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 2hty_1_F DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.057 176.094 -0.062 0.000 1.182 83 V CA 0.000 62.268 62.300 -0.054 0.000 1.235 83 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 84 K N 2.823 123.207 120.400 -0.027 0.000 2.591 84 K HA 0.096 4.416 4.320 -0.001 0.000 0.280 84 K C -0.252 176.350 176.600 0.004 0.000 0.964 84 K CA -0.054 56.229 56.287 -0.007 0.000 1.014 84 K CB 0.408 32.914 32.500 0.010 0.000 0.877 84 K HN 0.402 nan 8.250 nan 0.000 0.502 85 L N 2.631 123.870 121.223 0.026 0.000 2.283 85 L HA 0.189 4.529 4.340 -0.001 0.000 0.287 85 L C -0.377 176.527 176.870 0.057 0.000 1.073 85 L CA 0.431 55.298 54.840 0.045 0.000 0.822 85 L CB 0.413 42.514 42.059 0.070 0.000 1.186 85 L HN 0.705 nan 8.230 nan 0.000 0.436 86 A N 3.573 126.422 122.820 0.048 0.000 2.366 86 A HA 0.591 4.911 4.320 -0.001 0.000 0.272 86 A C 0.802 178.420 177.584 0.058 0.000 1.135 86 A CA 0.116 52.184 52.037 0.051 0.000 0.804 86 A CB 0.335 19.358 19.000 0.037 0.000 1.064 86 A HN 0.867 nan 8.150 nan 0.000 0.499 87 G N 1.204 110.044 108.800 0.066 0.000 4.486 87 G HA2 0.190 4.150 3.960 -0.001 0.000 0.306 87 G HA3 0.190 4.150 3.960 -0.001 0.000 0.306 87 G C 0.460 175.386 174.900 0.043 0.000 1.331 87 G CA 0.174 45.312 45.100 0.065 0.000 1.113 87 G HN 0.939 nan 8.290 nan 0.000 0.594 88 N N -0.503 118.217 118.700 0.034 0.000 2.395 88 N HA -0.032 4.708 4.740 -0.001 0.000 0.175 88 N C 1.420 176.938 175.510 0.013 0.000 1.029 88 N CA 0.279 53.341 53.050 0.021 0.000 0.897 88 N CB 0.072 38.571 38.487 0.020 0.000 0.991 88 N HN 0.247 nan 8.380 nan 0.000 0.441 89 S N 0.049 115.759 115.700 0.015 0.000 2.608 89 S HA 0.316 4.786 4.470 -0.001 0.000 0.261 89 S C 0.095 174.697 174.600 0.003 0.000 1.314 89 S CA -0.825 57.380 58.200 0.007 0.000 0.992 89 S CB 1.422 64.627 63.200 0.008 0.000 0.935 89 S HN 0.134 nan 8.310 nan 0.000 0.564 90 S N 0.216 115.912 115.700 -0.007 0.000 2.722 90 S HA 0.486 4.955 4.470 -0.001 0.000 0.292 90 S C 0.071 174.651 174.600 -0.033 0.000 1.135 90 S CA -0.888 57.299 58.200 -0.022 0.000 1.003 90 S CB 0.389 63.570 63.200 -0.032 0.000 1.067 90 S HN 0.621 nan 8.310 nan 0.000 0.546 91 L N 1.331 122.507 121.223 -0.078 0.000 2.514 91 L HA 0.065 4.404 4.340 -0.001 0.000 0.280 91 L C 0.007 176.863 176.870 -0.022 0.000 1.223 91 L CA -0.399 54.374 54.840 -0.112 0.000 0.864 91 L CB -0.229 41.633 42.059 -0.328 0.000 1.118 91 L HN 0.651 nan 8.230 nan 0.000 0.494 92 c N 4.218 122.804 118.600 -0.023 0.000 2.653 92 c HA 0.191 4.760 4.570 -0.001 0.000 0.421 92 c C -1.510 172.606 174.090 0.044 0.000 1.334 92 c CA -1.084 55.234 56.329 -0.019 0.000 1.885 92 c CB -0.467 41.986 42.510 -0.095 0.000 2.645 92 c HN 0.523 nan 8.230 nan 0.000 0.601 93 P HA 0.351 nan 4.420 nan 0.000 0.276 93 P C -0.601 176.559 177.300 -0.234 0.000 1.230 93 P CA 0.436 63.490 63.100 -0.077 0.000 0.776 93 P CB 0.588 32.247 31.700 -0.068 0.000 0.888 94 I N -0.374 119.950 120.570 -0.410 0.000 3.145 94 I HA 0.496 4.666 4.170 -0.001 0.000 0.313 94 I C 0.069 175.928 176.117 -0.430 0.000 1.122 94 I CA -1.061 59.954 61.300 -0.474 0.000 0.987 94 I CB 2.285 39.836 38.000 -0.749 0.000 1.236 94 I HN 0.034 nan 8.210 nan 0.000 0.453 95 N N 0.787 119.257 118.700 -0.382 0.000 2.360 95 N HA 0.354 5.094 4.740 -0.001 0.000 0.211 95 N C 0.237 175.651 175.510 -0.159 0.000 1.147 95 N CA 0.475 53.394 53.050 -0.219 0.000 0.866 95 N CB 1.893 40.288 38.487 -0.153 0.000 1.206 95 N HN 0.927 nan 8.380 nan 0.000 0.478 96 G N -0.388 108.149 108.800 -0.440 0.000 2.554 96 G HA2 0.474 4.434 3.960 -0.001 0.000 0.306 96 G HA3 0.474 4.434 3.960 -0.001 0.000 0.306 96 G C -2.205 172.229 174.900 -0.776 0.000 1.320 96 G CA -0.768 44.067 45.100 -0.441 0.000 0.800 96 G HN 0.039 nan 8.290 nan 0.000 0.481 97 W N 0.170 121.429 121.300 -0.068 0.000 2.656 97 W HA 0.732 5.392 4.660 -0.001 0.000 0.327 97 W C 0.188 176.806 176.519 0.165 0.000 1.041 97 W CA -0.662 56.690 57.345 0.013 0.000 1.229 97 W CB 2.237 31.754 29.460 0.094 0.000 1.397 97 W HN 0.750 nan 8.180 nan 0.000 0.479 98 A N 2.467 125.463 122.820 0.294 0.000 2.312 98 A HA 0.738 5.058 4.320 -0.001 0.000 0.326 98 A C -0.191 177.474 177.584 0.136 0.000 1.172 98 A CA -0.866 51.302 52.037 0.217 0.000 0.821 98 A CB 0.451 19.500 19.000 0.082 0.000 1.166 98 A HN 0.782 nan 8.150 nan 0.000 0.493 99 V N 0.652 120.496 119.914 -0.117 0.000 2.599 99 V HA 0.050 4.170 4.120 -0.001 0.000 0.300 99 V C 0.608 176.487 176.094 -0.358 0.000 1.034 99 V CA 0.471 62.324 62.300 -0.746 0.000 1.115 99 V CB -0.445 30.845 31.823 -0.887 0.000 0.934 99 V HN 0.917 nan 8.190 nan 0.000 0.485 100 Y N 3.167 123.113 120.300 -0.589 0.000 2.558 100 Y HA 0.374 4.924 4.550 -0.001 0.000 0.273 100 Y C 1.181 176.929 175.900 -0.254 0.000 1.100 100 Y CA 0.426 58.356 58.100 -0.284 0.000 1.276 100 Y CB 0.635 39.013 38.460 -0.137 0.000 1.196 100 Y HN 1.040 nan 8.280 nan 0.000 0.527 101 S N -0.304 115.171 115.700 -0.375 0.000 2.615 101 S HA 0.485 4.954 4.470 -0.001 0.000 0.268 101 S C -1.545 172.888 174.600 -0.279 0.000 1.146 101 S CA -1.073 56.923 58.200 -0.341 0.000 0.818 101 S CB 2.323 65.322 63.200 -0.336 0.000 1.111 101 S HN 0.142 nan 8.310 nan 0.000 0.465 102 K N 0.659 120.951 120.400 -0.181 0.000 2.616 102 K HA 0.302 4.622 4.320 -0.001 0.000 0.255 102 K C -0.766 175.793 176.600 -0.068 0.000 0.995 102 K CA -0.331 55.900 56.287 -0.093 0.000 0.860 102 K CB 1.162 33.637 32.500 -0.041 0.000 1.264 102 K HN 0.728 nan 8.250 nan 0.000 0.451 103 D N 3.061 123.425 120.400 -0.059 0.000 2.289 103 D HA -0.080 4.559 4.640 -0.001 0.000 0.207 103 D C -0.001 176.276 176.300 -0.038 0.000 0.966 103 D CA 0.574 54.532 54.000 -0.070 0.000 0.868 103 D CB -0.297 40.439 40.800 -0.107 0.000 0.943 103 D HN 0.826 nan 8.370 nan 0.000 0.514 104 N N -0.596 118.105 118.700 0.001 0.000 2.713 104 N HA -0.298 4.442 4.740 -0.001 0.000 0.251 104 N C 1.008 176.527 175.510 0.015 0.000 1.117 104 N CA 0.652 53.718 53.050 0.028 0.000 0.770 104 N CB -1.171 37.332 38.487 0.026 0.000 1.137 104 N HN 0.370 nan 8.380 nan 0.000 0.566 105 S N 0.395 116.083 115.700 -0.020 0.000 2.378 105 S HA -0.274 4.196 4.470 -0.001 0.000 0.229 105 S C 1.576 176.175 174.600 -0.001 0.000 1.052 105 S CA 1.692 59.864 58.200 -0.047 0.000 1.084 105 S CB -0.522 62.617 63.200 -0.103 0.000 0.950 105 S HN 0.467 nan 8.310 nan 0.000 0.440 106 I N 1.570 122.170 120.570 0.052 0.000 2.286 106 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 106 I C 3.143 179.400 176.117 0.233 0.000 1.115 106 I CA 1.430 62.807 61.300 0.128 0.000 1.392 106 I CB -0.376 37.721 38.000 0.162 0.000 1.065 106 I HN 0.256 nan 8.210 nan 0.000 0.418 107 R N 0.754 121.355 120.500 0.167 0.000 2.081 107 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 107 R C 2.338 178.671 176.300 0.054 0.000 1.131 107 R CA 1.398 57.583 56.100 0.142 0.000 0.960 107 R CB -0.246 30.113 30.300 0.099 0.000 0.856 107 R HN 0.327 nan 8.270 nan 0.000 0.436 108 I N -0.342 120.242 120.570 0.023 0.000 2.252 108 I HA -0.143 4.026 4.170 -0.001 0.000 0.245 108 I C 2.348 178.437 176.117 -0.048 0.000 1.102 108 I CA 1.325 62.612 61.300 -0.022 0.000 1.385 108 I CB -0.535 37.445 38.000 -0.033 0.000 1.064 108 I HN 0.314 nan 8.210 nan 0.000 0.414 109 G N -0.317 108.466 108.800 -0.028 0.000 2.535 109 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 109 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 109 G C 1.682 176.527 174.900 -0.092 0.000 1.122 109 G CA 0.900 45.967 45.100 -0.055 0.000 0.769 109 G HN 0.371 nan 8.290 nan 0.000 0.549 110 S N -0.347 115.252 115.700 -0.168 0.000 2.383 110 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 110 S C 2.086 176.491 174.600 -0.326 0.000 1.030 110 S CA 2.169 60.061 58.200 -0.513 0.000 1.002 110 S CB -0.129 62.764 63.200 -0.511 0.000 0.829 110 S HN 0.605 nan 8.310 nan 0.000 0.467 111 K N -0.793 119.492 120.400 -0.191 0.000 2.410 111 K HA 0.269 4.588 4.320 -0.001 0.000 0.204 111 K C 1.185 177.723 176.600 -0.103 0.000 1.268 111 K CA 0.528 56.733 56.287 -0.136 0.000 0.896 111 K CB -0.341 32.095 32.500 -0.106 0.000 1.401 111 K HN 0.303 nan 8.250 nan 0.000 0.479 112 G N 1.084 109.830 108.800 -0.090 0.000 2.750 112 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.250 112 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.250 112 G C -0.721 174.111 174.900 -0.113 0.000 1.230 112 G CA -0.217 44.838 45.100 -0.076 0.000 0.883 112 G HN 0.395 nan 8.290 nan 0.000 0.573 113 D N 0.439 120.758 120.400 -0.134 0.000 2.518 113 D HA 0.272 4.912 4.640 -0.001 0.000 0.230 113 D C -0.284 175.780 176.300 -0.393 0.000 1.138 113 D CA 0.032 53.875 54.000 -0.261 0.000 0.964 113 D CB 1.353 41.980 40.800 -0.289 0.000 1.011 113 D HN -0.015 nan 8.370 nan 0.000 0.517 114 V N 2.056 121.785 119.914 -0.307 0.000 2.483 114 V HA 0.315 4.434 4.120 -0.001 0.000 0.295 114 V C 0.375 176.307 176.094 -0.271 0.000 1.035 114 V CA -0.860 61.265 62.300 -0.293 0.000 0.896 114 V CB 1.258 32.975 31.823 -0.176 0.000 0.986 114 V HN 0.273 nan 8.190 nan 0.000 0.447 115 F N 2.597 122.431 119.950 -0.193 0.000 2.506 115 F HA 0.207 4.734 4.527 -0.001 0.000 0.351 115 F C 0.629 176.345 175.800 -0.140 0.000 1.136 115 F CA 0.170 58.087 58.000 -0.139 0.000 1.298 115 F CB 1.108 40.062 39.000 -0.077 0.000 1.145 115 F HN 0.338 nan 8.300 nan 0.000 0.593 116 V N 6.920 126.926 119.914 0.154 0.000 2.427 116 V HA 0.452 4.571 4.120 -0.001 0.000 0.268 116 V C -0.227 175.926 176.094 0.099 0.000 1.046 116 V CA -0.246 62.091 62.300 0.062 0.000 0.970 116 V CB -0.089 31.768 31.823 0.056 0.000 1.001 116 V HN 0.613 nan 8.190 nan 0.000 0.476 117 I N 5.231 125.832 120.570 0.052 0.000 3.294 117 I HA 0.855 5.025 4.170 -0.001 0.000 0.311 117 I C -0.723 175.421 176.117 0.045 0.000 1.111 117 I CA -1.252 60.084 61.300 0.059 0.000 0.976 117 I CB 2.376 40.364 38.000 -0.021 0.000 1.260 117 I HN 0.400 nan 8.210 nan 0.000 0.474 118 R N 1.171 121.701 120.500 0.050 0.000 2.739 118 R HA 0.293 4.633 4.340 -0.001 0.000 0.271 118 R C -1.282 175.023 176.300 0.008 0.000 1.010 118 R CA -0.559 55.540 56.100 -0.001 0.000 0.897 118 R CB 1.505 31.788 30.300 -0.027 0.000 1.236 118 R HN 0.942 nan 8.270 nan 0.000 0.466 119 E N 0.371 120.549 120.200 -0.037 0.000 2.246 119 E HA -0.142 4.208 4.350 -0.001 0.000 0.173 119 E C -2.026 174.516 176.600 -0.098 0.000 1.532 119 E CA 0.115 56.529 56.400 0.023 0.000 0.672 119 E CB -1.067 28.740 29.700 0.179 0.000 1.078 119 E HN 0.253 nan 8.360 nan 0.000 0.338 120 P HA 0.056 nan 4.420 nan 0.000 0.220 120 P C -0.239 176.552 177.300 -0.848 0.000 1.806 120 P CA -0.373 62.500 63.100 -0.378 0.000 0.976 120 P CB -0.854 30.699 31.700 -0.245 0.000 1.952 121 F N 0.856 120.207 119.950 -0.999 0.000 2.450 121 F HA 0.433 4.960 4.527 -0.001 0.000 0.339 121 F C 0.080 175.501 175.800 -0.631 0.000 1.146 121 F CA -1.051 56.084 58.000 -1.441 0.000 1.267 121 F CB 0.087 38.763 39.000 -0.540 0.000 1.178 121 F HN -0.075 nan 8.300 nan 0.000 0.585 122 I N 1.777 122.137 120.570 -0.350 0.000 2.707 122 I HA 0.527 4.697 4.170 -0.001 0.000 0.309 122 I C -0.123 176.075 176.117 0.135 0.000 1.001 122 I CA -0.827 60.324 61.300 -0.247 0.000 1.129 122 I CB 1.855 39.354 38.000 -0.835 0.000 1.308 122 I HN 0.780 nan 8.210 nan 0.000 0.466 123 S N 2.631 118.477 115.700 0.242 0.000 2.542 123 S HA 0.543 5.013 4.470 -0.001 0.000 0.276 123 S C -1.337 173.625 174.600 0.603 0.000 1.148 123 S CA -0.520 57.978 58.200 0.498 0.000 0.886 123 S CB 1.061 64.613 63.200 0.587 0.000 1.109 123 S HN 0.682 nan 8.310 nan 0.000 0.458 124 c N 2.892 121.803 118.600 0.519 0.000 2.562 124 c HA 0.932 5.502 4.570 -0.001 0.000 0.332 124 c C 1.157 175.336 174.090 0.149 0.000 1.201 124 c CA -0.516 56.052 56.329 0.398 0.000 1.803 124 c CB 1.174 43.873 42.510 0.315 0.000 2.328 124 c HN 1.012 nan 8.230 nan 0.000 0.500 125 S N 0.518 116.176 115.700 -0.070 0.000 2.496 125 S HA 0.311 4.780 4.470 -0.001 0.000 0.260 125 S C 0.857 175.303 174.600 -0.257 0.000 1.122 125 S CA -0.000 57.843 58.200 -0.594 0.000 1.019 125 S CB -0.140 62.373 63.200 -1.144 0.000 1.226 125 S HN 0.929 nan 8.310 nan 0.000 0.502 126 H N 0.091 118.884 119.070 -0.463 0.000 2.551 126 H HA 0.438 4.993 4.556 -0.001 0.000 0.271 126 H C 1.021 176.281 175.328 -0.113 0.000 0.984 126 H CA 0.184 56.117 56.048 -0.192 0.000 1.164 126 H CB -0.302 29.375 29.762 -0.141 0.000 1.437 126 H HN 0.458 nan 8.280 nan 0.000 0.550 127 L N 0.029 120.937 121.223 -0.525 0.000 2.953 127 L HA 0.260 4.600 4.340 -0.001 0.000 0.258 127 L C -0.001 176.786 176.870 -0.138 0.000 1.100 127 L CA 0.073 54.691 54.840 -0.371 0.000 0.971 127 L CB 0.693 42.450 42.059 -0.503 0.000 1.474 127 L HN 0.201 nan 8.230 nan 0.000 0.540 128 E N -1.141 119.019 120.200 -0.067 0.000 2.430 128 E HA 0.435 4.784 4.350 -0.001 0.000 0.279 128 E C -1.620 175.082 176.600 0.169 0.000 1.003 128 E CA -0.881 55.553 56.400 0.057 0.000 0.801 128 E CB 1.896 31.633 29.700 0.062 0.000 1.313 128 E HN -0.147 nan 8.360 nan 0.000 0.459 129 c N 1.237 119.947 118.600 0.184 0.000 2.322 129 c HA 0.637 5.206 4.570 -0.001 0.000 0.324 129 c C -0.189 173.983 174.090 0.137 0.000 1.284 129 c CA -0.477 55.993 56.329 0.234 0.000 1.606 129 c CB -0.000 42.680 42.510 0.283 0.000 2.251 129 c HN 0.567 nan 8.230 nan 0.000 0.502 130 R N 1.184 121.772 120.500 0.148 0.000 2.892 130 R HA 0.684 5.024 4.340 -0.001 0.000 0.265 130 R C -0.827 175.371 176.300 -0.171 0.000 1.025 130 R CA -0.519 55.522 56.100 -0.099 0.000 0.982 130 R CB 1.748 31.848 30.300 -0.332 0.000 1.185 130 R HN 0.583 nan 8.270 nan 0.000 0.484 131 T N 2.253 116.609 114.554 -0.331 0.000 2.772 131 T HA 0.427 4.777 4.350 -0.001 0.000 0.288 131 T C -0.853 173.561 174.700 -0.478 0.000 0.994 131 T CA -0.346 61.559 62.100 -0.324 0.000 0.951 131 T CB 0.186 68.908 68.868 -0.244 0.000 0.933 131 T HN 0.166 nan 8.240 nan 0.000 0.447 132 F N 3.927 123.415 119.950 -0.771 0.000 2.399 132 F HA 0.776 5.303 4.527 -0.001 0.000 0.328 132 F C 0.076 175.411 175.800 -0.775 0.000 1.084 132 F CA -1.172 56.236 58.000 -0.986 0.000 1.053 132 F CB 0.955 39.039 39.000 -1.526 0.000 1.209 132 F HN 0.572 nan 8.300 nan 0.000 0.502 133 F N -0.594 119.086 119.950 -0.450 0.000 2.719 133 F HA 0.679 5.206 4.527 -0.001 0.000 0.309 133 F C -2.319 173.363 175.800 -0.196 0.000 1.138 133 F CA -1.611 56.208 58.000 -0.301 0.000 0.943 133 F CB 0.916 39.743 39.000 -0.288 0.000 1.304 133 F HN 0.194 nan 8.300 nan 0.000 0.445 134 L N 2.095 123.336 121.223 0.029 0.000 2.309 134 L HA 0.798 5.138 4.340 -0.001 0.000 0.282 134 L C -0.283 176.623 176.870 0.061 0.000 1.036 134 L CA -0.713 54.113 54.840 -0.023 0.000 0.806 134 L CB 2.231 44.318 42.059 0.048 0.000 1.220 134 L HN 0.945 nan 8.230 nan 0.000 0.429 135 T N -1.891 112.645 114.554 -0.031 0.000 2.893 135 T HA 0.277 4.626 4.350 -0.001 0.000 0.291 135 T C 0.181 174.889 174.700 0.012 0.000 1.028 135 T CA -0.853 61.234 62.100 -0.022 0.000 0.995 135 T CB 2.217 70.928 68.868 -0.260 0.000 1.051 135 T HN 0.409 nan 8.240 nan 0.000 0.470 136 Q N 0.709 120.551 119.800 0.071 0.000 2.444 136 Q HA 0.192 4.531 4.340 -0.001 0.000 0.206 136 Q C 1.397 177.457 176.000 0.100 0.000 0.948 136 Q CA 0.846 56.716 55.803 0.111 0.000 0.946 136 Q CB 0.110 28.923 28.738 0.125 0.000 1.027 136 Q HN 1.309 nan 8.270 nan 0.000 0.513 137 G N 0.636 109.474 108.800 0.064 0.000 2.212 137 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.255 137 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.255 137 G C -0.035 174.951 174.900 0.145 0.000 1.062 137 G CA 0.315 45.470 45.100 0.091 0.000 0.815 137 G HN 0.550 nan 8.290 nan 0.000 0.497 138 A N -0.709 122.244 122.820 0.222 0.000 2.515 138 A HA 0.915 5.235 4.320 -0.001 0.000 0.296 138 A C -0.231 177.440 177.584 0.144 0.000 1.094 138 A CA -0.809 51.319 52.037 0.151 0.000 0.718 138 A CB 1.408 20.487 19.000 0.133 0.000 1.307 138 A HN 0.792 nan 8.150 nan 0.000 0.408 139 L N 1.229 122.454 121.223 0.003 0.000 2.331 139 L HA 0.464 4.804 4.340 -0.001 0.000 0.275 139 L C -0.239 176.557 176.870 -0.123 0.000 1.022 139 L CA -0.751 54.022 54.840 -0.111 0.000 0.812 139 L CB 1.357 43.296 42.059 -0.201 0.000 1.257 139 L HN 0.637 nan 8.230 nan 0.000 0.435 140 L N 2.704 123.815 121.223 -0.185 0.000 2.483 140 L HA -0.005 4.335 4.340 -0.001 0.000 0.276 140 L C 1.187 177.936 176.870 -0.201 0.000 1.213 140 L CA 0.375 55.039 54.840 -0.295 0.000 0.843 140 L CB -0.038 41.856 42.059 -0.275 0.000 1.107 140 L HN 0.798 nan 8.230 nan 0.000 0.487 141 N N 0.400 118.966 118.700 -0.224 0.000 2.909 141 N HA -0.201 4.539 4.740 -0.001 0.000 0.242 141 N C -0.376 175.100 175.510 -0.056 0.000 0.975 141 N CA 1.273 54.276 53.050 -0.077 0.000 0.921 141 N CB -0.662 37.783 38.487 -0.070 0.000 1.112 141 N HN 0.834 nan 8.380 nan 0.000 0.581 142 D N 0.104 120.466 120.400 -0.063 0.000 2.228 142 D HA 0.287 4.926 4.640 -0.001 0.000 0.247 142 D C 1.426 177.725 176.300 -0.003 0.000 0.995 142 D CA -0.325 53.666 54.000 -0.014 0.000 0.903 142 D CB 0.945 41.758 40.800 0.021 0.000 1.205 142 D HN 0.177 nan 8.370 nan 0.000 0.459 143 K N 1.586 121.967 120.400 -0.033 0.000 2.281 143 K HA -0.194 4.126 4.320 -0.001 0.000 0.203 143 K C 0.957 177.487 176.600 -0.117 0.000 1.046 143 K CA 1.163 57.398 56.287 -0.087 0.000 0.938 143 K CB -0.179 32.224 32.500 -0.162 0.000 0.737 143 K HN 0.482 nan 8.250 nan 0.000 0.458 144 H N 1.125 120.196 119.070 0.003 0.000 2.559 144 H HA 0.023 4.579 4.556 -0.001 0.000 0.273 144 H C 1.502 176.845 175.328 0.026 0.000 1.000 144 H CA 1.303 57.354 56.048 0.005 0.000 1.195 144 H CB 0.281 30.035 29.762 -0.014 0.000 1.368 144 H HN 0.502 nan 8.280 nan 0.000 0.592 145 S N -0.130 115.640 115.700 0.116 0.000 2.593 145 S HA -0.069 4.401 4.470 -0.001 0.000 0.217 145 S C 1.680 176.376 174.600 0.160 0.000 0.966 145 S CA -0.178 58.092 58.200 0.117 0.000 0.914 145 S CB -0.023 63.194 63.200 0.029 0.000 0.776 145 S HN 0.277 nan 8.310 nan 0.000 0.523 146 N N 2.649 121.419 118.700 0.117 0.000 2.202 146 N HA -0.233 4.507 4.740 -0.001 0.000 0.197 146 N C 1.655 177.229 175.510 0.107 0.000 0.995 146 N CA 1.780 54.891 53.050 0.102 0.000 0.894 146 N CB -1.148 37.369 38.487 0.051 0.000 1.010 146 N HN 0.774 nan 8.380 nan 0.000 0.453 147 G N -1.183 107.684 108.800 0.112 0.000 2.216 147 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.269 147 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.269 147 G C 1.060 175.992 174.900 0.053 0.000 0.981 147 G CA 1.875 47.030 45.100 0.092 0.000 0.658 147 G HN 0.624 nan 8.290 nan 0.000 0.539 148 T N -1.632 112.947 114.554 0.043 0.000 3.035 148 T HA 0.294 4.644 4.350 -0.001 0.000 0.268 148 T C 1.404 176.117 174.700 0.023 0.000 1.109 148 T CA 0.675 62.788 62.100 0.022 0.000 1.119 148 T CB -0.011 68.866 68.868 0.016 0.000 0.900 148 T HN 0.690 nan 8.240 nan 0.000 0.503 149 V N 3.056 122.995 119.914 0.042 0.000 3.061 149 V HA 0.043 4.163 4.120 -0.001 0.000 0.306 149 V C 0.818 176.924 176.094 0.019 0.000 1.118 149 V CA -0.680 61.647 62.300 0.045 0.000 1.231 149 V CB -0.107 31.767 31.823 0.085 0.000 0.956 149 V HN 0.657 nan 8.190 nan 0.000 0.499 150 K N 2.786 123.184 120.400 -0.004 0.000 2.380 150 K HA 0.091 4.410 4.320 -0.001 0.000 0.267 150 K C 0.464 177.038 176.600 -0.043 0.000 0.990 150 K CA -0.248 56.013 56.287 -0.043 0.000 0.946 150 K CB 0.376 32.825 32.500 -0.084 0.000 0.937 150 K HN 0.540 nan 8.250 nan 0.000 0.491 151 D N 1.619 121.981 120.400 -0.062 0.000 2.092 151 D HA -0.142 4.498 4.640 -0.001 0.000 0.193 151 D C 0.285 176.541 176.300 -0.074 0.000 0.994 151 D CA 1.527 55.503 54.000 -0.039 0.000 0.828 151 D CB 0.079 40.860 40.800 -0.033 0.000 0.963 151 D HN 0.479 nan 8.370 nan 0.000 0.450 152 R N 1.542 121.880 120.500 -0.271 0.000 3.657 152 R HA 0.173 4.512 4.340 -0.001 0.000 0.220 152 R C 0.281 176.361 176.300 -0.367 0.000 1.548 152 R CA -0.244 55.511 56.100 -0.576 0.000 1.465 152 R CB 0.414 29.822 30.300 -1.487 0.000 1.330 152 R HN 0.061 nan 8.270 nan 0.000 0.707 153 S N 0.577 116.232 115.700 -0.074 0.000 2.693 153 S HA 0.378 4.847 4.470 -0.001 0.000 0.276 153 S C -1.452 173.153 174.600 0.008 0.000 1.192 153 S CA -1.290 56.882 58.200 -0.047 0.000 0.994 153 S CB 1.426 64.639 63.200 0.022 0.000 1.012 153 S HN 0.195 nan 8.310 nan 0.000 0.550 154 P HA 0.069 nan 4.420 nan 0.000 0.241 154 P C 0.280 177.493 177.300 -0.145 0.000 1.191 154 P CA 0.877 63.892 63.100 -0.142 0.000 0.771 154 P CB -0.338 31.220 31.700 -0.237 0.000 0.929 155 H N -1.594 117.533 119.070 0.095 0.000 2.553 155 H HA 0.202 4.758 4.556 -0.001 0.000 0.265 155 H C 0.958 176.331 175.328 0.074 0.000 0.964 155 H CA -0.422 55.668 56.048 0.071 0.000 1.156 155 H CB 0.020 29.814 29.762 0.054 0.000 1.411 155 H HN -0.085 nan 8.280 nan 0.000 0.558 156 R N 2.333 122.941 120.500 0.180 0.000 2.489 156 R HA 0.094 4.433 4.340 -0.001 0.000 0.287 156 R C -0.307 176.042 176.300 0.082 0.000 1.053 156 R CA 0.317 56.502 56.100 0.141 0.000 1.036 156 R CB 0.261 30.688 30.300 0.210 0.000 0.966 156 R HN 0.297 nan 8.270 nan 0.000 0.432 157 T N 1.370 115.924 114.554 -0.000 0.000 2.903 157 T HA 0.466 4.815 4.350 -0.001 0.000 0.299 157 T C -1.146 173.402 174.700 -0.255 0.000 1.093 157 T CA -1.037 61.014 62.100 -0.082 0.000 1.002 157 T CB 1.303 70.193 68.868 0.038 0.000 1.127 157 T HN 0.339 nan 8.240 nan 0.000 0.488 158 L N 2.661 123.659 121.223 -0.375 0.000 2.275 158 L HA 0.765 5.104 4.340 -0.001 0.000 0.288 158 L C -0.722 175.734 176.870 -0.691 0.000 1.046 158 L CA -0.345 54.229 54.840 -0.444 0.000 0.805 158 L CB 0.403 42.286 42.059 -0.293 0.000 1.193 158 L HN 0.846 nan 8.230 nan 0.000 0.426 159 M N 3.215 122.254 119.600 -0.935 0.000 2.704 159 M HA 0.670 5.150 4.480 -0.001 0.000 0.284 159 M C -0.716 174.789 176.300 -1.325 0.000 1.275 159 M CA -0.718 53.958 55.300 -1.040 0.000 0.811 159 M CB 2.567 34.589 32.600 -0.964 0.000 1.741 159 M HN 0.674 nan 8.290 nan 0.000 0.458 160 S N 0.200 115.328 115.700 -0.953 0.000 2.550 160 S HA 0.855 5.324 4.470 -0.001 0.000 0.270 160 S C -1.045 173.318 174.600 -0.395 0.000 1.145 160 S CA -0.826 56.834 58.200 -0.899 0.000 0.852 160 S CB 1.587 63.759 63.200 -1.713 0.000 1.119 160 S HN 1.118 nan 8.310 nan 0.000 0.465 161 C N -0.469 118.682 119.300 -0.248 0.000 3.171 161 C HA 0.890 5.350 4.460 -0.001 0.000 0.308 161 C C -3.003 171.869 174.990 -0.198 0.000 1.334 161 C CA -2.073 56.856 59.018 -0.149 0.000 1.473 161 C CB 1.269 28.991 27.740 -0.029 0.000 1.866 161 C HN 0.760 nan 8.230 nan 0.000 0.465 162 P HA 0.178 nan 4.420 nan 0.000 0.271 162 P C 0.130 177.349 177.300 -0.134 0.000 1.220 162 P CA 0.604 63.630 63.100 -0.123 0.000 0.768 162 P CB 0.523 32.172 31.700 -0.085 0.000 0.848 163 V N 3.147 122.982 119.914 -0.133 0.000 2.872 163 V HA 0.046 4.166 4.120 -0.001 0.000 0.302 163 V C 1.982 177.971 176.094 -0.175 0.000 1.166 163 V CA 2.093 64.299 62.300 -0.157 0.000 1.298 163 V CB -0.835 30.901 31.823 -0.144 0.000 0.894 163 V HN 1.087 nan 8.190 nan 0.000 0.509 164 G N 3.203 111.897 108.800 -0.177 0.000 2.253 164 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.251 164 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.251 164 G C 0.067 174.887 174.900 -0.133 0.000 0.998 164 G CA 0.357 45.358 45.100 -0.165 0.000 0.621 164 G HN 0.719 nan 8.290 nan 0.000 0.524 165 E N 0.720 120.841 120.200 -0.132 0.000 2.277 165 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 165 E C 0.590 177.106 176.600 -0.138 0.000 1.022 165 E CA -0.118 56.213 56.400 -0.115 0.000 0.853 165 E CB 1.306 30.947 29.700 -0.098 0.000 1.086 165 E HN 0.638 nan 8.360 nan 0.000 0.397 166 A N 4.782 127.529 122.820 -0.122 0.000 2.491 166 A HA 0.179 4.498 4.320 -0.001 0.000 0.261 166 A C -2.071 175.402 177.584 -0.185 0.000 1.101 166 A CA -1.167 50.781 52.037 -0.149 0.000 0.772 166 A CB -0.328 18.605 19.000 -0.112 0.000 1.043 166 A HN 0.341 nan 8.150 nan 0.000 0.501 167 P HA 0.072 nan 4.420 nan 0.000 0.265 167 P C 0.180 177.396 177.300 -0.139 0.000 1.222 167 P CA 0.539 63.444 63.100 -0.326 0.000 0.767 167 P CB 1.204 32.294 31.700 -1.017 0.000 0.801 168 S N 3.218 118.876 115.700 -0.069 0.000 4.019 168 S HA 0.150 4.620 4.470 -0.001 0.000 0.199 168 S C 1.058 175.480 174.600 -0.297 0.000 1.177 168 S CA -0.161 57.825 58.200 -0.356 0.000 1.478 168 S CB -0.528 62.462 63.200 -0.351 0.000 1.580 168 S HN 0.375 nan 8.310 nan 0.000 0.766 169 Y N 2.975 123.241 120.300 -0.056 0.000 4.456 169 Y HA -0.328 4.222 4.550 -0.001 0.000 0.291 169 Y C 1.423 177.312 175.900 -0.018 0.000 0.938 169 Y CA 1.405 59.481 58.100 -0.039 0.000 2.311 169 Y CB -1.512 36.907 38.460 -0.068 0.000 1.306 169 Y HN 0.805 nan 8.280 nan 0.000 0.527 170 N N -1.289 117.478 118.700 0.111 0.000 2.143 170 N HA 0.105 4.845 4.740 -0.001 0.000 0.222 170 N C -0.564 174.976 175.510 0.049 0.000 1.264 170 N CA 0.314 53.399 53.050 0.059 0.000 0.897 170 N CB 0.296 38.796 38.487 0.021 0.000 1.092 170 N HN 0.028 nan 8.380 nan 0.000 0.516 171 S N 0.847 116.612 115.700 0.109 0.000 2.508 171 S HA 0.336 4.805 4.470 -0.001 0.000 0.284 171 S C -0.239 174.393 174.600 0.052 0.000 1.192 171 S CA -0.814 57.459 58.200 0.122 0.000 1.070 171 S CB 2.126 65.535 63.200 0.348 0.000 1.004 171 S HN 0.264 nan 8.310 nan 0.000 0.493 172 R N 2.005 122.463 120.500 -0.070 0.000 2.428 172 R HA 0.337 4.677 4.340 -0.001 0.000 0.294 172 R C -1.007 175.221 176.300 -0.121 0.000 1.000 172 R CA -0.552 55.501 56.100 -0.078 0.000 0.960 172 R CB 0.512 30.722 30.300 -0.149 0.000 1.076 172 R HN 0.582 nan 8.270 nan 0.000 0.475 173 F N 3.667 123.530 119.950 -0.145 0.000 2.443 173 F HA 0.127 4.654 4.527 -0.001 0.000 0.353 173 F C 0.610 176.310 175.800 -0.168 0.000 1.101 173 F CA 0.233 58.134 58.000 -0.165 0.000 1.226 173 F CB 1.027 39.965 39.000 -0.103 0.000 1.140 173 F HN 0.657 nan 8.300 nan 0.000 0.557 174 E N 2.367 121.931 120.200 -1.060 0.000 2.279 174 E HA 0.162 4.512 4.350 -0.001 0.000 0.199 174 E C -0.143 175.963 176.600 -0.823 0.000 0.893 174 E CA 0.333 56.317 56.400 -0.694 0.000 0.978 174 E CB 0.574 30.011 29.700 -0.439 0.000 0.964 174 E HN 0.479 nan 8.360 nan 0.000 0.486 175 S N -0.535 114.466 115.700 -1.165 0.000 2.595 175 S HA 0.340 4.809 4.470 -0.001 0.000 0.270 175 S C -1.571 172.793 174.600 -0.392 0.000 1.145 175 S CA -0.632 57.207 58.200 -0.602 0.000 0.825 175 S CB 1.452 64.479 63.200 -0.288 0.000 1.107 175 S HN -0.102 nan 8.310 nan 0.000 0.461 176 V N 2.399 122.308 119.914 -0.008 0.000 2.408 176 V HA 0.815 4.934 4.120 -0.001 0.000 0.267 176 V C 0.402 176.442 176.094 -0.090 0.000 1.047 176 V CA 0.463 62.800 62.300 0.062 0.000 0.937 176 V CB 0.052 31.946 31.823 0.119 0.000 0.999 176 V HN 1.083 nan 8.190 nan 0.000 0.472 177 A N 5.213 127.968 122.820 -0.108 0.000 2.594 177 A HA 0.621 4.941 4.320 -0.001 0.000 0.296 177 A C -0.468 177.068 177.584 -0.080 0.000 1.056 177 A CA -0.702 51.201 52.037 -0.224 0.000 0.693 177 A CB 1.106 19.958 19.000 -0.246 0.000 1.278 177 A HN 0.962 nan 8.150 nan 0.000 0.408 178 W N 1.006 122.300 121.300 -0.010 0.000 2.846 178 W HA 0.561 5.221 4.660 -0.001 0.000 0.391 178 W C 0.006 176.538 176.519 0.022 0.000 1.011 178 W CA 0.310 57.658 57.345 0.004 0.000 1.832 178 W CB 0.164 29.626 29.460 0.003 0.000 1.151 178 W HN 1.036 nan 8.180 nan 0.000 0.582 179 S N 0.873 116.603 115.700 0.049 0.000 2.548 179 S HA 0.688 5.158 4.470 -0.001 0.000 0.278 179 S C -1.097 173.456 174.600 -0.079 0.000 1.150 179 S CA 0.217 58.458 58.200 0.069 0.000 0.907 179 S CB 1.148 64.398 63.200 0.084 0.000 1.108 179 S HN 0.499 nan 8.310 nan 0.000 0.459 180 A N 2.004 124.822 122.820 -0.005 0.000 2.511 180 A HA 0.960 5.279 4.320 -0.001 0.000 0.293 180 A C -0.637 176.905 177.584 -0.070 0.000 1.098 180 A CA -0.076 51.936 52.037 -0.041 0.000 0.643 180 A CB 0.789 19.785 19.000 -0.007 0.000 1.302 180 A HN 2.200 nan 8.150 nan 0.000 0.446 181 S N -0.949 114.689 115.700 -0.104 0.000 2.565 181 S HA 0.906 5.376 4.470 -0.001 0.000 0.274 181 S C -0.881 173.633 174.600 -0.143 0.000 1.144 181 S CA 0.333 58.377 58.200 -0.259 0.000 0.849 181 S CB 1.014 64.095 63.200 -0.198 0.000 1.103 181 S HN 2.663 nan 8.310 nan 0.000 0.455 182 A N 0.651 123.363 122.820 -0.180 0.000 2.594 182 A HA 0.939 5.259 4.320 -0.001 0.000 0.295 182 A C -0.452 177.159 177.584 0.045 0.000 1.071 182 A CA -0.307 51.646 52.037 -0.139 0.000 0.685 182 A CB 0.727 19.334 19.000 -0.654 0.000 1.285 182 A HN 2.452 nan 8.150 nan 0.000 0.405 183 c N -0.583 118.150 118.600 0.221 0.000 3.307 183 c HA 0.825 5.394 4.570 -0.001 0.000 0.333 183 c C -0.784 173.426 174.090 0.200 0.000 1.291 183 c CA -0.779 55.724 56.329 0.290 0.000 1.273 183 c CB 0.488 43.113 42.510 0.192 0.000 1.580 183 c HN 1.252 nan 8.230 nan 0.000 0.481 184 H N 0.691 119.657 119.070 -0.173 0.000 2.466 184 H HA 0.539 5.094 4.556 -0.001 0.000 0.338 184 H C 0.513 175.729 175.328 -0.187 0.000 1.091 184 H CA 0.049 55.800 56.048 -0.494 0.000 1.207 184 H CB 1.468 30.547 29.762 -1.138 0.000 1.466 184 H HN 0.847 nan 8.280 nan 0.000 0.493 185 D N 2.650 122.975 120.400 -0.125 0.000 2.349 185 D HA 0.129 4.769 4.640 -0.001 0.000 0.214 185 D C 1.384 177.726 176.300 0.070 0.000 1.063 185 D CA 0.643 54.658 54.000 0.025 0.000 0.847 185 D CB 0.416 41.239 40.800 0.038 0.000 0.933 185 D HN 0.878 nan 8.370 nan 0.000 0.513 186 G N -0.726 108.218 108.800 0.240 0.000 2.259 186 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 186 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 186 G C 1.143 175.981 174.900 -0.104 0.000 1.001 186 G CA 0.460 45.584 45.100 0.039 0.000 0.627 186 G HN 0.397 nan 8.290 nan 0.000 0.501 187 T N -0.149 114.352 114.554 -0.089 0.000 3.111 187 T HA 0.523 4.873 4.350 -0.001 0.000 0.236 187 T C 0.943 175.503 174.700 -0.233 0.000 0.984 187 T CA 1.463 63.500 62.100 -0.104 0.000 1.195 187 T CB 0.336 69.196 68.868 -0.013 0.000 0.929 187 T HN 0.448 nan 8.240 nan 0.000 0.431 188 S N -0.925 114.402 115.700 -0.621 0.000 2.697 188 S HA 0.555 5.025 4.470 -0.001 0.000 0.289 188 S C -1.860 172.059 174.600 -1.135 0.000 1.149 188 S CA -0.978 56.717 58.200 -0.841 0.000 0.850 188 S CB 1.296 63.922 63.200 -0.956 0.000 1.151 188 S HN 0.384 nan 8.310 nan 0.000 0.491 189 W N 1.476 122.417 121.300 -0.599 0.000 2.316 189 W HA 0.594 5.253 4.660 -0.001 0.000 0.321 189 W C -0.448 175.925 176.519 -0.244 0.000 1.203 189 W CA -0.233 56.935 57.345 -0.294 0.000 1.214 189 W CB 0.686 30.143 29.460 -0.005 0.000 1.169 189 W HN 0.333 nan 8.180 nan 0.000 0.561 190 L N 4.502 125.858 121.223 0.221 0.000 2.319 190 L HA 0.614 4.954 4.340 -0.001 0.000 0.281 190 L C -0.081 176.874 176.870 0.142 0.000 1.005 190 L CA -0.274 54.678 54.840 0.187 0.000 0.828 190 L CB 0.971 43.140 42.059 0.184 0.000 1.227 190 L HN 0.380 nan 8.230 nan 0.000 0.415 191 T N 2.974 117.574 114.554 0.078 0.000 2.856 191 T HA 0.744 5.093 4.350 -0.001 0.000 0.283 191 T C -0.246 174.433 174.700 -0.035 0.000 1.008 191 T CA -0.542 61.557 62.100 -0.003 0.000 0.997 191 T CB 1.314 70.169 68.868 -0.023 0.000 0.992 191 T HN 0.481 nan 8.240 nan 0.000 0.454 192 I N 2.124 122.652 120.570 -0.070 0.000 2.439 192 I HA 0.538 4.708 4.170 -0.001 0.000 0.283 192 I C 0.414 176.451 176.117 -0.133 0.000 1.023 192 I CA -0.886 60.352 61.300 -0.104 0.000 1.100 192 I CB 1.691 39.622 38.000 -0.116 0.000 1.238 192 I HN 0.966 nan 8.210 nan 0.000 0.445 193 G N 7.340 116.045 108.800 -0.159 0.000 2.487 193 G HA2 0.706 4.666 3.960 -0.001 0.000 0.314 193 G HA3 0.706 4.666 3.960 -0.001 0.000 0.314 193 G C -0.711 174.015 174.900 -0.289 0.000 1.267 193 G CA -0.404 44.571 45.100 -0.209 0.000 0.937 193 G HN 0.484 nan 8.290 nan 0.000 0.481 194 I N 2.199 122.505 120.570 -0.439 0.000 2.312 194 I HA 0.397 4.566 4.170 -0.001 0.000 0.290 194 I C 0.338 175.792 176.117 -1.105 0.000 1.008 194 I CA -0.161 60.739 61.300 -0.666 0.000 1.226 194 I CB 1.615 39.165 38.000 -0.751 0.000 1.371 194 I HN 0.425 nan 8.210 nan 0.000 0.468 195 S N 3.632 118.903 115.700 -0.715 0.000 2.704 195 S HA 0.984 5.454 4.470 -0.001 0.000 0.296 195 S C -0.268 174.298 174.600 -0.057 0.000 1.138 195 S CA 0.197 58.078 58.200 -0.531 0.000 0.875 195 S CB 1.957 65.034 63.200 -0.204 0.000 1.151 195 S HN 1.050 nan 8.310 nan 0.000 0.500 196 G N 1.538 110.508 108.800 0.283 0.000 2.373 196 G HA2 0.062 4.022 3.960 -0.001 0.000 0.634 196 G HA3 0.062 4.022 3.960 -0.001 0.000 0.634 196 G C -3.373 171.724 174.900 0.328 0.000 1.267 196 G CA -0.515 44.727 45.100 0.238 0.000 1.008 196 G HN 0.667 nan 8.290 nan 0.000 0.497 197 P HA 0.384 nan 4.420 nan 0.000 0.281 197 P C -0.076 177.281 177.300 0.095 0.000 1.249 197 P CA -0.199 62.956 63.100 0.092 0.000 0.810 197 P CB 1.172 32.897 31.700 0.042 0.000 1.008 198 D N 1.237 121.628 120.400 -0.016 0.000 2.133 198 D HA -0.183 4.457 4.640 -0.001 0.000 0.195 198 D C 1.248 177.543 176.300 -0.008 0.000 0.997 198 D CA 1.686 55.658 54.000 -0.046 0.000 0.840 198 D CB -0.584 40.143 40.800 -0.122 0.000 0.947 198 D HN 0.534 nan 8.370 nan 0.000 0.452 199 N N -0.635 118.057 118.700 -0.013 0.000 2.362 199 N HA 0.129 4.869 4.740 -0.001 0.000 0.204 199 N C 0.781 176.289 175.510 -0.004 0.000 1.166 199 N CA 0.457 53.495 53.050 -0.019 0.000 0.831 199 N CB 0.417 38.891 38.487 -0.023 0.000 1.008 199 N HN 0.128 nan 8.380 nan 0.000 0.472 200 G N -1.777 107.037 108.800 0.024 0.000 5.310 200 G HA2 0.417 4.376 3.960 -0.001 0.000 0.203 200 G HA3 0.417 4.376 3.960 -0.001 0.000 0.203 200 G C -0.009 174.922 174.900 0.051 0.000 0.800 200 G CA -0.048 45.068 45.100 0.027 0.000 0.754 200 G HN 0.506 nan 8.290 nan 0.000 0.308 201 A N -0.149 122.729 122.820 0.096 0.000 2.577 201 A HA 0.546 4.866 4.320 -0.001 0.000 0.233 201 A C 0.318 177.904 177.584 0.004 0.000 1.076 201 A CA 0.803 52.906 52.037 0.110 0.000 0.767 201 A CB 0.975 20.108 19.000 0.221 0.000 1.017 201 A HN 1.534 nan 8.150 nan 0.000 0.511 202 V N 0.309 120.189 119.914 -0.057 0.000 2.808 202 V HA 0.711 4.830 4.120 -0.001 0.000 0.308 202 V C -0.112 175.893 176.094 -0.148 0.000 1.099 202 V CA -0.020 62.237 62.300 -0.070 0.000 0.920 202 V CB 1.763 33.563 31.823 -0.038 0.000 1.014 202 V HN 1.792 nan 8.190 nan 0.000 0.425 203 A N 5.858 128.592 122.820 -0.143 0.000 2.260 203 A HA 0.775 5.094 4.320 -0.001 0.000 0.314 203 A C -0.625 176.873 177.584 -0.142 0.000 1.257 203 A CA -0.477 51.448 52.037 -0.187 0.000 0.871 203 A CB 1.172 20.045 19.000 -0.211 0.000 1.166 203 A HN 1.183 nan 8.150 nan 0.000 0.522 204 V N 4.646 124.479 119.914 -0.135 0.000 2.383 204 V HA 0.270 4.389 4.120 -0.001 0.000 0.275 204 V C -0.026 176.017 176.094 -0.085 0.000 1.036 204 V CA -0.172 62.074 62.300 -0.090 0.000 0.889 204 V CB 0.864 32.645 31.823 -0.070 0.000 0.985 204 V HN 0.721 nan 8.190 nan 0.000 0.459 205 L N 5.666 126.850 121.223 -0.065 0.000 2.275 205 L HA 0.600 4.939 4.340 -0.001 0.000 0.288 205 L C -0.005 176.867 176.870 0.002 0.000 1.046 205 L CA -0.522 54.292 54.840 -0.044 0.000 0.805 205 L CB 1.106 43.132 42.059 -0.054 0.000 1.193 205 L HN 0.540 nan 8.230 nan 0.000 0.426 206 K N 3.036 123.453 120.400 0.029 0.000 2.324 206 K HA 0.439 4.758 4.320 -0.001 0.000 0.253 206 K C -1.602 175.087 176.600 0.148 0.000 0.932 206 K CA -0.706 55.623 56.287 0.070 0.000 0.799 206 K CB 2.693 35.216 32.500 0.038 0.000 1.154 206 K HN 0.384 nan 8.250 nan 0.000 0.425 207 Y N 3.205 123.512 120.300 0.012 0.000 2.326 207 Y HA 0.119 4.669 4.550 -0.001 0.000 0.331 207 Y C 0.210 176.133 175.900 0.037 0.000 0.962 207 Y CA -0.408 57.701 58.100 0.015 0.000 1.167 207 Y CB 0.907 39.359 38.460 -0.013 0.000 1.148 207 Y HN 0.783 nan 8.280 nan 0.000 0.463 208 N N 4.198 122.745 118.700 -0.254 0.000 2.735 208 N HA -0.214 4.525 4.740 -0.001 0.000 0.248 208 N C 0.718 176.230 175.510 0.003 0.000 1.083 208 N CA 1.726 54.695 53.050 -0.135 0.000 0.703 208 N CB -1.156 37.221 38.487 -0.183 0.000 1.005 208 N HN 1.402 nan 8.380 nan 0.000 0.550 209 G N -0.923 107.897 108.800 0.033 0.000 2.253 209 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.251 209 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.251 209 G C 0.320 175.256 174.900 0.060 0.000 0.998 209 G CA 0.587 45.716 45.100 0.049 0.000 0.621 209 G HN 1.092 nan 8.290 nan 0.000 0.524 210 I N -0.378 120.232 120.570 0.067 0.000 2.412 210 I HA 0.713 4.883 4.170 -0.001 0.000 0.296 210 I C 0.660 176.820 176.117 0.071 0.000 0.987 210 I CA -1.545 59.796 61.300 0.067 0.000 1.180 210 I CB 1.187 39.227 38.000 0.067 0.000 1.340 210 I HN 0.044 nan 8.210 nan 0.000 0.455 211 I N 5.505 126.105 120.570 0.050 0.000 2.683 211 I HA -0.025 4.145 4.170 -0.001 0.000 0.286 211 I C 1.274 177.412 176.117 0.035 0.000 1.175 211 I CA 0.474 61.796 61.300 0.036 0.000 1.429 211 I CB 0.987 39.000 38.000 0.021 0.000 1.371 211 I HN 0.877 nan 8.210 nan 0.000 0.569 212 T N -0.441 114.129 114.554 0.028 0.000 2.958 212 T HA 0.242 4.592 4.350 -0.001 0.000 0.256 212 T C 0.093 174.782 174.700 -0.017 0.000 0.983 212 T CA -0.218 61.887 62.100 0.009 0.000 0.924 212 T CB 0.502 69.375 68.868 0.008 0.000 1.136 212 T HN 0.613 nan 8.240 nan 0.000 0.506 213 D N -0.919 119.470 120.400 -0.020 0.000 2.725 213 D HA 0.519 5.159 4.640 -0.001 0.000 0.292 213 D C -1.730 174.548 176.300 -0.036 0.000 1.288 213 D CA -0.127 53.855 54.000 -0.029 0.000 0.784 213 D CB 1.731 42.506 40.800 -0.041 0.000 1.308 213 D HN 0.002 nan 8.370 nan 0.000 0.429 214 T N 0.473 115.006 114.554 -0.036 0.000 2.894 214 T HA 0.693 5.043 4.350 -0.001 0.000 0.309 214 T C -1.007 173.671 174.700 -0.037 0.000 1.208 214 T CA -0.404 61.670 62.100 -0.043 0.000 1.016 214 T CB 0.967 69.820 68.868 -0.025 0.000 1.192 214 T HN 0.263 nan 8.240 nan 0.000 0.491 215 I N 2.492 123.031 120.570 -0.050 0.000 2.500 215 I HA 0.390 4.559 4.170 -0.001 0.000 0.286 215 I C -0.349 175.788 176.117 0.034 0.000 1.063 215 I CA -0.845 60.450 61.300 -0.008 0.000 1.062 215 I CB 2.059 39.990 38.000 -0.114 0.000 1.223 215 I HN 0.284 nan 8.210 nan 0.000 0.435 216 K N 3.162 123.617 120.400 0.092 0.000 2.144 216 K HA 0.329 4.649 4.320 -0.001 0.000 0.270 216 K C 0.230 176.923 176.600 0.156 0.000 1.005 216 K CA -0.302 56.039 56.287 0.092 0.000 0.932 216 K CB 1.390 33.939 32.500 0.082 0.000 1.021 216 K HN 0.515 nan 8.250 nan 0.000 0.462 217 S N 1.910 117.641 115.700 0.053 0.000 2.546 217 S HA -0.036 4.434 4.470 -0.001 0.000 0.290 217 S C 0.337 174.951 174.600 0.024 0.000 1.290 217 S CA -0.132 58.031 58.200 -0.063 0.000 1.069 217 S CB 0.164 63.303 63.200 -0.102 0.000 0.846 217 S HN 0.689 nan 8.310 nan 0.000 0.495 218 W N 5.298 126.612 121.300 0.024 0.000 3.127 218 W HA 0.518 5.177 4.660 -0.001 0.000 0.344 218 W C 1.076 177.592 176.519 -0.005 0.000 1.151 218 W CA -0.548 56.803 57.345 0.010 0.000 1.765 218 W CB 0.226 29.693 29.460 0.012 0.000 1.085 218 W HN 0.471 nan 8.180 nan 0.000 0.596 219 R N 1.028 121.271 120.500 -0.429 0.000 2.509 219 R HA 0.072 4.412 4.340 -0.001 0.000 0.297 219 R C 0.125 176.314 176.300 -0.186 0.000 0.951 219 R CA 0.079 56.015 56.100 -0.274 0.000 1.103 219 R CB -0.812 29.251 30.300 -0.396 0.000 1.283 219 R HN 0.131 nan 8.270 nan 0.000 0.534 220 N N 1.829 120.425 118.700 -0.174 0.000 2.721 220 N HA -0.227 4.513 4.740 -0.001 0.000 0.249 220 N C -0.512 174.935 175.510 -0.105 0.000 1.072 220 N CA 0.947 53.936 53.050 -0.102 0.000 0.710 220 N CB -1.361 37.093 38.487 -0.054 0.000 0.993 220 N HN 0.234 nan 8.380 nan 0.000 0.547 221 N N 0.610 119.221 118.700 -0.149 0.000 2.726 221 N HA 0.300 5.039 4.740 -0.001 0.000 0.253 221 N C -0.315 175.134 175.510 -0.102 0.000 1.530 221 N CA -0.413 52.566 53.050 -0.118 0.000 0.772 221 N CB -0.174 38.237 38.487 -0.126 0.000 1.220 221 N HN 0.286 nan 8.380 nan 0.000 0.508 222 I N 0.512 121.055 120.570 -0.044 0.000 7.004 222 I HA -0.316 3.854 4.170 -0.001 0.000 0.126 222 I C -0.178 175.997 176.117 0.097 0.000 1.826 222 I CA -0.021 61.306 61.300 0.047 0.000 2.066 222 I CB -0.848 37.141 38.000 -0.018 0.000 3.565 222 I HN 0.343 nan 8.210 nan 0.000 0.178 223 L N 5.555 126.810 121.223 0.053 0.000 2.578 223 L HA 0.174 4.513 4.340 -0.001 0.000 0.279 223 L C 0.900 177.830 176.870 0.099 0.000 1.227 223 L CA 1.018 55.823 54.840 -0.058 0.000 0.900 223 L CB 0.190 42.181 42.059 -0.112 0.000 1.144 223 L HN 0.510 nan 8.230 nan 0.000 0.496 224 R N 2.431 122.971 120.500 0.067 0.000 2.764 224 R HA 0.743 5.082 4.340 -0.001 0.000 0.270 224 R C -0.858 175.498 176.300 0.094 0.000 1.014 224 R CA -0.771 55.407 56.100 0.130 0.000 0.904 224 R CB 1.462 31.895 30.300 0.221 0.000 1.236 224 R HN 0.564 nan 8.270 nan 0.000 0.466 225 T N -1.352 113.252 114.554 0.083 0.000 2.604 225 T HA 0.161 4.510 4.350 -0.001 0.000 0.267 225 T C 0.717 175.471 174.700 0.091 0.000 0.923 225 T CA -0.408 61.736 62.100 0.073 0.000 1.077 225 T CB 1.483 70.349 68.868 -0.003 0.000 1.392 225 T HN 0.663 nan 8.240 nan 0.000 0.531 226 Q N 0.173 120.007 119.800 0.057 0.000 2.062 226 Q HA -0.136 4.203 4.340 -0.001 0.000 0.209 226 Q C -0.115 175.928 176.000 0.071 0.000 0.996 226 Q CA 1.884 57.720 55.803 0.054 0.000 0.859 226 Q CB -0.064 28.671 28.738 -0.005 0.000 0.920 226 Q HN 0.636 nan 8.270 nan 0.000 0.415 227 E N -0.670 119.522 120.200 -0.013 0.000 3.303 227 E HA -0.137 4.213 4.350 -0.001 0.000 0.302 227 E C -0.598 175.952 176.600 -0.083 0.000 0.902 227 E CA 1.087 57.532 56.400 0.076 0.000 1.042 227 E CB -2.022 27.881 29.700 0.337 0.000 1.528 227 E HN 0.475 nan 8.360 nan 0.000 0.424 228 S N -1.866 113.494 115.700 -0.567 0.000 2.636 228 S HA 0.375 4.844 4.470 -0.001 0.000 0.266 228 S C -0.468 173.679 174.600 -0.754 0.000 1.147 228 S CA -0.712 57.069 58.200 -0.699 0.000 0.815 228 S CB 2.156 65.528 63.200 0.285 0.000 1.119 228 S HN 0.158 nan 8.310 nan 0.000 0.470 229 E N 0.256 120.303 120.200 -0.255 0.000 2.502 229 E HA 0.221 4.571 4.350 -0.001 0.000 0.261 229 E C 0.247 176.891 176.600 0.072 0.000 0.974 229 E CA -0.148 56.271 56.400 0.031 0.000 0.936 229 E CB 0.041 29.947 29.700 0.343 0.000 0.926 229 E HN 0.737 nan 8.360 nan 0.000 0.459 230 c N 2.382 121.034 118.600 0.088 0.000 2.345 230 c HA 0.873 5.443 4.570 -0.001 0.000 0.369 230 c C 0.343 174.558 174.090 0.207 0.000 1.273 230 c CA -0.818 55.595 56.329 0.140 0.000 2.310 230 c CB 0.363 42.944 42.510 0.119 0.000 2.219 230 c HN 0.748 nan 8.230 nan 0.000 0.587 231 A N -0.192 122.780 122.820 0.253 0.000 2.330 231 A HA 0.715 5.034 4.320 -0.001 0.000 0.327 231 A C -0.495 177.299 177.584 0.349 0.000 1.155 231 A CA -0.297 51.901 52.037 0.268 0.000 0.803 231 A CB 0.269 19.389 19.000 0.199 0.000 1.208 231 A HN 1.058 nan 8.150 nan 0.000 0.477 232 c N 1.194 119.961 118.600 0.279 0.000 2.493 232 c HA 0.865 5.435 4.570 -0.001 0.000 0.326 232 c C -0.217 174.028 174.090 0.259 0.000 1.200 232 c CA -0.470 56.023 56.329 0.272 0.000 1.739 232 c CB 1.122 43.730 42.510 0.163 0.000 2.300 232 c HN 0.700 nan 8.230 nan 0.000 0.500 233 V N 2.304 122.395 119.914 0.295 0.000 2.891 233 V HA 0.440 4.560 4.120 -0.001 0.000 0.304 233 V C 0.012 176.218 176.094 0.186 0.000 1.171 233 V CA -0.515 61.917 62.300 0.220 0.000 0.943 233 V CB 1.867 33.814 31.823 0.206 0.000 1.037 233 V HN 0.961 nan 8.190 nan 0.000 0.427 234 N N 2.881 121.652 118.700 0.117 0.000 2.701 234 N HA -0.205 4.534 4.740 -0.001 0.000 0.250 234 N C 0.960 176.513 175.510 0.071 0.000 1.046 234 N CA 2.049 55.151 53.050 0.085 0.000 0.733 234 N CB -0.933 37.607 38.487 0.088 0.000 0.973 234 N HN 2.153 nan 8.380 nan 0.000 0.541 235 G N -2.657 106.183 108.800 0.066 0.000 2.136 235 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.242 235 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.242 235 G C -0.172 174.726 174.900 -0.003 0.000 0.989 235 G CA 0.403 45.521 45.100 0.030 0.000 0.682 235 G HN 0.801 nan 8.290 nan 0.000 0.522 236 S N -0.785 114.929 115.700 0.024 0.000 2.532 236 S HA 0.653 5.123 4.470 -0.001 0.000 0.299 236 S C 0.014 174.514 174.600 -0.167 0.000 1.105 236 S CA -0.425 57.697 58.200 -0.130 0.000 1.018 236 S CB 2.131 65.258 63.200 -0.121 0.000 1.021 236 S HN 0.569 nan 8.310 nan 0.000 0.483 237 c N 3.206 121.612 118.600 -0.323 0.000 2.376 237 c HA 0.775 5.345 4.570 -0.001 0.000 0.335 237 c C -0.653 173.205 174.090 -0.386 0.000 1.229 237 c CA -0.777 55.467 56.329 -0.142 0.000 1.867 237 c CB -0.399 42.104 42.510 -0.011 0.000 2.319 237 c HN 0.795 nan 8.230 nan 0.000 0.515 238 F N 0.766 120.806 119.950 0.150 0.000 2.546 238 F HA 0.744 5.270 4.527 -0.001 0.000 0.320 238 F C 0.458 176.374 175.800 0.193 0.000 1.076 238 F CA -0.475 57.642 58.000 0.195 0.000 0.928 238 F CB 1.898 41.110 39.000 0.354 0.000 1.189 238 F HN 0.508 nan 8.300 nan 0.000 0.465 239 T N 0.969 115.738 114.554 0.357 0.000 2.843 239 T HA 0.741 5.091 4.350 -0.001 0.000 0.302 239 T C -1.931 172.943 174.700 0.290 0.000 1.232 239 T CA -0.512 61.746 62.100 0.263 0.000 1.009 239 T CB 1.508 70.453 68.868 0.129 0.000 1.254 239 T HN 0.372 nan 8.240 nan 0.000 0.504 240 V N 3.911 123.969 119.914 0.239 0.000 2.604 240 V HA 0.686 4.805 4.120 -0.001 0.000 0.305 240 V C -0.305 175.940 176.094 0.252 0.000 1.043 240 V CA -0.721 61.719 62.300 0.232 0.000 0.888 240 V CB 1.726 33.644 31.823 0.157 0.000 0.995 240 V HN 0.855 nan 8.190 nan 0.000 0.429 241 M N 2.471 122.291 119.600 0.366 0.000 2.572 241 M HA 0.595 5.074 4.480 -0.001 0.000 0.299 241 M C -0.778 175.788 176.300 0.443 0.000 1.205 241 M CA -0.391 55.132 55.300 0.371 0.000 0.876 241 M CB 2.786 35.643 32.600 0.428 0.000 1.728 241 M HN 0.572 nan 8.290 nan 0.000 0.458 242 T N 0.504 115.230 114.554 0.286 0.000 2.893 242 T HA 0.534 4.884 4.350 -0.001 0.000 0.291 242 T C -1.590 173.062 174.700 -0.080 0.000 1.028 242 T CA -0.534 61.691 62.100 0.209 0.000 0.995 242 T CB 1.797 70.807 68.868 0.237 0.000 1.051 242 T HN 0.568 nan 8.240 nan 0.000 0.470 243 D N 0.322 120.556 120.400 -0.276 0.000 2.890 243 D HA 0.625 5.264 4.640 -0.001 0.000 0.233 243 D C -0.091 175.987 176.300 -0.370 0.000 1.306 243 D CA 0.377 54.059 54.000 -0.529 0.000 0.929 243 D CB 1.484 41.462 40.800 -1.371 0.000 1.512 243 D HN 0.966 nan 8.370 nan 0.000 0.568 244 G N 2.858 111.511 108.800 -0.245 0.000 2.346 244 G HA2 0.102 4.061 3.960 -0.001 0.000 0.294 244 G HA3 0.102 4.061 3.960 -0.001 0.000 0.294 244 G C -2.969 171.867 174.900 -0.107 0.000 1.294 244 G CA -0.799 44.192 45.100 -0.181 0.000 0.962 244 G HN 0.380 nan 8.290 nan 0.000 0.508 245 P HA 0.205 nan 4.420 nan 0.000 0.269 245 P C 0.805 178.118 177.300 0.021 0.000 1.215 245 P CA 0.695 63.751 63.100 -0.073 0.000 0.780 245 P CB 1.123 32.739 31.700 -0.140 0.000 0.898 246 S N -0.156 115.568 115.700 0.039 0.000 2.575 246 S HA 0.076 4.546 4.470 -0.001 0.000 0.215 246 S C 0.861 175.460 174.600 -0.001 0.000 0.966 246 S CA -0.222 58.068 58.200 0.150 0.000 0.911 246 S CB -0.476 62.804 63.200 0.134 0.000 0.780 246 S HN 0.355 nan 8.310 nan 0.000 0.514 247 N N 2.110 120.709 118.700 -0.168 0.000 1.785 247 N HA 0.323 5.063 4.740 -0.001 0.000 0.207 247 N C 1.154 176.037 175.510 -1.046 0.000 1.228 247 N CA 0.231 53.061 53.050 -0.367 0.000 0.988 247 N CB -1.175 37.173 38.487 -0.231 0.000 1.281 247 N HN 0.350 nan 8.380 nan 0.000 0.374 248 G N 1.033 109.130 108.800 -1.172 0.000 2.608 248 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.291 248 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.291 248 G C 0.182 174.148 174.900 -1.556 0.000 1.306 248 G CA -0.048 43.888 45.100 -1.940 0.000 1.085 248 G HN 0.235 nan 8.290 nan 0.000 0.619 249 Q N -1.020 117.998 119.800 -1.304 0.000 2.492 249 Q HA 0.261 4.601 4.340 -0.001 0.000 0.366 249 Q C 0.450 176.324 176.000 -0.210 0.000 1.172 249 Q CA 1.181 56.754 55.803 -0.383 0.000 1.089 249 Q CB 0.497 29.192 28.738 -0.072 0.000 1.174 249 Q HN 0.824 nan 8.270 nan 0.000 0.421 250 A N 1.749 124.501 122.820 -0.114 0.000 2.564 250 A HA 0.615 4.935 4.320 -0.001 0.000 0.288 250 A C -0.946 176.185 177.584 -0.755 0.000 1.164 250 A CA -0.325 51.520 52.037 -0.321 0.000 0.712 250 A CB 1.868 20.745 19.000 -0.206 0.000 1.303 250 A HN 0.551 nan 8.150 nan 0.000 0.418 251 S N -0.707 114.637 115.700 -0.594 0.000 2.525 251 S HA 0.754 5.223 4.470 -0.001 0.000 0.290 251 S C -1.560 172.753 174.600 -0.478 0.000 1.152 251 S CA -0.252 57.696 58.200 -0.421 0.000 1.072 251 S CB 0.151 63.500 63.200 0.247 0.000 1.027 251 S HN 0.499 nan 8.310 nan 0.000 0.500 252 Y N 2.312 122.738 120.300 0.210 0.000 2.406 252 Y HA 0.572 5.121 4.550 -0.001 0.000 0.340 252 Y C 0.125 175.996 175.900 -0.048 0.000 0.975 252 Y CA -0.996 57.180 58.100 0.128 0.000 1.056 252 Y CB 1.550 40.003 38.460 -0.011 0.000 1.210 252 Y HN 0.432 nan 8.280 nan 0.000 0.448 253 K N 3.402 123.862 120.400 0.099 0.000 2.385 253 K HA 0.686 5.005 4.320 -0.001 0.000 0.248 253 K C -1.304 175.135 176.600 -0.269 0.000 0.955 253 K CA -0.856 55.261 56.287 -0.283 0.000 0.816 253 K CB 2.808 34.906 32.500 -0.670 0.000 1.250 253 K HN 0.599 nan 8.250 nan 0.000 0.434 254 I N 2.631 122.887 120.570 -0.524 0.000 2.354 254 I HA 0.336 4.506 4.170 -0.001 0.000 0.292 254 I C -0.902 174.898 176.117 -0.529 0.000 0.989 254 I CA -0.666 60.359 61.300 -0.459 0.000 1.188 254 I CB 0.684 38.234 38.000 -0.750 0.000 1.342 254 I HN 0.332 nan 8.210 nan 0.000 0.457 255 F N 5.111 124.971 119.950 -0.151 0.000 2.480 255 F HA 0.498 5.025 4.527 -0.001 0.000 0.329 255 F C 0.201 175.934 175.800 -0.111 0.000 1.091 255 F CA -0.745 57.182 58.000 -0.122 0.000 0.972 255 F CB 1.626 40.573 39.000 -0.089 0.000 1.150 255 F HN 0.269 nan 8.300 nan 0.000 0.467 256 K N 5.371 125.757 120.400 -0.022 0.000 2.450 256 K HA 0.612 4.931 4.320 -0.001 0.000 0.257 256 K C -1.262 175.192 176.600 -0.244 0.000 0.953 256 K CA -0.639 55.465 56.287 -0.305 0.000 0.844 256 K CB 0.952 33.335 32.500 -0.194 0.000 1.103 256 K HN 0.775 nan 8.250 nan 0.000 0.429 257 M N 1.711 121.116 119.600 -0.326 0.000 2.591 257 M HA 0.522 5.001 4.480 -0.001 0.000 0.306 257 M C -1.325 174.830 176.300 -0.241 0.000 1.190 257 M CA -0.752 54.422 55.300 -0.210 0.000 0.889 257 M CB 2.120 34.641 32.600 -0.133 0.000 1.728 257 M HN 0.435 nan 8.290 nan 0.000 0.458 258 E N 0.988 121.061 120.200 -0.211 0.000 2.256 258 E HA 0.386 4.735 4.350 -0.001 0.000 0.268 258 E C -1.141 175.254 176.600 -0.341 0.000 0.877 258 E CA -0.826 55.434 56.400 -0.233 0.000 0.757 258 E CB 2.224 31.818 29.700 -0.177 0.000 1.183 258 E HN 0.723 nan 8.360 nan 0.000 0.418 259 K N 1.254 121.308 120.400 -0.578 0.000 3.035 259 K HA -0.285 4.034 4.320 -0.001 0.000 0.262 259 K C 0.650 176.740 176.600 -0.850 0.000 1.024 259 K CA 0.636 56.194 56.287 -1.215 0.000 0.748 259 K CB -1.467 30.592 32.500 -0.735 0.000 1.247 259 K HN 1.114 nan 8.250 nan 0.000 0.482 260 G N 0.282 108.823 108.800 -0.432 0.000 2.162 260 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.260 260 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.260 260 G C -0.069 174.762 174.900 -0.114 0.000 0.976 260 G CA 0.898 45.926 45.100 -0.121 0.000 0.655 260 G HN 0.397 nan 8.290 nan 0.000 0.533 261 K N 0.538 120.845 120.400 -0.155 0.000 2.244 261 K HA 0.600 4.919 4.320 -0.001 0.000 0.260 261 K C 0.490 177.036 176.600 -0.091 0.000 0.951 261 K CA -0.827 55.397 56.287 -0.105 0.000 0.826 261 K CB 1.605 34.042 32.500 -0.106 0.000 1.108 261 K HN 0.013 nan 8.250 nan 0.000 0.433 262 V N 5.332 125.217 119.914 -0.048 0.000 2.540 262 V HA -0.037 4.082 4.120 -0.001 0.000 0.297 262 V C 1.086 177.160 176.094 -0.033 0.000 1.024 262 V CA 0.115 62.411 62.300 -0.007 0.000 1.105 262 V CB 0.863 32.737 31.823 0.085 0.000 0.938 262 V HN 0.752 nan 8.190 nan 0.000 0.482 263 V N 1.607 121.486 119.914 -0.058 0.000 3.528 263 V HA 0.520 4.640 4.120 -0.001 0.000 0.294 263 V C 0.267 176.325 176.094 -0.059 0.000 1.404 263 V CA 0.266 62.528 62.300 -0.063 0.000 1.065 263 V CB -0.364 31.411 31.823 -0.080 0.000 0.904 263 V HN 0.870 nan 8.190 nan 0.000 0.435 264 K N 0.612 120.973 120.400 -0.065 0.000 2.768 264 K HA 0.467 4.787 4.320 -0.001 0.000 0.283 264 K C -1.291 175.212 176.600 -0.162 0.000 1.078 264 K CA 0.519 56.749 56.287 -0.095 0.000 0.920 264 K CB 1.629 34.086 32.500 -0.072 0.000 1.390 264 K HN 0.512 nan 8.250 nan 0.000 0.389 265 S N 0.987 116.526 115.700 -0.268 0.000 2.564 265 S HA 0.828 5.297 4.470 -0.001 0.000 0.274 265 S C -1.369 172.958 174.600 -0.456 0.000 1.124 265 S CA -0.692 57.191 58.200 -0.528 0.000 0.869 265 S CB 2.176 64.858 63.200 -0.865 0.000 1.105 265 S HN 0.282 nan 8.310 nan 0.000 0.472 266 V N 1.451 121.046 119.914 -0.531 0.000 2.808 266 V HA 0.508 4.628 4.120 -0.001 0.000 0.308 266 V C -0.598 175.218 176.094 -0.463 0.000 1.099 266 V CA -0.635 61.430 62.300 -0.393 0.000 0.920 266 V CB 1.783 33.447 31.823 -0.265 0.000 1.014 266 V HN 1.044 nan 8.190 nan 0.000 0.425 267 E N 4.278 124.256 120.200 -0.371 0.000 2.200 267 E HA 0.471 4.820 4.350 -0.001 0.000 0.283 267 E C -0.900 175.542 176.600 -0.263 0.000 1.015 267 E CA -0.577 55.619 56.400 -0.339 0.000 0.819 267 E CB 0.992 30.517 29.700 -0.291 0.000 1.081 267 E HN 0.598 nan 8.360 nan 0.000 0.397 268 L N 4.081 125.113 121.223 -0.319 0.000 2.455 268 L HA 0.076 4.416 4.340 -0.001 0.000 0.272 268 L C 0.385 177.224 176.870 -0.051 0.000 1.174 268 L CA -0.077 54.525 54.840 -0.397 0.000 0.869 268 L CB 0.351 42.111 42.059 -0.498 0.000 1.130 268 L HN 0.624 nan 8.230 nan 0.000 0.474 269 D N 3.497 123.951 120.400 0.091 0.000 2.619 269 D HA 0.286 4.925 4.640 -0.001 0.000 0.224 269 D C -0.015 176.344 176.300 0.098 0.000 1.133 269 D CA -0.116 53.954 54.000 0.117 0.000 1.017 269 D CB 0.506 41.385 40.800 0.131 0.000 1.077 269 D HN 0.515 nan 8.370 nan 0.000 0.503 270 A N 3.964 126.858 122.820 0.122 0.000 3.056 270 A HA 0.388 4.707 4.320 -0.001 0.000 0.328 270 A C -2.413 175.369 177.584 0.331 0.000 1.233 270 A CA -1.251 50.823 52.037 0.061 0.000 0.965 270 A CB 0.253 19.248 19.000 -0.008 0.000 1.123 270 A HN 0.303 nan 8.150 nan 0.000 0.502 271 P HA 0.102 nan 4.420 nan 0.000 0.271 271 P C 0.227 177.811 177.300 0.475 0.000 1.216 271 P CA 0.416 63.731 63.100 0.358 0.000 0.771 271 P CB 1.031 32.874 31.700 0.238 0.000 0.864 272 N N 0.660 119.678 118.700 0.530 0.000 2.980 272 N HA -0.202 4.538 4.740 -0.001 0.000 0.219 272 N C -0.747 175.027 175.510 0.440 0.000 0.883 272 N CA 1.245 54.546 53.050 0.419 0.000 1.018 272 N CB -1.828 36.761 38.487 0.171 0.000 1.041 272 N HN 0.322 nan 8.380 nan 0.000 0.592 273 Y N 0.368 120.905 120.300 0.395 0.000 2.344 273 Y HA 0.614 5.163 4.550 -0.001 0.000 0.330 273 Y C 0.927 177.071 175.900 0.405 0.000 1.330 273 Y CA 0.169 58.465 58.100 0.326 0.000 1.479 273 Y CB 0.706 39.276 38.460 0.184 0.000 1.428 273 Y HN 0.151 nan 8.280 nan 0.000 0.544 274 H N 0.443 119.522 119.070 0.015 0.000 3.184 274 H HA 0.216 4.772 4.556 -0.001 0.000 0.317 274 H C -2.164 172.902 175.328 -0.436 0.000 1.065 274 H CA -0.569 55.475 56.048 -0.008 0.000 1.462 274 H CB 0.398 30.363 29.762 0.337 0.000 2.037 274 H HN 0.630 nan 8.280 nan 0.000 0.431 275 Y N 2.467 122.340 120.300 -0.713 0.000 2.468 275 Y HA 0.532 5.082 4.550 -0.001 0.000 0.342 275 Y C 0.186 175.987 175.900 -0.165 0.000 1.021 275 Y CA -0.499 57.374 58.100 -0.378 0.000 1.079 275 Y CB 2.097 40.305 38.460 -0.419 0.000 1.226 275 Y HN 0.528 nan 8.280 nan 0.000 0.460 276 E N 0.238 120.512 120.200 0.122 0.000 2.401 276 E HA 0.190 4.540 4.350 -0.001 0.000 0.280 276 E C -1.397 175.279 176.600 0.126 0.000 1.039 276 E CA -1.099 55.382 56.400 0.135 0.000 0.814 276 E CB 1.846 31.630 29.700 0.140 0.000 1.275 276 E HN 0.688 nan 8.360 nan 0.000 0.448 277 E N 0.002 120.285 120.200 0.138 0.000 2.149 277 E HA -0.248 4.102 4.350 -0.001 0.000 0.191 277 E C -0.800 175.875 176.600 0.124 0.000 1.384 277 E CA 0.173 56.653 56.400 0.133 0.000 0.698 277 E CB -1.626 28.130 29.700 0.093 0.000 1.086 277 E HN 0.294 nan 8.360 nan 0.000 0.338 278 c N 1.636 120.321 118.600 0.140 0.000 2.629 278 c HA 0.159 4.729 4.570 -0.001 0.000 0.410 278 c C 1.128 175.305 174.090 0.145 0.000 1.339 278 c CA -0.294 56.124 56.329 0.149 0.000 1.810 278 c CB 0.245 42.852 42.510 0.162 0.000 2.549 278 c HN 0.372 nan 8.230 nan 0.000 0.589 279 S N 2.631 118.424 115.700 0.155 0.000 2.420 279 S HA 0.434 4.903 4.470 -0.001 0.000 0.313 279 S C -0.214 174.482 174.600 0.161 0.000 1.079 279 S CA -0.492 57.809 58.200 0.169 0.000 1.104 279 S CB 0.297 63.604 63.200 0.179 0.000 0.969 279 S HN 0.843 nan 8.310 nan 0.000 0.471 280 c N 3.134 121.826 118.600 0.153 0.000 2.562 280 c HA 0.911 5.481 4.570 -0.001 0.000 0.332 280 c C -0.679 173.508 174.090 0.161 0.000 1.201 280 c CA -1.048 55.320 56.329 0.065 0.000 1.803 280 c CB 0.326 42.871 42.510 0.058 0.000 2.328 280 c HN 0.952 nan 8.230 nan 0.000 0.500 281 Y N -0.462 119.865 120.300 0.046 0.000 2.558 281 Y HA 0.707 5.257 4.550 -0.001 0.000 0.333 281 Y C -3.208 172.706 175.900 0.024 0.000 1.125 281 Y CA -2.456 55.698 58.100 0.090 0.000 1.039 281 Y CB 0.600 39.159 38.460 0.165 0.000 1.331 281 Y HN 0.469 nan 8.280 nan 0.000 0.456 282 P HA 0.257 nan 4.420 nan 0.000 0.276 282 P C -1.156 176.249 177.300 0.176 0.000 1.252 282 P CA -0.257 62.889 63.100 0.077 0.000 0.802 282 P CB 1.468 33.232 31.700 0.106 0.000 1.035 283 N N 0.442 119.168 118.700 0.044 0.000 2.905 283 N HA 0.268 5.007 4.740 -0.001 0.000 0.255 283 N C -0.819 174.677 175.510 -0.022 0.000 1.199 283 N CA 0.268 53.348 53.050 0.049 0.000 0.911 283 N CB 0.454 39.000 38.487 0.098 0.000 1.550 283 N HN 0.574 nan 8.380 nan 0.000 0.599 284 A N 2.183 124.997 122.820 -0.010 0.000 2.739 284 A HA 0.063 4.382 4.320 -0.001 0.000 0.296 284 A C 1.435 179.003 177.584 -0.027 0.000 1.488 284 A CA 1.962 53.988 52.037 -0.019 0.000 0.746 284 A CB -2.089 16.892 19.000 -0.032 0.000 1.047 284 A HN 2.116 nan 8.150 nan 0.000 0.477 285 G N -1.898 106.891 108.800 -0.018 0.000 2.168 285 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.263 285 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.263 285 G C -0.161 174.694 174.900 -0.075 0.000 0.977 285 G CA 1.088 46.176 45.100 -0.021 0.000 0.659 285 G HN 1.471 nan 8.290 nan 0.000 0.533 286 E N -0.960 119.165 120.200 -0.125 0.000 2.369 286 E HA 0.674 5.024 4.350 -0.001 0.000 0.270 286 E C -0.918 175.472 176.600 -0.350 0.000 0.909 286 E CA -1.137 55.126 56.400 -0.228 0.000 0.775 286 E CB 1.828 31.417 29.700 -0.186 0.000 1.270 286 E HN 0.089 nan 8.360 nan 0.000 0.445 287 I N 0.846 121.052 120.570 -0.607 0.000 2.460 287 I HA 0.283 4.453 4.170 -0.001 0.000 0.298 287 I C -0.045 175.556 176.117 -0.861 0.000 0.989 287 I CA -0.149 60.683 61.300 -0.780 0.000 1.173 287 I CB 1.887 39.254 38.000 -1.055 0.000 1.338 287 I HN 0.330 nan 8.210 nan 0.000 0.456 288 T N 4.088 118.156 114.554 -0.809 0.000 2.881 288 T HA 0.504 4.854 4.350 -0.001 0.000 0.290 288 T C -1.162 173.231 174.700 -0.510 0.000 1.000 288 T CA -0.381 61.327 62.100 -0.653 0.000 0.978 288 T CB 0.931 69.324 68.868 -0.791 0.000 0.997 288 T HN 0.532 nan 8.240 nan 0.000 0.443 289 c N 3.031 121.558 118.600 -0.122 0.000 2.441 289 c HA 0.741 5.311 4.570 -0.001 0.000 0.318 289 c C 0.005 174.232 174.090 0.228 0.000 1.222 289 c CA -0.839 55.518 56.329 0.047 0.000 1.474 289 c CB 0.842 43.418 42.510 0.110 0.000 2.125 289 c HN 0.697 nan 8.230 nan 0.000 0.479 290 V N 2.981 123.027 119.914 0.219 0.000 2.357 290 V HA 0.481 4.601 4.120 -0.001 0.000 0.284 290 V C 0.222 176.416 176.094 0.166 0.000 1.018 290 V CA -0.047 62.396 62.300 0.240 0.000 0.841 290 V CB 0.852 32.810 31.823 0.225 0.000 0.991 290 V HN 1.167 nan 8.190 nan 0.000 0.437 291 c N 3.898 122.580 118.600 0.137 0.000 3.156 291 c HA 0.744 5.313 4.570 -0.001 0.000 0.376 291 c C 0.238 174.327 174.090 -0.002 0.000 2.688 291 c CA -0.945 55.442 56.329 0.097 0.000 1.735 291 c CB 1.308 43.934 42.510 0.193 0.000 2.823 291 c HN 0.881 nan 8.230 nan 0.000 0.483 292 R N 1.029 121.525 120.500 -0.006 0.000 2.534 292 R HA 0.423 4.763 4.340 -0.001 0.000 0.301 292 R C -1.933 174.380 176.300 0.022 0.000 0.961 292 R CA -0.063 56.021 56.100 -0.027 0.000 0.871 292 R CB 1.209 31.487 30.300 -0.038 0.000 1.170 292 R HN 0.818 nan 8.270 nan 0.000 0.446 293 D N 3.187 123.605 120.400 0.029 0.000 2.473 293 D HA 0.082 4.722 4.640 -0.001 0.000 0.226 293 D C -0.165 176.226 176.300 0.151 0.000 1.089 293 D CA -0.286 53.814 54.000 0.166 0.000 0.883 293 D CB 1.059 41.934 40.800 0.125 0.000 1.029 293 D HN 0.658 nan 8.370 nan 0.000 0.517 294 N N 3.080 121.919 118.700 0.231 0.000 2.467 294 N HA -0.018 4.722 4.740 -0.001 0.000 0.184 294 N C 0.897 176.411 175.510 0.007 0.000 1.106 294 N CA 0.198 53.315 53.050 0.112 0.000 0.892 294 N CB 0.105 38.723 38.487 0.217 0.000 0.969 294 N HN 0.476 nan 8.380 nan 0.000 0.454 295 W N 1.138 122.122 121.300 -0.526 0.000 2.573 295 W HA 0.045 4.704 4.660 -0.000 0.000 0.317 295 W C 0.207 176.577 176.519 -0.248 0.000 1.128 295 W CA 1.756 58.755 57.345 -0.577 0.000 1.407 295 W CB -0.783 28.073 29.460 -1.007 0.000 1.201 295 W HN 0.329 nan 8.180 nan 0.000 0.474 296 H N -1.537 117.417 119.070 -0.192 0.000 3.038 296 H HA 0.575 5.130 4.556 -0.000 0.000 0.223 296 H C -0.451 174.710 175.328 -0.279 0.000 1.400 296 H CA -1.015 54.834 56.048 -0.331 0.000 1.153 296 H CB -0.175 29.191 29.762 -0.661 0.000 2.234 296 H HN 0.115 nan 8.280 nan 0.000 0.541 297 G N -0.437 108.405 108.800 0.069 0.000 2.744 297 G HA2 0.407 4.367 3.960 -0.001 0.000 0.286 297 G HA3 0.407 4.367 3.960 -0.001 0.000 0.286 297 G C 0.012 174.910 174.900 -0.004 0.000 1.497 297 G CA -0.612 44.510 45.100 0.037 0.000 1.070 297 G HN 0.194 nan 8.290 nan 0.000 0.539 298 S N 1.222 116.858 115.700 -0.107 0.000 2.470 298 S HA 0.002 4.472 4.470 -0.001 0.000 0.225 298 S C 1.316 175.895 174.600 -0.035 0.000 1.006 298 S CA 0.083 58.198 58.200 -0.140 0.000 0.934 298 S CB -0.093 62.883 63.200 -0.375 0.000 0.778 298 S HN 0.828 nan 8.310 nan 0.000 0.517 299 N N 1.683 120.407 118.700 0.040 0.000 2.458 299 N HA 0.235 4.974 4.740 -0.001 0.000 0.271 299 N C -0.628 174.941 175.510 0.097 0.000 1.210 299 N CA -0.528 52.610 53.050 0.147 0.000 0.978 299 N CB 0.718 39.334 38.487 0.215 0.000 1.206 299 N HN 0.031 nan 8.380 nan 0.000 0.536 300 R N -0.019 120.491 120.500 0.016 0.000 2.368 300 R HA 0.429 4.769 4.340 -0.001 0.000 0.302 300 R C -2.096 174.011 176.300 -0.322 0.000 1.002 300 R CA -1.485 54.548 56.100 -0.111 0.000 0.929 300 R CB 1.326 31.590 30.300 -0.061 0.000 1.073 300 R HN 0.537 nan 8.270 nan 0.000 0.464 301 P HA 0.214 nan 4.420 nan 0.000 0.282 301 P C -0.942 176.190 177.300 -0.281 0.000 1.259 301 P CA -0.372 62.017 63.100 -1.185 0.000 0.826 301 P CB 0.953 31.600 31.700 -1.755 0.000 1.064 302 W N 0.241 121.503 121.300 -0.064 0.000 3.031 302 W HA 0.656 5.315 4.660 -0.001 0.000 0.337 302 W C -2.394 174.326 176.519 0.335 0.000 1.187 302 W CA -1.251 56.207 57.345 0.189 0.000 1.166 302 W CB 0.892 30.439 29.460 0.145 0.000 1.437 302 W HN -0.015 nan 8.180 nan 0.000 0.551 303 V N 2.357 122.627 119.914 0.592 0.000 2.733 303 V HA 0.449 4.568 4.120 -0.001 0.000 0.306 303 V C -0.238 176.103 176.094 0.412 0.000 1.084 303 V CA -0.673 61.867 62.300 0.399 0.000 0.905 303 V CB 1.573 33.432 31.823 0.061 0.000 1.010 303 V HN 0.650 nan 8.190 nan 0.000 0.424 304 S N 3.988 119.967 115.700 0.464 0.000 2.542 304 S HA 0.997 5.466 4.470 -0.001 0.000 0.293 304 S C -0.988 173.718 174.600 0.176 0.000 1.089 304 S CA -0.668 57.587 58.200 0.092 0.000 0.961 304 S CB 2.250 65.534 63.200 0.141 0.000 1.062 304 S HN 1.126 nan 8.310 nan 0.000 0.483 305 F N -0.782 119.182 119.950 0.023 0.000 2.693 305 F HA 0.702 5.228 4.527 -0.001 0.000 0.309 305 F C -0.782 174.950 175.800 -0.113 0.000 1.129 305 F CA -1.208 56.794 58.000 0.005 0.000 0.948 305 F CB 0.408 39.428 39.000 0.033 0.000 1.315 305 F HN 0.646 nan 8.300 nan 0.000 0.447 309 N N 0.772 119.564 118.700 0.152 0.000 2.338 309 N HA 0.160 4.900 4.740 -0.001 0.000 0.251 309 N C -0.139 175.423 175.510 0.087 0.000 1.199 309 N CA 0.108 53.226 53.050 0.112 0.000 0.879 309 N CB 1.030 39.557 38.487 0.067 0.000 1.159 309 N HN 0.058 nan 8.380 nan 0.000 0.514 310 L N 0.529 121.816 121.223 0.105 0.000 4.179 310 L HA -0.265 4.075 4.340 -0.001 0.000 0.418 310 L C -0.144 176.792 176.870 0.110 0.000 1.168 310 L CA 1.051 55.896 54.840 0.008 0.000 0.972 310 L CB -2.001 40.001 42.059 -0.094 0.000 2.005 310 L HN 0.250 nan 8.230 nan 0.000 0.935 311 E N -0.354 119.925 120.200 0.133 0.000 2.259 311 E HA 0.479 4.829 4.350 -0.001 0.000 0.281 311 E C -0.115 176.600 176.600 0.191 0.000 1.037 311 E CA -0.221 56.238 56.400 0.098 0.000 0.854 311 E CB 0.711 30.431 29.700 0.034 0.000 1.051 311 E HN 0.391 nan 8.360 nan 0.000 0.409 312 Y N -0.121 120.221 120.300 0.071 0.000 2.698 312 Y HA 0.574 5.123 4.550 -0.001 0.000 0.332 312 Y C -0.752 175.215 175.900 0.111 0.000 1.119 312 Y CA -1.185 56.997 58.100 0.136 0.000 1.109 312 Y CB 1.372 39.912 38.460 0.133 0.000 1.308 312 Y HN 0.294 nan 8.280 nan 0.000 0.499 313 Q N 1.629 121.620 119.800 0.318 0.000 2.416 313 Q HA 0.712 5.052 4.340 -0.001 0.000 0.281 313 Q C -1.424 174.733 176.000 0.261 0.000 1.067 313 Q CA -1.097 54.850 55.803 0.241 0.000 0.809 313 Q CB 3.620 32.577 28.738 0.365 0.000 1.418 313 Q HN 0.829 nan 8.270 nan 0.000 0.411 314 I N -2.815 117.697 120.570 -0.096 0.000 2.994 314 I HA 0.994 5.163 4.170 -0.001 0.000 0.306 314 I C -0.460 175.150 176.117 -0.844 0.000 1.195 314 I CA -0.775 60.207 61.300 -0.531 0.000 1.001 314 I CB 2.496 40.303 38.000 -0.322 0.000 1.244 314 I HN 0.713 nan 8.210 nan 0.000 0.437 315 G N 2.003 110.037 108.800 -1.278 0.000 2.427 315 G HA2 0.535 4.494 3.960 -0.001 0.000 0.306 315 G HA3 0.535 4.494 3.960 -0.001 0.000 0.306 315 G C -2.553 171.918 174.900 -0.716 0.000 1.280 315 G CA -0.566 44.118 45.100 -0.694 0.000 0.837 315 G HN 0.594 nan 8.290 nan 0.000 0.482 316 Y N -0.662 119.415 120.300 -0.372 0.000 2.545 316 Y HA 0.602 5.151 4.550 -0.000 0.000 0.348 316 Y C 0.608 176.494 175.900 -0.024 0.000 1.002 316 Y CA -0.860 57.118 58.100 -0.203 0.000 1.039 316 Y CB 2.017 40.320 38.460 -0.262 0.000 1.271 316 Y HN 0.426 nan 8.280 nan 0.000 0.467 317 I N 2.854 123.445 120.570 0.036 0.000 2.505 317 I HA -0.076 4.094 4.170 -0.001 0.000 0.287 317 I C 0.432 176.504 176.117 -0.074 0.000 1.104 317 I CA 0.123 61.291 61.300 -0.220 0.000 1.387 317 I CB 0.333 38.214 38.000 -0.199 0.000 1.404 317 I HN 0.785 nan 8.210 nan 0.000 0.528 318 c N 2.995 121.532 118.600 -0.106 0.000 2.456 318 c HA -0.050 4.520 4.570 -0.001 0.000 0.279 318 c C 1.774 175.828 174.090 -0.060 0.000 1.427 318 c CA -0.225 56.077 56.329 -0.045 0.000 1.778 318 c CB -1.276 41.214 42.510 -0.034 0.000 1.842 318 c HN 0.862 nan 8.230 nan 0.000 0.531 319 S N 1.332 116.971 115.700 -0.102 0.000 2.561 319 S HA 0.251 4.721 4.470 -0.001 0.000 0.294 319 S C 1.347 175.775 174.600 -0.286 0.000 1.294 319 S CA 0.506 58.608 58.200 -0.164 0.000 1.055 319 S CB 0.550 63.644 63.200 -0.177 0.000 0.819 319 S HN 0.627 nan 8.310 nan 0.000 0.503 320 G N 3.109 111.684 108.800 -0.375 0.000 2.848 320 G HA2 0.135 4.095 3.960 -0.001 0.000 0.208 320 G HA3 0.135 4.095 3.960 -0.001 0.000 0.208 320 G C 0.107 174.351 174.900 -1.093 0.000 1.152 320 G CA -0.036 44.631 45.100 -0.721 0.000 0.789 320 G HN 0.651 nan 8.290 nan 0.000 0.531 321 V N 2.363 121.864 119.914 -0.689 0.000 2.258 321 V HA 0.295 4.415 4.120 -0.001 0.000 0.258 321 V C -0.298 175.516 176.094 -0.467 0.000 1.121 321 V CA -1.003 60.959 62.300 -0.563 0.000 0.942 321 V CB -0.646 30.910 31.823 -0.444 0.000 1.170 321 V HN 0.213 nan 8.190 nan 0.000 0.487 322 F N 2.109 121.983 119.950 -0.125 0.000 2.538 322 F HA 0.306 4.832 4.527 -0.001 0.000 0.371 322 F C 1.629 177.348 175.800 -0.134 0.000 1.087 322 F CA 0.268 58.202 58.000 -0.110 0.000 1.250 322 F CB 0.726 39.675 39.000 -0.084 0.000 1.110 322 F HN 0.482 nan 8.300 nan 0.000 0.570 323 G N 1.235 110.060 108.800 0.042 0.000 2.744 323 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.211 323 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.211 323 G C 0.242 175.112 174.900 -0.050 0.000 1.146 323 G CA -0.008 45.053 45.100 -0.065 0.000 0.787 323 G HN 0.527 nan 8.290 nan 0.000 0.534 324 D N 0.168 120.564 120.400 -0.007 0.000 2.398 324 D HA 0.216 4.856 4.640 -0.001 0.000 0.247 324 D C -0.511 175.781 176.300 -0.014 0.000 1.227 324 D CA -0.378 53.605 54.000 -0.027 0.000 0.980 324 D CB 0.710 41.492 40.800 -0.031 0.000 1.106 324 D HN 0.071 nan 8.370 nan 0.000 0.493 325 N N 0.615 119.299 118.700 -0.025 0.000 2.503 325 N HA 0.229 4.969 4.740 -0.001 0.000 0.287 325 N C -3.041 172.470 175.510 0.002 0.000 1.096 325 N CA -1.255 51.803 53.050 0.014 0.000 0.936 325 N CB 2.547 41.063 38.487 0.048 0.000 1.570 325 N HN 0.120 nan 8.380 nan 0.000 0.504 326 P HA 0.295 nan 4.420 nan 0.000 0.274 326 P C -0.809 176.505 177.300 0.022 0.000 1.256 326 P CA -0.022 63.127 63.100 0.081 0.000 0.795 326 P CB 1.393 33.167 31.700 0.123 0.000 1.038 327 R N -0.786 119.718 120.500 0.007 0.000 2.747 327 R HA 0.680 5.020 4.340 -0.001 0.000 0.272 327 R C -3.050 173.222 176.300 -0.047 0.000 1.032 327 R CA -1.920 54.148 56.100 -0.052 0.000 0.896 327 R CB 0.613 30.918 30.300 0.007 0.000 1.253 327 R HN 0.196 nan 8.270 nan 0.000 0.461 328 P HA 0.211 nan 4.420 nan 0.000 0.285 328 P C -0.988 176.388 177.300 0.126 0.000 1.280 328 P CA -0.692 62.379 63.100 -0.049 0.000 0.862 328 P CB 0.815 32.407 31.700 -0.180 0.000 1.153 329 N N 0.678 119.446 118.700 0.113 0.000 2.329 329 N HA -0.016 4.724 4.740 -0.001 0.000 0.237 329 N C -0.055 175.603 175.510 0.246 0.000 1.258 329 N CA 0.531 53.662 53.050 0.134 0.000 0.866 329 N CB -0.102 38.431 38.487 0.077 0.000 1.102 329 N HN 0.371 nan 8.380 nan 0.000 0.440 330 D N 0.894 121.366 120.400 0.120 0.000 2.357 330 D HA 0.101 4.740 4.640 -0.001 0.000 0.265 330 D C 1.017 177.308 176.300 -0.014 0.000 1.334 330 D CA 0.238 54.205 54.000 -0.055 0.000 0.984 330 D CB 0.175 40.862 40.800 -0.188 0.000 1.077 330 D HN 0.551 nan 8.370 nan 0.000 0.514 331 G N 1.492 110.366 108.800 0.123 0.000 3.198 331 G HA2 0.199 4.159 3.960 -0.001 0.000 0.203 331 G HA3 0.199 4.159 3.960 -0.001 0.000 0.203 331 G C -0.145 174.772 174.900 0.028 0.000 1.950 331 G CA -0.109 45.049 45.100 0.097 0.000 0.798 331 G HN 0.329 nan 8.290 nan 0.000 0.720 332 T N 0.380 115.014 114.554 0.133 0.000 2.792 332 T HA 0.620 4.970 4.350 -0.001 0.000 0.280 332 T C 0.274 175.087 174.700 0.189 0.000 0.990 332 T CA 0.002 62.145 62.100 0.071 0.000 0.960 332 T CB 1.422 70.312 68.868 0.035 0.000 0.939 332 T HN 0.596 nan 8.240 nan 0.000 0.439 340 P HA -0.149 nan 4.420 nan 0.000 0.249 340 P C 0.428 177.386 177.300 -0.570 0.000 1.084 340 P CA 0.360 62.845 63.100 -1.024 0.000 0.773 340 P CB 0.215 31.324 31.700 -0.984 0.000 0.666 341 V N 3.909 123.600 119.914 -0.372 0.000 2.372 341 V HA 0.007 4.127 4.120 -0.001 0.000 0.261 341 V C 2.055 177.951 176.094 -0.331 0.000 1.055 341 V CA 0.764 62.859 62.300 -0.342 0.000 0.930 341 V CB 0.252 31.836 31.823 -0.398 0.000 1.031 341 V HN 0.655 nan 8.190 nan 0.000 0.479 342 S N 3.121 118.620 115.700 -0.334 0.000 2.402 342 S HA -0.107 4.363 4.470 -0.001 0.000 0.229 342 S C 1.248 175.727 174.600 -0.201 0.000 1.021 342 S CA 0.670 58.705 58.200 -0.276 0.000 0.974 342 S CB -0.425 62.594 63.200 -0.301 0.000 0.800 342 S HN 0.852 nan 8.310 nan 0.000 0.484 343 S N 3.112 118.680 115.700 -0.221 0.000 2.711 343 S HA 0.226 4.696 4.470 -0.001 0.000 0.335 343 S C 0.559 175.052 174.600 -0.178 0.000 1.175 343 S CA -0.017 58.072 58.200 -0.185 0.000 1.372 343 S CB -0.626 62.460 63.200 -0.190 0.000 1.337 343 S HN 0.546 nan 8.310 nan 0.000 0.572 344 N N 1.787 120.422 118.700 -0.109 0.000 2.984 344 N HA -0.139 4.601 4.740 -0.001 0.000 0.227 344 N C 0.544 176.023 175.510 -0.052 0.000 0.903 344 N CA 1.286 54.296 53.050 -0.068 0.000 0.995 344 N CB -1.475 36.965 38.487 -0.078 0.000 1.065 344 N HN 0.856 nan 8.380 nan 0.000 0.585 345 G N -0.244 108.504 108.800 -0.086 0.000 3.562 345 G HA2 0.523 4.483 3.960 -0.001 0.000 0.279 345 G HA3 0.523 4.483 3.960 -0.001 0.000 0.279 345 G C 1.060 175.968 174.900 0.014 0.000 1.314 345 G CA 0.604 45.672 45.100 -0.054 0.000 1.189 345 G HN 0.471 nan 8.290 nan 0.000 0.562 346 A N -0.532 122.321 122.820 0.055 0.000 2.251 346 A HA 0.489 4.808 4.320 -0.001 0.000 0.209 346 A C 0.573 178.275 177.584 0.196 0.000 1.187 346 A CA 0.299 52.398 52.037 0.104 0.000 0.823 346 A CB -0.052 18.997 19.000 0.082 0.000 0.846 346 A HN 0.551 nan 8.150 nan 0.000 0.486 347 Y N -1.807 118.509 120.300 0.027 0.000 3.116 347 Y HA 0.553 5.103 4.550 -0.001 0.000 0.246 347 Y C 0.335 176.265 175.900 0.049 0.000 2.345 347 Y CA -0.267 57.859 58.100 0.043 0.000 0.907 347 Y CB 0.232 38.718 38.460 0.044 0.000 1.811 347 Y HN 0.544 nan 8.280 nan 0.000 0.461 348 G N 0.342 108.661 108.800 -0.801 0.000 2.359 348 G HA2 0.450 4.410 3.960 -0.001 0.000 0.293 348 G HA3 0.450 4.410 3.960 -0.001 0.000 0.293 348 G C -2.463 172.042 174.900 -0.659 0.000 1.300 348 G CA -0.089 44.684 45.100 -0.544 0.000 0.888 348 G HN 1.196 nan 8.290 nan 0.000 0.541 349 V N -0.330 119.378 119.914 -0.343 0.000 3.087 349 V HA 0.754 4.874 4.120 -0.001 0.000 0.306 349 V C -0.223 175.658 176.094 -0.356 0.000 1.187 349 V CA -0.778 61.330 62.300 -0.320 0.000 0.999 349 V CB 1.932 33.692 31.823 -0.105 0.000 1.049 349 V HN 1.097 nan 8.190 nan 0.000 0.431 350 K N 3.015 122.992 120.400 -0.705 0.000 2.412 350 K HA 0.596 4.916 4.320 -0.001 0.000 0.281 350 K C 0.028 176.534 176.600 -0.156 0.000 1.027 350 K CA 0.842 56.857 56.287 -0.453 0.000 0.989 350 K CB 0.740 32.875 32.500 -0.609 0.000 0.935 350 K HN 1.023 nan 8.250 nan 0.000 0.475 351 G N 2.451 111.232 108.800 -0.032 0.000 2.870 351 G HA2 0.678 4.638 3.960 -0.001 0.000 0.299 351 G HA3 0.678 4.638 3.960 -0.001 0.000 0.299 351 G C -1.548 173.452 174.900 0.167 0.000 1.324 351 G CA -0.809 44.334 45.100 0.073 0.000 0.808 351 G HN 0.645 nan 8.290 nan 0.000 0.535 352 F N -2.349 117.551 119.950 -0.082 0.000 2.831 352 F HA 0.885 5.412 4.527 -0.000 0.000 0.318 352 F C -0.734 175.021 175.800 -0.076 0.000 1.174 352 F CA -1.596 56.343 58.000 -0.101 0.000 0.918 352 F CB 1.514 40.393 39.000 -0.201 0.000 1.364 352 F HN 0.648 nan 8.300 nan 0.000 0.475 353 S N 0.184 115.779 115.700 -0.175 0.000 2.579 353 S HA 0.563 5.033 4.470 -0.001 0.000 0.290 353 S C -1.945 172.719 174.600 0.106 0.000 1.123 353 S CA -0.617 57.527 58.200 -0.093 0.000 0.894 353 S CB 0.947 64.187 63.200 0.066 0.000 1.095 353 S HN 0.591 nan 8.310 nan 0.000 0.450 354 F N 2.663 122.866 119.950 0.421 0.000 2.415 354 F HA 0.492 5.018 4.527 -0.001 0.000 0.348 354 F C 0.525 176.555 175.800 0.384 0.000 1.119 354 F CA -0.543 57.672 58.000 0.358 0.000 1.069 354 F CB 1.244 40.503 39.000 0.431 0.000 1.124 354 F HN 0.329 nan 8.300 nan 0.000 0.472 355 K N 4.309 124.843 120.400 0.224 0.000 2.211 355 K HA 0.351 4.671 4.320 -0.001 0.000 0.275 355 K C -1.948 174.570 176.600 -0.135 0.000 1.024 355 K CA -0.431 55.757 56.287 -0.165 0.000 0.887 355 K CB 0.634 32.420 32.500 -1.191 0.000 1.084 355 K HN 0.626 nan 8.250 nan 0.000 0.463 356 Y N 3.291 123.637 120.300 0.076 0.000 2.363 356 Y HA 0.264 4.813 4.550 -0.001 0.000 0.325 356 Y C 0.933 176.864 175.900 0.052 0.000 0.984 356 Y CA 0.448 58.618 58.100 0.117 0.000 1.248 356 Y CB 1.744 40.368 38.460 0.273 0.000 1.116 356 Y HN 1.069 nan 8.280 nan 0.000 0.470 357 G N 2.938 111.759 108.800 0.036 0.000 2.622 357 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.307 357 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.307 357 G C 0.842 175.704 174.900 -0.063 0.000 1.226 357 G CA 0.769 45.871 45.100 0.003 0.000 0.997 357 G HN 0.605 nan 8.290 nan 0.000 0.551 358 N N 2.519 121.228 118.700 0.014 0.000 2.270 358 N HA 0.267 5.006 4.740 -0.001 0.000 0.198 358 N C 0.886 176.421 175.510 0.042 0.000 1.117 358 N CA 0.946 54.019 53.050 0.039 0.000 0.845 358 N CB 0.637 39.158 38.487 0.056 0.000 0.980 358 N HN 0.804 nan 8.380 nan 0.000 0.486 359 G N 0.145 108.954 108.800 0.014 0.000 2.462 359 G HA2 0.566 4.526 3.960 -0.001 0.000 0.319 359 G HA3 0.566 4.526 3.960 -0.001 0.000 0.319 359 G C -0.504 174.389 174.900 -0.012 0.000 1.171 359 G CA -0.299 44.662 45.100 -0.232 0.000 0.920 359 G HN -0.052 nan 8.290 nan 0.000 0.499 360 V N -1.739 118.048 119.914 -0.212 0.000 2.888 360 V HA 0.509 4.629 4.120 -0.001 0.000 0.309 360 V C -1.502 174.779 176.094 0.311 0.000 1.114 360 V CA -1.155 61.291 62.300 0.244 0.000 0.940 360 V CB 1.994 33.984 31.823 0.279 0.000 1.021 360 V HN 0.796 nan 8.190 nan 0.000 0.426 361 W N 3.657 125.327 121.300 0.616 0.000 2.283 361 W HA 0.730 5.390 4.660 -0.000 0.000 0.317 361 W C -0.301 176.337 176.519 0.198 0.000 1.042 361 W CA -0.287 57.401 57.345 0.572 0.000 1.348 361 W CB 1.378 31.307 29.460 0.781 0.000 1.216 361 W HN 0.457 nan 8.180 nan 0.000 0.404 362 I N 4.015 124.728 120.570 0.239 0.000 2.359 362 I HA 0.479 4.649 4.170 -0.001 0.000 0.294 362 I C 0.860 176.770 176.117 -0.344 0.000 0.987 362 I CA -0.558 60.671 61.300 -0.118 0.000 1.225 362 I CB 1.118 39.018 38.000 -0.166 0.000 1.366 362 I HN 0.403 nan 8.210 nan 0.000 0.466 363 G N 6.010 114.371 108.800 -0.731 0.000 2.416 363 G HA2 0.783 4.743 3.960 -0.001 0.000 0.324 363 G HA3 0.783 4.743 3.960 -0.001 0.000 0.324 363 G C -0.773 173.670 174.900 -0.761 0.000 1.194 363 G CA -0.528 44.052 45.100 -0.867 0.000 0.922 363 G HN 0.782 nan 8.290 nan 0.000 0.467 364 R N -0.239 119.545 120.500 -1.193 0.000 2.728 364 R HA 0.656 4.995 4.340 -0.001 0.000 0.274 364 R C -0.323 175.487 176.300 -0.817 0.000 1.030 364 R CA -0.898 54.764 56.100 -0.730 0.000 0.876 364 R CB 0.326 30.388 30.300 -0.396 0.000 1.259 364 R HN 0.548 nan 8.270 nan 0.000 0.468 365 T N -1.045 113.379 114.554 -0.217 0.000 2.860 365 T HA 0.234 4.584 4.350 -0.001 0.000 0.299 365 T C 0.646 175.290 174.700 -0.094 0.000 1.045 365 T CA -0.681 61.411 62.100 -0.013 0.000 1.071 365 T CB 1.170 70.114 68.868 0.127 0.000 0.985 365 T HN 0.672 nan 8.240 nan 0.000 0.537 366 K N 0.482 120.866 120.400 -0.027 0.000 2.243 366 K HA 0.098 4.418 4.320 -0.001 0.000 0.201 366 K C 1.430 178.026 176.600 -0.006 0.000 1.051 366 K CA 0.170 56.435 56.287 -0.037 0.000 0.970 366 K CB 0.051 32.547 32.500 -0.007 0.000 0.755 366 K HN 0.550 nan 8.250 nan 0.000 0.465 367 S N 0.667 116.383 115.700 0.027 0.000 2.603 367 S HA 0.037 4.506 4.470 -0.001 0.000 0.268 367 S C 1.085 175.713 174.600 0.047 0.000 1.317 367 S CA -0.300 57.925 58.200 0.042 0.000 1.012 367 S CB 0.987 64.230 63.200 0.071 0.000 0.926 367 S HN 0.368 nan 8.310 nan 0.000 0.539 368 T N 0.564 115.148 114.554 0.050 0.000 3.023 368 T HA 0.305 4.655 4.350 -0.001 0.000 0.253 368 T C 0.717 175.457 174.700 0.067 0.000 1.038 368 T CA -0.223 61.908 62.100 0.052 0.000 0.962 368 T CB -0.110 68.785 68.868 0.045 0.000 1.018 368 T HN 0.562 nan 8.240 nan 0.000 0.521 369 N N 0.523 119.274 118.700 0.085 0.000 2.380 369 N HA 0.230 4.970 4.740 -0.001 0.000 0.227 369 N C -0.104 175.498 175.510 0.154 0.000 1.139 369 N CA 0.018 53.132 53.050 0.107 0.000 0.843 369 N CB 1.144 39.684 38.487 0.088 0.000 1.327 369 N HN 0.242 nan 8.380 nan 0.000 0.470 370 S N 0.233 116.035 115.700 0.170 0.000 2.664 370 S HA 0.440 4.909 4.470 -0.001 0.000 0.304 370 S C 0.325 175.087 174.600 0.269 0.000 1.099 370 S CA -0.652 57.700 58.200 0.254 0.000 1.003 370 S CB 2.229 65.624 63.200 0.326 0.000 1.092 370 S HN 0.045 nan 8.310 nan 0.000 0.525 371 R N 1.757 122.469 120.500 0.353 0.000 4.518 371 R HA 0.224 4.564 4.340 -0.001 0.000 0.243 371 R C -0.388 176.184 176.300 0.453 0.000 1.720 371 R CA -0.155 56.157 56.100 0.353 0.000 1.526 371 R CB -0.339 30.157 30.300 0.327 0.000 1.425 371 R HN 0.586 nan 8.270 nan 0.000 0.787 372 S N -0.716 115.183 115.700 0.332 0.000 2.503 372 S HA 0.785 5.254 4.470 -0.001 0.000 0.301 372 S C 0.342 175.029 174.600 0.145 0.000 1.087 372 S CA -0.467 57.851 58.200 0.197 0.000 1.042 372 S CB 2.310 65.461 63.200 -0.081 0.000 1.043 372 S HN 0.533 nan 8.310 nan 0.000 0.489 373 G N 0.785 109.672 108.800 0.145 0.000 2.819 373 G HA2 0.096 4.056 3.960 -0.001 0.000 0.682 373 G HA3 0.096 4.056 3.960 -0.001 0.000 0.682 373 G C -1.089 173.987 174.900 0.294 0.000 1.481 373 G CA -0.330 44.868 45.100 0.163 0.000 0.904 373 G HN 1.343 nan 8.290 nan 0.000 0.563 374 F N 0.634 120.639 119.950 0.091 0.000 2.678 374 F HA 0.668 5.194 4.527 -0.000 0.000 0.308 374 F C -0.590 175.242 175.800 0.054 0.000 1.118 374 F CA 0.047 58.094 58.000 0.078 0.000 0.959 374 F CB 1.978 41.058 39.000 0.133 0.000 1.305 374 F HN 1.069 nan 8.300 nan 0.000 0.443 375 E N 4.309 124.184 120.200 -0.542 0.000 2.378 375 E HA 0.423 4.772 4.350 -0.001 0.000 0.283 375 E C -1.981 174.389 176.600 -0.383 0.000 0.979 375 E CA -1.150 55.100 56.400 -0.250 0.000 0.795 375 E CB 1.954 31.567 29.700 -0.144 0.000 1.221 375 E HN 0.347 nan 8.360 nan 0.000 0.428 376 M N 2.778 122.322 119.600 -0.093 0.000 2.157 376 M HA 0.490 4.970 4.480 -0.001 0.000 0.354 376 M C -0.698 175.782 176.300 0.300 0.000 1.170 376 M CA -0.601 54.708 55.300 0.015 0.000 1.060 376 M CB 0.482 33.093 32.600 0.018 0.000 1.615 376 M HN 0.622 nan 8.290 nan 0.000 0.460 377 I N 2.604 123.319 120.570 0.241 0.000 2.465 377 I HA 0.346 4.516 4.170 -0.001 0.000 0.291 377 I C -0.922 175.265 176.117 0.117 0.000 1.014 377 I CA -0.559 60.799 61.300 0.096 0.000 1.093 377 I CB 2.243 40.011 38.000 -0.385 0.000 1.267 377 I HN 0.717 nan 8.210 nan 0.000 0.431 378 W N 7.764 128.894 121.300 -0.284 0.000 2.282 378 W HA 0.325 4.985 4.660 -0.000 0.000 0.322 378 W C -1.158 175.202 176.519 -0.266 0.000 1.011 378 W CA -0.462 56.433 57.345 -0.750 0.000 1.392 378 W CB 1.230 29.855 29.460 -1.392 0.000 1.215 378 W HN 0.484 nan 8.180 nan 0.000 0.394 379 D N 9.431 129.370 120.400 -0.768 0.000 2.473 379 D HA 0.275 4.915 4.640 -0.001 0.000 0.226 379 D C -2.134 173.530 176.300 -1.060 0.000 1.089 379 D CA -2.264 51.337 54.000 -0.665 0.000 0.883 379 D CB 1.415 42.019 40.800 -0.326 0.000 1.029 379 D HN 0.083 nan 8.370 nan 0.000 0.517 380 P HA 0.039 nan 4.420 nan 0.000 0.269 380 P C -0.410 176.630 177.300 -0.433 0.000 1.215 380 P CA -0.233 62.305 63.100 -0.936 0.000 0.780 380 P CB 0.470 31.880 31.700 -0.483 0.000 0.898 381 N N 0.618 119.172 118.700 -0.243 0.000 2.666 381 N HA -0.179 4.561 4.740 -0.001 0.000 0.274 381 N C 0.834 176.271 175.510 -0.122 0.000 1.043 381 N CA 1.416 54.401 53.050 -0.109 0.000 0.782 381 N CB -1.631 36.810 38.487 -0.075 0.000 0.912 381 N HN 0.837 nan 8.380 nan 0.000 0.556 382 G N -1.679 107.057 108.800 -0.107 0.000 3.873 382 G HA2 0.006 3.966 3.960 -0.001 0.000 0.232 382 G HA3 0.006 3.966 3.960 -0.001 0.000 0.232 382 G C 0.624 175.531 174.900 0.012 0.000 1.097 382 G CA -0.120 44.922 45.100 -0.095 0.000 0.889 382 G HN 0.482 nan 8.290 nan 0.000 0.532 383 W N 2.285 123.519 121.300 -0.110 0.000 2.812 383 W HA 0.081 4.741 4.660 -0.000 0.000 0.263 383 W C 1.304 177.818 176.519 -0.009 0.000 1.284 383 W CA 1.591 58.896 57.345 -0.066 0.000 1.430 383 W CB 0.346 29.751 29.460 -0.092 0.000 1.088 383 W HN 0.195 nan 8.180 nan 0.000 0.623 384 T N -2.468 112.190 114.554 0.174 0.000 2.959 384 T HA 0.159 4.509 4.350 -0.001 0.000 0.254 384 T C 0.286 175.016 174.700 0.050 0.000 1.003 384 T CA 0.030 62.204 62.100 0.125 0.000 0.950 384 T CB 0.461 69.439 68.868 0.183 0.000 1.090 384 T HN -0.248 nan 8.240 nan 0.000 0.503 385 E N 1.969 122.181 120.200 0.020 0.000 2.232 385 E HA 0.499 4.849 4.350 -0.001 0.000 0.265 385 E C -0.881 175.696 176.600 -0.038 0.000 1.001 385 E CA -0.473 55.921 56.400 -0.010 0.000 0.870 385 E CB 1.611 31.297 29.700 -0.022 0.000 1.175 385 E HN 0.114 nan 8.360 nan 0.000 0.407 386 T N 2.334 116.864 114.554 -0.040 0.000 2.770 386 T HA 0.417 4.767 4.350 -0.001 0.000 0.297 386 T C -0.531 174.128 174.700 -0.070 0.000 0.997 386 T CA -0.604 61.463 62.100 -0.055 0.000 0.949 386 T CB 0.630 69.477 68.868 -0.035 0.000 0.941 386 T HN 0.228 nan 8.240 nan 0.000 0.457 387 D N 1.059 121.396 120.400 -0.105 0.000 3.402 387 D HA 0.552 5.192 4.640 -0.001 0.000 0.287 387 D C 0.463 176.680 176.300 -0.138 0.000 1.365 387 D CA -0.541 53.399 54.000 -0.099 0.000 1.012 387 D CB 1.226 41.975 40.800 -0.084 0.000 1.325 387 D HN 0.369 nan 8.370 nan 0.000 0.627 388 S N -1.061 114.581 115.700 -0.098 0.000 2.290 388 S HA 0.049 4.519 4.470 -0.001 0.000 0.266 388 S C 0.036 174.671 174.600 0.058 0.000 0.995 388 S CA -0.269 57.877 58.200 -0.090 0.000 1.482 388 S CB 0.542 63.701 63.200 -0.067 0.000 1.176 388 S HN 0.433 nan 8.310 nan 0.000 0.599 389 S N 2.492 118.214 115.700 0.037 0.000 2.554 389 S HA 0.843 5.312 4.470 -0.001 0.000 0.278 389 S C -0.415 174.247 174.600 0.103 0.000 1.242 389 S CA -0.670 57.559 58.200 0.048 0.000 1.051 389 S CB 0.630 63.791 63.200 -0.066 0.000 0.986 389 S HN 0.455 nan 8.310 nan 0.000 0.502 390 F N -0.777 119.076 119.950 -0.161 0.000 2.715 390 F HA 0.732 5.258 4.527 -0.001 0.000 0.318 390 F C 0.772 176.485 175.800 -0.145 0.000 1.141 390 F CA -0.745 57.125 58.000 -0.217 0.000 0.950 390 F CB 1.003 39.870 39.000 -0.222 0.000 1.374 390 F HN 0.512 nan 8.300 nan 0.000 0.477 391 S N -0.735 114.857 115.700 -0.180 0.000 2.497 391 S HA 0.471 4.941 4.470 -0.001 0.000 0.221 391 S C 0.081 174.661 174.600 -0.033 0.000 1.037 391 S CA 0.350 58.460 58.200 -0.149 0.000 0.920 391 S CB 0.167 63.373 63.200 0.010 0.000 0.800 391 S HN 0.488 nan 8.310 nan 0.000 0.505 395 Q N 4.237 124.249 119.800 0.354 0.000 2.339 395 Q HA 0.223 4.563 4.340 -0.001 0.000 0.268 395 Q C -1.036 175.123 176.000 0.265 0.000 1.027 395 Q CA -0.704 55.298 55.803 0.332 0.000 0.759 395 Q CB 1.116 30.110 28.738 0.425 0.000 1.244 395 Q HN 0.481 nan 8.270 nan 0.000 0.464 396 D N 4.172 124.721 120.400 0.248 0.000 2.443 396 D HA 0.084 4.723 4.640 -0.001 0.000 0.239 396 D C 0.660 177.156 176.300 0.326 0.000 1.136 396 D CA 0.478 54.616 54.000 0.229 0.000 0.879 396 D CB 1.235 42.153 40.800 0.197 0.000 1.195 396 D HN 0.636 nan 8.370 nan 0.000 0.443 397 I N 0.123 120.894 120.570 0.335 0.000 4.228 397 I HA 0.011 4.181 4.170 -0.001 0.000 0.298 397 I C -0.099 176.319 176.117 0.502 0.000 1.206 397 I CA 0.258 61.840 61.300 0.471 0.000 1.322 397 I CB 0.865 39.066 38.000 0.335 0.000 1.411 397 I HN 0.065 nan 8.210 nan 0.000 0.454 398 V N 1.439 121.574 119.914 0.368 0.000 2.686 398 V HA 0.633 4.753 4.120 -0.001 0.000 0.306 398 V C -0.172 176.015 176.094 0.155 0.000 1.065 398 V CA -1.076 61.386 62.300 0.271 0.000 0.894 398 V CB 1.722 33.741 31.823 0.326 0.000 1.004 398 V HN 0.177 nan 8.190 nan 0.000 0.424 399 A N 3.856 126.710 122.820 0.058 0.000 2.407 399 A HA 0.543 4.862 4.320 -0.001 0.000 0.248 399 A C 1.090 178.673 177.584 -0.003 0.000 1.082 399 A CA -0.192 51.852 52.037 0.011 0.000 0.785 399 A CB 0.022 18.995 19.000 -0.045 0.000 1.020 399 A HN 0.871 nan 8.150 nan 0.000 0.489 400 I N 1.203 121.764 120.570 -0.015 0.000 2.657 400 I HA -0.215 3.955 4.170 -0.001 0.000 0.261 400 I C 2.226 178.264 176.117 -0.131 0.000 1.212 400 I CA 1.740 63.013 61.300 -0.044 0.000 1.453 400 I CB -0.692 37.288 38.000 -0.033 0.000 1.092 400 I HN 0.833 nan 8.210 nan 0.000 0.452 401 T N -3.380 111.092 114.554 -0.136 0.000 3.113 401 T HA 0.081 4.431 4.350 -0.001 0.000 0.256 401 T C 0.569 175.085 174.700 -0.307 0.000 1.131 401 T CA 0.102 62.080 62.100 -0.204 0.000 1.074 401 T CB -0.167 68.621 68.868 -0.133 0.000 0.944 401 T HN 0.162 nan 8.240 nan 0.000 0.516 402 D N 0.002 120.252 120.400 -0.251 0.000 2.350 402 D HA 0.312 4.952 4.640 -0.001 0.000 0.238 402 D C -0.941 175.241 176.300 -0.197 0.000 0.989 402 D CA -0.686 53.168 54.000 -0.244 0.000 0.921 402 D CB 1.415 42.182 40.800 -0.055 0.000 1.297 402 D HN 0.360 nan 8.370 nan 0.000 0.490 403 W N 1.209 122.562 121.300 0.088 0.000 2.238 403 W HA 0.226 4.886 4.660 -0.001 0.000 0.321 403 W C 1.307 177.911 176.519 0.142 0.000 1.293 403 W CA -0.312 57.096 57.345 0.105 0.000 1.204 403 W CB 0.833 30.340 29.460 0.077 0.000 1.167 403 W HN 0.290 nan 8.180 nan 0.000 0.553 404 S N 1.892 117.863 115.700 0.451 0.000 3.986 404 S HA 0.984 5.454 4.470 -0.001 0.000 0.228 404 S C 0.229 175.039 174.600 0.349 0.000 1.044 404 S CA -0.118 58.298 58.200 0.361 0.000 1.556 404 S CB 1.302 64.731 63.200 0.383 0.000 1.056 404 S HN 0.980 nan 8.310 nan 0.000 0.715 405 G N -0.799 108.210 108.800 0.348 0.000 2.398 405 G HA2 0.314 4.273 3.960 -0.001 0.000 0.251 405 G HA3 0.314 4.273 3.960 -0.001 0.000 0.251 405 G C -1.751 173.419 174.900 0.450 0.000 1.277 405 G CA -0.827 44.504 45.100 0.385 0.000 0.927 405 G HN 0.583 nan 8.290 nan 0.000 0.477 406 Y N 1.526 121.993 120.300 0.278 0.000 2.805 406 Y HA 0.393 4.942 4.550 -0.001 0.000 0.337 406 Y C 1.394 177.435 175.900 0.236 0.000 1.252 406 Y CA 0.366 58.655 58.100 0.314 0.000 1.515 406 Y CB 0.666 39.411 38.460 0.475 0.000 1.305 406 Y HN 0.820 nan 8.280 nan 0.000 0.600 407 S N 0.858 116.568 115.700 0.018 0.000 2.569 407 S HA 0.954 5.424 4.470 -0.001 0.000 0.280 407 S C -0.444 173.550 174.600 -1.009 0.000 1.111 407 S CA -0.377 57.499 58.200 -0.540 0.000 0.887 407 S CB 2.244 65.382 63.200 -0.103 0.000 1.095 407 S HN 1.014 nan 8.310 nan 0.000 0.476 408 G N 0.587 108.176 108.800 -2.019 0.000 2.718 408 G HA2 0.609 4.568 3.960 -0.001 0.000 0.295 408 G HA3 0.609 4.568 3.960 -0.001 0.000 0.295 408 G C -0.722 173.544 174.900 -1.056 0.000 1.421 408 G CA -0.442 43.923 45.100 -1.225 0.000 0.902 408 G HN 1.299 nan 8.290 nan 0.000 0.501 409 S N -0.596 114.832 115.700 -0.454 0.000 2.610 409 S HA 0.872 5.341 4.470 -0.001 0.000 0.273 409 S C -0.511 174.308 174.600 0.364 0.000 1.274 409 S CA -0.548 57.512 58.200 -0.234 0.000 1.023 409 S CB 1.064 64.132 63.200 -0.219 0.000 0.962 409 S HN 1.672 nan 8.310 nan 0.000 0.523 410 F N -0.721 119.397 119.950 0.279 0.000 2.641 410 F HA 0.745 5.272 4.527 -0.001 0.000 0.308 410 F C -0.799 175.180 175.800 0.299 0.000 1.105 410 F CA -1.336 56.869 58.000 0.342 0.000 0.964 410 F CB 0.255 39.507 39.000 0.420 0.000 1.294 410 F HN 0.459 nan 8.300 nan 0.000 0.442 411 V N 2.572 122.723 119.914 0.394 0.000 4.523 411 V HA 0.400 4.520 4.120 -0.001 0.000 0.270 411 V C 0.932 177.143 176.094 0.195 0.000 1.181 411 V CA 0.532 62.962 62.300 0.217 0.000 0.737 411 V CB 0.899 32.872 31.823 0.250 0.000 1.207 411 V HN 1.341 nan 8.190 nan 0.000 0.389 412 L N -1.963 119.288 121.223 0.047 0.000 2.346 412 L HA -0.231 4.109 4.340 -0.001 0.000 0.468 412 L C 1.289 178.172 176.870 0.022 0.000 0.714 412 L CA 2.411 57.271 54.840 0.033 0.000 3.079 412 L CB -1.778 40.305 42.059 0.039 0.000 0.758 412 L HN 0.695 nan 8.230 nan 0.000 0.731 413 T N -0.768 113.796 114.554 0.016 0.000 3.010 413 T HA 0.486 4.835 4.350 -0.001 0.000 0.252 413 T C 1.489 176.190 174.700 0.001 0.000 1.047 413 T CA 1.321 63.423 62.100 0.003 0.000 1.140 413 T CB 0.277 69.136 68.868 -0.014 0.000 0.885 413 T HN 1.389 nan 8.240 nan 0.000 0.464 414 G N 0.728 109.531 108.800 0.005 0.000 2.194 414 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.236 414 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.236 414 G C -0.008 174.890 174.900 -0.004 0.000 0.987 414 G CA -0.234 44.868 45.100 0.003 0.000 0.635 414 G HN 0.366 nan 8.290 nan 0.000 0.520 415 L N 1.975 123.192 121.223 -0.010 0.000 2.472 415 L HA 0.419 4.758 4.340 -0.001 0.000 0.260 415 L C 1.435 178.298 176.870 -0.011 0.000 1.209 415 L CA 0.675 55.504 54.840 -0.018 0.000 0.817 415 L CB 0.658 42.698 42.059 -0.032 0.000 1.106 415 L HN 0.359 nan 8.230 nan 0.000 0.479 416 D N -0.854 119.538 120.400 -0.014 0.000 2.368 416 D HA 0.087 4.727 4.640 -0.001 0.000 0.218 416 D C 0.035 176.330 176.300 -0.009 0.000 1.112 416 D CA -0.118 53.877 54.000 -0.008 0.000 0.834 416 D CB -0.180 40.615 40.800 -0.008 0.000 0.953 416 D HN 0.434 nan 8.370 nan 0.000 0.505 417 c N -1.329 117.262 118.600 -0.015 0.000 3.336 417 c HA 0.752 5.322 4.570 -0.001 0.000 0.352 417 c C -0.288 173.791 174.090 -0.018 0.000 1.567 417 c CA -1.285 55.034 56.329 -0.017 0.000 1.328 417 c CB 0.682 43.176 42.510 -0.026 0.000 1.922 417 c HN 0.081 nan 8.230 nan 0.000 0.439 418 I N 1.871 122.428 120.570 -0.020 0.000 2.336 418 I HA 0.367 4.537 4.170 -0.001 0.000 0.292 418 I C 0.395 176.471 176.117 -0.067 0.000 0.991 418 I CA -0.265 61.025 61.300 -0.016 0.000 1.227 418 I CB 0.765 38.779 38.000 0.024 0.000 1.366 418 I HN 0.537 nan 8.210 nan 0.000 0.466 419 R N 7.903 128.351 120.500 -0.086 0.000 2.296 419 R HA 0.249 4.588 4.340 -0.001 0.000 0.323 419 R C -2.383 173.779 176.300 -0.230 0.000 1.067 419 R CA -1.410 54.590 56.100 -0.166 0.000 0.946 419 R CB 0.774 30.974 30.300 -0.167 0.000 0.991 419 R HN 0.301 nan 8.270 nan 0.000 0.448 420 P HA 0.190 nan 4.420 nan 0.000 0.293 420 P C -0.587 176.498 177.300 -0.359 0.000 1.313 420 P CA -0.331 62.438 63.100 -0.552 0.000 0.787 420 P CB 0.887 31.941 31.700 -1.077 0.000 0.910 421 c N 4.317 122.681 118.600 -0.394 0.000 2.973 421 c HA 0.866 5.436 4.570 -0.001 0.000 0.329 421 c C -0.286 173.573 174.090 -0.385 0.000 1.327 421 c CA -0.361 55.623 56.329 -0.575 0.000 1.632 421 c CB 1.291 42.852 42.510 -1.581 0.000 2.098 421 c HN 0.707 nan 8.230 nan 0.000 0.469 422 F N -0.393 119.383 119.950 -0.290 0.000 2.678 422 F HA 0.793 5.320 4.527 -0.000 0.000 0.308 422 F C -1.441 174.542 175.800 0.304 0.000 1.118 422 F CA -1.342 56.545 58.000 -0.188 0.000 0.959 422 F CB 0.759 39.234 39.000 -0.874 0.000 1.305 422 F HN 0.842 nan 8.300 nan 0.000 0.443 423 W N 1.808 123.345 121.300 0.396 0.000 2.781 423 W HA 0.875 5.534 4.660 -0.000 0.000 0.345 423 W C -2.220 174.458 176.519 0.264 0.000 1.085 423 W CA -1.608 55.899 57.345 0.270 0.000 1.198 423 W CB 1.088 30.658 29.460 0.183 0.000 1.423 423 W HN 0.542 nan 8.180 nan 0.000 0.532 424 V N 1.548 121.766 119.914 0.507 0.000 2.638 424 V HA 0.204 4.324 4.120 -0.001 0.000 0.306 424 V C -0.351 176.004 176.094 0.436 0.000 1.052 424 V CA -0.809 61.650 62.300 0.264 0.000 0.885 424 V CB 1.710 33.494 31.823 -0.064 0.000 0.999 424 V HN 0.636 nan 8.190 nan 0.000 0.424 425 E N 4.906 125.402 120.200 0.493 0.000 2.146 425 E HA 0.467 4.816 4.350 -0.001 0.000 0.282 425 E C -1.253 175.518 176.600 0.286 0.000 0.989 425 E CA -0.602 56.033 56.400 0.391 0.000 0.799 425 E CB 1.109 31.082 29.700 0.456 0.000 1.088 425 E HN 0.667 nan 8.360 nan 0.000 0.397 426 L N 6.901 128.264 121.223 0.233 0.000 2.288 426 L HA 0.374 4.713 4.340 -0.001 0.000 0.283 426 L C 0.049 177.038 176.870 0.198 0.000 1.072 426 L CA -0.569 54.413 54.840 0.237 0.000 0.862 426 L CB 0.261 42.457 42.059 0.229 0.000 1.245 426 L HN 0.540 nan 8.230 nan 0.000 0.432 427 I N 4.094 124.776 120.570 0.187 0.000 2.556 427 I HA 0.182 4.351 4.170 -0.001 0.000 0.284 427 I C 0.292 176.400 176.117 -0.015 0.000 1.114 427 I CA 0.039 61.387 61.300 0.081 0.000 1.418 427 I CB 0.286 38.314 38.000 0.047 0.000 1.394 427 I HN 0.508 nan 8.210 nan 0.000 0.552 428 R N 4.334 124.795 120.500 -0.066 0.000 2.750 428 R HA 0.762 5.102 4.340 -0.001 0.000 0.281 428 R C 0.175 176.195 176.300 -0.466 0.000 0.972 428 R CA -0.377 55.597 56.100 -0.210 0.000 0.912 428 R CB 1.612 31.898 30.300 -0.023 0.000 1.187 428 R HN 0.906 nan 8.270 nan 0.000 0.464 429 G N 2.010 110.406 108.800 -0.673 0.000 2.501 429 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.213 429 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.213 429 G C -0.807 173.739 174.900 -0.591 0.000 1.158 429 G CA -0.720 43.853 45.100 -0.877 0.000 1.079 429 G HN 0.479 nan 8.290 nan 0.000 0.586 430 R N 1.893 122.106 120.500 -0.479 0.000 2.582 430 R HA 0.413 4.753 4.340 -0.001 0.000 0.271 430 R C -1.077 175.065 176.300 -0.264 0.000 1.078 430 R CA -0.691 55.220 56.100 -0.315 0.000 1.127 430 R CB 0.893 31.060 30.300 -0.221 0.000 1.038 430 R HN 0.436 nan 8.270 nan 0.000 0.500 431 P HA -0.004 nan 4.420 nan 0.000 0.245 431 P C 0.000 177.170 177.300 -0.218 0.000 1.203 431 P CA 0.671 63.663 63.100 -0.181 0.000 0.792 431 P CB 0.498 32.132 31.700 -0.111 0.000 0.997 432 K N 0.385 120.577 120.400 -0.347 0.000 2.365 432 K HA 0.077 4.397 4.320 -0.001 0.000 0.199 432 K C 0.924 177.345 176.600 -0.298 0.000 1.045 432 K CA 0.674 56.724 56.287 -0.394 0.000 0.962 432 K CB 0.296 32.234 32.500 -0.937 0.000 0.759 432 K HN 0.445 nan 8.250 nan 0.000 0.469 436 T N -0.777 113.616 114.554 -0.268 0.000 2.831 436 T HA 0.745 5.095 4.350 -0.001 0.000 0.287 436 T C 1.072 175.611 174.700 -0.267 0.000 1.070 436 T CA -0.574 61.326 62.100 -0.334 0.000 1.010 436 T CB 1.076 69.433 68.868 -0.852 0.000 1.264 436 T HN 0.919 nan 8.240 nan 0.000 0.532 437 I N -2.424 118.065 120.570 -0.135 0.000 3.968 437 I HA 0.428 4.598 4.170 -0.001 0.000 0.328 437 I C 0.328 176.480 176.117 0.058 0.000 1.290 437 I CA -0.820 60.482 61.300 0.003 0.000 1.163 437 I CB 0.040 38.110 38.000 0.117 0.000 1.024 437 I HN 0.606 nan 8.210 nan 0.000 0.413 438 W N 1.375 122.640 121.300 -0.057 0.000 3.075 438 W HA 0.743 5.403 4.660 -0.000 0.000 0.334 438 W C -1.160 175.306 176.519 -0.088 0.000 1.288 438 W CA -1.126 56.183 57.345 -0.060 0.000 1.095 438 W CB 0.252 29.677 29.460 -0.058 0.000 1.564 438 W HN -0.285 nan 8.180 nan 0.000 0.629 439 T N 1.353 116.063 114.554 0.259 0.000 3.293 439 T HA 0.387 4.737 4.350 -0.001 0.000 0.320 439 T C -1.131 173.722 174.700 0.254 0.000 0.995 439 T CA -0.247 61.905 62.100 0.086 0.000 1.041 439 T CB 1.700 70.561 68.868 -0.013 0.000 1.058 439 T HN 0.564 nan 8.240 nan 0.000 0.453 440 S N 1.396 117.272 115.700 0.295 0.000 2.705 440 S HA 0.957 5.426 4.470 -0.001 0.000 0.280 440 S C -1.128 173.557 174.600 0.142 0.000 1.174 440 S CA -0.345 57.985 58.200 0.216 0.000 0.823 440 S CB 1.866 65.198 63.200 0.221 0.000 1.162 440 S HN 1.156 nan 8.310 nan 0.000 0.487 441 G N 0.789 109.641 108.800 0.087 0.000 2.746 441 G HA2 0.553 4.513 3.960 -0.001 0.000 0.297 441 G HA3 0.553 4.513 3.960 -0.001 0.000 0.297 441 G C -1.150 173.781 174.900 0.051 0.000 1.426 441 G CA -0.392 44.757 45.100 0.082 0.000 0.989 441 G HN 0.681 nan 8.290 nan 0.000 0.520 442 S N -0.353 115.396 115.700 0.083 0.000 2.681 442 S HA 0.810 5.279 4.470 -0.001 0.000 0.270 442 S C 0.459 175.105 174.600 0.078 0.000 1.209 442 S CA -0.298 57.938 58.200 0.059 0.000 0.988 442 S CB 1.379 64.635 63.200 0.093 0.000 1.006 442 S HN 1.408 nan 8.310 nan 0.000 0.558 443 S N 0.364 116.094 115.700 0.051 0.000 2.541 443 S HA 0.785 5.255 4.470 -0.001 0.000 0.280 443 S C -0.767 173.881 174.600 0.080 0.000 1.112 443 S CA -0.968 57.285 58.200 0.089 0.000 0.925 443 S CB 0.772 63.976 63.200 0.007 0.000 1.067 443 S HN 0.758 nan 8.310 nan 0.000 0.479 444 I N -0.346 120.312 120.570 0.147 0.000 2.686 444 I HA 0.877 5.046 4.170 -0.001 0.000 0.295 444 I C -0.729 175.446 176.117 0.096 0.000 1.114 444 I CA -0.829 60.507 61.300 0.060 0.000 1.038 444 I CB 2.282 40.383 38.000 0.168 0.000 1.238 444 I HN 0.832 nan 8.210 nan 0.000 0.420 445 S N 3.671 119.278 115.700 -0.155 0.000 2.569 445 S HA 0.850 5.319 4.470 -0.001 0.000 0.280 445 S C -1.238 173.073 174.600 -0.482 0.000 1.111 445 S CA -0.536 57.647 58.200 -0.029 0.000 0.887 445 S CB 1.955 65.329 63.200 0.290 0.000 1.095 445 S HN 0.581 nan 8.310 nan 0.000 0.476 446 F N -0.547 119.124 119.950 -0.466 0.000 2.650 446 F HA 0.826 5.353 4.527 -0.000 0.000 0.320 446 F C 0.053 175.676 175.800 -0.295 0.000 1.091 446 F CA -0.927 56.834 58.000 -0.399 0.000 0.962 446 F CB 1.651 40.301 39.000 -0.583 0.000 1.363 446 F HN 0.834 nan 8.300 nan 0.000 0.482 447 c N 0.088 118.732 118.600 0.073 0.000 3.080 447 c HA 0.645 5.215 4.570 -0.001 0.000 0.307 447 c C 1.432 175.484 174.090 -0.062 0.000 1.311 447 c CA -0.273 56.014 56.329 -0.070 0.000 1.533 447 c CB 1.304 43.616 42.510 -0.330 0.000 1.970 447 c HN 1.074 nan 8.230 nan 0.000 0.467 448 G N 0.811 109.432 108.800 -0.299 0.000 2.988 448 G HA2 0.099 4.059 3.960 -0.001 0.000 0.204 448 G HA3 0.099 4.059 3.960 -0.001 0.000 0.204 448 G C 0.244 174.808 174.900 -0.560 0.000 1.378 448 G CA 1.849 46.561 45.100 -0.646 0.000 0.781 448 G HN 1.592 nan 8.290 nan 0.000 0.738 449 V N -0.957 118.734 119.914 -0.371 0.000 3.368 449 V HA -0.174 3.946 4.120 -0.001 0.000 0.484 449 V C 0.695 176.623 176.094 -0.277 0.000 0.682 449 V CA 0.546 62.685 62.300 -0.270 0.000 2.029 449 V CB -0.985 30.714 31.823 -0.207 0.000 2.476 449 V HN 0.782 nan 8.190 nan 0.000 0.502 450 N N 1.184 119.770 118.700 -0.191 0.000 2.305 450 N HA 0.030 4.770 4.740 -0.001 0.000 0.179 450 N C 1.081 176.512 175.510 -0.131 0.000 1.019 450 N CA 1.054 54.005 53.050 -0.165 0.000 0.869 450 N CB -0.017 38.397 38.487 -0.120 0.000 1.000 450 N HN 1.041 nan 8.380 nan 0.000 0.431 451 S N -0.064 115.576 115.700 -0.100 0.000 2.611 451 S HA 0.052 4.522 4.470 -0.001 0.000 0.252 451 S C 0.024 174.586 174.600 -0.063 0.000 1.369 451 S CA -0.479 57.681 58.200 -0.066 0.000 0.975 451 S CB 0.417 63.590 63.200 -0.045 0.000 0.937 451 S HN 0.168 nan 8.310 nan 0.000 0.584 452 D N -0.970 119.413 120.400 -0.028 0.000 2.326 452 D HA 0.656 5.296 4.640 -0.001 0.000 0.251 452 D C 0.088 176.406 176.300 0.031 0.000 1.023 452 D CA -0.230 53.767 54.000 -0.005 0.000 0.966 452 D CB 1.554 42.360 40.800 0.010 0.000 1.156 452 D HN 0.652 nan 8.370 nan 0.000 0.494 453 T N -0.466 114.130 114.554 0.071 0.000 2.644 453 T HA 0.711 5.061 4.350 -0.001 0.000 0.253 453 T C -0.840 173.959 174.700 0.166 0.000 0.910 453 T CA -0.664 61.519 62.100 0.138 0.000 1.066 453 T CB 0.889 69.876 68.868 0.198 0.000 1.484 453 T HN 0.203 nan 8.240 nan 0.000 0.560 454 V N -0.083 119.983 119.914 0.253 0.000 2.969 454 V HA 0.685 4.805 4.120 -0.001 0.000 0.304 454 V C 0.253 176.570 176.094 0.372 0.000 1.192 454 V CA -1.196 61.246 62.300 0.238 0.000 0.962 454 V CB 1.701 33.610 31.823 0.142 0.000 1.045 454 V HN 1.140 nan 8.190 nan 0.000 0.428 455 G N 0.971 109.957 108.800 0.309 0.000 2.476 455 G HA2 0.547 4.507 3.960 -0.001 0.000 0.269 455 G HA3 0.547 4.507 3.960 -0.001 0.000 0.269 455 G C -1.264 173.855 174.900 0.366 0.000 1.195 455 G CA 0.172 45.494 45.100 0.369 0.000 0.843 455 G HN 0.783 nan 8.290 nan 0.000 0.545 456 W N -0.493 120.831 121.300 0.039 0.000 2.664 456 W HA 0.570 5.229 4.660 -0.001 0.000 0.447 456 W C -1.096 175.273 176.519 -0.251 0.000 0.951 456 W CA -0.695 56.480 57.345 -0.283 0.000 1.322 456 W CB 0.885 29.882 29.460 -0.770 0.000 1.403 456 W HN 0.768 nan 8.180 nan 0.000 0.638 457 S N 1.519 116.759 115.700 -0.767 0.000 2.733 457 S HA 0.522 4.991 4.470 -0.001 0.000 0.294 457 S C -1.620 172.577 174.600 -0.672 0.000 1.149 457 S CA -0.422 57.497 58.200 -0.468 0.000 1.034 457 S CB 0.313 63.287 63.200 -0.376 0.000 1.015 457 S HN 0.331 nan 8.310 nan 0.000 0.486 458 W N 6.780 128.076 121.300 -0.006 0.000 1.993 458 W HA 0.290 4.950 4.660 -0.001 0.000 0.288 458 W C -2.526 174.027 176.519 0.058 0.000 0.844 458 W CA -1.785 55.571 57.345 0.018 0.000 2.039 458 W CB 0.737 30.319 29.460 0.204 0.000 2.270 458 W HN 0.535 nan 8.180 nan 0.000 0.389 459 P HA -0.016 nan 4.420 nan 0.000 0.275 459 P C 0.715 178.108 177.300 0.155 0.000 1.266 459 P CA 0.279 63.461 63.100 0.137 0.000 0.793 459 P CB 1.630 33.356 31.700 0.044 0.000 1.074 460 D N 0.185 120.686 120.400 0.168 0.000 2.092 460 D HA -0.113 4.527 4.640 -0.001 0.000 0.193 460 D C 1.368 177.752 176.300 0.141 0.000 0.994 460 D CA 2.399 56.499 54.000 0.166 0.000 0.828 460 D CB -0.810 40.105 40.800 0.192 0.000 0.963 460 D HN 0.687 nan 8.370 nan 0.000 0.450 461 G N -0.673 108.205 108.800 0.130 0.000 2.136 461 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.242 461 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.242 461 G C 0.289 175.274 174.900 0.141 0.000 0.989 461 G CA 0.502 45.668 45.100 0.110 0.000 0.682 461 G HN 0.771 nan 8.290 nan 0.000 0.522 462 A N -0.328 122.605 122.820 0.188 0.000 2.302 462 A HA 0.710 5.030 4.320 -0.001 0.000 0.285 462 A C 0.289 178.035 177.584 0.270 0.000 1.105 462 A CA -0.270 51.924 52.037 0.262 0.000 0.816 462 A CB 0.583 19.785 19.000 0.337 0.000 1.067 462 A HN 0.396 nan 8.150 nan 0.000 0.489 463 E N 1.269 121.667 120.200 0.329 0.000 2.081 463 E HA 0.422 4.771 4.350 -0.001 0.000 0.281 463 E C -1.048 175.790 176.600 0.397 0.000 0.986 463 E CA -0.043 56.525 56.400 0.279 0.000 0.796 463 E CB 0.906 30.721 29.700 0.193 0.000 1.085 463 E HN 0.503 nan 8.360 nan 0.000 0.398 464 L N 4.427 125.814 121.223 0.272 0.000 2.334 464 L HA 0.537 4.876 4.340 -0.001 0.000 0.272 464 L C -1.549 175.426 176.870 0.176 0.000 1.020 464 L CA -1.918 53.066 54.840 0.239 0.000 0.812 464 L CB 0.853 42.943 42.059 0.053 0.000 1.264 464 L HN 0.422 nan 8.230 nan 0.000 0.439 465 P HA 0.335 nan 4.420 nan 0.000 0.279 465 P C -0.956 176.633 177.300 0.483 0.000 1.282 465 P CA -0.389 62.849 63.100 0.229 0.000 0.788 465 P CB 0.843 32.630 31.700 0.144 0.000 1.139 466 F N -0.830 119.286 119.950 0.276 0.000 2.377 466 F HA 0.189 4.716 4.527 -0.001 0.000 0.335 466 F C 2.137 178.020 175.800 0.138 0.000 1.099 466 F CA -0.997 57.133 58.000 0.216 0.000 1.072 466 F CB -0.666 38.483 39.000 0.248 0.000 1.417 466 F HN 0.206 nan 8.300 nan 0.000 0.495 467 T N 1.601 116.275 114.554 0.200 0.000 2.996 467 T HA 0.016 4.366 4.350 -0.001 0.000 0.271 467 T C 0.701 175.489 174.700 0.146 0.000 1.126 467 T CA 0.894 63.056 62.100 0.104 0.000 1.103 467 T CB -0.748 68.128 68.868 0.014 0.000 0.870 467 T HN 0.342 nan 8.240 nan 0.000 0.528 468 I N 0.000 120.721 120.570 0.251 0.000 2.984 468 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 468 I CA 0.000 61.450 61.300 0.250 0.000 1.566 468 I CB 0.000 38.103 38.000 0.172 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494