600 -0.102 0.000 1.287 246 S CA 1.015 59.172 58.200 -0.072 0.000 0.978 246 S CB 0.768 63.925 63.200 -0.071 0.000 0.992 246 S HN 2.380 nan 8.310 nan 0.000 0.539 247 A N -0.071 122.682 122.820 -0.113 0.000 2.115 247 A HA 0.229 4.550 4.320 0.001 0.000 0.211 247 A C 1.985 179.436 177.584 -0.222 0.000 1.169 247 A CA 0.951 52.909 52.037 -0.133 0.000 0.787 247 A CB -1.330 17.593 19.000 -0.129 0.000 0.858 247 A HN 0.949 nan 8.150 nan 0.000 0.474 248 T N -1.938 112.481 114.554 -0.225 0.000 3.595 248 T HA 0.406 4.756 4.350 0.001 0.000 0.185 248 T C 1.626 176.308 174.700 -0.030 0.000 0.714 248 T CA 0.597 62.586 62.100 -0.186 0.000 2.571 248 T CB -1.441 67.330 68.868 -0.160 0.000 2.075 248 T HN 0.927 nan 8.240 nan 0.000 0.333 249 G N 3.211 112.000 108.800 -0.017 0.000 2.689 249 G HA2 0.109 4.070 3.960 0.001 0.000 1.020 249 G HA3 0.109 4.070 3.960 0.001 0.000 1.020 249 G C -2.011 172.926 174.900 0.062 0.000 1.135 249 G CA -0.006 45.108 45.100 0.023 0.000 1.645 249 G HN 0.832 nan 8.290 nan 0.000 0.928 250 P HA 0.535 nan 4.420 nan 0.000 0.275 250 P C -0.577 176.778 177.300 0.092 0.000 1.227 250 P CA 0.409 63.567 63.100 0.097 0.000 0.781 250 P CB 1.439 33.194 31.700 0.092 0.000 0.906 251 A N 1.645 124.547 122.820 0.136 0.000 2.594 251 A HA 0.650 4.970 4.320 0.001 0.000 0.296 251 A C -1.367 176.358 177.584 0.235 0.000 1.061 251 A CA -0.466 51.640 52.037 0.114 0.000 0.689 251 A CB 1.495 20.461 19.000 -0.057 0.000 1.280 251 A HN 0.570 nan 8.150 nan 0.000 0.406 252 E N 0.791 121.178 120.200 0.312 0.000 2.481 252 E HA 0.434 4.784 4.350 0.001 0.000 0.301 252 E C -1.398 175.494 176.600 0.485 0.000 0.948 252 E CA -0.299 56.340 56.400 0.398 0.000 0.804 252 E CB 1.619 31.547 29.700 0.380 0.000 1.265 252 E HN 0.616 nan 8.360 nan 0.000 0.406 253 T N 3.936 118.698 114.554 0.347 0.000 2.837 253 T HA 0.539 4.890 4.350 0.001 0.000 0.285 253 T C -0.284 174.535 174.700 0.198 0.000 0.984 253 T CA -0.500 61.791 62.100 0.319 0.000 1.049 253 T CB 0.858 69.870 68.868 0.240 0.000 0.947 253 T HN 0.291 nan 8.240 nan 0.000 0.472 254 R N 1.936 122.573 120.500 0.227 0.000 2.750 254 R HA 0.610 4.951 4.340 0.001 0.000 0.281 254 R C -0.963 175.413 176.300 0.127 0.000 0.972 254 R CA -0.870 55.263 56.100 0.055 0.000 0.912 254 R CB 2.064 32.257 30.300 -0.178 0.000 1.187 254 R HN 0.518 nan 8.270 nan 0.000 0.464 255 I N 2.615 123.149 120.570 -0.060 0.000 2.355 255 I HA 0.289 4.460 4.170 0.001 0.000 0.288 255 I C -0.925 175.062 176.117 -0.217 0.000 0.999 255 I CA -0.622 60.587 61.300 -0.152 0.000 1.163 255 I CB 0.835 38.602 38.000 -0.388 0.000 1.316 255 I HN 0.367 nan 8.210 nan 0.000 0.454 256 Y N 5.370 125.583 120.300 -0.145 0.000 2.342 256 Y HA 0.422 4.973 4.550 0.001 0.000 0.334 256 Y C -0.644 174.950 175.900 -0.509 0.000 1.067 256 Y CA -0.343 57.599 58.100 -0.264 0.000 1.128 256 Y CB 1.172 39.408 38.460 -0.373 0.000 1.200 256 Y HN 0.336 nan 8.280 nan 0.000 0.464 257 Y N 3.482 123.676 120.300 -0.176 0.000 2.369 257 Y HA 0.415 4.966 4.550 0.001 0.000 0.337 257 Y C -0.952 174.818 175.900 -0.217 0.000 0.961 257 Y CA -0.914 57.114 58.100 -0.119 0.000 1.186 257 Y CB 0.392 38.809 38.460 -0.070 0.000 1.139 257 Y HN 0.387 nan 8.280 nan 0.000 0.494 258 F N 2.475 122.545 119.950 0.201 0.000 2.425 258 F HA 0.578 5.106 4.527 0.001 0.000 0.331 258 F C 0.027 175.838 175.800 0.018 0.000 1.085 258 F CA -1.125 56.944 58.000 0.116 0.000 1.028 258 F CB 1.756 40.813 39.000 0.095 0.000 1.177 258 F HN 0.211 nan 8.300 nan 0.000 0.487 259 K N 1.704 122.193 120.400 0.148 0.000 2.541 259 K HA 0.280 4.601 4.320 0.001 0.000 0.250 259 K C -0.630 175.871 176.600 -0.165 0.000 0.950 259 K CA -0.398 55.858 56.287 -0.051 0.000 0.805 259 K CB 0.909 33.353 32.500 -0.093 0.000 1.166 259 K HN 0.755 nan 8.250 nan 0.000 0.430 260 E N 2.571 122.491 120.200 -0.466 0.000 2.440 260 E HA -0.281 4.069 4.350 0.001 0.000 0.246 260 E C 0.464 176.627 176.600 -0.727 0.000 1.165 260 E CA 0.692 56.399 56.400 -1.155 0.000 0.726 260 E CB -1.570 27.801 29.700 -0.547 0.000 1.271 260 E HN 1.165 nan 8.360 nan 0.000 0.397 261 G N -0.088 108.509 108.800 -0.338 0.000 2.189 261 G HA2 -0.383 3.578 3.960 0.001 0.000 0.267 261 G HA3 -0.383 3.578 3.960 0.001 0.000 0.267 261 G C 0.199 175.175 174.900 0.125 0.000 0.975 261 G CA 1.001 46.073 45.100 -0.045 0.000 0.644 261 G HN 0.289 nan 8.290 nan 0.000 0.537 262 K N -0.278 120.210 120.400 0.147 0.000 2.123 262 K HA 0.635 4.956 4.320 0.001 0.000 0.259 262 K C 0.320 177.085 176.600 0.276 0.000 0.960 262 K CA -0.953 55.444 56.287 0.183 0.000 0.872 262 K CB 1.529 34.078 32.500 0.081 0.000 1.079 262 K HN 0.167 nan 8.250 nan 0.000 0.440 263 I N 4.292 125.007 120.570 0.241 0.000 2.452 263 I HA -0.050 4.121 4.170 0.001 0.000 0.287 263 I C 1.196 177.392 176.117 0.131 0.000 1.079 263 I CA 0.108 61.503 61.300 0.158 0.000 1.387 263 I CB 0.472 38.628 38.000 0.259 0.000 1.404 263 I HN 0.527 nan 8.210 nan 0.000 0.522 264 L N 5.696 126.966 121.223 0.077 0.000 2.202 264 L HA 0.175 4.516 4.340 0.001 0.000 0.205 264 L C 0.836 177.702 176.870 -0.007 0.000 1.083 264 L CA 0.737 55.596 54.840 0.033 0.000 0.790 264 L CB -0.127 41.936 42.059 0.006 0.000 0.942 264 L HN 0.564 nan 8.230 nan 0.000 0.452 265 K N -0.676 119.751 120.400 0.045 0.000 2.622 265 K HA 0.223 4.544 4.320 0.001 0.000 0.273 265 K C -2.224 174.445 176.600 0.114 0.000 0.957 265 K CA -0.678 55.562 56.287 -0.078 0.000 0.861 265 K CB 1.335 33.732 32.500 -0.173 0.000 1.405 265 K HN 0.057 nan 8.250 nan 0.000 0.406 266 W N 1.610 122.745 121.300 -0.275 0.000 2.902 266 W HA 0.714 5.375 4.660 0.001 0.000 0.346 266 W C -1.138 175.219 176.519 -0.270 0.000 1.139 266 W CA -0.699 56.357 57.345 -0.482 0.000 1.139 266 W CB 1.104 29.770 29.460 -1.323 0.000 1.439 266 W HN 0.400 nan 8.180 nan 0.000 0.558 267 E N 2.138 122.331 120.200 -0.011 0.000 2.314 267 E HA 0.351 4.701 4.350 0.001 0.000 0.272 267 E C -2.498 174.104 176.600 0.003 0.000 0.884 267 E CA -2.250 54.152 56.400 0.005 0.000 0.753 267 E CB 2.989 32.790 29.700 0.168 0.000 1.213 267 E HN 0.110 nan 8.360 nan 0.000 0.432 268 P HA 0.082 nan 4.420 nan 0.000 0.276 268 P C -0.418 176.939 177.300 0.096 0.000 1.244 268 P CA -0.719 62.398 63.100 0.029 0.000 0.801 268 P CB 0.748 32.465 31.700 0.028 0.000 1.006 269 L N 2.377 123.653 121.223 0.089 0.000 2.584 269 L HA 0.110 4.451 4.340 0.001 0.000 0.272 269 L C 0.804 177.803 176.870 0.215 0.000 1.195 269 L CA 1.248 56.175 54.840 0.146 0.000 0.920 269 L CB -0.733 41.398 42.059 0.121 0.000 1.173 269 L HN 0.584 nan 8.230 nan 0.000 0.489 270 T N 1.789 116.575 114.554 0.385 0.000 2.919 270 T HA 0.957 5.308 4.350 0.001 0.000 0.282 270 T C 0.284 175.042 174.700 0.096 0.000 1.020 270 T CA -0.164 62.015 62.100 0.132 0.000 0.994 270 T CB 1.510 70.346 68.868 -0.055 0.000 1.180 270 T HN 1.364 nan 8.240 nan 0.000 0.566 271 G N 0.224 109.028 108.800 0.006 0.000 2.582 271 G HA2 -0.049 3.912 3.960 0.001 0.000 0.222 271 G HA3 -0.049 3.912 3.960 0.001 0.000 0.222 271 G C 0.579 175.494 174.900 0.026 0.000 1.311 271 G CA 0.608 45.710 45.100 0.003 0.000 0.915 271 G HN 1.752 nan 8.290 nan 0.000 0.528 272 T N -1.173 113.405 114.554 0.041 0.000 3.065 272 T HA 0.591 4.942 4.350 0.001 0.000 0.252 272 T C 1.406 176.214 174.700 0.181 0.000 1.099 272 T CA 1.602 63.756 62.100 0.091 0.000 1.063 272 T CB 0.100 69.037 68.868 0.116 0.000 0.948 272 T HN 2.190 nan 8.240 nan 0.000 0.506 273 A N 1.697 124.545 122.820 0.046 0.000 2.524 273 A HA 0.341 4.661 4.320 0.001 0.000 0.250 273 A C 1.465 179.092 177.584 0.071 0.000 1.078 273 A CA -0.289 51.700 52.037 -0.080 0.000 0.761 273 A CB 0.292 19.134 19.000 -0.263 0.000 1.012 273 A HN 0.148 nan 8.150 nan 0.000 0.500 274 K N 0.384 120.894 120.400 0.182 0.000 2.276 274 K HA 0.113 4.434 4.320 0.001 0.000 0.198 274 K C 0.020 176.529 176.600 -0.152 0.000 1.052 274 K CA 0.980 57.264 56.287 -0.004 0.000 0.984 274 K CB 0.117 32.603 32.500 -0.024 0.000 0.836 274 K HN 0.872 nan 8.250 nan 0.000 0.490 275 H N -1.428 117.755 119.070 0.189 0.000 3.008 275 H HA 0.477 5.034 4.556 0.001 0.000 0.354 275 H C -0.981 174.427 175.328 0.133 0.000 1.252 275 H CA -0.678 55.476 56.048 0.177 0.000 1.117 275 H CB 1.846 31.752 29.762 0.240 0.000 1.857 275 H HN -0.150 nan 8.280 nan 0.000 0.547 276 I N 2.005 122.752 120.570 0.294 0.000 2.649 276 I HA 0.183 4.354 4.170 0.001 0.000 0.289 276 I C -0.869 175.321 176.117 0.122 0.000 1.222 276 I CA -0.429 60.965 61.300 0.157 0.000 1.046 276 I CB 2.599 40.663 38.000 0.107 0.000 1.272 276 I HN 0.637 nan 8.210 nan 0.000 0.425 277 E N 4.668 124.916 120.200 0.079 0.000 2.454 277 E HA 0.434 4.785 4.350 0.001 0.000 0.279 277 E C -0.995 175.607 176.600 0.003 0.000 1.029 277 E CA -0.855 55.575 56.400 0.050 0.000 0.831 277 E CB 1.757 31.491 29.700 0.057 0.000 1.405 277 E HN 0.499 nan 8.360 nan 0.000 0.463 278 E N -0.348 119.844 120.200 -0.015 0.000 2.252 278 E HA -0.184 4.167 4.350 0.001 0.000 0.218 278 E C -0.786 175.774 176.600 -0.067 0.000 1.253 278 E CA 0.383 56.747 56.400 -0.061 0.000 0.705 278 E CB -1.747 27.873 29.700 -0.134 0.000 1.172 278 E HN 0.452 nan 8.360 nan 0.000 0.369 279 c N 1.059 119.625 118.600 -0.057 0.000 2.662 279 c HA 0.239 4.810 4.570 0.001 0.000 0.420 279 c C 1.081 175.144 174.090 -0.045 0.000 1.314 279 c CA -0.242 56.057 56.329 -0.051 0.000 1.963 279 c CB 0.614 43.088 42.510 -0.059 0.000 2.686 279 c HN 0.362 nan 8.230 nan 0.000 0.609 280 S N 1.739 117.433 115.700 -0.009 0.000 2.530 280 S HA 0.474 4.945 4.470 0.001 0.000 0.322 280 S C -0.525 174.100 174.600 0.042 0.000 1.085 280 S CA -0.479 57.739 58.200 0.030 0.000 1.096 280 S CB 0.645 63.895 63.200 0.083 0.000 0.988 280 S HN 0.837 nan 8.310 nan 0.000 0.466 281 c N 3.460 122.087 118.600 0.044 0.000 2.493 281 c HA 0.898 5.469 4.570 0.001 0.000 0.326 281 c C -0.581 173.601 174.090 0.153 0.000 1.200 281 c CA -0.936 55.404 56.329 0.019 0.000 1.739 281 c CB 0.027 42.517 42.510 -0.032 0.000 2.300 281 c HN 0.955 nan 8.230 nan 0.000 0.500 282 Y N -0.552 119.776 120.300 0.046 0.000 2.625 282 Y HA 0.820 5.371 4.550 0.001 0.000 0.338 282 Y C -0.228 175.763 175.900 0.151 0.000 1.123 282 Y CA -1.024 57.170 58.100 0.158 0.000 1.046 282 Y CB 0.939 39.514 38.460 0.193 0.000 1.299 282 Y HN 0.814 nan 8.280 nan 0.000 0.464 283 G N 0.730 109.717 108.800 0.312 0.000 2.448 283 G HA2 0.669 4.630 3.960 0.001 0.000 0.324 283 G HA3 0.669 4.630 3.960 0.001 0.000 0.324 283 G C -1.720 173.406 174.900 0.377 0.000 1.203 283 G CA -0.948 44.243 45.100 0.151 0.000 0.954 283 G HN 0.994 nan 8.290 nan 0.000 0.480 284 E N 0.067 120.451 120.200 0.307 0.000 2.388 284 E HA 0.342 4.693 4.350 0.001 0.000 0.281 284 E C -0.479 176.261 176.600 0.233 0.000 1.046 284 E CA -0.983 55.662 56.400 0.408 0.000 0.825 284 E CB 0.689 30.658 29.700 0.448 0.000 1.243 284 E HN 0.203 nan 8.360 nan 0.000 0.438 285 Q N 0.810 120.727 119.800 0.195 0.000 2.395 285 Q HA -0.288 4.052 4.340 0.001 0.000 0.326 285 Q C 0.425 176.479 176.000 0.090 0.000 1.302 285 Q CA 1.448 57.318 55.803 0.111 0.000 0.949 285 Q CB -2.165 26.626 28.738 0.089 0.000 1.204 285 Q HN 1.701 nan 8.270 nan 0.000 0.444 286 A N -2.903 119.975 122.820 0.096 0.000 2.905 286 A HA -0.057 4.264 4.320 0.001 0.000 0.260 286 A C 0.672 178.284 177.584 0.048 0.000 1.398 286 A CA 1.395 53.470 52.037 0.063 0.000 0.840 286 A CB -1.635 17.393 19.000 0.047 0.000 1.059 286 A HN 1.325 nan 8.150 nan 0.000 0.647 287 G N -1.925 106.906 108.800 0.051 0.000 2.696 287 G HA2 0.682 4.642 3.960 0.001 0.000 0.295 287 G HA3 0.682 4.642 3.960 0.001 0.000 0.295 287 G C -0.992 173.899 174.900 -0.014 0.000 1.398 287 G CA 0.060 45.174 45.100 0.024 0.000 0.920 287 G HN 1.157 nan 8.290 nan 0.000 0.492 288 V N 0.919 120.806 119.914 -0.045 0.000 2.409 288 V HA 0.600 4.721 4.120 0.001 0.000 0.291 288 V C -0.068 175.915 176.094 -0.184 0.000 1.020 288 V CA -0.544 61.685 62.300 -0.119 0.000 0.848 288 V CB 1.620 33.397 31.823 -0.076 0.000 0.990 288 V HN 0.776 nan 8.190 nan 0.000 0.430 289 T N 4.010 118.327 114.554 -0.396 0.000 2.779 289 T HA 0.464 4.815 4.350 0.001 0.000 0.280 289 T C -0.436 174.043 174.700 -0.369 0.000 0.987 289 T CA -0.266 61.588 62.100 -0.409 0.000 0.966 289 T CB 0.935 69.439 68.868 -0.607 0.000 0.933 289 T HN 0.705 nan 8.240 nan 0.000 0.442 290 c N 2.955 121.452 118.600 -0.171 0.000 2.455 290 c HA 0.719 5.290 4.570 0.001 0.000 0.320 290 c C 0.542 174.600 174.090 -0.053 0.000 1.226 290 c CA -0.790 55.481 56.329 -0.096 0.000 1.569 290 c CB 1.160 43.621 42.510 -0.082 0.000 2.200 290 c HN 0.868 nan 8.230 nan 0.000 0.491 291 T N 2.283 116.830 114.554 -0.012 0.000 2.779 291 T HA 0.543 4.894 4.350 0.001 0.000 0.280 291 T C -0.017 174.673 174.700 -0.016 0.000 0.987 291 T CA -0.220 61.873 62.100 -0.011 0.000 0.966 291 T CB 0.610 69.483 68.868 0.009 0.000 0.933 291 T HN 0.818 nan 8.240 nan 0.000 0.442 292 c N 1.864 120.443 118.600 -0.034 0.000 3.188 292 c HA 0.777 5.348 4.570 0.001 0.000 0.379 292 c C 0.144 174.226 174.090 -0.013 0.000 2.263 292 c CA -1.087 55.224 56.329 -0.029 0.000 1.616 292 c CB 1.199 43.688 42.510 -0.034 0.000 2.632 292 c HN 0.887 nan 8.230 nan 0.000 0.488 293 R N 1.196 121.699 120.500 0.004 0.000 2.502 293 R HA 0.292 4.633 4.340 0.001 0.000 0.300 293 R C -1.759 174.593 176.300 0.088 0.000 0.984 293 R CA -0.082 56.039 56.100 0.034 0.000 0.882 293 R CB 1.002 31.300 30.300 -0.003 0.000 1.180 293 R HN 0.865 nan 8.270 nan 0.000 0.444 294 D N 3.607 124.093 120.400 0.143 0.000 2.441 294 D HA 0.044 4.684 4.640 0.001 0.000 0.221 294 D C -0.071 176.364 176.300 0.225 0.000 1.156 294 D CA -0.133 54.000 54.000 0.222 0.000 0.896 294 D CB 0.959 41.950 40.800 0.317 0.000 1.028 294 D HN 0.565 nan 8.370 nan 0.000 0.509 295 N N 3.339 122.166 118.700 0.211 0.000 2.571 295 N HA -0.064 4.677 4.740 0.001 0.000 0.189 295 N C 1.119 176.772 175.510 0.238 0.000 1.154 295 N CA 0.170 53.328 53.050 0.180 0.000 0.907 295 N CB 0.032 38.585 38.487 0.109 0.000 0.977 295 N HN 0.559 nan 8.380 nan 0.000 0.449 296 W N 0.784 122.161 121.300 0.128 0.000 2.418 296 W HA 0.122 4.782 4.660 0.001 0.000 0.319 296 W C -0.124 176.442 176.519 0.078 0.000 1.183 296 W CA 0.971 58.380 57.345 0.107 0.000 1.327 296 W CB -0.358 29.183 29.460 0.135 0.000 1.163 296 W HN 0.004 nan 8.180 nan 0.000 0.479 297 Q N -0.395 119.663 119.800 0.430 0.000 2.341 297 Q HA 0.397 4.738 4.340 0.001 0.000 0.268 297 Q C -0.128 175.985 176.000 0.189 0.000 1.013 297 Q CA -0.340 55.615 55.803 0.254 0.000 0.798 297 Q CB 1.520 30.343 28.738 0.142 0.000 1.253 297 Q HN 0.083 nan 8.270 nan 0.000 0.457 298 G N 1.381 110.278 108.800 0.161 0.000 2.546 298 G HA2 0.348 4.309 3.960 0.001 0.000 0.320 298 G HA3 0.348 4.309 3.960 0.001 0.000 0.320 298 G C 0.318 175.296 174.900 0.129 0.000 0.984 298 G CA -0.067 45.115 45.100 0.137 0.000 1.183 298 G HN 0.676 nan 8.290 nan 0.000 0.443 299 S N 1.889 117.672 115.700 0.138 0.000 4.585 299 S HA 0.215 4.686 4.470 0.001 0.000 0.155 299 S C 0.469 175.127 174.600 0.096 0.000 0.954 299 S CA -0.416 57.862 58.200 0.130 0.000 1.213 299 S CB 0.030 63.366 63.200 0.227 0.000 1.901 299 S HN 0.580 nan 8.310 nan 0.000 0.805 300 N N 2.365 121.138 118.700 0.121 0.000 2.513 300 N HA 0.336 5.077 4.740 0.001 0.000 0.274 300 N C -0.832 174.810 175.510 0.220 0.000 1.189 300 N CA -0.423 52.701 53.050 0.124 0.000 0.975 300 N CB 0.538 39.097 38.487 0.120 0.000 1.157 300 N HN 0.401 nan 8.380 nan 0.000 0.465 301 R N 0.373 120.968 120.500 0.158 0.000 2.457 301 R HA 0.424 4.764 4.340 0.001 0.000 0.284 301 R C -2.089 174.244 176.300 0.055 0.000 1.024 301 R CA -1.606 54.564 56.100 0.118 0.000 1.025 301 R CB 1.094 31.409 30.300 0.024 0.000 1.063 301 R HN 0.543 nan 8.270 nan 0.000 0.493 302 P HA 0.128 nan 4.420 nan 0.000 0.277 302 P C -0.815 176.343 177.300 -0.236 0.000 1.240 302 P CA -0.256 62.532 63.100 -0.520 0.000 0.798 302 P CB 1.035 32.372 31.700 -0.606 0.000 0.979 303 V N 3.576 123.352 119.914 -0.230 0.000 2.577 303 V HA 0.393 4.514 4.120 0.001 0.000 0.303 303 V C 0.207 176.250 176.094 -0.086 0.000 1.042 303 V CA -0.524 61.710 62.300 -0.109 0.000 0.872 303 V CB 1.764 33.553 31.823 -0.057 0.000 0.998 303 V HN 0.378 nan 8.190 nan 0.000 0.423 304 I N 3.839 124.373 120.570 -0.059 0.000 2.404 304 I HA 0.548 4.719 4.170 0.001 0.000 0.293 304 I C -0.472 175.635 176.117 -0.018 0.000 0.992 304 I CA -0.682 60.607 61.300 -0.018 0.000 1.149 304 I CB 1.960 39.941 38.000 -0.032 0.000 1.315 304 I HN 0.561 nan 8.210 nan 0.000 0.446 305 Q N 6.927 126.743 119.800 0.027 0.000 2.341 305 Q HA 0.603 4.944 4.340 0.001 0.000 0.268 305 Q C -1.525 174.516 176.000 0.070 0.000 1.013 305 Q CA -0.165 55.647 55.803 0.015 0.000 0.798 305 Q CB 1.342 30.087 28.738 0.012 0.000 1.253 305 Q HN 0.577 nan 8.270 nan 0.000 0.457 306 I N 2.717 123.318 120.570 0.053 0.000 2.406 306 I HA 0.327 4.498 4.170 0.001 0.000 0.290 306 I C -0.585 175.590 176.117 0.096 0.000 0.999 306 I CA -0.951 60.418 61.300 0.116 0.000 1.124 306 I CB 1.843 39.896 38.000 0.089 0.000 1.289 306 I HN 0.550 nan 8.210 nan 0.000 0.441 307 D N 9.026 129.494 120.400 0.113 0.000 2.396 307 D HA 0.224 4.864 4.640 0.001 0.000 0.225 307 D C -1.727 174.624 176.300 0.085 0.000 1.121 307 D CA -2.226 51.813 54.000 0.065 0.000 0.853 307 D CB 1.735 42.549 40.800 0.024 0.000 1.043 307 D HN 0.236 nan 8.370 nan 0.000 0.500 308 P HA -0.054 nan 4.420 nan 0.000 0.237 308 P C 1.221 178.521 177.300 -0.001 0.000 1.178 308 P CA 0.168 63.329 63.100 0.101 0.000 0.766 308 P CB 0.776 32.526 31.700 0.083 0.000 0.876 309 V N 0.739 120.639 119.914 -0.024 0.000 2.374 309 V HA 0.005 4.126 4.120 0.001 0.000 0.241 309 V C 2.751 178.789 176.094 -0.093 0.000 1.034 309 V CA 1.937 64.207 62.300 -0.049 0.000 1.037 309 V CB -1.496 30.312 31.823 -0.024 0.000 0.682 309 V HN 0.054 nan 8.190 nan 0.000 0.463 310 A N -0.875 121.889 122.820 -0.093 0.000 2.014 310 A HA 0.029 4.350 4.320 0.001 0.000 0.218 310 A C 1.369 178.815 177.584 -0.230 0.000 1.163 310 A CA 0.929 52.891 52.037 -0.126 0.000 0.652 310 A CB -0.502 18.448 19.000 -0.084 0.000 0.808 310 A HN 0.559 nan 8.150 nan 0.000 0.449 311 M N 0.268 119.684 119.600 -0.306 0.000 2.347 311 M HA -0.151 4.329 4.480 0.001 0.000 0.198 311 M C 0.055 176.074 176.300 -0.469 0.000 0.549 311 M CA 0.786 55.620 55.300 -0.777 0.000 0.481 311 M CB -2.586 29.277 32.600 -1.228 0.000 1.393 311 M HN 0.655 nan 8.290 nan 0.000 0.905 312 T N -2.794 111.708 114.554 -0.087 0.000 2.887 312 T HA 0.935 5.286 4.350 0.001 0.000 0.292 312 T C -0.551 174.277 174.700 0.214 0.000 1.087 312 T CA -0.640 61.502 62.100 0.069 0.000 1.009 312 T CB 2.895 71.738 68.868 -0.042 0.000 1.203 312 T HN 0.560 nan 8.240 nan 0.000 0.518 313 H N -1.266 117.840 119.070 0.060 0.000 2.960 313 H HA 0.735 5.292 4.556 0.001 0.000 0.323 313 H C -1.722 173.615 175.328 0.016 0.000 1.326 313 H CA -0.689 55.388 56.048 0.048 0.000 1.124 313 H CB 1.596 31.397 29.762 0.065 0.000 1.853 313 H HN 0.810 nan 8.280 nan 0.000 0.536 314 T N 0.263 114.801 114.554 -0.026 0.000 2.901 314 T HA 0.602 4.953 4.350 0.001 0.000 0.293 314 T C -1.065 173.687 174.700 0.087 0.000 1.084 314 T CA -0.131 61.929 62.100 -0.066 0.000 1.008 314 T CB 1.210 70.052 68.868 -0.045 0.000 1.170 314 T HN 0.946 nan 8.240 nan 0.000 0.509 315 S N 1.667 117.392 115.700 0.042 0.000 2.607 315 S HA 0.853 5.324 4.470 0.001 0.000 0.273 315 S C -1.275 173.315 174.600 -0.016 0.000 1.148 315 S CA -0.688 57.524 58.200 0.020 0.000 0.833 315 S CB 2.261 65.481 63.200 0.034 0.000 1.130 315 S HN 1.034 nan 8.310 nan 0.000 0.470 316 Q N 0.041 119.798 119.800 -0.072 0.000 2.869 316 Q HA 0.492 4.833 4.340 0.001 0.000 0.322 316 Q C -1.984 173.917 176.000 -0.165 0.000 0.832 316 Q CA -0.988 54.799 55.803 -0.026 0.000 0.791 316 Q CB 0.509 29.265 28.738 0.030 0.000 1.412 316 Q HN 0.689 nan 8.270 nan 0.000 0.483 317 Y N -0.027 120.283 120.300 0.017 0.000 2.528 317 Y HA 0.541 5.092 4.550 0.001 0.000 0.335 317 Y C 0.166 176.076 175.900 0.016 0.000 1.093 317 Y CA -0.975 57.137 58.100 0.019 0.000 1.134 317 Y CB 1.571 40.043 38.460 0.021 0.000 1.253 317 Y HN 0.461 nan 8.280 nan 0.000 0.478 318 I N 1.912 122.578 120.570 0.161 0.000 2.517 318 I HA -0.100 4.071 4.170 0.001 0.000 0.285 318 I C 0.434 176.610 176.117 0.097 0.000 1.106 318 I CA 0.151 61.506 61.300 0.091 0.000 1.402 318 I CB 0.402 38.432 38.000 0.049 0.000 1.399 318 I HN 0.822 nan 8.210 nan 0.000 0.535 319 c N 3.371 122.011 118.600 0.066 0.000 2.432 319 c HA -0.083 4.488 4.570 0.001 0.000 0.280 319 c C 1.805 175.902 174.090 0.012 0.000 1.353 319 c CA 0.117 56.473 56.329 0.046 0.000 1.766 319 c CB -0.923 41.606 42.510 0.033 0.000 1.924 319 c HN 0.858 nan 8.230 nan 0.000 0.509 320 S N 1.924 117.621 115.700 -0.004 0.000 2.558 320 S HA 0.014 4.485 4.470 0.001 0.000 0.291 320 S C -0.897 173.662 174.600 -0.069 0.000 1.306 320 S CA -0.582 57.596 58.200 -0.036 0.000 1.056 320 S CB 0.706 63.878 63.200 -0.046 0.000 0.836 320 S HN 0.379 nan 8.310 nan 0.000 0.504 321 P HA 0.033 nan 4.420 nan 0.000 0.242 321 P C -0.074 177.126 177.300 -0.167 0.000 1.197 321 P CA 0.243 63.242 63.100 -0.167 0.000 0.765 321 P CB -0.121 31.488 31.700 -0.151 0.000 0.936 322 V N 2.552 122.393 119.914 -0.121 0.000 2.341 322 V HA 0.030 4.151 4.120 0.001 0.000 0.248 322 V C 0.961 176.989 176.094 -0.111 0.000 1.107 322 V CA 0.027 62.258 62.300 -0.114 0.000 1.069 322 V CB -0.782 30.980 31.823 -0.101 0.000 1.177 322 V HN 0.006 nan 8.190 nan 0.000 0.492 323 L N 4.700 125.849 121.223 -0.122 0.000 2.371 323 L HA 0.382 4.723 4.340 0.001 0.000 0.272 323 L C 1.277 178.100 176.870 -0.078 0.000 1.124 323 L CA 0.029 54.813 54.840 -0.093 0.000 0.816 323 L CB 1.295 43.291 42.059 -0.106 0.000 1.129 323 L HN 0.724 nan 8.230 nan 0.000 0.448 324 T N -4.163 110.358 114.554 -0.056 0.000 3.058 324 T HA 0.135 4.485 4.350 0.001 0.000 0.278 324 T C 0.279 174.955 174.700 -0.039 0.000 0.974 324 T CA -0.473 61.580 62.100 -0.079 0.000 0.893 324 T CB 0.245 69.040 68.868 -0.123 0.000 1.138 324 T HN 0.430 nan 8.240 nan 0.000 0.529 325 D N 1.810 122.213 120.400 0.005 0.000 2.478 325 D HA 0.359 4.999 4.640 0.001 0.000 0.274 325 D C -0.515 175.810 176.300 0.041 0.000 1.234 325 D CA -0.371 53.650 54.000 0.035 0.000 1.069 325 D CB 1.079 41.918 40.800 0.065 0.000 1.113 325 D HN 0.319 nan 8.370 nan 0.000 0.571 326 N N 0.018 118.757 118.700 0.065 0.000 2.521 326 N HA 0.177 4.918 4.740 0.001 0.000 0.269 326 N C -2.991 172.571 175.510 0.086 0.000 1.079 326 N CA -1.081 52.014 53.050 0.075 0.000 0.980 326 N CB 2.251 40.794 38.487 0.094 0.000 1.667 326 N HN 0.022 nan 8.380 nan 0.000 0.498 327 P HA 0.164 nan 4.420 nan 0.000 0.270 327 P C -0.911 176.431 177.300 0.069 0.000 1.223 327 P CA 0.223 63.364 63.100 0.070 0.000 0.785 327 P CB 0.651 32.389 31.700 0.065 0.000 0.923 328 R N 0.209 120.745 120.500 0.060 0.000 2.739 328 R HA 0.694 5.035 4.340 0.001 0.000 0.271 328 R C -3.058 173.281 176.300 0.065 0.000 1.010 328 R CA -2.284 53.856 56.100 0.066 0.000 0.897 328 R CB 0.271 30.598 30.300 0.046 0.000 1.236 328 R HN 0.124 nan 8.270 nan 0.000 0.466 329 P HA 0.091 nan 4.420 nan 0.000 0.273 329 P C -0.804 176.519 177.300 0.038 0.000 1.250 329 P CA -0.554 62.606 63.100 0.100 0.000 0.793 329 P CB 0.407 32.240 31.700 0.223 0.000 1.011 330 N N 0.754 119.470 118.700 0.028 0.000 2.482 330 N HA 0.039 4.780 4.740 0.001 0.000 0.260 330 N C -0.323 175.139 175.510 -0.080 0.000 1.236 330 N CA 0.151 53.190 53.050 -0.018 0.000 0.938 330 N CB -0.098 38.386 38.487 -0.005 0.000 1.128 330 N HN 0.353 nan 8.380 nan 0.000 0.448 331 D N 2.041 122.376 120.400 -0.108 0.000 2.434 331 D HA 0.107 4.748 4.640 0.001 0.000 0.252 331 D C -1.481 174.717 176.300 -0.170 0.000 1.185 331 D CA -0.399 53.498 54.000 -0.172 0.000 0.886 331 D CB 0.389 41.113 40.800 -0.127 0.000 1.148 331 D HN 0.329 nan 8.370 nan 0.000 0.483 332 P HA 0.184 nan 4.420 nan 0.000 0.302 332 P C 0.482 177.708 177.300 -0.124 0.000 1.307 332 P CA -0.411 62.580 63.100 -0.182 0.000 0.754 332 P CB 0.795 32.319 31.700 -0.295 0.000 1.298 333 T N -1.344 113.170 114.554 -0.067 0.000 2.937 333 T HA 0.093 4.444 4.350 0.001 0.000 0.260 333 T C 0.711 175.382 174.700 -0.048 0.000 1.051 333 T CA 0.807 62.878 62.100 -0.048 0.000 1.141 333 T CB -0.117 68.739 68.868 -0.020 0.000 0.879 333 T HN 0.139 nan 8.240 nan 0.000 0.459 334 V N 1.160 121.053 119.914 -0.034 0.000 2.531 334 V HA 0.709 4.830 4.120 0.001 0.000 0.301 334 V C 0.564 176.654 176.094 -0.006 0.000 1.034 334 V CA -1.012 61.282 62.300 -0.012 0.000 0.865 334 V CB 1.514 33.348 31.823 0.019 0.000 0.995 334 V HN 0.415 nan 8.190 nan 0.000 0.424 335 G N 3.606 112.395 108.800 -0.018 0.000 2.543 335 G HA2 0.610 4.571 3.960 0.001 0.000 0.267 335 G HA3 0.610 4.571 3.960 0.001 0.000 0.267 335 G C -0.749 174.194 174.900 0.072 0.000 1.406 335 G CA -0.600 44.502 45.100 0.003 0.000 1.048 335 G HN 0.521 nan 8.290 nan 0.000 0.548 336 K N -1.289 119.156 120.400 0.075 0.000 2.427 336 K HA 0.346 4.666 4.320 0.001 0.000 0.252 336 K C -0.441 176.184 176.600 0.042 0.000 0.931 336 K CA -0.674 55.639 56.287 0.043 0.000 0.793 336 K CB 2.011 34.516 32.500 0.008 0.000 1.211 336 K HN 0.397 nan 8.250 nan 0.000 0.426 337 c N 0.764 119.391 118.600 0.044 0.000 2.674 337 c HA 0.131 4.701 4.570 0.001 0.000 0.276 337 c C 1.078 175.253 174.090 0.142 0.000 1.300 337 c CA -0.030 56.351 56.329 0.087 0.000 1.732 337 c CB -0.283 42.261 42.510 0.057 0.000 2.076 337 c HN 0.733 nan 8.230 nan 0.000 0.548 338 N N 0.433 119.184 118.700 0.086 0.000 2.167 338 N HA 0.176 4.917 4.740 0.001 0.000 0.234 338 N C -1.151 174.371 175.510 0.020 0.000 1.312 338 N CA 0.298 53.422 53.050 0.123 0.000 0.861 338 N CB 0.879 39.401 38.487 0.058 0.000 1.217 338 N HN 0.509 nan 8.380 nan 0.000 0.504 339 D N 0.153 120.397 120.400 -0.260 0.000 2.622 339 D HA 0.281 4.921 4.640 0.001 0.000 0.255 339 D C -2.903 172.806 176.300 -0.986 0.000 1.246 339 D CA -1.065 52.598 54.000 -0.562 0.000 0.795 339 D CB 3.106 43.734 40.800 -0.288 0.000 1.369 339 D HN -0.212 nan 8.370 nan 0.000 0.425 340 P HA 0.079 nan 4.420 nan 0.000 0.271 340 P C -0.582 176.568 177.300 -0.251 0.000 1.216 340 P CA -0.135 62.614 63.100 -0.585 0.000 0.776 340 P CB 0.123 31.650 31.700 -0.289 0.000 0.881 341 Y N 5.685 125.872 120.300 -0.190 0.000 2.620 341 Y HA 0.143 4.694 4.550 0.001 0.000 0.330 341 Y C -1.970 173.886 175.900 -0.073 0.000 1.186 341 Y CA -1.914 56.122 58.100 -0.106 0.000 1.467 341 Y CB -0.269 38.154 38.460 -0.061 0.000 1.262 341 Y HN 0.347 nan 8.280 nan 0.000 0.550 342 P HA 0.124 nan 4.420 nan 0.000 0.261 342 P C -0.362 176.889 177.300 -0.082 0.000 1.203 342 P CA 0.542 63.470 63.100 -0.286 0.000 0.767 342 P CB 0.426 31.919 31.700 -0.345 0.000 0.785 343 G N 2.623 111.448 108.800 0.041 0.000 2.630 343 G HA2 0.366 4.327 3.960 0.001 0.000 0.296 343 G HA3 0.366 4.327 3.960 0.001 0.000 0.296 343 G C -0.775 174.188 174.900 0.106 0.000 1.285 343 G CA -0.950 44.215 45.100 0.110 0.000 0.958 343 G HN 0.287 nan 8.290 nan 0.000 0.479 344 N N 0.255 119.016 118.700 0.101 0.000 2.293 344 N HA 0.025 4.766 4.740 0.001 0.000 0.253 344 N C -0.309 175.260 175.510 0.100 0.000 1.248 344 N CA 0.456 53.558 53.050 0.087 0.000 0.845 344 N CB 0.260 38.792 38.487 0.074 0.000 1.073 344 N HN 0.462 nan 8.380 nan 0.000 0.464 345 N N 1.989 120.738 118.700 0.083 0.000 2.455 345 N HA 0.244 4.984 4.740 0.001 0.000 0.280 345 N C -0.597 174.928 175.510 0.025 0.000 1.055 345 N CA -0.605 52.493 53.050 0.079 0.000 0.961 345 N CB 0.427 38.951 38.487 0.063 0.000 1.121 345 N HN 0.389 nan 8.380 nan 0.000 0.476 346 N N 0.644 119.352 118.700 0.014 0.000 2.714 346 N HA -0.263 4.478 4.740 0.001 0.000 0.252 346 N C -0.314 175.203 175.510 0.012 0.000 1.014 346 N CA 0.629 53.664 53.050 -0.024 0.000 0.735 346 N CB -0.861 37.550 38.487 -0.127 0.000 0.924 346 N HN 0.783 nan 8.380 nan 0.000 0.540 347 N N -0.651 118.079 118.700 0.049 0.000 2.804 347 N HA 0.164 4.905 4.740 0.001 0.000 0.250 347 N C 0.871 176.426 175.510 0.076 0.000 1.024 347 N CA 0.544 53.626 53.050 0.054 0.000 0.995 347 N CB 0.430 38.950 38.487 0.054 0.000 1.690 347 N HN 0.318 nan 8.380 nan 0.000 0.515 348 G N 1.066 109.918 108.800 0.086 0.000 2.995 348 G HA2 -0.204 3.757 3.960 0.001 0.000 0.625 348 G HA3 -0.204 3.757 3.960 0.001 0.000 0.625 348 G C -0.681 174.284 174.900 0.109 0.000 1.472 348 G CA 0.245 45.399 45.100 0.091 0.000 0.998 348 G HN 0.531 nan 8.290 nan 0.000 0.556 349 V N 0.335 120.294 119.914 0.076 0.000 2.851 349 V HA 0.634 4.755 4.120 0.001 0.000 0.307 349 V C 0.353 176.373 176.094 -0.123 0.000 1.129 349 V CA -0.537 61.799 62.300 0.059 0.000 0.932 349 V CB 1.850 33.773 31.823 0.166 0.000 1.024 349 V HN 1.136 nan 8.190 nan 0.000 0.426 350 K N 3.730 123.824 120.400 -0.511 0.000 2.484 350 K HA 0.510 4.831 4.320 0.001 0.000 0.280 350 K C 0.117 176.627 176.600 -0.151 0.000 1.013 350 K CA 0.983 56.979 56.287 -0.485 0.000 1.029 350 K CB 0.527 32.446 32.500 -0.969 0.000 0.902 350 K HN 0.974 nan 8.250 nan 0.000 0.481 351 G N 2.568 111.345 108.800 -0.039 0.000 2.870 351 G HA2 0.683 4.644 3.960 0.001 0.000 0.299 351 G HA3 0.683 4.644 3.960 0.001 0.000 0.299 351 G C -1.565 173.418 174.900 0.138 0.000 1.324 351 G CA -0.824 44.323 45.100 0.077 0.000 0.808 351 G HN 0.644 nan 8.290 nan 0.000 0.535 352 F N -1.088 118.815 119.950 -0.079 0.000 2.779 352 F HA 0.869 5.396 4.527 0.001 0.000 0.316 352 F C -0.510 175.227 175.800 -0.104 0.000 1.164 352 F CA -0.848 57.085 58.000 -0.113 0.000 0.924 352 F CB 1.619 40.518 39.000 -0.168 0.000 1.348 352 F HN 1.088 nan 8.300 nan 0.000 0.467 353 S N -0.238 115.321 115.700 -0.234 0.000 2.588 353 S HA 0.701 5.172 4.470 0.001 0.000 0.269 353 S C -2.354 172.178 174.600 -0.113 0.000 1.157 353 S CA -0.785 57.260 58.200 -0.258 0.000 0.824 353 S CB 1.568 64.690 63.200 -0.130 0.000 1.126 353 S HN 0.776 nan 8.310 nan 0.000 0.464 354 Y N 0.683 121.059 120.300 0.126 0.000 2.328 354 Y HA 0.595 5.146 4.550 0.001 0.000 0.333 354 Y C -0.523 175.476 175.900 0.166 0.000 0.958 354 Y CA -0.717 57.412 58.100 0.048 0.000 1.167 354 Y CB 1.594 40.056 38.460 0.004 0.000 1.151 354 Y HN 0.564 nan 8.280 nan 0.000 0.470 355 L N 4.187 125.624 121.223 0.357 0.000 2.294 355 L HA 0.431 4.771 4.340 0.001 0.000 0.283 355 L C -0.563 176.467 176.870 0.267 0.000 1.015 355 L CA -0.251 54.746 54.840 0.263 0.000 0.831 355 L CB 1.230 43.413 42.059 0.207 0.000 1.217 355 L HN 0.571 nan 8.230 nan 0.000 0.420 356 D N 2.602 123.125 120.400 0.204 0.000 3.453 356 D HA 0.354 4.995 4.640 0.001 0.000 0.312 356 D C 0.648 177.020 176.300 0.119 0.000 1.349 356 D CA 0.701 54.807 54.000 0.177 0.000 0.739 356 D CB 0.574 41.491 40.800 0.196 0.000 1.312 356 D HN 0.654 nan 8.370 nan 0.000 0.628 357 G N 0.477 109.334 108.800 0.094 0.000 2.583 357 G HA2 -0.336 3.625 3.960 0.001 0.000 0.292 357 G HA3 -0.336 3.625 3.960 0.001 0.000 0.292 357 G C 1.308 176.236 174.900 0.047 0.000 1.203 357 G CA 0.309 45.446 45.100 0.062 0.000 0.987 357 G HN 0.765 nan 8.290 nan 0.000 0.554 358 G N 0.234 109.056 108.800 0.037 0.000 2.535 358 G HA2 -0.005 3.956 3.960 0.001 0.000 0.218 358 G HA3 -0.005 3.956 3.960 0.001 0.000 0.218 358 G C 1.119 176.040 174.900 0.034 0.000 1.122 358 G CA 1.524 46.638 45.100 0.023 0.000 0.769 358 G HN 0.969 nan 8.290 nan 0.000 0.549 359 N N 0.151 118.898 118.700 0.078 0.000 2.380 359 N HA 0.131 4.871 4.740 0.001 0.000 0.255 359 N C -0.276 175.369 175.510 0.224 0.000 1.158 359 N CA -0.158 52.976 53.050 0.141 0.000 0.878 359 N CB 0.128 38.685 38.487 0.116 0.000 1.138 359 N HN -0.112 nan 8.380 nan 0.000 0.509 360 T N 0.465 115.100 114.554 0.135 0.000 2.780 360 T HA 0.290 4.641 4.350 0.001 0.000 0.294 360 T C -0.928 173.846 174.700 0.123 0.000 0.949 360 T CA 0.061 62.260 62.100 0.165 0.000 1.074 360 T CB 0.408 69.321 68.868 0.075 0.000 0.910 360 T HN 0.173 nan 8.240 nan 0.000 0.501 361 W N 3.016 124.406 121.300 0.149 0.000 2.839 361 W HA 0.613 5.274 4.660 0.001 0.000 0.334 361 W C -0.982 175.553 176.519 0.026 0.000 1.064 361 W CA -0.832 56.605 57.345 0.154 0.000 1.236 361 W CB 1.141 30.824 29.460 0.373 0.000 1.405 361 W HN 0.356 nan 8.180 nan 0.000 0.478 362 L N 3.038 124.326 121.223 0.108 0.000 2.334 362 L HA 0.883 5.224 4.340 0.001 0.000 0.276 362 L C 0.685 177.372 176.870 -0.306 0.000 1.014 362 L CA -0.987 53.757 54.840 -0.159 0.000 0.815 362 L CB 1.312 43.287 42.059 -0.140 0.000 1.268 362 L HN 0.563 nan 8.230 nan 0.000 0.428 363 G N 1.828 110.246 108.800 -0.638 0.000 2.417 363 G HA2 0.808 4.769 3.960 0.001 0.000 0.334 363 G HA3 0.808 4.769 3.960 0.001 0.000 0.334 363 G C -1.008 173.570 174.900 -0.538 0.000 1.150 363 G CA -0.521 44.212 45.100 -0.612 0.000 0.923 363 G HN 0.776 nan 8.290 nan 0.000 0.485 364 R N -0.825 119.190 120.500 -0.809 0.000 2.692 364 R HA 0.574 4.915 4.340 0.001 0.000 0.269 364 R C -0.329 175.468 176.300 -0.838 0.000 1.030 364 R CA -0.777 54.950 56.100 -0.621 0.000 0.882 364 R CB 0.417 30.526 30.300 -0.319 0.000 1.250 364 R HN 0.659 nan 8.270 nan 0.000 0.465 365 T N -0.443 113.908 114.554 -0.337 0.000 2.932 365 T HA 0.163 4.514 4.350 0.001 0.000 0.312 365 T C 1.488 176.104 174.700 -0.139 0.000 1.071 365 T CA -0.423 61.604 62.100 -0.122 0.000 1.128 365 T CB 0.429 69.335 68.868 0.064 0.000 0.984 365 T HN 0.558 nan 8.240 nan 0.000 0.549 366 I N 0.991 121.516 120.570 -0.075 0.000 2.233 366 I HA -0.053 4.118 4.170 0.001 0.000 0.243 366 I C 2.038 178.136 176.117 -0.032 0.000 1.093 366 I CA 0.626 61.891 61.300 -0.059 0.000 1.380 366 I CB -0.391 37.589 38.000 -0.033 0.000 1.067 366 I HN 0.697 nan 8.210 nan 0.000 0.413 367 S N 0.588 116.286 115.700 -0.003 0.000 2.549 367 S HA 0.043 4.513 4.470 0.001 0.000 0.286 367 S C 1.179 175.789 174.600 0.016 0.000 1.314 367 S CA -0.345 57.863 58.200 0.013 0.000 1.062 367 S CB 1.218 64.441 63.200 0.040 0.000 0.865 367 S HN 0.217 nan 8.310 nan 0.000 0.498 368 V N 2.944 122.867 119.914 0.014 0.000 3.306 368 V HA 0.275 4.396 4.120 0.001 0.000 0.264 368 V C 1.732 177.851 176.094 0.040 0.000 1.149 368 V CA 1.235 63.547 62.300 0.020 0.000 1.143 368 V CB -1.037 30.794 31.823 0.014 0.000 0.767 368 V HN 0.833 nan 8.190 nan 0.000 0.476 369 A N 0.984 123.833 122.820 0.049 0.000 1.993 369 A HA 0.502 4.823 4.320 0.001 0.000 0.207 369 A C 1.407 179.041 177.584 0.083 0.000 1.224 369 A CA 0.841 52.914 52.037 0.060 0.000 0.749 369 A CB -0.015 19.018 19.000 0.055 0.000 0.884 369 A HN 0.836 nan 8.150 nan 0.000 0.467 370 S N -1.510 114.253 115.700 0.105 0.000 2.661 370 S HA 0.603 5.074 4.470 0.001 0.000 0.285 370 S C -0.643 174.068 174.600 0.184 0.000 1.138 370 S CA -0.818 57.475 58.200 0.155 0.000 0.855 370 S CB 1.041 64.372 63.200 0.218 0.000 1.136 370 S HN 0.216 nan 8.310 nan 0.000 0.484 371 R N 1.237 121.879 120.500 0.236 0.000 3.688 371 R HA 0.423 4.764 4.340 0.001 0.000 0.194 371 R C -0.693 175.818 176.300 0.353 0.000 1.677 371 R CA 0.070 56.332 56.100 0.270 0.000 1.351 371 R CB -0.244 30.204 30.300 0.246 0.000 1.338 371 R HN 0.507 nan 8.270 nan 0.000 0.731 372 S N 0.598 116.442 115.700 0.240 0.000 2.614 372 S HA 0.658 5.129 4.470 0.001 0.000 0.288 372 S C -0.154 174.495 174.600 0.081 0.000 1.137 372 S CA -0.380 57.895 58.200 0.125 0.000 0.992 372 S CB 2.077 65.285 63.200 0.014 0.000 1.026 372 S HN 0.807 nan 8.310 nan 0.000 0.486 373 G N 1.563 110.406 108.800 0.072 0.000 2.880 373 G HA2 -0.107 3.854 3.960 0.001 0.000 0.617 373 G HA3 -0.107 3.854 3.960 0.001 0.000 0.617 373 G C -1.369 173.647 174.900 0.194 0.000 1.493 373 G CA -0.494 44.662 45.100 0.093 0.000 0.916 373 G HN 0.857 nan 8.290 nan 0.000 0.553 374 Y N 0.621 120.965 120.300 0.074 0.000 2.436 374 Y HA 0.533 5.084 4.550 0.001 0.000 0.327 374 Y C -0.208 175.736 175.900 0.074 0.000 1.138 374 Y CA -0.169 57.979 58.100 0.079 0.000 1.042 374 Y CB 1.574 40.111 38.460 0.129 0.000 1.302 374 Y HN 1.028 nan 8.280 nan 0.000 0.439 375 E N 4.922 124.926 120.200 -0.328 0.000 2.367 375 E HA 0.610 4.961 4.350 0.001 0.000 0.273 375 E C -1.590 174.894 176.600 -0.193 0.000 0.903 375 E CA -1.294 55.041 56.400 -0.108 0.000 0.764 375 E CB 2.324 31.983 29.700 -0.069 0.000 1.252 375 E HN 0.338 nan 8.360 nan 0.000 0.446 376 M N 2.511 122.117 119.600 0.010 0.000 2.268 376 M HA 0.431 4.912 4.480 0.001 0.000 0.344 376 M C -0.941 175.557 176.300 0.329 0.000 1.106 376 M CA -0.675 54.681 55.300 0.093 0.000 1.010 376 M CB 0.782 33.404 32.600 0.038 0.000 1.649 376 M HN 0.594 nan 8.290 nan 0.000 0.443 377 L N 2.613 123.969 121.223 0.223 0.000 2.356 377 L HA 0.500 4.841 4.340 0.001 0.000 0.277 377 L C 0.165 176.891 176.870 -0.239 0.000 0.996 377 L CA -0.677 54.177 54.840 0.023 0.000 0.822 377 L CB 2.112 44.130 42.059 -0.068 0.000 1.256 377 L HN 0.621 nan 8.230 nan 0.000 0.413 378 K N 2.982 122.869 120.400 -0.856 0.000 2.310 378 K HA 0.411 4.732 4.320 0.001 0.000 0.290 378 K C -1.148 175.142 176.600 -0.515 0.000 1.077 378 K CA -0.270 55.286 56.287 -1.218 0.000 0.922 378 K CB 0.689 32.237 32.500 -1.586 0.000 1.057 378 K HN 0.398 nan 8.250 nan 0.000 0.479 379 V N 7.730 127.440 119.914 -0.339 0.000 2.327 379 V HA 0.228 4.348 4.120 0.001 0.000 0.272 379 V C -2.352 173.666 176.094 -0.126 0.000 1.019 379 V CA -2.042 60.148 62.300 -0.183 0.000 0.814 379 V CB 1.051 32.798 31.823 -0.126 0.000 1.040 379 V HN 0.798 nan 8.190 nan 0.000 0.440 380 P HA 0.124 nan 4.420 nan 0.000 0.264 380 P C 0.482 177.763 177.300 -0.032 0.000 1.193 380 P CA 0.461 63.523 63.100 -0.064 0.000 0.763 380 P CB 0.176 31.843 31.700 -0.055 0.000 0.810 381 N N 1.441 120.138 118.700 -0.006 0.000 2.721 381 N HA -0.252 4.489 4.740 0.001 0.000 0.249 381 N C 1.014 176.526 175.510 0.004 0.000 1.072 381 N CA 0.965 54.020 53.050 0.008 0.000 0.710 381 N CB -1.313 37.178 38.487 0.007 0.000 0.993 381 N HN 0.518 nan 8.380 nan 0.000 0.547 382 A N 0.141 122.960 122.820 -0.001 0.000 1.940 382 A HA -0.156 4.165 4.320 0.001 0.000 0.219 382 A C 2.264 179.857 177.584 0.014 0.000 1.176 382 A CA 1.604 53.637 52.037 -0.005 0.000 0.631 382 A CB -0.206 18.786 19.000 -0.014 0.000 0.814 382 A HN 0.315 nan 8.150 nan 0.000 0.446 383 L N 0.261 121.502 121.223 0.030 0.000 2.042 383 L HA -0.127 4.214 4.340 0.001 0.000 0.210 383 L C 2.432 179.324 176.870 0.037 0.000 1.076 383 L CA 2.958 57.821 54.840 0.040 0.000 0.749 383 L CB -0.611 41.478 42.059 0.050 0.000 0.893 383 L HN 0.571 nan 8.230 nan 0.000 0.432 384 T N -5.229 109.343 114.554 0.029 0.000 3.010 384 T HA 0.146 4.497 4.350 0.001 0.000 0.257 384 T C 0.394 175.105 174.700 0.017 0.000 1.020 384 T CA -0.068 62.047 62.100 0.026 0.000 0.938 384 T CB -0.090 68.793 68.868 0.024 0.000 1.049 384 T HN 0.212 nan 8.240 nan 0.000 0.522 385 D N 2.903 123.309 120.400 0.010 0.000 2.460 385 D HA 0.218 4.859 4.640 0.001 0.000 0.232 385 D C 0.194 176.491 176.300 -0.004 0.000 1.079 385 D CA -0.619 53.382 54.000 0.002 0.000 0.864 385 D CB 1.169 41.966 40.800 -0.005 0.000 1.048 385 D HN 0.226 nan 8.370 nan 0.000 0.523 386 D N 2.562 122.961 120.400 -0.000 0.000 2.352 386 D HA -0.058 4.583 4.640 0.001 0.000 0.232 386 D C 0.817 177.108 176.300 -0.016 0.000 1.055 386 D CA 0.304 54.302 54.000 -0.003 0.000 0.891 386 D CB 0.056 40.861 40.800 0.008 0.000 0.897 386 D HN 0.327 nan 8.370 nan 0.000 0.529 387 R N -0.184 120.304 120.500 -0.020 0.000 2.509 387 R HA 0.139 4.480 4.340 0.001 0.000 0.297 387 R C 0.074 176.353 176.300 -0.036 0.000 0.951 387 R CA -0.048 56.036 56.100 -0.028 0.000 1.103 387 R CB 0.699 30.987 30.300 -0.021 0.000 1.283 387 R HN 0.122 nan 8.270 nan 0.000 0.534 388 S N 1.528 117.206 115.700 -0.036 0.000 2.544 388 S HA 0.125 4.596 4.470 0.001 0.000 0.290 388 S C 0.112 174.676 174.600 -0.060 0.000 1.276 388 S CA -0.106 58.067 58.200 -0.045 0.000 1.075 388 S CB 0.957 64.132 63.200 -0.041 0.000 0.849 388 S HN -0.042 nan 8.310 nan 0.000 0.494 389 K N 2.202 122.564 120.400 -0.063 0.000 2.313 389 K HA 0.600 4.921 4.320 0.001 0.000 0.235 389 K C -2.970 173.577 176.600 -0.087 0.000 1.035 389 K CA -2.429 53.815 56.287 -0.072 0.000 0.868 389 K CB 0.708 33.173 32.500 -0.059 0.000 1.232 389 K HN 0.303 nan 8.250 nan 0.000 0.459 390 P HA 0.115 nan 4.420 nan 0.000 0.271 390 P C 0.329 177.566 177.300 -0.104 0.000 1.216 390 P CA 0.048 63.077 63.100 -0.119 0.000 0.776 390 P CB 0.521 32.162 31.700 -0.098 0.000 0.881 391 T N -1.663 112.807 114.554 -0.140 0.000 2.975 391 T HA 0.217 4.568 4.350 0.001 0.000 0.257 391 T C 0.295 174.946 174.700 -0.082 0.000 1.003 391 T CA 0.022 62.062 62.100 -0.099 0.000 0.932 391 T CB 0.203 69.014 68.868 -0.095 0.000 1.087 391 T HN 0.470 nan 8.240 nan 0.000 0.512 392 Q N -0.970 118.749 119.800 -0.135 0.000 2.647 392 Q HA 0.548 4.888 4.340 0.001 0.000 0.283 392 Q C -1.813 174.151 176.000 -0.060 0.000 0.943 392 Q CA -0.752 55.018 55.803 -0.054 0.000 0.813 392 Q CB 1.668 30.398 28.738 -0.013 0.000 1.477 392 Q HN 0.456 nan 8.270 nan 0.000 0.393 393 G N 0.815 109.717 108.800 0.170 0.000 2.649 393 G HA2 0.549 4.510 3.960 0.001 0.000 0.290 393 G HA3 0.549 4.510 3.960 0.001 0.000 0.290 393 G C -2.103 173.061 174.900 0.441 0.000 1.426 393 G CA -0.371 44.911 45.100 0.303 0.000 0.794 393 G HN 0.416 nan 8.290 nan 0.000 0.483 394 Q N -0.254 119.807 119.800 0.436 0.000 2.281 394 Q HA 0.483 4.823 4.340 0.001 0.000 0.263 394 Q C -1.205 174.969 176.000 0.289 0.000 0.989 394 Q CA -0.499 55.534 55.803 0.385 0.000 0.852 394 Q CB 1.923 30.955 28.738 0.490 0.000 1.337 394 Q HN 0.524 nan 8.270 nan 0.000 0.418 395 T N 5.007 119.711 114.554 0.249 0.000 2.832 395 T HA 0.272 4.622 4.350 0.001 0.000 0.296 395 T C 0.893 175.764 174.700 0.286 0.000 0.968 395 T CA -0.269 61.958 62.100 0.213 0.000 1.107 395 T CB 0.460 69.424 68.868 0.160 0.000 0.916 395 T HN 0.491 nan 8.240 nan 0.000 0.517 396 I N 2.295 123.052 120.570 0.311 0.000 3.194 396 I HA 0.211 4.382 4.170 0.001 0.000 0.271 396 I C 0.430 176.764 176.117 0.362 0.000 1.150 396 I CA 0.604 62.152 61.300 0.415 0.000 1.440 396 I CB -0.093 38.198 38.000 0.484 0.000 1.276 396 I HN 0.287 nan 8.210 nan 0.000 0.457 397 V N 2.995 123.079 119.914 0.282 0.000 2.638 397 V HA 0.401 4.522 4.120 0.001 0.000 0.306 397 V C 0.053 176.213 176.094 0.109 0.000 1.052 397 V CA -0.742 61.674 62.300 0.193 0.000 0.885 397 V CB 2.736 34.694 31.823 0.225 0.000 0.999 397 V HN 0.040 nan 8.190 nan 0.000 0.424 398 L N 2.541 123.786 121.223 0.036 0.000 2.473 398 L HA 0.232 4.573 4.340 0.001 0.000 0.268 398 L C 1.567 178.416 176.870 -0.035 0.000 1.215 398 L CA -0.120 54.718 54.840 -0.003 0.000 0.823 398 L CB 0.186 42.222 42.059 -0.039 0.000 1.099 398 L HN 0.710 nan 8.230 nan 0.000 0.483 399 N N -0.041 118.631 118.700 -0.047 0.000 2.573 399 N HA -0.112 4.629 4.740 0.001 0.000 0.187 399 N C 1.211 176.621 175.510 -0.168 0.000 1.107 399 N CA 1.002 54.004 53.050 -0.081 0.000 0.918 399 N CB 0.084 38.538 38.487 -0.055 0.000 0.966 399 N HN 0.761 nan 8.380 nan 0.000 0.448 400 T N -4.116 110.329 114.554 -0.182 0.000 3.122 400 T HA 0.208 4.559 4.350 0.001 0.000 0.250 400 T C -0.068 174.398 174.700 -0.391 0.000 1.067 400 T CA -0.352 61.589 62.100 -0.265 0.000 0.966 400 T CB 0.280 69.044 68.868 -0.173 0.000 1.002 400 T HN -0.109 nan 8.240 nan 0.000 0.542 401 D N 0.503 120.695 120.400 -0.348 0.000 2.457 401 D HA 0.296 4.937 4.640 0.001 0.000 0.240 401 D C -0.875 175.223 176.300 -0.338 0.000 1.041 401 D CA -0.655 53.124 54.000 -0.368 0.000 0.861 401 D CB 1.406 42.129 40.800 -0.128 0.000 1.394 401 D HN 0.366 nan 8.370 nan 0.000 0.473 402 W N 1.559 122.891 121.300 0.052 0.000 2.253 402 W HA 0.199 4.860 4.660 0.001 0.000 0.322 402 W C 1.367 177.943 176.519 0.094 0.000 1.342 402 W CA -0.335 57.047 57.345 0.062 0.000 1.218 402 W CB 0.625 30.109 29.460 0.040 0.000 1.205 402 W HN 0.258 nan 8.180 nan 0.000 0.551 403 S N 2.210 118.130 115.700 0.367 0.000 3.124 403 S HA 0.988 5.459 4.470 0.001 0.000 0.234 403 S C 0.256 175.021 174.600 0.275 0.000 1.045 403 S CA -0.154 58.224 58.200 0.296 0.000 1.200 403 S CB 1.357 64.756 63.200 0.331 0.000 1.186 403 S HN 0.893 nan 8.310 nan 0.000 0.617 404 G N -0.899 108.065 108.800 0.274 0.000 2.455 404 G HA2 0.331 4.292 3.960 0.001 0.000 0.223 404 G HA3 0.331 4.292 3.960 0.001 0.000 0.223 404 G C -1.773 173.354 174.900 0.378 0.000 1.226 404 G CA -0.810 44.452 45.100 0.269 0.000 0.948 404 G HN 0.528 nan 8.290 nan 0.000 0.478 405 Y N 1.474 121.870 120.300 0.160 0.000 2.457 405 Y HA 0.538 5.089 4.550 0.001 0.000 0.341 405 Y C 1.278 177.248 175.900 0.117 0.000 1.240 405 Y CA -0.363 57.839 58.100 0.171 0.000 1.437 405 Y CB 1.096 39.689 38.460 0.221 0.000 1.328 405 Y HN 0.816 nan 8.280 nan 0.000 0.588 406 S N -0.027 115.743 115.700 0.117 0.000 2.588 406 S HA 0.963 5.434 4.470 0.001 0.000 0.275 406 S C -0.495 173.885 174.600 -0.367 0.000 1.130 406 S CA -0.376 57.664 58.200 -0.266 0.000 0.855 406 S CB 2.302 65.406 63.200 -0.161 0.000 1.116 406 S HN 1.049 nan 8.310 nan 0.000 0.472 407 G N 0.368 108.562 108.800 -1.010 0.000 2.601 407 G HA2 0.601 4.561 3.960 0.001 0.000 0.291 407 G HA3 0.601 4.561 3.960 0.001 0.000 0.291 407 G C -1.026 173.449 174.900 -0.709 0.000 1.456 407 G CA -0.296 44.436 45.100 -0.614 0.000 0.804 407 G HN 1.396 nan 8.290 nan 0.000 0.499 408 S N -0.879 114.661 115.700 -0.267 0.000 2.608 408 S HA 0.912 5.383 4.470 0.001 0.000 0.291 408 S C -0.599 174.172 174.600 0.284 0.000 1.146 408 S CA -0.611 57.507 58.200 -0.137 0.000 1.043 408 S CB 1.364 64.479 63.200 -0.142 0.000 1.037 408 S HN 1.832 nan 8.310 nan 0.000 0.520 409 F N -1.520 118.504 119.950 0.123 0.000 2.719 409 F HA 0.778 5.306 4.527 0.001 0.000 0.309 409 F C -1.457 174.370 175.800 0.046 0.000 1.138 409 F CA -1.346 56.740 58.000 0.143 0.000 0.943 409 F CB 1.181 40.269 39.000 0.146 0.000 1.304 409 F HN 0.571 nan 8.300 nan 0.000 0.445 410 M N 1.595 121.163 119.600 -0.053 0.000 2.593 410 M HA 0.277 4.758 4.480 0.001 0.000 0.290 410 M C -1.753 174.303 176.300 -0.406 0.000 1.244 410 M CA -0.717 54.296 55.300 -0.478 0.000 0.857 410 M CB 2.241 34.359 32.600 -0.802 0.000 1.738 410 M HN 0.732 nan 8.290 nan 0.000 0.461 411 D N 1.000 121.235 120.400 -0.275 0.000 2.402 411 D HA 0.145 4.785 4.640 0.001 0.000 0.235 411 D C 0.090 176.216 176.300 -0.291 0.000 1.226 411 D CA 0.258 54.232 54.000 -0.044 0.000 0.918 411 D CB 0.210 41.077 40.800 0.113 0.000 1.043 411 D HN 0.364 nan 8.370 nan 0.000 0.506 412 Y N 1.485 121.611 120.300 -0.289 0.000 2.639 412 Y HA -0.009 4.542 4.550 0.001 0.000 0.297 412 Y C 1.191 176.693 175.900 -0.663 0.000 1.151 412 Y CA 0.351 57.977 58.100 -0.790 0.000 1.335 412 Y CB 0.120 37.761 38.460 -1.364 0.000 0.994 412 Y HN 0.556 nan 8.280 nan 0.000 0.548 413 W N -0.469 120.949 121.300 0.197 0.000 2.818 413 W HA 0.596 5.256 4.660 0.001 0.000 0.403 413 W C 0.372 176.962 176.519 0.120 0.000 0.991 413 W CA -0.680 56.763 57.345 0.164 0.000 1.925 413 W CB -0.299 29.230 29.460 0.115 0.000 1.166 413 W HN -0.170 nan 8.180 nan 0.000 0.605 414 A N 1.203 124.165 122.820 0.238 0.000 2.332 414 A HA 0.338 4.659 4.320 0.001 0.000 0.258 414 A C 0.718 178.381 177.584 0.131 0.000 1.087 414 A CA -0.091 52.046 52.037 0.166 0.000 0.802 414 A CB 0.700 19.770 19.000 0.116 0.000 1.042 414 A HN -0.003 nan 8.150 nan 0.000 0.489 415 E N -0.207 120.050 120.200 0.096 0.000 2.409 415 E HA 0.456 4.807 4.350 0.001 0.000 0.257 415 E C 0.766 177.388 176.600 0.036 0.000 1.150 415 E CA 1.168 57.608 56.400 0.066 0.000 0.942 415 E CB 0.247 29.977 29.700 0.049 0.000 0.979 415 E HN 1.569 nan 8.360 nan 0.000 0.447 416 G N 1.157 109.967 108.800 0.016 0.000 2.483 416 G HA2 -0.150 3.811 3.960 0.001 0.000 0.521 416 G HA3 -0.150 3.811 3.960 0.001 0.000 0.521 416 G C -0.127 174.749 174.900 -0.040 0.000 1.278 416 G CA -0.295 44.798 45.100 -0.011 0.000 0.965 416 G HN 0.391 nan 8.290 nan 0.000 0.504 417 E N -0.876 119.287 120.200 -0.062 0.000 2.498 417 E HA 0.265 4.616 4.350 0.001 0.000 0.203 417 E C 1.082 177.592 176.600 -0.151 0.000 1.013 417 E CA 1.040 57.385 56.400 -0.091 0.000 0.927 417 E CB 0.165 29.827 29.700 -0.064 0.000 1.012 417 E HN 1.165 nan 8.360 nan 0.000 0.482 418 c N -1.041 117.465 118.600 -0.157 0.000 3.171 418 c HA 0.670 5.240 4.570 0.001 0.000 0.308 418 c C -0.675 173.322 174.090 -0.156 0.000 1.334 418 c CA -1.321 54.884 56.329 -0.205 0.000 1.473 418 c CB 0.331 42.768 42.510 -0.121 0.000 1.866 418 c HN 0.028 nan 8.230 nan 0.000 0.465 419 Y N 0.790 121.047 120.300 -0.071 0.000 2.316 419 Y HA 0.548 5.099 4.550 0.001 0.000 0.331 419 Y C 0.955 176.738 175.900 -0.195 0.000 1.083 419 Y CA -0.310 57.709 58.100 -0.134 0.000 1.206 419 Y CB 0.544 38.944 38.460 -0.100 0.000 1.195 419 Y HN 0.716 nan 8.280 nan 0.000 0.497 420 R N 2.820 123.272 120.500 -0.080 0.000 2.196 420 R HA 0.600 4.940 4.340 0.001 0.000 0.340 420 R C -0.365 175.718 176.300 -0.363 0.000 1.043 420 R CA -0.615 55.352 56.100 -0.223 0.000 0.883 420 R CB 0.299 30.492 30.300 -0.177 0.000 1.078 420 R HN 0.863 nan 8.270 nan 0.000 0.462 421 A N 4.329 126.849 122.820 -0.499 0.000 2.566 421 A HA 0.132 4.452 4.320 0.001 0.000 0.245 421 A C -0.286 176.985 177.584 -0.521 0.000 1.056 421 A CA -0.022 51.544 52.037 -0.785 0.000 0.757 421 A CB -0.172 18.033 19.000 -1.325 0.000 0.979 421 A HN 0.864 nan 8.150 nan 0.000 0.508 422 c N 1.498 119.762 118.600 -0.560 0.000 2.848 422 c HA 0.943 5.514 4.570 0.001 0.000 0.317 422 c C -0.452 173.320 174.090 -0.530 0.000 1.260 422 c CA -0.548 55.340 56.329 -0.735 0.000 1.656 422 c CB 1.054 42.561 42.510 -1.671 0.000 2.174 422 c HN 0.993 nan 8.230 nan 0.000 0.479 423 F N -0.259 119.311 119.950 -0.633 0.000 2.686 423 F HA 0.795 5.323 4.527 0.001 0.000 0.311 423 F C -1.247 174.478 175.800 -0.125 0.000 1.128 423 F CA -1.282 56.361 58.000 -0.596 0.000 0.946 423 F CB 0.838 39.101 39.000 -1.229 0.000 1.336 423 F HN 0.718 nan 8.300 nan 0.000 0.457 424 Y N -0.080 120.222 120.300 0.003 0.000 2.562 424 Y HA 0.893 5.444 4.550 0.001 0.000 0.343 424 Y C -1.903 173.998 175.900 0.001 0.000 1.025 424 Y CA -2.010 56.056 58.100 -0.057 0.000 1.082 424 Y CB 1.625 40.055 38.460 -0.050 0.000 1.264 424 Y HN 0.597 nan 8.280 nan 0.000 0.478 425 V N 2.157 122.099 119.914 0.048 0.000 2.588 425 V HA 0.287 4.408 4.120 0.001 0.000 0.304 425 V C -0.527 175.665 176.094 0.164 0.000 1.042 425 V CA -1.064 61.229 62.300 -0.012 0.000 0.877 425 V CB 1.558 33.275 31.823 -0.176 0.000 0.996 425 V HN 0.901 nan 8.190 nan 0.000 0.425 426 E N 4.352 124.694 120.200 0.235 0.000 2.290 426 E HA 0.356 4.706 4.350 0.001 0.000 0.277 426 E C -1.151 175.540 176.600 0.152 0.000 1.035 426 E CA -0.409 56.105 56.400 0.190 0.000 0.873 426 E CB 0.747 30.582 29.700 0.224 0.000 1.029 426 E HN 0.614 nan 8.360 nan 0.000 0.419 427 L N 7.169 128.470 121.223 0.130 0.000 2.321 427 L HA 0.385 4.725 4.340 0.001 0.000 0.272 427 L C -0.158 176.800 176.870 0.147 0.000 1.050 427 L CA -0.536 54.401 54.840 0.163 0.000 0.893 427 L CB 0.415 42.570 42.059 0.159 0.000 1.272 427 L HN 0.514 nan 8.230 nan 0.000 0.435 428 I N 3.690 124.346 120.570 0.143 0.000 2.496 428 I HA 0.248 4.419 4.170 0.001 0.000 0.285 428 I C 0.245 176.378 176.117 0.026 0.000 1.080 428 I CA -0.165 61.170 61.300 0.059 0.000 1.404 428 I CB 0.427 38.424 38.000 -0.006 0.000 1.403 428 I HN 0.500 nan 8.210 nan 0.000 0.539 429 R N 4.096 124.612 120.500 0.026 0.000 2.803 429 R HA 0.752 5.092 4.340 0.001 0.000 0.276 429 R C 0.238 176.464 176.300 -0.123 0.000 0.978 429 R CA -0.378 55.714 56.100 -0.013 0.000 0.939 429 R CB 1.433 31.838 30.300 0.176 0.000 1.179 429 R HN 0.879 nan 8.270 nan 0.000 0.472 430 G N 1.635 110.175 108.800 -0.432 0.000 2.512 430 G HA2 -0.287 3.674 3.960 0.001 0.000 0.240 430 G HA3 -0.287 3.674 3.960 0.001 0.000 0.240 430 G C -0.615 173.972 174.900 -0.521 0.000 1.246 430 G CA -0.415 44.251 45.100 -0.723 0.000 0.919 430 G HN 0.522 nan 8.290 nan 0.000 0.577 431 R N 1.604 121.841 120.500 -0.439 0.000 2.679 431 R HA 0.359 4.699 4.340 0.001 0.000 0.269 431 R C -1.089 175.032 176.300 -0.298 0.000 1.076 431 R CA -0.693 55.193 56.100 -0.355 0.000 1.160 431 R CB 0.726 30.855 30.300 -0.286 0.000 1.054 431 R HN 0.431 nan 8.270 nan 0.000 0.507 432 P HA -0.027 nan 4.420 nan 0.000 0.240 432 P C 0.134 177.236 177.300 -0.331 0.000 1.190 432 P CA 0.840 63.777 63.100 -0.272 0.000 0.781 432 P CB 0.407 31.989 31.700 -0.198 0.000 0.931 433 K N 0.551 120.672 120.400 -0.466 0.000 2.217 433 K HA -0.001 4.319 4.320 0.001 0.000 0.202 433 K C 0.512 176.820 176.600 -0.486 0.000 1.051 433 K CA 0.869 56.812 56.287 -0.574 0.000 0.952 433 K CB 0.117 31.916 32.500 -1.168 0.000 0.736 433 K HN 0.409 nan 8.250 nan 0.000 0.453 434 E N 1.687 121.585 120.200 -0.504 0.000 2.683 434 E HA 0.020 4.370 4.350 0.001 0.000 0.224 434 E C -0.692 175.643 176.600 -0.441 0.000 1.046 434 E CA -0.198 55.967 56.400 -0.392 0.000 0.811 434 E CB 0.751 30.219 29.700 -0.387 0.000 1.296 434 E HN 0.130 nan 8.360 nan 0.000 0.421 435 D N 1.248 121.419 120.400 -0.382 0.000 2.325 435 D HA -0.040 4.601 4.640 0.001 0.000 0.225 435 D C 0.880 176.870 176.300 -0.516 0.000 1.096 435 D CA 0.002 53.734 54.000 -0.445 0.000 0.844 435 D CB 0.252 40.832 40.800 -0.367 0.000 0.925 435 D HN 0.099 nan 8.370 nan 0.000 0.513 436 K N 0.046 120.191 120.400 -0.425 0.000 2.366 436 K HA 0.044 4.365 4.320 0.001 0.000 0.198 436 K C 0.809 177.131 176.600 -0.463 0.000 1.044 436 K CA 0.487 56.541 56.287 -0.389 0.000 0.973 436 K CB 0.370 32.734 32.500 -0.227 0.000 0.767 436 K HN 0.260 nan 8.250 nan 0.000 0.475 437 V N -3.080 116.483 119.914 -0.585 0.000 2.837 437 V HA 0.245 4.366 4.120 0.001 0.000 0.310 437 V C 0.044 175.694 176.094 -0.740 0.000 1.059 437 V CA -0.900 60.990 62.300 -0.684 0.000 1.004 437 V CB 1.033 32.137 31.823 -1.199 0.000 1.045 437 V HN 0.200 nan 8.190 nan 0.000 0.465 438 W N 0.831 121.920 121.300 -0.351 0.000 3.278 438 W HA 0.350 5.011 4.660 0.001 0.000 0.308 438 W C 0.762 177.208 176.519 -0.121 0.000 1.253 438 W CA -0.596 56.643 57.345 -0.177 0.000 1.759 438 W CB 0.272 29.710 29.460 -0.036 0.000 1.093 438 W HN 0.787 nan 8.180 nan 0.000 0.648 439 W N -0.078 121.260 121.300 0.063 0.000 2.485 439 W HA 0.760 5.421 4.660 0.001 0.000 0.364 439 W C -0.717 175.742 176.519 -0.100 0.000 1.171 439 W CA -0.928 56.410 57.345 -0.012 0.000 1.304 439 W CB 0.112 29.551 29.460 -0.035 0.000 1.335 439 W HN -0.514 nan 8.180 nan 0.000 0.643 440 T N 1.530 116.262 114.554 0.297 0.000 2.879 440 T HA 0.411 4.762 4.350 0.001 0.000 0.290 440 T C -0.806 174.045 174.700 0.252 0.000 0.993 440 T CA -0.187 62.023 62.100 0.184 0.000 0.975 440 T CB 2.098 70.963 68.868 -0.005 0.000 0.981 440 T HN 0.502 nan 8.240 nan 0.000 0.439 441 S N 2.042 117.900 115.700 0.264 0.000 2.998 441 S HA 0.796 5.267 4.470 0.001 0.000 0.321 441 S C -1.729 172.902 174.600 0.052 0.000 1.171 441 S CA -0.756 57.485 58.200 0.068 0.000 0.882 441 S CB 1.247 64.379 63.200 -0.114 0.000 1.301 441 S HN 0.926 nan 8.310 nan 0.000 0.629 442 N N -0.274 118.431 118.700 0.009 0.000 2.823 442 N HA 0.409 5.150 4.740 0.001 0.000 0.251 442 N C -1.331 174.198 175.510 0.032 0.000 1.392 442 N CA -0.390 52.682 53.050 0.036 0.000 0.864 442 N CB 1.283 39.786 38.487 0.028 0.000 1.481 442 N HN 0.665 nan 8.380 nan 0.000 0.508 443 S N -0.292 115.448 115.700 0.065 0.000 2.806 443 S HA 0.798 5.268 4.470 0.001 0.000 0.315 443 S C -0.450 174.178 174.600 0.047 0.000 1.127 443 S CA -0.771 57.471 58.200 0.071 0.000 0.918 443 S CB 1.115 64.375 63.200 0.099 0.000 1.240 443 S HN 0.544 nan 8.310 nan 0.000 0.552 444 I N 0.871 121.450 120.570 0.015 0.000 2.498 444 I HA 0.598 4.769 4.170 0.001 0.000 0.290 444 I C -1.042 175.056 176.117 -0.032 0.000 1.032 444 I CA -1.041 60.197 61.300 -0.103 0.000 1.073 444 I CB 2.014 39.709 38.000 -0.509 0.000 1.251 444 I HN 0.498 nan 8.210 nan 0.000 0.426 445 V N 4.987 124.889 119.914 -0.020 0.000 2.628 445 V HA 0.719 4.840 4.120 0.001 0.000 0.306 445 V C -0.718 175.318 176.094 -0.097 0.000 1.045 445 V CA -0.036 62.235 62.300 -0.049 0.000 0.905 445 V CB 2.203 34.010 31.823 -0.027 0.000 0.997 445 V HN 0.785 nan 8.190 nan 0.000 0.436 446 S N 6.926 122.552 115.700 -0.123 0.000 2.548 446 S HA 0.831 5.302 4.470 0.001 0.000 0.276 446 S C -1.069 173.381 174.600 -0.250 0.000 1.129 446 S CA -0.761 57.383 58.200 -0.093 0.000 0.931 446 S CB 1.370 64.761 63.200 0.319 0.000 1.068 446 S HN 0.710 nan 8.310 nan 0.000 0.480 447 M N 2.625 121.860 119.600 -0.610 0.000 2.593 447 M HA 0.569 5.049 4.480 0.001 0.000 0.290 447 M C -1.089 174.886 176.300 -0.542 0.000 1.244 447 M CA -0.530 54.434 55.300 -0.560 0.000 0.857 447 M CB 1.241 33.474 32.600 -0.612 0.000 1.738 447 M HN 0.620 nan 8.290 nan 0.000 0.461 448 c N 0.432 118.713 118.600 -0.532 0.000 2.848 448 c HA 0.730 5.301 4.570 0.001 0.000 0.317 448 c C 0.561 174.418 174.090 -0.389 0.000 1.260 448 c CA -0.689 55.352 56.329 -0.481 0.000 1.656 448 c CB 2.154 44.314 42.510 -0.582 0.000 2.174 448 c HN 0.993 nan 8.230 nan 0.000 0.479 449 S N 0.998 116.409 115.700 -0.481 0.000 2.580 449 S HA 0.517 4.988 4.470 0.001 0.000 0.274 449 S C -0.326 174.052 174.600 -0.370 0.000 1.329 449 S CA -0.224 57.468 58.200 -0.846 0.000 1.036 449 S CB 1.130 63.634 63.200 -1.160 0.000 0.919 449 S HN 0.879 nan 8.310 nan 0.000 0.515 450 S N 0.485 115.959 115.700 -0.377 0.000 2.532 450 S HA 0.506 4.977 4.470 0.001 0.000 0.301 450 S C 1.099 175.495 174.600 -0.341 0.000 1.083 450 S CA -0.186 57.887 58.200 -0.213 0.000 1.025 450 S CB 1.216 64.368 63.200 -0.080 0.000 1.056 450 S HN 0.967 nan 8.310 nan 0.000 0.494 451 T N 0.457 114.863 114.554 -0.245 0.000 3.088 451 T HA 0.175 4.525 4.350 0.001 0.000 0.259 451 T C 0.392 174.946 174.700 -0.242 0.000 1.122 451 T CA 0.220 62.175 62.100 -0.243 0.000 1.095 451 T CB -0.186 68.597 68.868 -0.142 0.000 0.930 451 T HN 0.533 nan 8.240 nan 0.000 0.508 452 E N 1.067 121.156 120.200 -0.184 0.000 2.342 452 E HA 0.329 4.680 4.350 0.001 0.000 0.257 452 E C -0.959 175.499 176.600 -0.237 0.000 1.150 452 E CA -0.778 55.564 56.400 -0.096 0.000 0.926 452 E CB 0.410 30.106 29.700 -0.006 0.000 1.074 452 E HN 0.374 nan 8.360 nan 0.000 0.449 453 F N 1.223 121.186 119.950 0.023 0.000 2.329 453 F HA 0.248 4.775 4.527 0.001 0.000 0.362 453 F C 0.246 176.084 175.800 0.063 0.000 1.113 453 F CA -0.305 57.726 58.000 0.051 0.000 1.212 453 F CB 0.012 39.049 39.000 0.061 0.000 1.509 453 F HN -0.015 nan 8.300 nan 0.000 0.546 454 L N 1.857 123.169 121.223 0.148 0.000 2.375 454 L HA 0.547 4.888 4.340 0.001 0.000 0.271 454 L C 1.162 178.140 176.870 0.181 0.000 1.107 454 L CA -0.863 54.066 54.840 0.148 0.000 0.806 454 L CB 0.755 42.895 42.059 0.135 0.000 1.146 454 L HN 0.576 nan 8.230 nan 0.000 0.447 455 G N 1.293 110.183 108.800 0.150 0.000 2.630 455 G HA2 0.224 4.185 3.960 0.001 0.000 0.236 455 G HA3 0.224 4.185 3.960 0.001 0.000 0.236 455 G C -0.516 174.504 174.900 0.200 0.000 1.248 455 G CA -0.377 44.809 45.100 0.144 0.000 0.844 455 G HN 0.722 nan 8.290 nan 0.000 0.588 456 Q N -0.235 119.692 119.800 0.210 0.000 2.312 456 Q HA 0.525 4.866 4.340 0.001 0.000 0.263 456 Q C -1.231 174.950 176.000 0.303 0.000 0.995 456 Q CA -1.081 54.898 55.803 0.292 0.000 0.853 456 Q CB 2.165 31.078 28.738 0.292 0.000 1.300 456 Q HN 0.537 nan 8.270 nan 0.000 0.448 457 W N 2.288 123.660 121.300 0.120 0.000 3.075 457 W HA 0.449 5.110 4.660 0.001 0.000 0.334 457 W C -0.907 175.532 176.519 -0.133 0.000 1.288 457 W CA -1.204 56.075 57.345 -0.111 0.000 1.095 457 W CB 1.572 30.801 29.460 -0.385 0.000 1.564 457 W HN 0.970 nan 8.180 nan 0.000 0.629 458 N N -0.599 117.897 118.700 -0.340 0.000 2.265 458 N HA 0.550 5.291 4.740 0.001 0.000 0.300 458 N C -1.951 173.092 175.510 -0.778 0.000 1.148 458 N CA -0.658 52.202 53.050 -0.316 0.000 0.772 458 N CB 1.588 39.992 38.487 -0.138 0.000 1.434 458 N HN 0.277 nan 8.380 nan 0.000 0.481 459 W N 0.565 121.789 121.300 -0.128 0.000 2.237 459 W HA 0.403 5.064 4.660 0.002 0.000 0.289 459 W C -2.553 173.926 176.519 -0.067 0.000 0.988 459 W CA -1.316 55.950 57.345 -0.131 0.000 1.671 459 W CB 1.188 30.633 29.460 -0.025 0.000 1.746 459 W HN 0.417 nan 8.180 nan 0.000 0.380 460 P HA 0.068 nan 4.420 nan 0.000 0.276 460 P C 0.762 178.125 177.300 0.104 0.000 1.252 460 P CA -0.068 63.063 63.100 0.052 0.000 0.802 460 P CB 1.521 33.203 31.700 -0.029 0.000 1.035 461 D N 1.333 121.809 120.400 0.128 0.000 2.116 461 D HA -0.162 4.478 4.640 0.001 0.000 0.193 461 D C 1.404 177.781 176.300 0.128 0.000 0.998 461 D CA 2.827 56.913 54.000 0.144 0.000 0.836 461 D CB -0.620 40.283 40.800 0.171 0.000 0.951 461 D HN 0.652 nan 8.370 nan 0.000 0.449 462 G N -1.146 107.719 108.800 0.108 0.000 2.176 462 G HA2 -0.138 3.823 3.960 0.001 0.000 0.232 462 G HA3 -0.138 3.823 3.960 0.001 0.000 0.232 462 G C 0.387 175.363 174.900 0.127 0.000 0.986 462 G CA 0.496 45.651 45.100 0.091 0.000 0.643 462 G HN 0.783 nan 8.290 nan 0.000 0.522 463 A N 0.116 123.041 122.820 0.176 0.000 2.322 463 A HA 0.693 5.013 4.320 0.001 0.000 0.269 463 A C 0.380 178.078 177.584 0.190 0.000 1.094 463 A CA 0.074 52.260 52.037 0.249 0.000 0.807 463 A CB 0.481 19.697 19.000 0.360 0.000 1.047 463 A HN 0.346 nan 8.150 nan 0.000 0.487 464 K N 2.406 122.896 120.400 0.150 0.000 2.316 464 K HA 0.292 4.613 4.320 0.001 0.000 0.267 464 K C 0.404 177.091 176.600 0.146 0.000 1.025 464 K CA -0.714 55.551 56.287 -0.037 0.000 0.896 464 K CB 1.199 33.372 32.500 -0.546 0.000 1.124 464 K HN 0.575 nan 8.250 nan 0.000 0.451 465 I N 2.224 122.895 120.570 0.168 0.000 2.248 465 I HA -0.294 3.876 4.170 0.001 0.000 0.248 465 I C 2.361 178.617 176.117 0.231 0.000 1.107 465 I CA 1.601 63.040 61.300 0.232 0.000 1.373 465 I CB -0.458 37.562 38.000 0.034 0.000 1.055 465 I HN 0.825 nan 8.210 nan 0.000 0.418 466 E N 0.772 121.011 120.200 0.066 0.000 2.130 466 E HA -0.269 4.082 4.350 0.001 0.000 0.196 466 E C 2.151 178.870 176.600 0.198 0.000 0.998 466 E CA 1.506 57.945 56.400 0.066 0.000 0.806 466 E CB -0.134 29.544 29.700 -0.038 0.000 0.738 466 E HN 0.445 nan 8.360 nan 0.000 0.459 467 Y N -0.710 119.659 120.300 0.115 0.000 2.352 467 Y HA -0.113 4.437 4.550 0.001 0.000 0.292 467 Y C 1.893 177.751 175.900 -0.069 0.000 1.136 467 Y CA 0.583 58.673 58.100 -0.016 0.000 1.227 467 Y CB -0.650 37.743 38.460 -0.112 0.000 0.991 467 Y HN 0.071 nan 8.280 nan 0.000 0.545 468 F N -0.851 119.265 119.950 0.277 0.000 2.789 468 F HA 0.093 4.621 4.527 0.001 0.000 0.300 468 F C 0.986 176.904 175.800 0.196 0.000 1.132 468 F CA 0.018 58.179 58.000 0.267 0.000 1.404 468 F CB -0.173 39.073 39.000 0.411 0.000 1.114 468 F HN -0.186 nan 8.300 nan 0.000 0.584 469 L N 0.000 121.392 121.223 0.282 0.000 2.949 469 L HA 0.000 4.341 4.340 0.001 0.000 0.249 469 L CA 0.000 54.946 54.840 0.176 0.000 0.813 469 L CB 0.000 42.125 42.059 0.110 0.000 0.961 469 L HN 0.000 nan 8.230 nan 0.000 0.502