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 3k3a_1_N DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.199 177.300 -0.168 0.000 1.155 78 P CA 0.000 63.045 63.100 -0.091 0.000 0.800 78 P CB 0.000 31.655 31.700 -0.076 0.000 0.726 79 E N -0.218 119.896 120.200 -0.142 0.000 2.378 79 E HA 0.357 4.708 4.350 0.001 0.000 0.265 79 E C -0.728 175.809 176.600 -0.105 0.000 0.932 79 E CA -0.397 55.883 56.400 -0.201 0.000 0.795 79 E CB 1.231 30.898 29.700 -0.055 0.000 1.296 79 E HN 0.402 nan 8.360 nan 0.000 0.438 80 W N 0.527 121.853 121.300 0.044 0.000 2.148 80 W HA 0.123 4.783 4.660 0.001 0.000 0.347 80 W C 1.159 177.644 176.519 -0.057 0.000 1.288 80 W CA 0.092 57.407 57.345 -0.050 0.000 1.252 80 W CB 0.415 29.792 29.460 -0.139 0.000 1.156 80 W HN 0.145 nan 8.180 nan 0.000 0.580 81 T N 1.838 116.462 114.554 0.117 0.000 2.928 81 T HA 0.494 4.844 4.350 0.001 0.000 0.284 81 T C -1.354 173.169 174.700 -0.294 0.000 1.008 81 T CA -0.279 61.839 62.100 0.029 0.000 1.057 81 T CB 0.394 69.296 68.868 0.057 0.000 1.018 81 T HN 0.256 nan 8.240 nan 0.000 0.493 82 Y N 2.185 122.454 120.300 -0.051 0.000 2.553 82 Y HA 0.458 5.009 4.550 0.001 0.000 0.347 82 Y C -1.994 173.766 175.900 -0.234 0.000 1.019 82 Y CA -2.335 55.650 58.100 -0.192 0.000 1.032 82 Y CB 1.656 40.031 38.460 -0.142 0.000 1.284 82 Y HN 0.514 nan 8.280 nan 0.000 0.466 83 P HA 0.152 nan 4.420 nan 0.000 0.264 83 P C -0.874 176.393 177.300 -0.055 0.000 1.193 83 P CA 0.085 63.073 63.100 -0.185 0.000 0.763 83 P CB 0.989 32.488 31.700 -0.335 0.000 0.810 84 R N 1.587 122.084 120.500 -0.005 0.000 2.810 84 R HA 0.541 4.882 4.340 0.001 0.000 0.245 84 R C -0.144 176.165 176.300 0.015 0.000 1.168 84 R CA -1.220 54.883 56.100 0.004 0.000 1.096 84 R CB -0.053 30.255 30.300 0.013 0.000 1.259 84 R HN 0.242 nan 8.270 nan 0.000 0.518 85 L N 1.086 122.318 121.223 0.015 0.000 2.490 85 L HA 0.084 4.425 4.340 0.001 0.000 0.274 85 L C 0.002 176.895 176.870 0.038 0.000 1.201 85 L CA 0.709 55.567 54.840 0.029 0.000 0.869 85 L CB 0.469 42.542 42.059 0.024 0.000 1.123 85 L HN 0.605 nan 8.230 nan 0.000 0.484 86 S N 1.377 117.111 115.700 0.058 0.000 2.593 86 S HA 0.169 4.640 4.470 0.001 0.000 0.269 86 S C 0.110 174.736 174.600 0.043 0.000 1.334 86 S CA -0.870 57.364 58.200 0.056 0.000 1.015 86 S CB 0.409 63.663 63.200 0.090 0.000 0.912 86 S HN 0.696 nan 8.310 nan 0.000 0.541 87 c N 3.188 121.800 118.600 0.021 0.000 2.689 87 c HA 0.250 4.821 4.570 0.001 0.000 0.409 87 c C -1.803 172.304 174.090 0.028 0.000 1.293 87 c CA -1.083 55.253 56.329 0.011 0.000 2.136 87 c CB -1.037 41.463 42.510 -0.016 0.000 2.719 87 c HN 0.607 nan 8.230 nan 0.000 0.644 88 P HA 0.399 nan 4.420 nan 0.000 0.265 88 P C 0.047 177.371 177.300 0.039 0.000 1.187 88 P CA 1.047 64.171 63.100 0.039 0.000 0.766 88 P CB 0.180 31.895 31.700 0.025 0.000 0.820 89 G N 0.152 108.997 108.800 0.075 0.000 2.358 89 G HA2 0.363 4.323 3.960 0.001 0.000 0.301 89 G HA3 0.363 4.323 3.960 0.001 0.000 0.301 89 G C -0.343 174.663 174.900 0.177 0.000 1.539 89 G CA -0.200 44.953 45.100 0.087 0.000 0.893 89 G HN 0.409 nan 8.290 nan 0.000 0.636 90 S N -1.590 114.230 115.700 0.201 0.000 2.847 90 S HA 0.573 5.044 4.470 0.001 0.000 0.254 90 S C 0.360 175.212 174.600 0.421 0.000 1.039 90 S CA 0.629 59.021 58.200 0.321 0.000 1.113 90 S CB 1.038 64.356 63.200 0.196 0.000 1.092 90 S HN 1.382 nan 8.310 nan 0.000 0.620 91 T N 1.127 115.864 114.554 0.304 0.000 2.923 91 T HA 0.656 5.006 4.350 0.001 0.000 0.311 91 T C -1.745 173.071 174.700 0.194 0.000 1.183 91 T CA -0.452 61.835 62.100 0.312 0.000 1.020 91 T CB 0.728 69.734 68.868 0.230 0.000 1.165 91 T HN 0.056 nan 8.240 nan 0.000 0.482 92 F N 3.237 123.068 119.950 -0.199 0.000 2.389 92 F HA 0.584 5.112 4.527 0.001 0.000 0.337 92 F C 0.927 176.742 175.800 0.026 0.000 1.112 92 F CA -0.334 57.547 58.000 -0.199 0.000 1.192 92 F CB 1.140 39.965 39.000 -0.292 0.000 1.185 92 F HN 0.392 nan 8.300 nan 0.000 0.552 93 Q N 1.106 120.984 119.800 0.131 0.000 2.484 93 Q HA 0.240 4.581 4.340 0.001 0.000 0.285 93 Q C -0.860 175.171 176.000 0.052 0.000 1.097 93 Q CA -1.201 54.699 55.803 0.162 0.000 0.802 93 Q CB 2.481 31.244 28.738 0.041 0.000 1.444 93 Q HN 0.536 nan 8.270 nan 0.000 0.429 94 K N 0.366 120.702 120.400 -0.107 0.000 2.447 94 K HA 0.265 4.585 4.320 0.001 0.000 0.281 94 K C 0.094 176.477 176.600 -0.362 0.000 1.031 94 K CA 0.525 56.389 56.287 -0.706 0.000 1.019 94 K CB 0.460 32.744 32.500 -0.360 0.000 0.918 94 K HN 0.689 nan 8.250 nan 0.000 0.476 95 A N 4.780 127.366 122.820 -0.390 0.000 1.969 95 A HA 0.238 4.559 4.320 0.001 0.000 0.205 95 A C -0.201 177.312 177.584 -0.120 0.000 1.364 95 A CA 0.188 52.112 52.037 -0.188 0.000 0.756 95 A CB 0.185 19.094 19.000 -0.152 0.000 0.988 95 A HN 0.613 nan 8.150 nan 0.000 0.490 96 L N -1.385 119.767 121.223 -0.119 0.000 2.582 96 L HA 0.719 5.059 4.340 0.001 0.000 0.257 96 L C -2.050 174.795 176.870 -0.041 0.000 0.974 96 L CA -0.592 54.217 54.840 -0.053 0.000 0.851 96 L CB 2.115 44.161 42.059 -0.022 0.000 1.424 96 L HN 0.269 nan 8.230 nan 0.000 0.412 97 L N 4.546 125.762 121.223 -0.011 0.000 2.356 97 L HA 0.687 5.028 4.340 0.001 0.000 0.277 97 L C -1.455 175.434 176.870 0.032 0.000 0.996 97 L CA -0.272 54.576 54.840 0.013 0.000 0.822 97 L CB 1.617 43.684 42.059 0.013 0.000 1.256 97 L HN 0.486 nan 8.230 nan 0.000 0.413 98 I N 4.326 124.925 120.570 0.048 0.000 2.347 98 I HA 0.275 4.446 4.170 0.001 0.000 0.283 98 I C 0.053 176.238 176.117 0.113 0.000 1.058 98 I CA -0.006 61.346 61.300 0.087 0.000 1.202 98 I CB 0.722 38.786 38.000 0.107 0.000 1.386 98 I HN 0.682 nan 8.210 nan 0.000 0.475 99 S N 8.525 124.268 115.700 0.072 0.000 2.516 99 S HA 0.471 4.941 4.470 0.001 0.000 0.268 99 S C -1.709 172.857 174.600 -0.057 0.000 1.251 99 S CA -1.218 57.015 58.200 0.056 0.000 1.153 99 S CB 0.866 64.083 63.200 0.028 0.000 1.009 99 S HN 0.279 nan 8.310 nan 0.000 0.479 100 P HA 0.033 nan 4.420 nan 0.000 0.231 100 P C 0.737 177.835 177.300 -0.336 0.000 1.168 100 P CA 0.623 63.644 63.100 -0.132 0.000 0.779 100 P CB 0.016 31.567 31.700 -0.248 0.000 0.844 101 H N -0.929 118.051 119.070 -0.151 0.000 2.547 101 H HA 0.197 4.753 4.556 0.001 0.000 0.266 101 H C 1.601 176.740 175.328 -0.315 0.000 0.988 101 H CA 0.333 56.208 56.048 -0.289 0.000 1.147 101 H CB 0.032 29.523 29.762 -0.452 0.000 1.365 101 H HN 0.012 nan 8.280 nan 0.000 0.589 102 R N 0.394 120.658 120.500 -0.393 0.000 2.355 102 R HA -0.088 4.253 4.340 0.001 0.000 0.219 102 R C 0.346 176.262 176.300 -0.640 0.000 1.107 102 R CA 0.624 56.368 56.100 -0.593 0.000 1.021 102 R CB -0.261 29.488 30.300 -0.918 0.000 0.852 102 R HN 0.290 nan 8.270 nan 0.000 0.475 103 F N -2.287 117.627 119.950 -0.061 0.000 2.746 103 F HA 0.319 4.846 4.527 0.001 0.000 0.320 103 F C 1.552 177.306 175.800 -0.078 0.000 1.097 103 F CA -0.557 57.403 58.000 -0.067 0.000 1.195 103 F CB 0.252 39.201 39.000 -0.085 0.000 1.056 103 F HN -0.152 nan 8.300 nan 0.000 0.562 104 G N 0.681 109.496 108.800 0.025 0.000 3.882 104 G HA2 0.298 4.258 3.960 0.001 0.000 0.283 104 G HA3 0.298 4.258 3.960 0.001 0.000 0.283 104 G C -0.184 174.693 174.900 -0.038 0.000 1.283 104 G CA -0.206 44.874 45.100 -0.032 0.000 1.402 104 G HN 0.107 nan 8.290 nan 0.000 0.618 105 E N -0.505 119.705 120.200 0.016 0.000 2.343 105 E HA 0.331 4.682 4.350 0.001 0.000 0.269 105 E C 1.372 177.994 176.600 0.036 0.000 1.047 105 E CA -0.347 56.072 56.400 0.031 0.000 0.874 105 E CB 1.040 30.765 29.700 0.041 0.000 1.033 105 E HN -0.026 nan 8.360 nan 0.000 0.409 106 T N 2.170 116.754 114.554 0.049 0.000 2.653 106 T HA -0.222 4.129 4.350 0.001 0.000 0.267 106 T C 1.234 175.954 174.700 0.033 0.000 1.037 106 T CA 1.542 63.670 62.100 0.045 0.000 1.159 106 T CB -0.063 68.837 68.868 0.054 0.000 0.859 106 T HN 0.342 nan 8.240 nan 0.000 0.449 107 K N 0.807 121.228 120.400 0.035 0.000 2.486 107 K HA 0.160 4.481 4.320 0.001 0.000 0.194 107 K C 1.292 177.910 176.600 0.029 0.000 1.033 107 K CA 0.137 56.442 56.287 0.029 0.000 1.004 107 K CB -0.180 32.338 32.500 0.030 0.000 0.798 107 K HN 0.413 nan 8.250 nan 0.000 0.495 108 G N 1.057 109.878 108.800 0.035 0.000 2.531 108 G HA2 0.160 4.121 3.960 0.001 0.000 0.281 108 G HA3 0.160 4.121 3.960 0.001 0.000 0.281 108 G C 0.026 174.939 174.900 0.022 0.000 1.382 108 G CA -0.445 44.678 45.100 0.038 0.000 1.045 108 G HN 0.092 nan 8.290 nan 0.000 0.533 109 N N -0.609 118.100 118.700 0.014 0.000 2.545 109 N HA 0.230 4.971 4.740 0.001 0.000 0.283 109 N C -0.732 174.765 175.510 -0.021 0.000 1.596 109 N CA -0.202 52.845 53.050 -0.005 0.000 0.862 109 N CB 1.254 39.733 38.487 -0.013 0.000 1.422 109 N HN 0.260 nan 8.380 nan 0.000 0.489 110 S N -0.041 115.652 115.700 -0.011 0.000 2.677 110 S HA 0.823 5.294 4.470 0.001 0.000 0.304 110 S C -0.310 174.281 174.600 -0.015 0.000 1.108 110 S CA -0.679 57.503 58.200 -0.031 0.000 0.944 110 S CB 2.424 65.603 63.200 -0.034 0.000 1.127 110 S HN 0.213 nan 8.310 nan 0.000 0.511 111 A N 2.802 125.605 122.820 -0.029 0.000 3.082 111 A HA 0.556 4.877 4.320 0.001 0.000 0.328 111 A C -2.931 174.629 177.584 -0.041 0.000 1.089 111 A CA -1.465 50.561 52.037 -0.019 0.000 0.802 111 A CB 0.163 19.158 19.000 -0.008 0.000 1.138 111 A HN 0.454 nan 8.150 nan 0.000 0.474 112 P HA 0.228 nan 4.420 nan 0.000 0.271 112 P C -0.170 177.077 177.300 -0.087 0.000 1.218 112 P CA 0.072 63.081 63.100 -0.152 0.000 0.780 112 P CB 1.070 32.543 31.700 -0.379 0.000 0.901 113 L N 3.202 124.375 121.223 -0.084 0.000 2.397 113 L HA 0.274 4.615 4.340 0.001 0.000 0.271 113 L C 1.001 177.929 176.870 0.095 0.000 1.148 113 L CA -0.681 54.155 54.840 -0.007 0.000 0.825 113 L CB 0.254 42.260 42.059 -0.088 0.000 1.117 113 L HN 0.270 nan 8.230 nan 0.000 0.456 114 I N 4.378 125.051 120.570 0.172 0.000 2.396 114 I HA 0.175 4.346 4.170 0.001 0.000 0.289 114 I C -0.010 176.252 176.117 0.242 0.000 1.056 114 I CA 0.038 61.486 61.300 0.247 0.000 1.365 114 I CB 0.605 38.759 38.000 0.257 0.000 1.407 114 I HN 0.441 nan 8.210 nan 0.000 0.509 115 I N 4.879 125.592 120.570 0.237 0.000 3.343 115 I HA 0.747 4.918 4.170 0.001 0.000 0.315 115 I C -0.479 175.748 176.117 0.183 0.000 1.153 115 I CA -0.760 60.640 61.300 0.168 0.000 0.952 115 I CB 1.955 39.983 38.000 0.046 0.000 1.287 115 I HN 0.432 nan 8.210 nan 0.000 0.472 116 R N -0.378 120.201 120.500 0.132 0.000 2.907 116 R HA 0.336 4.677 4.340 0.001 0.000 0.266 116 R C -1.212 175.160 176.300 0.121 0.000 1.031 116 R CA -0.965 55.194 56.100 0.099 0.000 0.904 116 R CB 1.240 31.604 30.300 0.108 0.000 1.358 116 R HN 0.778 nan 8.270 nan 0.000 0.438 117 E N 0.755 121.036 120.200 0.136 0.000 2.183 117 E HA -0.168 4.182 4.350 0.001 0.000 0.196 117 E C -2.426 174.352 176.600 0.297 0.000 1.364 117 E CA 0.482 57.044 56.400 0.271 0.000 0.700 117 E CB -1.014 28.863 29.700 0.296 0.000 1.106 117 E HN 0.208 nan 8.360 nan 0.000 0.347 118 P HA 0.366 nan 4.420 nan 0.000 0.274 118 P C -0.253 177.064 177.300 0.028 0.000 1.246 118 P CA -0.171 63.031 63.100 0.170 0.000 0.795 118 P CB 0.524 32.412 31.700 0.313 0.000 1.006 119 F N -2.055 117.698 119.950 -0.327 0.000 2.765 119 F HA 0.598 5.126 4.527 0.001 0.000 0.313 119 F C -2.034 173.565 175.800 -0.335 0.000 1.136 119 F CA -1.188 56.191 58.000 -1.035 0.000 0.952 119 F CB 0.232 38.748 39.000 -0.805 0.000 1.268 119 F HN 0.053 nan 8.300 nan 0.000 0.441 120 I N 2.305 122.732 120.570 -0.237 0.000 2.603 120 I HA 0.883 5.053 4.170 0.001 0.000 0.300 120 I C -0.461 175.747 176.117 0.151 0.000 1.017 120 I CA -1.069 60.111 61.300 -0.199 0.000 1.098 120 I CB 2.026 39.489 38.000 -0.895 0.000 1.279 120 I HN 1.009 nan 8.210 nan 0.000 0.437 121 A N 4.310 127.352 122.820 0.369 0.000 2.486 121 A HA 0.796 5.117 4.320 0.001 0.000 0.300 121 A C -1.408 176.537 177.584 0.600 0.000 1.048 121 A CA -0.434 51.933 52.037 0.549 0.000 0.696 121 A CB 1.419 20.870 19.000 0.752 0.000 1.278 121 A HN 0.740 nan 8.150 nan 0.000 0.405 122 c N 0.891 119.764 118.600 0.454 0.000 2.561 122 c HA 0.923 5.494 4.570 0.001 0.000 0.319 122 c C 1.087 175.234 174.090 0.095 0.000 1.198 122 c CA -0.019 56.523 56.329 0.354 0.000 1.665 122 c CB 1.374 44.052 42.510 0.279 0.000 2.258 122 c HN 1.211 nan 8.230 nan 0.000 0.493 123 G N 1.440 110.199 108.800 -0.068 0.000 2.753 123 G HA2 0.580 4.541 3.960 0.001 0.000 0.285 123 G HA3 0.580 4.541 3.960 0.001 0.000 0.285 123 G C -2.027 172.713 174.900 -0.267 0.000 1.344 123 G CA -0.665 44.136 45.100 -0.497 0.000 1.050 123 G HN 0.425 nan 8.290 nan 0.000 0.532 124 P HA 0.012 nan 4.420 nan 0.000 0.220 124 P C 1.123 178.378 177.300 -0.074 0.000 1.148 124 P CA 1.437 64.457 63.100 -0.134 0.000 0.803 124 P CB 0.165 31.798 31.700 -0.112 0.000 0.782 125 K N -2.361 117.992 120.400 -0.079 0.000 2.425 125 K HA 0.271 4.592 4.320 0.001 0.000 0.201 125 K C 0.710 177.327 176.600 0.029 0.000 1.128 125 K CA -0.080 56.199 56.287 -0.013 0.000 1.000 125 K CB 0.904 33.403 32.500 -0.003 0.000 0.961 125 K HN -0.041 nan 8.250 nan 0.000 0.555 126 E N 0.624 120.862 120.200 0.063 0.000 2.308 126 E HA 0.304 4.655 4.350 0.001 0.000 0.275 126 E C -1.521 175.199 176.600 0.200 0.000 0.890 126 E CA -0.909 55.566 56.400 0.124 0.000 0.754 126 E CB 2.240 32.035 29.700 0.159 0.000 1.207 126 E HN 0.156 nan 8.360 nan 0.000 0.426 127 c N 3.892 122.577 118.600 0.142 0.000 2.273 127 c HA 0.440 5.010 4.570 0.001 0.000 0.328 127 c C -0.045 174.059 174.090 0.022 0.000 1.275 127 c CA -0.628 55.794 56.329 0.154 0.000 1.704 127 c CB -0.050 42.538 42.510 0.128 0.000 2.326 127 c HN 0.502 nan 8.230 nan 0.000 0.517 128 K N 1.855 122.225 120.400 -0.051 0.000 2.159 128 K HA 0.299 4.620 4.320 0.001 0.000 0.266 128 K C -0.284 175.997 176.600 -0.532 0.000 0.975 128 K CA -0.303 55.707 56.287 -0.461 0.000 0.865 128 K CB 1.043 32.938 32.500 -1.008 0.000 1.087 128 K HN 0.795 nan 8.250 nan 0.000 0.446 129 H N 3.889 122.569 119.070 -0.648 0.000 2.641 129 H HA 0.221 4.778 4.556 0.001 0.000 0.295 129 H C -1.065 173.855 175.328 -0.679 0.000 1.070 129 H CA -0.767 54.977 56.048 -0.506 0.000 1.257 129 H CB 0.306 29.892 29.762 -0.295 0.000 1.393 129 H HN 0.340 nan 8.280 nan 0.000 0.464 130 F N 2.996 122.642 119.950 -0.508 0.000 2.403 130 F HA 0.630 5.157 4.527 0.001 0.000 0.326 130 F C 0.311 175.698 175.800 -0.689 0.000 1.081 130 F CA -0.259 57.275 58.000 -0.776 0.000 1.041 130 F CB 1.816 39.957 39.000 -1.431 0.000 1.234 130 F HN 0.602 nan 8.300 nan 0.000 0.503 131 A N 1.482 124.140 122.820 -0.270 0.000 2.610 131 A HA 0.738 5.059 4.320 0.001 0.000 0.291 131 A C -1.856 175.706 177.584 -0.037 0.000 1.086 131 A CA -0.793 51.160 52.037 -0.140 0.000 0.677 131 A CB 1.221 20.099 19.000 -0.203 0.000 1.278 131 A HN 0.685 nan 8.150 nan 0.000 0.414 132 L N 1.800 123.045 121.223 0.037 0.000 2.259 132 L HA 0.409 4.750 4.340 0.001 0.000 0.288 132 L C 0.536 177.396 176.870 -0.017 0.000 1.051 132 L CA -0.275 54.584 54.840 0.031 0.000 0.824 132 L CB 1.185 43.295 42.059 0.085 0.000 1.206 132 L HN 0.787 nan 8.230 nan 0.000 0.429 133 T N 0.782 115.305 114.554 -0.052 0.000 2.913 133 T HA 0.170 4.521 4.350 0.001 0.000 0.287 133 T C 0.948 175.668 174.700 0.033 0.000 1.008 133 T CA -0.247 61.840 62.100 -0.022 0.000 1.067 133 T CB 0.529 69.311 68.868 -0.144 0.000 0.996 133 T HN 0.494 nan 8.240 nan 0.000 0.513 134 H N 3.165 122.341 119.070 0.176 0.000 2.526 134 H HA 0.067 4.623 4.556 0.001 0.000 0.274 134 H C -0.256 175.258 175.328 0.311 0.000 0.999 134 H CA 0.110 56.301 56.048 0.239 0.000 1.157 134 H CB -0.027 29.866 29.762 0.218 0.000 1.407 134 H HN 0.817 nan 8.280 nan 0.000 0.568 135 Y N -0.197 120.236 120.300 0.221 0.000 3.568 135 Y HA -0.215 4.336 4.550 0.001 0.000 0.220 135 Y C -0.241 175.733 175.900 0.123 0.000 1.319 135 Y CA 0.292 58.499 58.100 0.178 0.000 1.629 135 Y CB -1.406 37.118 38.460 0.108 0.000 1.515 135 Y HN 0.384 nan 8.280 nan 0.000 0.613 136 A N -0.242 122.756 122.820 0.296 0.000 2.587 136 A HA 1.017 5.338 4.320 0.001 0.000 0.293 136 A C -0.924 176.799 177.584 0.232 0.000 1.087 136 A CA -0.181 52.027 52.037 0.286 0.000 0.692 136 A CB 1.301 20.518 19.000 0.361 0.000 1.291 136 A HN 1.238 nan 8.150 nan 0.000 0.407 137 A N 0.097 123.048 122.820 0.219 0.000 2.485 137 A HA 0.831 5.152 4.320 0.001 0.000 0.292 137 A C -0.852 176.835 177.584 0.172 0.000 1.147 137 A CA -0.536 51.592 52.037 0.152 0.000 0.750 137 A CB 1.593 20.650 19.000 0.094 0.000 1.331 137 A HN 0.840 nan 8.150 nan 0.000 0.419 138 Q N 1.029 120.868 119.800 0.065 0.000 2.331 138 Q HA 0.476 4.816 4.340 0.001 0.000 0.267 138 Q C -2.715 173.268 176.000 -0.029 0.000 1.006 138 Q CA -2.117 53.664 55.803 -0.037 0.000 0.818 138 Q CB 2.346 30.791 28.738 -0.488 0.000 1.276 138 Q HN 0.539 nan 8.270 nan 0.000 0.450 139 P HA 0.376 nan 4.420 nan 0.000 0.278 139 P C -0.646 176.690 177.300 0.060 0.000 1.238 139 P CA 0.085 63.245 63.100 0.099 0.000 0.794 139 P CB 1.749 33.488 31.700 0.066 0.000 0.955 140 G N 0.004 108.779 108.800 -0.042 0.000 2.753 140 G HA2 0.547 4.507 3.960 0.001 0.000 0.303 140 G HA3 0.547 4.507 3.960 0.001 0.000 0.303 140 G C -0.302 174.242 174.900 -0.593 0.000 1.242 140 G CA -0.167 44.819 45.100 -0.191 0.000 0.810 140 G HN 0.487 nan 8.290 nan 0.000 0.515 141 G N -1.651 106.815 108.800 -0.557 0.000 3.815 141 G HA2 0.337 4.298 3.960 0.001 0.000 0.265 141 G HA3 0.337 4.298 3.960 0.001 0.000 0.265 141 G C -0.354 174.104 174.900 -0.736 0.000 1.026 141 G CA 0.099 44.778 45.100 -0.702 0.000 0.868 141 G HN 0.337 nan 8.290 nan 0.000 0.476 142 Y N 0.631 120.825 120.300 -0.176 0.000 2.736 142 Y HA 0.350 4.901 4.550 0.001 0.000 0.293 142 Y C 1.277 177.268 175.900 0.152 0.000 1.062 142 Y CA -1.289 56.815 58.100 0.006 0.000 1.247 142 Y CB 0.026 38.525 38.460 0.065 0.000 1.200 142 Y HN 0.091 nan 8.280 nan 0.000 0.552 143 Y N -0.439 119.947 120.300 0.143 0.000 2.274 143 Y HA -0.206 4.344 4.550 0.001 0.000 0.290 143 Y C 1.230 177.183 175.900 0.087 0.000 1.145 143 Y CA 0.110 58.293 58.100 0.138 0.000 1.203 143 Y CB -0.696 37.854 38.460 0.151 0.000 0.984 143 Y HN 0.223 nan 8.280 nan 0.000 0.533 144 N N 0.318 119.152 118.700 0.224 0.000 2.438 144 N HA 0.263 5.004 4.740 0.001 0.000 0.267 144 N C 0.972 176.544 175.510 0.102 0.000 1.222 144 N CA 1.298 54.426 53.050 0.129 0.000 0.930 144 N CB 0.298 38.841 38.487 0.093 0.000 1.083 144 N HN 0.488 nan 8.380 nan 0.000 0.476 145 G N 1.808 110.632 108.800 0.041 0.000 2.176 145 G HA2 -0.294 3.667 3.960 0.001 0.000 0.232 145 G HA3 -0.294 3.667 3.960 0.001 0.000 0.232 145 G C 0.854 175.675 174.900 -0.131 0.000 0.986 145 G CA 0.561 45.667 45.100 0.010 0.000 0.643 145 G HN 0.739 nan 8.290 nan 0.000 0.522 146 T N -2.116 112.302 114.554 -0.226 0.000 3.113 146 T HA 0.243 4.594 4.350 0.001 0.000 0.256 146 T C 1.844 176.264 174.700 -0.466 0.000 1.131 146 T CA 1.077 62.784 62.100 -0.655 0.000 1.074 146 T CB 0.005 68.733 68.868 -0.235 0.000 0.944 146 T HN 0.353 nan 8.240 nan 0.000 0.516 147 R N 0.751 121.069 120.500 -0.304 0.000 2.276 147 R HA 0.258 4.599 4.340 0.001 0.000 0.196 147 R C 1.535 177.717 176.300 -0.198 0.000 0.961 147 R CA 0.201 56.044 56.100 -0.429 0.000 1.024 147 R CB -0.078 29.981 30.300 -0.402 0.000 0.940 147 R HN 0.528 nan 8.270 nan 0.000 0.480 148 G N 0.007 108.758 108.800 -0.080 0.000 2.570 148 G HA2 -0.017 3.944 3.960 0.001 0.000 0.276 148 G HA3 -0.017 3.944 3.960 0.001 0.000 0.276 148 G C -0.094 174.896 174.900 0.151 0.000 1.346 148 G CA -0.266 44.852 45.100 0.029 0.000 1.034 148 G HN 0.010 nan 8.290 nan 0.000 0.512 149 D N -1.085 119.377 120.400 0.105 0.000 3.208 149 D HA 0.089 4.730 4.640 0.001 0.000 0.281 149 D C 0.685 177.004 176.300 0.031 0.000 1.328 149 D CA 0.279 54.342 54.000 0.104 0.000 1.102 149 D CB 0.498 41.324 40.800 0.044 0.000 1.267 149 D HN 0.251 nan 8.370 nan 0.000 0.405 150 R N 1.638 122.023 120.500 -0.191 0.000 2.215 150 R HA 0.429 4.769 4.340 0.001 0.000 0.337 150 R C -0.511 175.683 176.300 -0.177 0.000 1.010 150 R CA -0.359 55.450 56.100 -0.484 0.000 0.871 150 R CB 0.573 30.063 30.300 -1.349 0.000 1.134 150 R HN 0.217 nan 8.270 nan 0.000 0.477 151 N N -0.340 118.412 118.700 0.086 0.000 2.697 151 N HA 0.210 4.951 4.740 0.001 0.000 0.272 151 N C -0.215 175.447 175.510 0.254 0.000 1.381 151 N CA -1.166 51.975 53.050 0.153 0.000 0.797 151 N CB 1.190 39.775 38.487 0.163 0.000 1.523 151 N HN 0.082 nan 8.380 nan 0.000 0.518 152 K N -0.406 120.106 120.400 0.187 0.000 2.504 152 K HA 0.179 4.500 4.320 0.001 0.000 0.195 152 K C 0.621 177.322 176.600 0.169 0.000 1.036 152 K CA 0.736 57.123 56.287 0.167 0.000 0.984 152 K CB -0.315 32.248 32.500 0.104 0.000 0.788 152 K HN 0.464 nan 8.250 nan 0.000 0.488 153 L N -0.380 120.963 121.223 0.200 0.000 2.515 153 L HA 0.125 4.466 4.340 0.001 0.000 0.223 153 L C 0.741 177.908 176.870 0.495 0.000 1.079 153 L CA -0.359 54.626 54.840 0.242 0.000 0.857 153 L CB 0.218 42.358 42.059 0.134 0.000 1.050 153 L HN -0.055 nan 8.230 nan 0.000 0.476 154 R N 0.323 121.037 120.500 0.357 0.000 2.566 154 R HA 0.024 4.365 4.340 0.001 0.000 0.273 154 R C -1.012 175.481 176.300 0.322 0.000 0.981 154 R CA 0.779 57.048 56.100 0.282 0.000 1.091 154 R CB -0.027 30.388 30.300 0.191 0.000 0.924 154 R HN 0.065 nan 8.270 nan 0.000 0.411 155 H N 1.646 120.793 119.070 0.127 0.000 2.930 155 H HA 0.319 4.876 4.556 0.001 0.000 0.371 155 H C -1.296 174.024 175.328 -0.013 0.000 1.169 155 H CA -0.813 55.295 56.048 0.101 0.000 1.157 155 H CB 1.318 31.195 29.762 0.193 0.000 1.789 155 H HN 0.397 nan 8.280 nan 0.000 0.547 156 L N 4.033 125.303 121.223 0.079 0.000 2.367 156 L HA 0.430 4.771 4.340 0.001 0.000 0.275 156 L C -0.841 176.050 176.870 0.035 0.000 1.129 156 L CA -0.078 54.801 54.840 0.065 0.000 0.839 156 L CB -0.379 41.730 42.059 0.084 0.000 1.133 156 L HN 0.601 nan 8.230 nan 0.000 0.453 157 I N 1.920 122.454 120.570 -0.060 0.000 2.934 157 I HA 0.930 5.100 4.170 0.001 0.000 0.306 157 I C -0.521 175.527 176.117 -0.115 0.000 1.110 157 I CA -0.470 60.690 61.300 -0.233 0.000 1.019 157 I CB 2.190 39.808 38.000 -0.637 0.000 1.227 157 I HN 0.609 nan 8.210 nan 0.000 0.434 158 S N 2.531 118.100 115.700 -0.219 0.000 2.556 158 S HA 0.950 5.420 4.470 0.001 0.000 0.271 158 S C -0.808 173.562 174.600 -0.383 0.000 1.135 158 S CA -0.247 57.707 58.200 -0.411 0.000 0.858 158 S CB 1.668 64.551 63.200 -0.529 0.000 1.114 158 S HN 1.800 nan 8.310 nan 0.000 0.468 159 V N -0.781 118.887 119.914 -0.410 0.000 3.130 159 V HA 0.686 4.807 4.120 0.001 0.000 0.310 159 V C -0.335 175.596 176.094 -0.273 0.000 1.158 159 V CA -1.320 60.811 62.300 -0.282 0.000 1.029 159 V CB 1.525 33.226 31.823 -0.204 0.000 1.057 159 V HN 1.235 nan 8.190 nan 0.000 0.436 160 K N 1.806 122.093 120.400 -0.188 0.000 2.451 160 K HA 0.253 4.573 4.320 0.001 0.000 0.280 160 K C -0.285 176.258 176.600 -0.096 0.000 1.020 160 K CA -0.497 55.705 56.287 -0.141 0.000 1.008 160 K CB 0.753 33.200 32.500 -0.088 0.000 0.917 160 K HN 0.779 nan 8.250 nan 0.000 0.478 161 L N 4.868 126.041 121.223 -0.084 0.000 2.578 161 L HA 0.076 4.417 4.340 0.001 0.000 0.279 161 L C 1.046 177.900 176.870 -0.028 0.000 1.227 161 L CA 2.227 57.035 54.840 -0.052 0.000 0.900 161 L CB 0.248 42.270 42.059 -0.061 0.000 1.144 161 L HN 1.010 nan 8.230 nan 0.000 0.496 162 G N 2.610 111.401 108.800 -0.015 0.000 2.218 162 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 162 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 162 G C 0.187 175.088 174.900 0.001 0.000 0.994 162 G CA -0.121 44.977 45.100 -0.003 0.000 0.637 162 G HN 0.552 nan 8.290 nan 0.000 0.505 163 K N 1.014 121.410 120.400 -0.008 0.000 2.130 163 K HA 0.558 4.878 4.320 0.001 0.000 0.268 163 K C 0.515 177.114 176.600 -0.002 0.000 0.983 163 K CA -0.916 55.357 56.287 -0.024 0.000 0.893 163 K CB 1.565 34.030 32.500 -0.058 0.000 1.066 163 K HN 0.133 nan 8.250 nan 0.000 0.450 164 I N 4.881 125.445 120.570 -0.011 0.000 2.517 164 I HA 0.033 4.204 4.170 0.001 0.000 0.285 164 I C -1.877 174.203 176.117 -0.061 0.000 1.106 164 I CA -2.431 58.871 61.300 0.004 0.000 1.402 164 I CB 0.023 38.029 38.000 0.010 0.000 1.399 164 I HN 0.142 nan 8.210 nan 0.000 0.535 165 P HA 0.129 nan 4.420 nan 0.000 0.268 165 P C -0.105 177.108 177.300 -0.144 0.000 1.541 165 P CA -0.122 62.882 63.100 -0.160 0.000 1.093 165 P CB -0.170 31.379 31.700 -0.251 0.000 1.551 166 T N -1.455 113.028 114.554 -0.118 0.000 2.889 166 T HA 0.293 4.644 4.350 0.001 0.000 0.278 166 T C 1.376 176.035 174.700 -0.067 0.000 0.995 166 T CA -0.695 61.350 62.100 -0.092 0.000 0.966 166 T CB 0.305 69.121 68.868 -0.086 0.000 1.237 166 T HN -0.077 nan 8.240 nan 0.000 0.591 167 V N 1.059 120.956 119.914 -0.030 0.000 2.295 167 V HA -0.134 3.987 4.120 0.001 0.000 0.246 167 V C 2.709 178.813 176.094 0.017 0.000 1.049 167 V CA 2.048 64.360 62.300 0.020 0.000 1.024 167 V CB -0.918 30.913 31.823 0.014 0.000 0.648 167 V HN 0.899 nan 8.190 nan 0.000 0.447 168 E N -0.426 119.759 120.200 -0.025 0.000 2.230 168 E HA -0.108 4.243 4.350 0.001 0.000 0.192 168 E C 1.973 178.543 176.600 -0.050 0.000 0.987 168 E CA 0.619 56.997 56.400 -0.037 0.000 0.841 168 E CB -0.128 29.543 29.700 -0.048 0.000 0.783 168 E HN 0.508 nan 8.360 nan 0.000 0.481 169 N N 0.720 119.379 118.700 -0.068 0.000 2.250 169 N HA -0.020 4.721 4.740 0.001 0.000 0.181 169 N C 0.527 175.973 175.510 -0.108 0.000 1.017 169 N CA 0.397 53.394 53.050 -0.088 0.000 0.866 169 N CB 0.015 38.442 38.487 -0.100 0.000 0.985 169 N HN -0.092 nan 8.380 nan 0.000 0.429 170 S N 0.475 116.106 115.700 -0.116 0.000 2.576 170 S HA 0.157 4.627 4.470 0.001 0.000 0.272 170 S C 0.371 174.898 174.600 -0.121 0.000 1.352 170 S CA -0.246 57.848 58.200 -0.177 0.000 1.021 170 S CB 0.990 64.033 63.200 -0.261 0.000 0.887 170 S HN 0.218 nan 8.310 nan 0.000 0.542 171 I N 1.335 121.770 120.570 -0.225 0.000 2.509 171 I HA 0.470 4.641 4.170 0.001 0.000 0.293 171 I C -1.456 174.470 176.117 -0.318 0.000 1.020 171 I CA -1.014 60.158 61.300 -0.214 0.000 1.088 171 I CB 0.822 38.613 38.000 -0.348 0.000 1.267 171 I HN 0.483 nan 8.210 nan 0.000 0.430 172 F N 6.627 126.360 119.950 -0.361 0.000 2.424 172 F HA 0.308 4.836 4.527 0.001 0.000 0.356 172 F C 1.324 176.957 175.800 -0.278 0.000 1.110 172 F CA -0.339 57.512 58.000 -0.248 0.000 1.161 172 F CB 0.637 39.533 39.000 -0.174 0.000 1.115 172 F HN 0.556 nan 8.300 nan 0.000 0.507 173 H N 3.656 122.745 119.070 0.031 0.000 2.370 173 H HA 0.202 4.759 4.556 0.001 0.000 0.304 173 H C 0.436 175.798 175.328 0.057 0.000 1.055 173 H CA 1.239 57.216 56.048 -0.118 0.000 1.373 173 H CB 0.608 30.159 29.762 -0.352 0.000 1.423 173 H HN 0.591 nan 8.280 nan 0.000 0.533 174 M N -1.461 118.297 119.600 0.264 0.000 2.755 174 M HA 0.546 5.026 4.480 0.001 0.000 0.276 174 M C -1.728 174.483 176.300 -0.148 0.000 1.129 174 M CA -0.902 54.522 55.300 0.206 0.000 0.832 174 M CB 2.091 34.837 32.600 0.243 0.000 1.700 174 M HN -0.081 nan 8.290 nan 0.000 0.518 175 A N 1.784 124.355 122.820 -0.416 0.000 2.488 175 A HA 0.749 5.070 4.320 0.001 0.000 0.249 175 A C -0.012 177.347 177.584 -0.375 0.000 1.083 175 A CA 0.472 52.032 52.037 -0.795 0.000 0.768 175 A CB -0.514 18.228 19.000 -0.429 0.000 1.017 175 A HN 1.750 nan 8.150 nan 0.000 0.496 176 A N 2.677 125.317 122.820 -0.301 0.000 2.589 176 A HA 0.632 4.952 4.320 0.001 0.000 0.296 176 A C -0.197 177.332 177.584 -0.093 0.000 1.062 176 A CA -0.378 51.503 52.037 -0.260 0.000 0.686 176 A CB 0.681 19.583 19.000 -0.163 0.000 1.282 176 A HN 1.483 nan 8.150 nan 0.000 0.404 177 W N 1.102 122.404 121.300 0.002 0.000 2.846 177 W HA 0.558 5.219 4.660 0.001 0.000 0.391 177 W C -0.072 176.470 176.519 0.037 0.000 1.011 177 W CA 0.227 57.579 57.345 0.011 0.000 1.832 177 W CB 0.141 29.611 29.460 0.017 0.000 1.151 177 W HN 0.826 nan 8.180 nan 0.000 0.582 178 S N 0.430 116.201 115.700 0.118 0.000 2.543 178 S HA 0.711 5.181 4.470 0.001 0.000 0.273 178 S C -0.626 173.982 174.600 0.014 0.000 1.152 178 S CA 0.024 58.310 58.200 0.144 0.000 0.910 178 S CB 1.360 64.681 63.200 0.201 0.000 1.105 178 S HN 0.316 nan 8.310 nan 0.000 0.465 179 G N 1.120 109.948 108.800 0.047 0.000 2.725 179 G HA2 0.821 4.782 3.960 0.001 0.000 0.288 179 G HA3 0.821 4.782 3.960 0.001 0.000 0.288 179 G C -1.105 173.729 174.900 -0.111 0.000 1.399 179 G CA -0.311 44.807 45.100 0.030 0.000 0.859 179 G HN 1.134 nan 8.290 nan 0.000 0.479 180 S N -2.092 113.554 115.700 -0.089 0.000 2.627 180 S HA 0.864 5.335 4.470 0.001 0.000 0.268 180 S C -1.173 173.370 174.600 -0.096 0.000 1.130 180 S CA 0.530 58.550 58.200 -0.300 0.000 0.819 180 S CB 1.173 64.207 63.200 -0.277 0.000 1.100 180 S HN 2.427 nan 8.310 nan 0.000 0.465 181 A N 0.389 123.144 122.820 -0.108 0.000 2.586 181 A HA 0.882 5.202 4.320 0.001 0.000 0.290 181 A C -1.063 176.546 177.584 0.042 0.000 1.086 181 A CA -0.117 51.826 52.037 -0.157 0.000 0.665 181 A CB 0.541 19.138 19.000 -0.671 0.000 1.279 181 A HN 2.361 nan 8.150 nan 0.000 0.423 182 c N -1.032 117.635 118.600 0.111 0.000 3.292 182 c HA 0.742 5.313 4.570 0.001 0.000 0.368 182 c C -0.826 173.174 174.090 -0.149 0.000 1.141 182 c CA -0.748 55.633 56.329 0.087 0.000 1.194 182 c CB 0.141 42.676 42.510 0.043 0.000 1.533 182 c HN 1.346 nan 8.230 nan 0.000 0.532 183 H N 0.861 119.620 119.070 -0.519 0.000 2.472 183 H HA 0.586 5.143 4.556 0.001 0.000 0.335 183 H C 0.557 175.717 175.328 -0.280 0.000 1.136 183 H CA 0.485 56.097 56.048 -0.726 0.000 1.264 183 H CB 1.448 30.523 29.762 -1.146 0.000 1.486 183 H HN 0.841 nan 8.280 nan 0.000 0.517 184 D N 1.917 122.189 120.400 -0.214 0.000 2.431 184 D HA 0.174 4.815 4.640 0.001 0.000 0.213 184 D C 1.419 177.867 176.300 0.246 0.000 1.130 184 D CA 0.518 54.555 54.000 0.062 0.000 0.834 184 D CB 0.580 41.453 40.800 0.122 0.000 0.985 184 D HN 0.835 nan 8.370 nan 0.000 0.504 185 G N 0.970 109.965 108.800 0.324 0.000 2.349 185 G HA2 -0.321 3.640 3.960 0.001 0.000 0.213 185 G HA3 -0.321 3.640 3.960 0.001 0.000 0.213 185 G C 1.194 176.200 174.900 0.177 0.000 1.044 185 G CA 0.226 45.480 45.100 0.256 0.000 0.633 185 G HN 0.370 nan 8.290 nan 0.000 0.506 186 K N 0.155 120.550 120.400 -0.008 0.000 2.350 186 K HA 0.431 4.752 4.320 0.001 0.000 0.196 186 K C 0.609 177.054 176.600 -0.257 0.000 1.084 186 K CA 0.994 57.208 56.287 -0.121 0.000 0.967 186 K CB 0.828 33.183 32.500 -0.243 0.000 0.950 186 K HN 0.363 nan 8.250 nan 0.000 0.512 187 E N -0.898 118.923 120.200 -0.632 0.000 2.416 187 E HA 0.159 4.510 4.350 0.001 0.000 0.280 187 E C -1.960 174.025 176.600 -1.025 0.000 1.055 187 E CA -0.674 55.253 56.400 -0.787 0.000 0.825 187 E CB 0.525 29.750 29.700 -0.791 0.000 1.312 187 E HN -0.005 nan 8.360 nan 0.000 0.452 188 W N 1.674 122.567 121.300 -0.677 0.000 2.266 188 W HA 0.401 5.062 4.660 0.001 0.000 0.317 188 W C -0.036 176.058 176.519 -0.708 0.000 1.310 188 W CA -0.038 56.935 57.345 -0.619 0.000 1.207 188 W CB 1.483 30.589 29.460 -0.591 0.000 1.199 188 W HN 0.199 nan 8.180 nan 0.000 0.544 189 T N 4.074 118.466 114.554 -0.270 0.000 2.767 189 T HA 0.346 4.697 4.350 0.001 0.000 0.284 189 T C -1.136 173.362 174.700 -0.336 0.000 0.973 189 T CA -0.410 61.612 62.100 -0.131 0.000 0.996 189 T CB 0.285 69.177 68.868 0.041 0.000 0.927 189 T HN 0.055 nan 8.240 nan 0.000 0.456 190 Y N 2.290 122.608 120.300 0.030 0.000 2.341 190 Y HA 0.627 5.178 4.550 0.001 0.000 0.338 190 Y C -0.108 175.753 175.900 -0.065 0.000 0.965 190 Y CA -1.246 56.800 58.100 -0.090 0.000 1.108 190 Y CB 0.828 39.188 38.460 -0.166 0.000 1.180 190 Y HN 0.457 nan 8.280 nan 0.000 0.458 191 I N 2.458 123.057 120.570 0.049 0.000 2.441 191 I HA 0.755 4.926 4.170 0.001 0.000 0.295 191 I C 0.185 176.296 176.117 -0.011 0.000 0.994 191 I CA -0.244 61.058 61.300 0.004 0.000 1.144 191 I CB 2.062 40.033 38.000 -0.047 0.000 1.314 191 I HN 0.780 nan 8.210 nan 0.000 0.445 192 G N 5.043 113.821 108.800 -0.036 0.000 2.711 192 G HA2 0.567 4.528 3.960 0.001 0.000 0.288 192 G HA3 0.567 4.528 3.960 0.001 0.000 0.288 192 G C -1.668 173.112 174.900 -0.200 0.000 1.451 192 G CA -0.390 44.653 45.100 -0.096 0.000 1.186 192 G HN 0.312 nan 8.290 nan 0.000 0.560 193 V N 3.663 123.375 119.914 -0.337 0.000 2.394 193 V HA 0.610 4.730 4.120 0.001 0.000 0.282 193 V C -0.377 175.037 176.094 -1.133 0.000 1.031 193 V CA -0.430 61.532 62.300 -0.564 0.000 0.881 193 V CB 1.246 32.749 31.823 -0.534 0.000 0.982 193 V HN 0.959 nan 8.190 nan 0.000 0.451 194 D N 3.013 122.844 120.400 -0.948 0.000 2.781 194 D HA 0.815 5.456 4.640 0.001 0.000 0.295 194 D C -0.023 176.112 176.300 -0.275 0.000 1.143 194 D CA -0.036 53.311 54.000 -1.089 0.000 1.076 194 D CB 1.812 42.278 40.800 -0.557 0.000 1.444 194 D HN 1.085 nan 8.370 nan 0.000 0.567 195 G N -0.886 108.027 108.800 0.189 0.000 2.423 195 G HA2 0.165 4.126 3.960 0.001 0.000 0.684 195 G HA3 0.165 4.126 3.960 0.001 0.000 0.684 195 G C -2.951 172.178 174.900 0.381 0.000 1.309 195 G CA -0.508 44.737 45.100 0.243 0.000 0.950 195 G HN 0.643 nan 8.290 nan 0.000 0.587 196 P HA 0.205 nan 4.420 nan 0.000 0.271 196 P C 0.757 178.159 177.300 0.170 0.000 1.244 196 P CA 0.100 63.298 63.100 0.164 0.000 0.793 196 P CB 0.757 32.517 31.700 0.100 0.000 0.984 197 E N 0.447 120.684 120.200 0.061 0.000 2.110 197 E HA -0.196 4.155 4.350 0.001 0.000 0.193 197 E C 1.482 178.108 176.600 0.044 0.000 0.988 197 E CA 1.684 58.088 56.400 0.006 0.000 0.804 197 E CB -0.294 29.369 29.700 -0.062 0.000 0.745 197 E HN 0.650 nan 8.360 nan 0.000 0.458 198 N N -0.608 118.118 118.700 0.042 0.000 2.336 198 N HA -0.052 4.689 4.740 0.001 0.000 0.189 198 N C 0.622 176.161 175.510 0.048 0.000 1.113 198 N CA 0.169 53.238 53.050 0.032 0.000 0.858 198 N CB 0.407 38.906 38.487 0.019 0.000 0.970 198 N HN -0.116 nan 8.380 nan 0.000 0.471 199 N N 0.268 119.016 118.700 0.081 0.000 2.570 199 N HA 0.204 4.945 4.740 0.001 0.000 0.261 199 N C -0.945 174.644 175.510 0.132 0.000 1.540 199 N CA -0.197 52.909 53.050 0.093 0.000 0.959 199 N CB 0.563 39.096 38.487 0.075 0.000 1.449 199 N HN 0.353 nan 8.380 nan 0.000 0.519 200 A N 0.399 123.325 122.820 0.176 0.000 2.407 200 A HA 0.497 4.818 4.320 0.001 0.000 0.257 200 A C -0.170 177.470 177.584 0.094 0.000 1.131 200 A CA 0.138 52.301 52.037 0.210 0.000 0.803 200 A CB 0.254 19.492 19.000 0.397 0.000 1.083 200 A HN 0.485 nan 8.150 nan 0.000 0.512 201 L N -0.561 120.655 121.223 -0.011 0.000 2.580 201 L HA 0.539 4.880 4.340 0.001 0.000 0.266 201 L C -1.032 175.759 176.870 -0.132 0.000 0.955 201 L CA -0.287 54.512 54.840 -0.069 0.000 0.886 201 L CB 1.642 43.656 42.059 -0.075 0.000 1.263 201 L HN 0.726 nan 8.230 nan 0.000 0.406 202 L N 5.098 126.277 121.223 -0.074 0.000 2.331 202 L HA 0.492 4.833 4.340 0.001 0.000 0.278 202 L C -0.671 176.164 176.870 -0.057 0.000 1.106 202 L CA 0.154 54.953 54.840 -0.069 0.000 0.824 202 L CB 0.289 42.356 42.059 0.013 0.000 1.142 202 L HN 0.653 nan 8.230 nan 0.000 0.443 203 K N 6.143 126.511 120.400 -0.053 0.000 2.259 203 K HA 0.615 4.936 4.320 0.001 0.000 0.249 203 K C -1.272 175.355 176.600 0.045 0.000 0.942 203 K CA -0.687 55.605 56.287 0.008 0.000 0.816 203 K CB 2.420 34.940 32.500 0.033 0.000 1.155 203 K HN 0.480 nan 8.250 nan 0.000 0.428 204 I N 1.759 122.378 120.570 0.082 0.000 2.465 204 I HA 0.327 4.498 4.170 0.001 0.000 0.291 204 I C -0.651 175.539 176.117 0.122 0.000 1.014 204 I CA -0.703 60.647 61.300 0.084 0.000 1.093 204 I CB 1.936 39.962 38.000 0.044 0.000 1.267 204 I HN 0.421 nan 8.210 nan 0.000 0.431 205 K N 5.432 125.904 120.400 0.120 0.000 2.426 205 K HA 0.388 4.709 4.320 0.001 0.000 0.254 205 K C -1.921 174.818 176.600 0.231 0.000 0.936 205 K CA -0.657 55.663 56.287 0.055 0.000 0.801 205 K CB 1.675 34.099 32.500 -0.128 0.000 1.139 205 K HN 0.501 nan 8.250 nan 0.000 0.424 206 Y N 4.464 124.788 120.300 0.040 0.000 2.402 206 Y HA 0.334 4.885 4.550 0.001 0.000 0.332 206 Y C 0.663 176.625 175.900 0.103 0.000 0.960 206 Y CA 0.804 58.932 58.100 0.046 0.000 1.228 206 Y CB 1.009 39.480 38.460 0.018 0.000 1.120 206 Y HN 1.011 nan 8.280 nan 0.000 0.491 207 G N 4.877 113.654 108.800 -0.038 0.000 2.620 207 G HA2 -0.358 3.603 3.960 0.001 0.000 0.315 207 G HA3 -0.358 3.603 3.960 0.001 0.000 0.315 207 G C 0.972 175.987 174.900 0.192 0.000 1.179 207 G CA 0.837 45.999 45.100 0.103 0.000 0.971 207 G HN 0.517 nan 8.290 nan 0.000 0.544 208 E N 1.509 121.756 120.200 0.079 0.000 2.364 208 E HA 0.437 4.788 4.350 0.001 0.000 0.196 208 E C 1.502 178.081 176.600 -0.034 0.000 0.990 208 E CA 0.794 57.209 56.400 0.024 0.000 0.886 208 E CB 0.217 29.944 29.700 0.045 0.000 0.866 208 E HN 0.891 nan 8.360 nan 0.000 0.493 209 A N 0.915 123.749 122.820 0.023 0.000 2.331 209 A HA 0.403 4.724 4.320 0.001 0.000 0.283 209 A C -0.885 176.681 177.584 -0.030 0.000 1.142 209 A CA -0.365 51.707 52.037 0.057 0.000 0.812 209 A CB -0.018 19.062 19.000 0.133 0.000 1.074 209 A HN 0.001 nan 8.150 nan 0.000 0.497 210 Y N 1.509 121.878 120.300 0.115 0.000 2.393 210 Y HA 0.285 4.835 4.550 0.001 0.000 0.338 210 Y C 1.665 177.614 175.900 0.082 0.000 1.029 210 Y CA 0.671 58.830 58.100 0.097 0.000 1.239 210 Y CB 1.114 39.614 38.460 0.066 0.000 1.170 210 Y HN 0.790 nan 8.280 nan 0.000 0.515 211 T N -2.469 112.192 114.554 0.180 0.000 2.955 211 T HA 0.217 4.568 4.350 0.001 0.000 0.251 211 T C -0.033 174.710 174.700 0.072 0.000 1.002 211 T CA 0.101 62.265 62.100 0.107 0.000 0.970 211 T CB 0.585 69.493 68.868 0.066 0.000 1.091 211 T HN 0.498 nan 8.240 nan 0.000 0.495 212 D N 0.405 120.851 120.400 0.077 0.000 2.694 212 D HA 0.438 5.078 4.640 0.001 0.000 0.260 212 D C -1.447 174.877 176.300 0.041 0.000 1.250 212 D CA -0.036 53.993 54.000 0.048 0.000 0.763 212 D CB 2.096 42.910 40.800 0.024 0.000 1.311 212 D HN 0.339 nan 8.370 nan 0.000 0.420 213 T N -1.629 112.933 114.554 0.013 0.000 2.864 213 T HA 0.690 5.041 4.350 0.001 0.000 0.299 213 T C -1.598 173.091 174.700 -0.019 0.000 1.166 213 T CA -0.616 61.460 62.100 -0.040 0.000 1.007 213 T CB 1.688 70.466 68.868 -0.149 0.000 1.219 213 T HN 0.338 nan 8.240 nan 0.000 0.506 214 Y N 0.522 120.702 120.300 -0.199 0.000 2.524 214 Y HA 0.564 5.115 4.550 0.001 0.000 0.347 214 Y C -0.488 175.299 175.900 -0.188 0.000 1.005 214 Y CA -0.831 57.195 58.100 -0.124 0.000 1.025 214 Y CB 1.819 40.265 38.460 -0.024 0.000 1.275 214 Y HN 0.832 nan 8.280 nan 0.000 0.460 215 H N 2.064 120.966 119.070 -0.280 0.000 2.479 215 H HA 0.228 4.785 4.556 0.001 0.000 0.335 215 H C -0.300 175.040 175.328 0.021 0.000 1.142 215 H CA -0.548 55.437 56.048 -0.104 0.000 1.234 215 H CB 2.138 31.816 29.762 -0.140 0.000 1.503 215 H HN 0.623 nan 8.280 nan 0.000 0.510 216 S N 1.665 117.477 115.700 0.187 0.000 2.563 216 S HA -0.091 4.380 4.470 0.001 0.000 0.294 216 S C 0.570 175.252 174.600 0.137 0.000 1.279 216 S CA 0.130 58.401 58.200 0.117 0.000 1.069 216 S CB -0.153 63.088 63.200 0.068 0.000 0.828 216 S HN 0.660 nan 8.310 nan 0.000 0.497 217 Y N 2.257 122.620 120.300 0.104 0.000 2.432 217 Y HA 0.670 5.221 4.550 0.001 0.000 0.252 217 Y C 1.098 177.038 175.900 0.066 0.000 1.097 217 Y CA 0.001 58.150 58.100 0.081 0.000 1.250 217 Y CB -0.155 38.384 38.460 0.132 0.000 1.245 217 Y HN 0.598 nan 8.280 nan 0.000 0.522 218 A N 0.424 123.070 122.820 -0.290 0.000 2.571 218 A HA 0.270 4.591 4.320 0.001 0.000 0.274 218 A C 0.301 177.831 177.584 -0.090 0.000 1.196 218 A CA -0.181 51.781 52.037 -0.124 0.000 0.957 218 A CB -0.905 17.999 19.000 -0.161 0.000 1.150 218 A HN 0.476 nan 8.150 nan 0.000 0.539 219 N N 0.669 119.324 118.700 -0.076 0.000 2.708 219 N HA -0.198 4.543 4.740 0.001 0.000 0.251 219 N C -0.454 175.039 175.510 -0.029 0.000 1.017 219 N CA 1.084 54.117 53.050 -0.028 0.000 0.742 219 N CB -0.901 37.584 38.487 -0.003 0.000 0.943 219 N HN 0.457 nan 8.380 nan 0.000 0.539 220 N N 0.772 119.438 118.700 -0.055 0.000 2.685 220 N HA 0.298 5.039 4.740 0.001 0.000 0.252 220 N C -0.980 174.511 175.510 -0.032 0.000 1.261 220 N CA -0.482 52.545 53.050 -0.037 0.000 0.768 220 N CB 0.203 38.668 38.487 -0.037 0.000 1.304 220 N HN 0.279 nan 8.380 nan 0.000 0.536 221 I N 0.969 121.546 120.570 0.012 0.000 7.533 221 I HA -0.321 3.850 4.170 0.001 0.000 0.126 221 I C -0.234 175.956 176.117 0.122 0.000 1.830 221 I CA 0.005 61.347 61.300 0.070 0.000 2.068 221 I CB -0.588 37.398 38.000 -0.024 0.000 3.648 221 I HN 0.367 nan 8.210 nan 0.000 0.179 222 L N 6.049 127.373 121.223 0.169 0.000 2.534 222 L HA 0.294 4.635 4.340 0.001 0.000 0.271 222 L C 0.694 177.691 176.870 0.212 0.000 1.178 222 L CA 0.988 55.896 54.840 0.114 0.000 0.907 222 L CB 0.272 42.394 42.059 0.104 0.000 1.164 222 L HN 0.332 nan 8.230 nan 0.000 0.482 223 R N 2.605 123.186 120.500 0.136 0.000 2.854 223 R HA 0.717 5.058 4.340 0.001 0.000 0.271 223 R C -0.356 175.975 176.300 0.051 0.000 0.996 223 R CA -0.451 55.737 56.100 0.147 0.000 0.961 223 R CB 2.047 32.425 30.300 0.129 0.000 1.182 223 R HN 0.735 nan 8.270 nan 0.000 0.479 224 T N -1.091 113.480 114.554 0.029 0.000 2.676 224 T HA 0.153 4.504 4.350 0.001 0.000 0.269 224 T C 0.614 175.279 174.700 -0.058 0.000 0.952 224 T CA -0.409 61.663 62.100 -0.046 0.000 1.040 224 T CB 1.410 70.229 68.868 -0.081 0.000 1.352 224 T HN 0.573 nan 8.240 nan 0.000 0.554 225 Q N -0.251 119.475 119.800 -0.123 0.000 2.170 225 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 225 Q C 0.145 176.061 176.000 -0.141 0.000 0.976 225 Q CA 1.525 57.244 55.803 -0.140 0.000 0.858 225 Q CB -0.055 28.576 28.738 -0.178 0.000 0.907 225 Q HN 0.684 nan 8.270 nan 0.000 0.433 226 E N -0.979 119.109 120.200 -0.188 0.000 3.170 226 E HA -0.178 4.173 4.350 0.001 0.000 0.284 226 E C -1.098 175.214 176.600 -0.479 0.000 0.967 226 E CA 0.978 57.275 56.400 -0.172 0.000 0.919 226 E CB -1.292 28.478 29.700 0.117 0.000 1.469 226 E HN 0.470 nan 8.360 nan 0.000 0.444 227 S N -2.823 112.423 115.700 -0.756 0.000 2.672 227 S HA 0.812 5.283 4.470 0.001 0.000 0.271 227 S C -0.066 174.086 174.600 -0.747 0.000 1.171 227 S CA -0.883 56.739 58.200 -0.963 0.000 0.817 227 S CB 1.253 64.328 63.200 -0.208 0.000 1.150 227 S HN 0.657 nan 8.310 nan 0.000 0.478 228 A N 0.544 123.200 122.820 -0.274 0.000 2.587 228 A HA 0.414 4.734 4.320 0.001 0.000 0.235 228 A C 0.979 178.541 177.584 -0.036 0.000 1.044 228 A CA 0.059 52.098 52.037 0.003 0.000 0.754 228 A CB -1.537 17.602 19.000 0.231 0.000 0.968 228 A HN 1.570 nan 8.150 nan 0.000 0.509 229 c N 1.843 120.427 118.600 -0.026 0.000 2.574 229 c HA 0.643 5.214 4.570 0.001 0.000 0.335 229 c C 0.254 174.362 174.090 0.030 0.000 1.493 229 c CA -1.321 55.002 56.329 -0.010 0.000 2.217 229 c CB 0.157 42.652 42.510 -0.024 0.000 2.056 229 c HN 0.799 nan 8.230 nan 0.000 0.607 230 N N -0.331 118.384 118.700 0.025 0.000 2.480 230 N HA 0.391 5.132 4.740 0.001 0.000 0.289 230 N C -1.662 173.981 175.510 0.221 0.000 1.073 230 N CA -0.138 52.936 53.050 0.039 0.000 0.885 230 N CB 1.736 39.977 38.487 -0.410 0.000 1.421 230 N HN 0.746 nan 8.380 nan 0.000 0.503 231 c N 2.509 121.297 118.600 0.312 0.000 2.329 231 c HA 0.646 5.217 4.570 0.001 0.000 0.329 231 c C 0.571 174.765 174.090 0.173 0.000 1.275 231 c CA -0.839 55.608 56.329 0.196 0.000 1.726 231 c CB -0.073 42.451 42.510 0.024 0.000 2.291 231 c HN 0.689 nan 8.230 nan 0.000 0.514 232 I N 2.176 122.780 120.570 0.057 0.000 2.478 232 I HA 0.586 4.757 4.170 0.001 0.000 0.287 232 I C 0.781 176.620 176.117 -0.462 0.000 1.042 232 I CA 0.561 61.699 61.300 -0.270 0.000 1.067 232 I CB 1.188 39.100 38.000 -0.147 0.000 1.233 232 I HN 0.974 nan 8.210 nan 0.000 0.431 233 G N 4.772 113.005 108.800 -0.945 0.000 2.305 233 G HA2 -0.145 3.816 3.960 0.001 0.000 0.287 233 G HA3 -0.145 3.816 3.960 0.001 0.000 0.287 233 G C 1.030 175.284 174.900 -1.077 0.000 1.036 233 G CA 0.462 45.090 45.100 -0.787 0.000 0.887 233 G HN 2.013 nan 8.290 nan 0.000 0.505 234 G N -1.369 106.735 108.800 -1.159 0.000 2.179 234 G HA2 -0.312 3.649 3.960 0.001 0.000 0.260 234 G HA3 -0.312 3.649 3.960 0.001 0.000 0.260 234 G C 0.187 174.556 174.900 -0.884 0.000 0.977 234 G CA 0.473 44.551 45.100 -1.704 0.000 0.641 234 G HN 1.132 nan 8.290 nan 0.000 0.533 235 N N 0.743 119.107 118.700 -0.560 0.000 2.527 235 N HA 0.404 5.145 4.740 0.001 0.000 0.236 235 N C 0.053 175.374 175.510 -0.314 0.000 0.999 235 N CA 0.025 52.818 53.050 -0.429 0.000 0.935 235 N CB 0.886 39.158 38.487 -0.357 0.000 1.132 235 N HN 0.264 nan 8.380 nan 0.000 0.511 236 c N 2.730 121.148 118.600 -0.304 0.000 2.499 236 c HA 0.318 4.889 4.570 0.001 0.000 0.386 236 c C 0.321 174.248 174.090 -0.271 0.000 1.293 236 c CA -0.630 55.603 56.329 -0.161 0.000 1.884 236 c CB -1.577 40.867 42.510 -0.110 0.000 2.509 236 c HN 0.513 nan 8.230 nan 0.000 0.566 237 Y N 2.560 122.824 120.300 -0.060 0.000 2.342 237 Y HA 0.642 5.192 4.550 0.001 0.000 0.334 237 Y C 0.040 175.958 175.900 0.029 0.000 1.067 237 Y CA -0.660 57.420 58.100 -0.033 0.000 1.128 237 Y CB 1.077 39.484 38.460 -0.089 0.000 1.200 237 Y HN 0.555 nan 8.280 nan 0.000 0.464 238 L N 5.114 126.461 121.223 0.208 0.000 2.438 238 L HA 0.484 4.825 4.340 0.001 0.000 0.270 238 L C -1.037 175.792 176.870 -0.068 0.000 0.972 238 L CA -0.814 54.064 54.840 0.064 0.000 0.831 238 L CB 1.642 43.663 42.059 -0.064 0.000 1.273 238 L HN 0.697 nan 8.230 nan 0.000 0.405 239 M N 6.568 125.989 119.600 -0.298 0.000 2.217 239 M HA 0.437 4.918 4.480 0.001 0.000 0.354 239 M C -0.936 175.123 176.300 -0.401 0.000 1.225 239 M CA -0.232 54.582 55.300 -0.809 0.000 1.137 239 M CB 0.561 32.668 32.600 -0.823 0.000 1.576 239 M HN 0.725 nan 8.290 nan 0.000 0.461 240 I N 1.330 121.683 120.570 -0.362 0.000 2.689 240 I HA 0.715 4.886 4.170 0.001 0.000 0.299 240 I C -0.833 175.254 176.117 -0.051 0.000 1.059 240 I CA -0.549 60.664 61.300 -0.145 0.000 1.055 240 I CB 2.478 40.433 38.000 -0.074 0.000 1.243 240 I HN 0.572 nan 8.210 nan 0.000 0.425 241 T N 2.002 116.569 114.554 0.022 0.000 2.896 241 T HA 0.464 4.814 4.350 0.001 0.000 0.297 241 T C -1.834 172.859 174.700 -0.011 0.000 1.108 241 T CA -0.253 61.880 62.100 0.056 0.000 1.004 241 T CB 1.752 70.605 68.868 -0.026 0.000 1.159 241 T HN 0.832 nan 8.240 nan 0.000 0.499 242 D N 0.059 120.384 120.400 -0.125 0.000 2.947 242 D HA 0.688 5.329 4.640 0.001 0.000 0.224 242 D C -0.305 175.862 176.300 -0.222 0.000 1.230 242 D CA 0.526 54.327 54.000 -0.333 0.000 0.871 242 D CB 1.910 42.083 40.800 -1.045 0.000 1.671 242 D HN 1.044 nan 8.370 nan 0.000 0.507 243 G N 0.634 109.342 108.800 -0.153 0.000 2.369 243 G HA2 0.293 4.254 3.960 0.001 0.000 0.307 243 G HA3 0.293 4.254 3.960 0.001 0.000 0.307 243 G C -0.967 173.900 174.900 -0.055 0.000 1.327 243 G CA -0.259 44.784 45.100 -0.095 0.000 0.963 243 G HN 0.445 nan 8.290 nan 0.000 0.590 244 S N -0.644 115.048 115.700 -0.014 0.000 2.585 244 S HA 0.527 4.998 4.470 0.001 0.000 0.273 244 S C 1.802 176.442 174.600 0.066 0.000 1.339 244 S CA 0.940 59.150 58.200 0.017 0.000 1.028 244 S CB 1.022 64.238 63.200 0.028 0.000 0.906 244 S HN 2.071 nan 8.310 nan 0.000 0.528 245 A N 3.073 125.931 122.820 0.064 0.000 2.119 245 A HA 0.107 4.428 4.320 0.001 0.000 0.217 245 A C 1.564 179.187 177.584 0.066 0.000 1.153 245 A CA 1.293 53.393 52.037 0.106 0.000 0.692 245 A CB -0.254 18.774 19.000 0.045 0.000 0.799 245 A HN 0.762 nan 8.150 nan 0.000 0.458 246 S N -1.659 114.044 115.700 0.005 0.000 2.846 246 S HA 0.502 4.973 4.470 0.001 0.000 0.249 246 S C 0.534 175.054 174.600 -0.133 0.000 1.028 246 S CA 0.028 58.165 58.200 -0.106 0.000 1.043 246 S CB 0.682 63.834 63.200 -0.080 0.000 0.990 246 S HN 0.816 nan 8.310 nan 0.000 0.564 247 G N 1.025 109.819 108.800 -0.011 0.000 2.871 247 G HA2 0.540 4.500 3.960 0.001 0.000 0.282 247 G HA3 0.540 4.500 3.960 0.001 0.000 0.282 247 G C -1.216 173.851 174.900 0.278 0.000 1.212 247 G CA -0.794 44.360 45.100 0.090 0.000 0.812 247 G HN 0.120 nan 8.290 nan 0.000 0.547 248 I N 1.625 122.347 120.570 0.254 0.000 2.668 248 I HA 0.236 4.406 4.170 0.001 0.000 0.285 248 I C 0.166 176.306 176.117 0.039 0.000 1.168 248 I CA 0.535 61.959 61.300 0.207 0.000 1.424 248 I CB 0.525 38.606 38.000 0.134 0.000 1.377 248 I HN 0.136 nan 8.210 nan 0.000 0.560 249 S N 5.297 120.927 115.700 -0.116 0.000 2.235 249 S HA 0.123 4.594 4.470 0.001 0.000 0.152 249 S C 0.160 174.684 174.600 -0.128 0.000 1.649 249 S CA -0.636 57.401 58.200 -0.272 0.000 1.277 249 S CB 0.022 62.777 63.200 -0.741 0.000 1.299 249 S HN 0.603 nan 8.310 nan 0.000 0.388 250 E N 2.240 122.459 120.200 0.032 0.000 2.383 250 E HA 0.070 4.421 4.350 0.001 0.000 0.257 250 E C 0.682 177.388 176.600 0.176 0.000 1.079 250 E CA -0.203 56.263 56.400 0.109 0.000 0.934 250 E CB 0.162 29.950 29.700 0.148 0.000 0.978 250 E HN 0.722 nan 8.360 nan 0.000 0.462 251 C N 3.759 123.122 119.300 0.105 0.000 2.470 251 C HA 0.667 5.128 4.460 0.001 0.000 0.350 251 C C 0.191 175.220 174.990 0.065 0.000 1.341 251 C CA -0.705 58.360 59.018 0.079 0.000 2.440 251 C CB 0.508 28.217 27.740 -0.051 0.000 2.295 251 C HN 0.879 nan 8.230 nan 0.000 0.645 252 R N -0.414 120.053 120.500 -0.056 0.000 2.739 252 R HA 0.667 5.007 4.340 0.001 0.000 0.271 252 R C -1.815 174.318 176.300 -0.279 0.000 1.010 252 R CA -0.448 55.597 56.100 -0.093 0.000 0.897 252 R CB 1.686 31.884 30.300 -0.170 0.000 1.236 252 R HN 0.758 nan 8.270 nan 0.000 0.466 253 F N 1.622 121.474 119.950 -0.163 0.000 2.495 253 F HA 0.498 5.026 4.527 0.001 0.000 0.327 253 F C -0.265 175.389 175.800 -0.244 0.000 1.103 253 F CA -0.666 57.245 58.000 -0.150 0.000 0.949 253 F CB 1.465 40.427 39.000 -0.063 0.000 1.142 253 F HN 0.028 nan 8.300 nan 0.000 0.457 254 L N 3.084 124.259 121.223 -0.079 0.000 2.322 254 L HA 0.499 4.839 4.340 0.001 0.000 0.279 254 L C -0.369 176.400 176.870 -0.167 0.000 1.036 254 L CA -0.934 53.782 54.840 -0.208 0.000 0.807 254 L CB 1.869 43.750 42.059 -0.298 0.000 1.226 254 L HN 0.518 nan 8.230 nan 0.000 0.433 255 K N 3.877 124.119 120.400 -0.264 0.000 2.293 255 K HA 0.605 4.926 4.320 0.001 0.000 0.267 255 K C -1.241 175.135 176.600 -0.374 0.000 1.010 255 K CA -0.421 55.577 56.287 -0.481 0.000 0.875 255 K CB 1.012 33.209 32.500 -0.505 0.000 1.106 255 K HN 0.506 nan 8.250 nan 0.000 0.450 256 I N 4.013 124.352 120.570 -0.386 0.000 2.433 256 I HA 0.407 4.578 4.170 0.001 0.000 0.292 256 I C -0.364 175.566 176.117 -0.311 0.000 1.001 256 I CA -0.896 60.237 61.300 -0.279 0.000 1.119 256 I CB 1.965 39.842 38.000 -0.204 0.000 1.289 256 I HN 0.507 nan 8.210 nan 0.000 0.438 257 R N 4.987 125.311 120.500 -0.293 0.000 2.476 257 R HA 0.320 4.661 4.340 0.001 0.000 0.305 257 R C -0.365 175.714 176.300 -0.369 0.000 0.965 257 R CA -0.377 55.524 56.100 -0.332 0.000 0.867 257 R CB 0.984 31.108 30.300 -0.294 0.000 1.176 257 R HN 0.677 nan 8.270 nan 0.000 0.447 258 E N 2.559 122.452 120.200 -0.511 0.000 2.403 258 E HA -0.272 4.079 4.350 0.001 0.000 0.241 258 E C 0.477 176.484 176.600 -0.988 0.000 1.201 258 E CA 1.094 56.891 56.400 -1.004 0.000 0.721 258 E CB -0.977 28.434 29.700 -0.482 0.000 1.245 258 E HN 1.136 nan 8.360 nan 0.000 0.392 259 G N -0.474 107.939 108.800 -0.645 0.000 2.157 259 G HA2 -0.345 3.615 3.960 0.001 0.000 0.248 259 G HA3 -0.345 3.615 3.960 0.001 0.000 0.248 259 G C 0.088 174.893 174.900 -0.159 0.000 0.979 259 G CA 0.328 45.253 45.100 -0.291 0.000 0.650 259 G HN 0.255 nan 8.290 nan 0.000 0.529 260 R N -0.455 119.933 120.500 -0.187 0.000 2.599 260 R HA 0.599 4.940 4.340 0.001 0.000 0.295 260 R C 0.142 176.371 176.300 -0.118 0.000 0.963 260 R CA -1.012 55.022 56.100 -0.110 0.000 0.883 260 R CB 1.572 31.816 30.300 -0.093 0.000 1.171 260 R HN 0.220 nan 8.270 nan 0.000 0.450 261 I N 4.660 125.187 120.570 -0.072 0.000 2.533 261 I HA 0.031 4.202 4.170 0.001 0.000 0.284 261 I C 1.560 177.633 176.117 -0.074 0.000 1.109 261 I CA 0.414 61.667 61.300 -0.079 0.000 1.412 261 I CB 0.584 38.576 38.000 -0.012 0.000 1.396 261 I HN 0.698 nan 8.210 nan 0.000 0.543 262 I N 2.270 122.771 120.570 -0.116 0.000 4.327 262 I HA 0.423 4.593 4.170 0.001 0.000 0.331 262 I C 0.270 176.333 176.117 -0.091 0.000 1.348 262 I CA -0.142 61.100 61.300 -0.097 0.000 1.152 262 I CB 0.311 38.238 38.000 -0.122 0.000 1.151 262 I HN 0.440 nan 8.210 nan 0.000 0.410 263 K N 1.783 122.113 120.400 -0.116 0.000 2.572 263 K HA 0.402 4.723 4.320 0.001 0.000 0.263 263 K C -1.432 175.068 176.600 -0.166 0.000 0.932 263 K CA -0.424 55.795 56.287 -0.114 0.000 0.838 263 K CB 2.472 34.906 32.500 -0.110 0.000 1.366 263 K HN 0.099 nan 8.250 nan 0.000 0.425 264 E N 3.597 123.673 120.200 -0.207 0.000 2.156 264 E HA 0.343 4.694 4.350 0.001 0.000 0.279 264 E C -0.685 175.495 176.600 -0.700 0.000 0.965 264 E CA -0.477 55.665 56.400 -0.429 0.000 0.789 264 E CB 1.510 30.976 29.700 -0.390 0.000 1.098 264 E HN 0.334 nan 8.360 nan 0.000 0.397 265 I N 3.892 124.114 120.570 -0.580 0.000 2.339 265 I HA 0.253 4.424 4.170 0.001 0.000 0.290 265 I C -0.832 175.000 176.117 -0.474 0.000 0.994 265 I CA -0.771 60.274 61.300 -0.425 0.000 1.191 265 I CB 0.560 38.499 38.000 -0.101 0.000 1.343 265 I HN 0.375 nan 8.210 nan 0.000 0.458 266 F N 6.877 126.858 119.950 0.052 0.000 2.350 266 F HA 0.462 4.989 4.527 0.001 0.000 0.365 266 F C -1.976 173.864 175.800 0.067 0.000 1.122 266 F CA -2.616 55.409 58.000 0.042 0.000 1.139 266 F CB -0.038 38.968 39.000 0.011 0.000 1.220 266 F HN 0.232 nan 8.300 nan 0.000 0.499 267 P HA 0.287 nan 4.420 nan 0.000 0.273 267 P C -0.073 177.315 177.300 0.147 0.000 1.250 267 P CA -0.332 62.877 63.100 0.182 0.000 0.793 267 P CB 0.770 32.603 31.700 0.222 0.000 1.011 268 T N -3.237 111.380 114.554 0.106 0.000 2.888 268 T HA 0.719 5.069 4.350 0.001 0.000 0.288 268 T C 0.393 175.104 174.700 0.018 0.000 1.063 268 T CA -0.022 62.115 62.100 0.062 0.000 1.010 268 T CB 1.382 70.282 68.868 0.053 0.000 1.214 268 T HN 0.763 nan 8.240 nan 0.000 0.533 269 G N 1.022 109.807 108.800 -0.025 0.000 2.496 269 G HA2 -0.164 3.796 3.960 0.001 0.000 0.243 269 G HA3 -0.164 3.796 3.960 0.001 0.000 0.243 269 G C -0.278 174.576 174.900 -0.076 0.000 1.176 269 G CA -0.188 44.856 45.100 -0.092 0.000 0.940 269 G HN 0.892 nan 8.290 nan 0.000 0.573 270 R N 1.510 121.944 120.500 -0.109 0.000 2.441 270 R HA 0.340 4.680 4.340 0.001 0.000 0.300 270 R C 1.336 177.633 176.300 -0.006 0.000 1.284 270 R CA 0.810 56.867 56.100 -0.072 0.000 1.069 270 R CB -0.209 30.030 30.300 -0.101 0.000 1.087 270 R HN 1.261 nan 8.270 nan 0.000 0.519 271 V N 1.411 121.332 119.914 0.012 0.000 3.380 271 V HA 0.156 4.277 4.120 0.001 0.000 0.307 271 V C 1.927 178.060 176.094 0.066 0.000 1.434 271 V CA -0.196 62.138 62.300 0.055 0.000 1.075 271 V CB 0.125 31.985 31.823 0.062 0.000 0.954 271 V HN 0.477 nan 8.190 nan 0.000 0.444 272 K N 1.242 121.667 120.400 0.043 0.000 2.052 272 K HA -0.233 4.088 4.320 0.001 0.000 0.215 272 K C 0.683 177.415 176.600 0.219 0.000 1.053 272 K CA 2.368 58.688 56.287 0.055 0.000 0.934 272 K CB -0.153 32.293 32.500 -0.090 0.000 0.717 272 K HN 0.807 nan 8.250 nan 0.000 0.450 273 H N -1.490 117.662 119.070 0.137 0.000 3.128 273 H HA 0.243 4.800 4.556 0.001 0.000 0.336 273 H C -1.893 173.501 175.328 0.110 0.000 1.026 273 H CA -0.685 55.460 56.048 0.163 0.000 1.376 273 H CB 1.872 31.788 29.762 0.257 0.000 1.882 273 H HN 0.041 nan 8.280 nan 0.000 0.479 274 T N 4.621 119.269 114.554 0.157 0.000 3.172 274 T HA 0.304 4.655 4.350 0.001 0.000 0.320 274 T C -1.425 173.309 174.700 0.058 0.000 1.085 274 T CA -0.961 61.233 62.100 0.157 0.000 1.052 274 T CB 1.651 70.580 68.868 0.101 0.000 1.107 274 T HN 0.730 nan 8.240 nan 0.000 0.458 275 E N 1.261 121.518 120.200 0.095 0.000 2.392 275 E HA 0.519 4.870 4.350 0.001 0.000 0.279 275 E C -1.126 175.490 176.600 0.025 0.000 0.964 275 E CA -1.120 55.305 56.400 0.042 0.000 0.777 275 E CB 1.324 31.071 29.700 0.079 0.000 1.249 275 E HN 0.563 nan 8.360 nan 0.000 0.449 276 E N -0.059 120.136 120.200 -0.009 0.000 2.297 276 E HA -0.193 4.158 4.350 0.001 0.000 0.228 276 E C -0.719 175.864 176.600 -0.028 0.000 1.213 276 E CA 0.574 56.952 56.400 -0.037 0.000 0.712 276 E CB -2.141 27.511 29.700 -0.079 0.000 1.202 276 E HN 0.518 nan 8.360 nan 0.000 0.376 277 c N 1.098 119.684 118.600 -0.023 0.000 2.634 277 c HA 0.085 4.655 4.570 0.001 0.000 0.418 277 c C 1.316 175.435 174.090 0.048 0.000 1.373 277 c CA 0.045 56.387 56.329 0.022 0.000 1.756 277 c CB -0.211 42.319 42.510 0.034 0.000 2.589 277 c HN 0.277 nan 8.230 nan 0.000 0.602 278 T N 3.882 118.506 114.554 0.117 0.000 2.762 278 T HA 0.315 4.666 4.350 0.001 0.000 0.303 278 T C -0.015 174.817 174.700 0.220 0.000 0.977 278 T CA -0.226 61.978 62.100 0.174 0.000 0.961 278 T CB 0.010 69.031 68.868 0.254 0.000 0.944 278 T HN 0.789 nan 8.240 nan 0.000 0.481 279 c N 2.953 121.625 118.600 0.120 0.000 2.391 279 c HA 0.993 5.564 4.570 0.001 0.000 0.339 279 c C 1.069 175.143 174.090 -0.027 0.000 1.205 279 c CA -0.596 55.779 56.329 0.076 0.000 1.937 279 c CB 0.867 43.409 42.510 0.053 0.000 2.341 279 c HN 1.069 nan 8.230 nan 0.000 0.516 280 G N 0.252 109.021 108.800 -0.052 0.000 2.684 280 G HA2 0.656 4.617 3.960 0.001 0.000 0.290 280 G HA3 0.656 4.617 3.960 0.001 0.000 0.290 280 G C -1.536 173.312 174.900 -0.086 0.000 1.425 280 G CA -0.470 44.609 45.100 -0.034 0.000 0.822 280 G HN 0.445 nan 8.290 nan 0.000 0.482 281 F N 1.524 121.473 119.950 -0.001 0.000 2.438 281 F HA 0.444 4.972 4.527 0.001 0.000 0.360 281 F C 1.515 177.010 175.800 -0.509 0.000 1.118 281 F CA 0.166 58.057 58.000 -0.182 0.000 1.164 281 F CB 1.746 40.691 39.000 -0.092 0.000 1.131 281 F HN 0.558 nan 8.300 nan 0.000 0.527 282 A N 2.488 124.961 122.820 -0.578 0.000 2.067 282 A HA 0.202 4.523 4.320 0.001 0.000 0.217 282 A C 0.934 178.404 177.584 -0.191 0.000 1.156 282 A CA 1.233 52.869 52.037 -0.668 0.000 0.683 282 A CB -0.245 18.494 19.000 -0.434 0.000 0.808 282 A HN 0.701 nan 8.150 nan 0.000 0.455 283 S N -3.242 112.425 115.700 -0.056 0.000 2.694 283 S HA 0.223 4.694 4.470 0.001 0.000 0.273 283 S C 0.080 174.682 174.600 0.003 0.000 1.180 283 S CA -0.207 57.982 58.200 -0.019 0.000 0.864 283 S CB -0.051 63.131 63.200 -0.030 0.000 1.198 283 S HN 0.021 nan 8.310 nan 0.000 0.499 284 N N 0.963 119.634 118.700 -0.048 0.000 2.348 284 N HA -0.033 4.708 4.740 0.001 0.000 0.185 284 N C 1.638 177.140 175.510 -0.014 0.000 1.019 284 N CA 1.720 54.730 53.050 -0.066 0.000 0.880 284 N CB -0.533 37.924 38.487 -0.050 0.000 0.965 284 N HN 0.804 nan 8.380 nan 0.000 0.437 285 K N -0.270 120.125 120.400 -0.008 0.000 2.334 285 K HA 0.158 4.479 4.320 0.001 0.000 0.195 285 K C 0.678 177.256 176.600 -0.037 0.000 1.045 285 K CA 0.567 56.843 56.287 -0.018 0.000 1.004 285 K CB 0.143 32.628 32.500 -0.025 0.000 0.837 285 K HN 0.115 nan 8.250 nan 0.000 0.510 286 T N 0.664 115.208 114.554 -0.017 0.000 2.937 286 T HA 0.555 4.905 4.350 0.001 0.000 0.297 286 T C -0.727 173.916 174.700 -0.094 0.000 0.991 286 T CA -0.401 61.652 62.100 -0.079 0.000 0.990 286 T CB 1.268 70.088 68.868 -0.081 0.000 0.991 286 T HN 0.270 nan 8.240 nan 0.000 0.440 287 I N 2.826 123.254 120.570 -0.237 0.000 2.396 287 I HA 0.377 4.548 4.170 0.001 0.000 0.292 287 I C 0.412 176.404 176.117 -0.208 0.000 0.999 287 I CA -0.458 60.640 61.300 -0.337 0.000 1.310 287 I CB 1.160 38.833 38.000 -0.545 0.000 1.404 287 I HN 0.549 nan 8.210 nan 0.000 0.496 288 E N 4.778 124.943 120.200 -0.058 0.000 2.238 288 E HA 0.573 4.923 4.350 0.001 0.000 0.267 288 E C -1.591 175.045 176.600 0.059 0.000 0.887 288 E CA -0.716 55.678 56.400 -0.010 0.000 0.769 288 E CB 2.296 32.164 29.700 0.280 0.000 1.187 288 E HN 0.505 nan 8.360 nan 0.000 0.416 289 c N 1.503 119.954 118.600 -0.249 0.000 2.698 289 c HA 0.815 5.386 4.570 0.001 0.000 0.309 289 c C -0.300 173.564 174.090 -0.375 0.000 1.186 289 c CA -0.833 55.456 56.329 -0.067 0.000 1.474 289 c CB 1.051 43.609 42.510 0.081 0.000 2.020 289 c HN 0.797 nan 8.230 nan 0.000 0.474 290 A N 1.423 124.163 122.820 -0.134 0.000 2.273 290 A HA 0.792 5.112 4.320 0.001 0.000 0.315 290 A C -0.271 177.333 177.584 0.033 0.000 1.256 290 A CA -0.204 51.767 52.037 -0.110 0.000 0.851 290 A CB 0.106 19.025 19.000 -0.135 0.000 1.172 290 A HN 1.012 nan 8.150 nan 0.000 0.508 291 c N 0.745 119.372 118.600 0.046 0.000 2.967 291 c HA 0.803 5.374 4.570 0.001 0.000 0.372 291 c C 0.355 174.477 174.090 0.054 0.000 1.455 291 c CA -0.883 55.478 56.329 0.052 0.000 1.638 291 c CB 1.415 43.964 42.510 0.065 0.000 2.096 291 c HN 0.942 nan 8.230 nan 0.000 0.466 292 R N 1.139 121.674 120.500 0.057 0.000 2.338 292 R HA 0.434 4.775 4.340 0.001 0.000 0.317 292 R C -1.599 174.764 176.300 0.105 0.000 0.968 292 R CA -0.032 56.098 56.100 0.050 0.000 0.849 292 R CB 0.814 31.130 30.300 0.026 0.000 1.128 292 R HN 0.848 nan 8.270 nan 0.000 0.448 293 D N 2.961 123.377 120.400 0.026 0.000 2.381 293 D HA 0.094 4.735 4.640 0.001 0.000 0.235 293 D C -0.271 175.857 176.300 -0.286 0.000 1.068 293 D CA -0.346 53.598 54.000 -0.094 0.000 0.832 293 D CB 1.544 42.330 40.800 -0.024 0.000 1.101 293 D HN 0.609 nan 8.370 nan 0.000 0.515 294 N N 1.570 119.912 118.700 -0.597 0.000 2.280 294 N HA 0.056 4.797 4.740 0.001 0.000 0.192 294 N C 0.498 175.741 175.510 -0.445 0.000 1.109 294 N CA 0.305 53.132 53.050 -0.371 0.000 0.855 294 N CB 0.567 38.955 38.487 -0.165 0.000 0.974 294 N HN 0.163 nan 8.380 nan 0.000 0.482 295 S N -1.438 113.861 115.700 -0.670 0.000 2.891 295 S HA 0.175 4.645 4.470 0.001 0.000 0.247 295 S C 0.656 174.920 174.600 -0.560 0.000 1.063 295 S CA 0.047 57.813 58.200 -0.723 0.000 0.857 295 S CB -0.021 62.421 63.200 -1.262 0.000 0.800 295 S HN 0.274 nan 8.310 nan 0.000 0.540 296 Y N 1.324 121.520 120.300 -0.174 0.000 2.535 296 Y HA 0.459 5.010 4.550 0.001 0.000 0.266 296 Y C 1.101 176.933 175.900 -0.113 0.000 1.088 296 Y CA 0.159 58.193 58.100 -0.110 0.000 1.285 296 Y CB 0.409 38.824 38.460 -0.074 0.000 1.166 296 Y HN 0.190 nan 8.280 nan 0.000 0.525 297 T N -1.248 113.309 114.554 0.005 0.000 2.868 297 T HA 0.651 5.002 4.350 0.001 0.000 0.306 297 T C 0.044 174.683 174.700 -0.103 0.000 1.224 297 T CA -0.098 61.964 62.100 -0.063 0.000 1.012 297 T CB 1.515 70.347 68.868 -0.060 0.000 1.221 297 T HN 0.003 nan 8.240 nan 0.000 0.499 298 A N 2.259 124.983 122.820 -0.159 0.000 2.308 298 A HA 0.367 4.688 4.320 0.001 0.000 0.217 298 A C 0.693 178.194 177.584 -0.138 0.000 1.216 298 A CA 0.079 52.031 52.037 -0.141 0.000 0.864 298 A CB -0.212 18.706 19.000 -0.137 0.000 0.902 298 A HN 0.694 nan 8.150 nan 0.000 0.499 299 K N 1.399 121.687 120.400 -0.185 0.000 2.401 299 K HA 0.197 4.518 4.320 0.001 0.000 0.278 299 K C -0.236 176.353 176.600 -0.018 0.000 1.018 299 K CA -0.122 56.116 56.287 -0.081 0.000 0.981 299 K CB 0.601 33.049 32.500 -0.088 0.000 0.933 299 K HN 0.316 nan 8.250 nan 0.000 0.477 300 R N 3.529 124.037 120.500 0.013 0.000 2.449 300 R HA 0.078 4.419 4.340 0.001 0.000 0.296 300 R C -2.282 174.084 176.300 0.110 0.000 1.047 300 R CA -1.725 54.405 56.100 0.050 0.000 1.018 300 R CB -0.012 30.316 30.300 0.047 0.000 0.962 300 R HN 0.346 nan 8.270 nan 0.000 0.428 301 P HA -0.052 nan 4.420 nan 0.000 0.268 301 P C -0.996 176.458 177.300 0.255 0.000 1.204 301 P CA 0.346 63.545 63.100 0.166 0.000 0.768 301 P CB 0.317 32.101 31.700 0.139 0.000 0.842 302 F N 4.280 124.356 119.950 0.211 0.000 2.403 302 F HA 0.348 4.876 4.527 0.001 0.000 0.355 302 F C -0.711 175.354 175.800 0.442 0.000 1.119 302 F CA -0.758 57.407 58.000 0.276 0.000 1.007 302 F CB 0.957 40.123 39.000 0.275 0.000 1.194 302 F HN -0.034 nan 8.300 nan 0.000 0.443 303 V N 5.900 125.789 119.914 -0.042 0.000 2.465 303 V HA 0.367 4.488 4.120 0.001 0.000 0.279 303 V C -0.414 175.665 176.094 -0.026 0.000 1.045 303 V CA -0.784 61.589 62.300 0.121 0.000 0.938 303 V CB 1.407 33.321 31.823 0.152 0.000 0.986 303 V HN 0.588 nan 8.190 nan 0.000 0.467 304 K N 4.883 125.377 120.400 0.156 0.000 2.450 304 K HA 0.584 4.905 4.320 0.001 0.000 0.257 304 K C -1.207 175.360 176.600 -0.055 0.000 0.953 304 K CA -0.472 55.811 56.287 -0.007 0.000 0.844 304 K CB 2.119 34.563 32.500 -0.093 0.000 1.103 304 K HN 0.541 nan 8.250 nan 0.000 0.429 305 L N 3.477 124.577 121.223 -0.205 0.000 2.298 305 L HA 0.328 4.669 4.340 0.001 0.000 0.284 305 L C -0.645 176.064 176.870 -0.269 0.000 1.013 305 L CA -0.715 53.933 54.840 -0.320 0.000 0.824 305 L CB 1.042 42.733 42.059 -0.612 0.000 1.221 305 L HN 0.592 nan 8.230 nan 0.000 0.418 306 N N 3.983 122.570 118.700 -0.188 0.000 2.401 306 N HA 0.038 4.779 4.740 0.001 0.000 0.255 306 N C 0.668 176.057 175.510 -0.202 0.000 1.110 306 N CA -0.173 52.788 53.050 -0.149 0.000 0.949 306 N CB 1.691 40.135 38.487 -0.072 0.000 1.110 306 N HN 0.572 nan 8.380 nan 0.000 0.490 307 V N 1.007 120.773 119.914 -0.246 0.000 3.573 307 V HA 0.141 4.262 4.120 0.001 0.000 0.270 307 V C 1.234 177.295 176.094 -0.055 0.000 1.221 307 V CA 0.836 62.963 62.300 -0.289 0.000 1.163 307 V CB -0.493 31.103 31.823 -0.379 0.000 0.847 307 V HN 0.521 nan 8.190 nan 0.000 0.468 308 E N 1.531 121.707 120.200 -0.040 0.000 2.201 308 E HA -0.015 4.336 4.350 0.001 0.000 0.193 308 E C 2.112 178.714 176.600 0.004 0.000 0.957 308 E CA 1.225 57.624 56.400 -0.002 0.000 0.858 308 E CB 0.203 29.901 29.700 -0.004 0.000 0.816 308 E HN 0.822 nan 8.360 nan 0.000 0.475 309 T N -2.089 112.460 114.554 -0.008 0.000 3.069 309 T HA 0.043 4.394 4.350 0.001 0.000 0.252 309 T C 0.025 174.726 174.700 0.002 0.000 1.053 309 T CA -0.149 61.952 62.100 0.001 0.000 0.964 309 T CB 0.183 69.052 68.868 0.002 0.000 1.005 309 T HN -0.136 nan 8.240 nan 0.000 0.532 310 D N 2.442 122.838 120.400 -0.007 0.000 2.705 310 D HA -0.118 4.523 4.640 0.001 0.000 0.240 310 D C -0.122 176.164 176.300 -0.023 0.000 1.137 310 D CA 1.511 55.514 54.000 0.005 0.000 0.677 310 D CB -1.754 39.078 40.800 0.054 0.000 1.049 310 D HN 0.810 nan 8.370 nan 0.000 0.427 311 T N -2.834 111.693 114.554 -0.044 0.000 2.863 311 T HA 0.797 5.148 4.350 0.001 0.000 0.285 311 T C -0.202 174.469 174.700 -0.049 0.000 1.009 311 T CA -0.501 61.586 62.100 -0.021 0.000 0.989 311 T CB 2.752 71.625 68.868 0.009 0.000 1.004 311 T HN 0.322 nan 8.240 nan 0.000 0.455 312 A N 1.986 124.800 122.820 -0.011 0.000 2.386 312 A HA 0.824 5.145 4.320 0.001 0.000 0.311 312 A C -0.567 177.077 177.584 0.099 0.000 1.068 312 A CA -0.810 51.222 52.037 -0.008 0.000 0.743 312 A CB 1.576 20.543 19.000 -0.056 0.000 1.258 312 A HN 0.951 nan 8.150 nan 0.000 0.429 313 E N 1.168 121.475 120.200 0.178 0.000 2.317 313 E HA 0.720 5.071 4.350 0.001 0.000 0.270 313 E C -1.699 175.100 176.600 0.332 0.000 0.885 313 E CA -0.535 56.008 56.400 0.238 0.000 0.760 313 E CB 1.757 31.671 29.700 0.357 0.000 1.227 313 E HN 0.607 nan 8.360 nan 0.000 0.434 314 I N 3.492 124.135 120.570 0.122 0.000 2.534 314 I HA 0.510 4.681 4.170 0.001 0.000 0.288 314 I C -0.524 175.479 176.117 -0.191 0.000 1.077 314 I CA -0.820 60.561 61.300 0.134 0.000 1.051 314 I CB 1.613 39.696 38.000 0.138 0.000 1.234 314 I HN 0.321 nan 8.210 nan 0.000 0.425 315 R N 5.432 125.766 120.500 -0.277 0.000 2.774 315 R HA 0.627 4.968 4.340 0.001 0.000 0.272 315 R C -1.045 175.221 176.300 -0.057 0.000 1.000 315 R CA -1.134 54.689 56.100 -0.461 0.000 0.906 315 R CB 2.199 31.799 30.300 -1.168 0.000 1.227 315 R HN 0.474 nan 8.270 nan 0.000 0.468 316 L N 1.798 122.992 121.223 -0.048 0.000 2.483 316 L HA 0.184 4.525 4.340 0.001 0.000 0.275 316 L C 0.784 177.731 176.870 0.128 0.000 1.220 316 L CA 0.283 55.154 54.840 0.052 0.000 0.833 316 L CB 0.163 42.217 42.059 -0.008 0.000 1.102 316 L HN 0.360 nan 8.230 nan 0.000 0.490 317 M N 1.995 121.674 119.600 0.133 0.000 2.184 317 M HA 0.002 4.483 4.480 0.001 0.000 0.351 317 M C 0.899 177.215 176.300 0.026 0.000 1.395 317 M CA -0.063 55.271 55.300 0.057 0.000 1.117 317 M CB 0.849 33.431 32.600 -0.030 0.000 1.708 317 M HN 0.766 nan 8.290 nan 0.000 0.468 318 c N 2.721 121.330 118.600 0.015 0.000 2.481 318 c HA -0.012 4.559 4.570 0.001 0.000 0.275 318 c C 1.641 175.744 174.090 0.022 0.000 1.419 318 c CA 0.480 56.824 56.329 0.025 0.000 1.773 318 c CB -0.549 41.974 42.510 0.022 0.000 1.862 318 c HN 0.890 nan 8.230 nan 0.000 0.530 319 T N 0.975 115.503 114.554 -0.043 0.000 2.906 319 T HA -0.033 4.318 4.350 0.001 0.000 0.320 319 T C 1.150 175.782 174.700 -0.114 0.000 1.088 319 T CA 0.791 62.828 62.100 -0.105 0.000 1.120 319 T CB 0.506 69.252 68.868 -0.204 0.000 1.000 319 T HN 0.778 nan 8.240 nan 0.000 0.550 320 E N 1.386 121.441 120.200 -0.243 0.000 2.427 320 E HA 0.026 4.376 4.350 0.001 0.000 0.196 320 E C 0.397 176.426 176.600 -0.951 0.000 1.028 320 E CA 0.306 56.395 56.400 -0.519 0.000 0.864 320 E CB -0.018 29.501 29.700 -0.302 0.000 0.813 320 E HN 0.462 nan 8.360 nan 0.000 0.514 321 T N 2.381 116.586 114.554 -0.583 0.000 3.688 321 T HA 0.109 4.460 4.350 0.001 0.000 0.307 321 T C -0.944 173.483 174.700 -0.454 0.000 1.382 321 T CA -0.514 61.263 62.100 -0.537 0.000 1.136 321 T CB -0.627 67.987 68.868 -0.423 0.000 1.207 321 T HN 0.077 nan 8.240 nan 0.000 0.854 322 Y N 1.531 121.705 120.300 -0.210 0.000 2.620 322 Y HA 0.125 4.676 4.550 0.001 0.000 0.330 322 Y C 1.210 176.980 175.900 -0.217 0.000 1.186 322 Y CA -1.267 56.722 58.100 -0.185 0.000 1.467 322 Y CB 0.067 38.452 38.460 -0.124 0.000 1.262 322 Y HN 0.456 nan 8.280 nan 0.000 0.550 323 L N 1.202 122.397 121.223 -0.048 0.000 2.616 323 L HA 0.146 4.487 4.340 0.001 0.000 0.229 323 L C 0.562 177.407 176.870 -0.041 0.000 1.110 323 L CA 0.080 54.852 54.840 -0.115 0.000 0.884 323 L CB 0.112 42.081 42.059 -0.151 0.000 1.115 323 L HN 0.555 nan 8.230 nan 0.000 0.481 324 D N -0.087 120.304 120.400 -0.014 0.000 2.411 324 D HA 0.290 4.931 4.640 0.001 0.000 0.251 324 D C -0.413 175.877 176.300 -0.015 0.000 1.201 324 D CA 0.298 54.290 54.000 -0.014 0.000 0.996 324 D CB 1.358 42.142 40.800 -0.026 0.000 1.101 324 D HN -0.205 nan 8.370 nan 0.000 0.504 325 T N 1.904 116.444 114.554 -0.022 0.000 3.011 325 T HA 0.436 4.787 4.350 0.001 0.000 0.303 325 T C -2.549 172.122 174.700 -0.048 0.000 0.997 325 T CA -1.041 61.039 62.100 -0.034 0.000 1.007 325 T CB 2.033 70.877 68.868 -0.039 0.000 1.017 325 T HN 0.178 nan 8.240 nan 0.000 0.443 326 P HA 0.524 nan 4.420 nan 0.000 0.273 326 P C -0.579 176.700 177.300 -0.035 0.000 1.250 326 P CA -0.677 62.396 63.100 -0.045 0.000 0.793 326 P CB 0.606 32.277 31.700 -0.049 0.000 1.011 327 R N -1.123 119.367 120.500 -0.017 0.000 2.710 327 R HA 0.650 4.991 4.340 0.001 0.000 0.270 327 R C -2.997 173.319 176.300 0.027 0.000 1.021 327 R CA -1.908 54.196 56.100 0.006 0.000 0.889 327 R CB 0.473 30.809 30.300 0.061 0.000 1.243 327 R HN 0.168 nan 8.270 nan 0.000 0.464 328 P HA 0.199 nan 4.420 nan 0.000 0.323 328 P C -0.895 176.475 177.300 0.116 0.000 1.309 328 P CA -0.337 62.800 63.100 0.063 0.000 0.739 328 P CB 0.219 31.944 31.700 0.042 0.000 1.454 329 D N -0.054 120.400 120.400 0.091 0.000 2.372 329 D HA 0.096 4.737 4.640 0.001 0.000 0.243 329 D C -0.089 176.254 176.300 0.073 0.000 1.121 329 D CA 0.293 54.330 54.000 0.060 0.000 0.898 329 D CB -0.188 40.629 40.800 0.029 0.000 1.202 329 D HN 0.204 nan 8.370 nan 0.000 0.428 330 D N 0.115 120.461 120.400 -0.092 0.000 2.488 330 D HA 0.254 4.895 4.640 0.001 0.000 0.238 330 D C 1.571 177.731 176.300 -0.232 0.000 1.138 330 D CA 0.694 54.478 54.000 -0.360 0.000 0.873 330 D CB 0.687 41.297 40.800 -0.317 0.000 1.183 330 D HN 0.607 nan 8.370 nan 0.000 0.458 331 G N 1.618 110.217 108.800 -0.335 0.000 2.189 331 G HA2 -0.369 3.592 3.960 0.001 0.000 0.267 331 G HA3 -0.369 3.592 3.960 0.001 0.000 0.267 331 G C 1.035 175.990 174.900 0.091 0.000 0.975 331 G CA 1.031 46.096 45.100 -0.059 0.000 0.644 331 G HN 0.611 nan 8.290 nan 0.000 0.537 332 S N -0.829 114.979 115.700 0.181 0.000 2.548 332 S HA 0.405 4.876 4.470 0.001 0.000 0.215 332 S C 1.018 175.681 174.600 0.106 0.000 0.976 332 S CA 0.065 58.337 58.200 0.120 0.000 0.908 332 S CB 0.129 63.386 63.200 0.096 0.000 0.781 332 S HN 0.495 nan 8.310 nan 0.000 0.519 333 I N 4.469 125.132 120.570 0.155 0.000 2.329 333 I HA 0.120 4.290 4.170 0.001 0.000 0.295 333 I C 0.777 176.915 176.117 0.035 0.000 1.109 333 I CA -0.329 60.979 61.300 0.013 0.000 1.297 333 I CB 0.257 38.154 38.000 -0.172 0.000 1.433 333 I HN 0.284 nan 8.210 nan 0.000 0.509 334 T N 2.731 117.292 114.554 0.012 0.000 2.860 334 T HA 0.656 5.007 4.350 0.001 0.000 0.299 334 T C 0.524 175.222 174.700 -0.003 0.000 1.045 334 T CA 0.108 62.214 62.100 0.010 0.000 1.071 334 T CB 1.731 70.601 68.868 0.003 0.000 0.985 334 T HN 0.997 nan 8.240 nan 0.000 0.537 335 G N 1.892 110.691 108.800 -0.001 0.000 2.483 335 G HA2 0.164 4.125 3.960 0.001 0.000 0.521 335 G HA3 0.164 4.125 3.960 0.001 0.000 0.521 335 G C -2.703 172.193 174.900 -0.006 0.000 1.278 335 G CA -0.488 44.607 45.100 -0.009 0.000 0.965 335 G HN 0.890 nan 8.290 nan 0.000 0.504 336 P HA 0.412 nan 4.420 nan 0.000 0.307 336 P C 1.266 178.559 177.300 -0.012 0.000 1.306 336 P CA 0.213 63.307 63.100 -0.010 0.000 0.742 336 P CB 0.150 31.840 31.700 -0.016 0.000 1.349 337 c N -0.463 118.130 118.600 -0.011 0.000 2.432 337 c HA -0.062 4.509 4.570 0.001 0.000 0.280 337 c C 2.286 176.359 174.090 -0.030 0.000 1.353 337 c CA 0.901 57.225 56.329 -0.008 0.000 1.766 337 c CB -1.363 41.148 42.510 0.002 0.000 1.924 337 c HN 0.620 nan 8.230 nan 0.000 0.509 338 E N 0.826 120.998 120.200 -0.047 0.000 2.435 338 E HA 0.020 4.371 4.350 0.001 0.000 0.195 338 E C 0.622 177.183 176.600 -0.066 0.000 1.029 338 E CA 0.245 56.605 56.400 -0.066 0.000 0.865 338 E CB -0.403 29.249 29.700 -0.079 0.000 0.833 338 E HN 0.407 nan 8.360 nan 0.000 0.510 339 S N 2.407 118.073 115.700 -0.057 0.000 2.552 339 S HA 0.030 4.500 4.470 0.001 0.000 0.289 339 S C 0.974 175.522 174.600 -0.085 0.000 1.304 339 S CA -0.424 57.738 58.200 -0.064 0.000 1.063 339 S CB 0.616 63.784 63.200 -0.053 0.000 0.848 339 S HN 0.194 nan 8.310 nan 0.000 0.499 340 N N 2.809 121.461 118.700 -0.079 0.000 2.022 340 N HA -0.055 4.686 4.740 0.001 0.000 0.194 340 N C 1.759 177.188 175.510 -0.135 0.000 1.057 340 N CA 1.723 54.724 53.050 -0.082 0.000 0.849 340 N CB -0.607 37.858 38.487 -0.037 0.000 1.044 340 N HN 0.691 nan 8.380 nan 0.000 0.424 341 G N -0.594 108.127 108.800 -0.132 0.000 2.732 341 G HA2 0.081 4.042 3.960 0.001 0.000 0.206 341 G HA3 0.081 4.042 3.960 0.001 0.000 0.206 341 G C -0.123 174.736 174.900 -0.068 0.000 1.253 341 G CA -0.039 45.015 45.100 -0.076 0.000 0.796 341 G HN 0.134 nan 8.290 nan 0.000 0.616 342 D N -0.060 120.287 120.400 -0.088 0.000 2.268 342 D HA 0.440 5.081 4.640 0.001 0.000 0.249 342 D C 0.058 176.309 176.300 -0.081 0.000 1.008 342 D CA -0.386 53.574 54.000 -0.067 0.000 0.939 342 D CB 1.690 42.462 40.800 -0.048 0.000 1.170 342 D HN 0.170 nan 8.370 nan 0.000 0.468 343 K N -0.091 120.272 120.400 -0.063 0.000 3.209 343 K HA -0.185 4.136 4.320 0.001 0.000 0.289 343 K C 1.162 177.715 176.600 -0.080 0.000 1.191 343 K CA 0.596 56.845 56.287 -0.063 0.000 0.851 343 K CB -1.201 31.269 32.500 -0.051 0.000 1.242 343 K HN 0.618 nan 8.250 nan 0.000 0.480 344 G N 0.782 109.531 108.800 -0.086 0.000 2.448 344 G HA2 -0.139 3.822 3.960 0.001 0.000 0.218 344 G HA3 -0.139 3.822 3.960 0.001 0.000 0.218 344 G C 0.472 175.295 174.900 -0.128 0.000 1.135 344 G CA 0.610 45.651 45.100 -0.098 0.000 0.784 344 G HN 0.482 nan 8.290 nan 0.000 0.543 345 S N -0.214 115.408 115.700 -0.129 0.000 2.593 345 S HA 0.535 5.005 4.470 0.001 0.000 0.269 345 S C 0.695 175.223 174.600 -0.120 0.000 1.334 345 S CA 0.314 58.420 58.200 -0.156 0.000 1.015 345 S CB 1.084 64.198 63.200 -0.143 0.000 0.912 345 S HN 1.767 nan 8.310 nan 0.000 0.541 346 G N 0.547 109.277 108.800 -0.117 0.000 2.860 346 G HA2 0.419 4.380 3.960 0.001 0.000 0.553 346 G HA3 0.419 4.380 3.960 0.001 0.000 0.553 346 G C 0.016 174.870 174.900 -0.076 0.000 1.439 346 G CA -0.290 44.762 45.100 -0.080 0.000 0.879 346 G HN 2.255 nan 8.290 nan 0.000 0.545 347 G N -1.536 107.240 108.800 -0.040 0.000 2.340 347 G HA2 0.696 4.657 3.960 0.001 0.000 0.299 347 G HA3 0.696 4.657 3.960 0.001 0.000 0.299 347 G C -1.462 173.451 174.900 0.021 0.000 1.291 347 G CA 0.142 45.228 45.100 -0.024 0.000 0.841 347 G HN 1.876 nan 8.290 nan 0.000 0.500 348 I N -0.262 120.322 120.570 0.022 0.000 2.785 348 I HA 0.400 4.571 4.170 0.001 0.000 0.293 348 I C -0.529 175.533 176.117 -0.092 0.000 1.446 348 I CA -0.848 60.485 61.300 0.054 0.000 1.028 348 I CB 2.156 40.203 38.000 0.078 0.000 1.349 348 I HN 0.622 nan 8.210 nan 0.000 0.438 349 K N 3.984 124.132 120.400 -0.420 0.000 2.382 349 K HA 0.503 4.824 4.320 0.001 0.000 0.275 349 K C -0.322 176.209 176.600 -0.115 0.000 1.009 349 K CA 0.095 56.111 56.287 -0.452 0.000 0.970 349 K CB 0.950 32.832 32.500 -1.030 0.000 0.934 349 K HN 0.762 nan 8.250 nan 0.000 0.479 350 G N 1.599 110.404 108.800 0.007 0.000 2.617 350 G HA2 0.490 4.451 3.960 0.001 0.000 0.306 350 G HA3 0.490 4.451 3.960 0.001 0.000 0.306 350 G C -0.431 174.584 174.900 0.192 0.000 1.360 350 G CA -0.829 44.337 45.100 0.110 0.000 0.983 350 G HN 0.752 nan 8.290 nan 0.000 0.496 351 G N -0.569 108.356 108.800 0.209 0.000 2.614 351 G HA2 0.493 4.454 3.960 0.001 0.000 0.239 351 G HA3 0.493 4.454 3.960 0.001 0.000 0.239 351 G C -0.977 174.127 174.900 0.340 0.000 1.240 351 G CA 0.085 45.323 45.100 0.230 0.000 0.842 351 G HN 1.144 nan 8.290 nan 0.000 0.584 352 F N 0.963 120.952 119.950 0.065 0.000 2.655 352 F HA 0.483 5.011 4.527 0.001 0.000 0.324 352 F C -1.458 174.278 175.800 -0.106 0.000 1.081 352 F CA -1.138 56.822 58.000 -0.067 0.000 1.088 352 F CB 0.763 39.750 39.000 -0.022 0.000 1.327 352 F HN 0.661 nan 8.300 nan 0.000 0.522 353 V N 5.409 124.984 119.914 -0.565 0.000 3.147 353 V HA 0.578 4.699 4.120 0.001 0.000 0.306 353 V C -1.545 174.192 176.094 -0.596 0.000 1.209 353 V CA -0.561 61.395 62.300 -0.573 0.000 1.023 353 V CB 2.604 34.348 31.823 -0.132 0.000 1.059 353 V HN 0.879 nan 8.190 nan 0.000 0.435 354 H N 2.781 121.712 119.070 -0.232 0.000 2.463 354 H HA 0.568 5.125 4.556 0.001 0.000 0.332 354 H C -0.451 174.934 175.328 0.095 0.000 1.127 354 H CA -0.255 55.756 56.048 -0.063 0.000 1.238 354 H CB 1.554 31.273 29.762 -0.073 0.000 1.478 354 H HN 0.612 nan 8.280 nan 0.000 0.499 355 Q N 3.122 123.113 119.800 0.318 0.000 2.394 355 Q HA 0.300 4.641 4.340 0.001 0.000 0.259 355 Q C -0.874 175.266 176.000 0.233 0.000 1.021 355 Q CA -0.865 55.120 55.803 0.304 0.000 0.805 355 Q CB 0.511 29.545 28.738 0.493 0.000 1.226 355 Q HN 0.607 nan 8.270 nan 0.000 0.476 356 R N 3.742 124.344 120.500 0.170 0.000 2.202 356 R HA 0.391 4.732 4.340 0.001 0.000 0.334 356 R C -0.468 175.899 176.300 0.112 0.000 1.036 356 R CA 0.117 56.289 56.100 0.120 0.000 0.878 356 R CB 0.891 31.235 30.300 0.074 0.000 1.067 356 R HN 0.515 nan 8.270 nan 0.000 0.457 357 M N 0.791 120.461 119.600 0.117 0.000 2.762 357 M HA 0.367 4.848 4.480 0.001 0.000 0.306 357 M C 1.286 177.624 176.300 0.064 0.000 1.223 357 M CA -0.444 54.914 55.300 0.096 0.000 0.896 357 M CB 1.613 34.284 32.600 0.119 0.000 1.684 357 M HN 0.668 nan 8.290 nan 0.000 0.491 358 A N 0.095 122.943 122.820 0.047 0.000 1.881 358 A HA -0.146 4.175 4.320 0.001 0.000 0.219 358 A C 1.535 179.136 177.584 0.028 0.000 1.215 358 A CA 2.366 54.421 52.037 0.029 0.000 0.648 358 A CB -0.618 18.395 19.000 0.021 0.000 0.832 358 A HN 0.705 nan 8.150 nan 0.000 0.455 359 S N -1.223 114.497 115.700 0.033 0.000 2.835 359 S HA 0.375 4.846 4.470 0.001 0.000 0.248 359 S C -0.275 174.352 174.600 0.045 0.000 1.070 359 S CA -0.397 57.821 58.200 0.030 0.000 1.090 359 S CB 0.092 63.303 63.200 0.019 0.000 0.978 359 S HN 0.546 nan 8.310 nan 0.000 0.510 360 K N 1.329 121.770 120.400 0.069 0.000 2.557 360 K HA 0.501 4.822 4.320 0.001 0.000 0.261 360 K C -2.068 174.617 176.600 0.141 0.000 0.932 360 K CA -0.564 55.786 56.287 0.106 0.000 0.829 360 K CB 1.882 34.453 32.500 0.118 0.000 1.358 360 K HN 0.243 nan 8.250 nan 0.000 0.430 361 I N 2.389 123.047 120.570 0.146 0.000 2.389 361 I HA 0.465 4.636 4.170 0.001 0.000 0.288 361 I C -0.201 175.975 176.117 0.099 0.000 0.999 361 I CA -0.280 61.103 61.300 0.139 0.000 1.129 361 I CB 1.554 39.615 38.000 0.102 0.000 1.288 361 I HN 0.697 nan 8.210 nan 0.000 0.444 362 G N 6.497 115.319 108.800 0.035 0.000 2.377 362 G HA2 0.525 4.486 3.960 0.001 0.000 0.299 362 G HA3 0.525 4.486 3.960 0.001 0.000 0.299 362 G C -0.744 173.995 174.900 -0.268 0.000 1.150 362 G CA -0.641 44.178 45.100 -0.468 0.000 0.847 362 G HN 0.623 nan 8.290 nan 0.000 0.501 363 R N 0.971 121.216 120.500 -0.425 0.000 2.360 363 R HA 0.266 4.607 4.340 0.001 0.000 0.318 363 R C -1.355 174.621 176.300 -0.539 0.000 0.950 363 R CA -0.511 55.428 56.100 -0.268 0.000 0.837 363 R CB 1.639 31.927 30.300 -0.019 0.000 1.165 363 R HN 0.567 nan 8.270 nan 0.000 0.458 364 W N 3.168 124.190 121.300 -0.464 0.000 2.469 364 W HA 0.403 5.064 4.660 0.001 0.000 0.320 364 W C -0.382 175.887 176.519 -0.416 0.000 1.086 364 W CA -0.153 56.950 57.345 -0.403 0.000 1.211 364 W CB 0.867 30.035 29.460 -0.486 0.000 1.298 364 W HN 0.436 nan 8.180 nan 0.000 0.525 365 Y N 0.886 121.324 120.300 0.231 0.000 2.605 365 Y HA 0.605 5.156 4.550 0.001 0.000 0.343 365 Y C 0.275 176.289 175.900 0.190 0.000 1.036 365 Y CA -1.319 56.906 58.100 0.207 0.000 1.065 365 Y CB 2.112 40.633 38.460 0.103 0.000 1.288 365 Y HN 0.316 nan 8.280 nan 0.000 0.481 366 S N 1.446 117.343 115.700 0.328 0.000 2.599 366 S HA 0.943 5.414 4.470 0.001 0.000 0.294 366 S C -1.085 173.629 174.600 0.189 0.000 1.094 366 S CA -1.013 57.342 58.200 0.257 0.000 0.931 366 S CB 2.693 65.988 63.200 0.158 0.000 1.093 366 S HN 0.869 nan 8.310 nan 0.000 0.488 367 R N -0.407 120.201 120.500 0.180 0.000 2.629 367 R HA 0.524 4.865 4.340 0.001 0.000 0.266 367 R C -0.829 175.536 176.300 0.109 0.000 1.051 367 R CA -0.645 55.505 56.100 0.084 0.000 0.895 367 R CB 0.591 30.855 30.300 -0.059 0.000 1.246 367 R HN 0.793 nan 8.270 nan 0.000 0.459 368 T N 0.714 115.310 114.554 0.069 0.000 2.939 368 T HA -0.015 4.335 4.350 0.001 0.000 0.312 368 T C 1.154 175.893 174.700 0.065 0.000 1.064 368 T CA -0.314 61.822 62.100 0.059 0.000 1.136 368 T CB 0.393 69.272 68.868 0.020 0.000 1.035 368 T HN 0.610 nan 8.240 nan 0.000 0.538 369 M N 1.898 121.536 119.600 0.063 0.000 2.175 369 M HA 0.096 4.577 4.480 0.001 0.000 0.264 369 M C 1.494 177.818 176.300 0.040 0.000 1.063 369 M CA 0.985 56.322 55.300 0.062 0.000 1.119 369 M CB -0.733 31.896 32.600 0.048 0.000 1.377 369 M HN 0.831 nan 8.290 nan 0.000 0.415 370 S N -0.255 115.458 115.700 0.022 0.000 2.562 370 S HA 0.152 4.622 4.470 0.001 0.000 0.275 370 S C 1.075 175.674 174.600 -0.002 0.000 1.281 370 S CA -0.427 57.778 58.200 0.007 0.000 1.045 370 S CB 0.782 63.979 63.200 -0.005 0.000 0.962 370 S HN 0.312 nan 8.310 nan 0.000 0.503 371 K N 2.129 122.527 120.400 -0.002 0.000 2.283 371 K HA -0.013 4.308 4.320 0.001 0.000 0.202 371 K C 0.923 177.512 176.600 -0.019 0.000 1.048 371 K CA 1.306 57.590 56.287 -0.006 0.000 0.948 371 K CB 0.027 32.528 32.500 0.002 0.000 0.742 371 K HN 0.613 nan 8.250 nan 0.000 0.458 372 T N -0.358 114.179 114.554 -0.029 0.000 2.975 372 T HA 0.153 4.503 4.350 0.001 0.000 0.261 372 T C 0.072 174.730 174.700 -0.070 0.000 0.984 372 T CA -0.046 62.028 62.100 -0.044 0.000 0.911 372 T CB 0.743 69.589 68.868 -0.036 0.000 1.127 372 T HN -0.024 nan 8.240 nan 0.000 0.514 373 K N 1.187 121.543 120.400 -0.072 0.000 2.350 373 K HA 0.526 4.846 4.320 0.001 0.000 0.241 373 K C -0.443 176.069 176.600 -0.147 0.000 0.994 373 K CA -0.931 55.290 56.287 -0.110 0.000 0.839 373 K CB 1.951 34.410 32.500 -0.070 0.000 1.244 373 K HN -0.126 nan 8.250 nan 0.000 0.443 374 R N 1.515 121.857 120.500 -0.264 0.000 4.518 374 R HA 0.243 4.584 4.340 0.001 0.000 0.243 374 R C -0.444 175.781 176.300 -0.124 0.000 1.720 374 R CA -0.096 55.794 56.100 -0.349 0.000 1.526 374 R CB -0.031 29.666 30.300 -1.006 0.000 1.425 374 R HN 0.211 nan 8.270 nan 0.000 0.787 375 M N 0.520 120.101 119.600 -0.032 0.000 2.321 375 M HA 0.376 4.857 4.480 0.001 0.000 0.315 375 M C 0.493 176.820 176.300 0.045 0.000 1.052 375 M CA -0.610 54.712 55.300 0.035 0.000 0.936 375 M CB 1.544 34.158 32.600 0.024 0.000 1.639 375 M HN 0.512 nan 8.290 nan 0.000 0.433 376 G N 2.793 111.632 108.800 0.066 0.000 2.856 376 G HA2 -0.032 3.929 3.960 0.001 0.000 0.674 376 G HA3 -0.032 3.929 3.960 0.001 0.000 0.674 376 G C -1.199 173.742 174.900 0.069 0.000 1.519 376 G CA -0.633 44.502 45.100 0.059 0.000 0.940 376 G HN 0.730 nan 8.290 nan 0.000 0.564 377 M N 0.910 120.543 119.600 0.056 0.000 2.322 377 M HA 0.677 5.158 4.480 0.001 0.000 0.286 377 M C 0.081 176.396 176.300 0.026 0.000 1.111 377 M CA 0.383 55.720 55.300 0.061 0.000 0.941 377 M CB 1.929 34.564 32.600 0.059 0.000 1.671 377 M HN 1.705 nan 8.290 nan 0.000 0.470 378 G N 3.139 111.995 108.800 0.094 0.000 2.453 378 G HA2 0.678 4.639 3.960 0.001 0.000 0.323 378 G HA3 0.678 4.639 3.960 0.001 0.000 0.323 378 G C -2.181 172.755 174.900 0.060 0.000 1.198 378 G CA -0.646 44.474 45.100 0.033 0.000 0.959 378 G HN 0.749 nan 8.290 nan 0.000 0.482 379 L N 0.929 122.071 121.223 -0.136 0.000 2.295 379 L HA 0.749 5.090 4.340 0.001 0.000 0.285 379 L C -1.272 175.493 176.870 -0.175 0.000 1.035 379 L CA -0.911 53.905 54.840 -0.040 0.000 0.806 379 L CB 0.809 42.812 42.059 -0.094 0.000 1.214 379 L HN 0.537 nan 8.230 nan 0.000 0.426 380 Y N 3.264 123.606 120.300 0.070 0.000 2.602 380 Y HA 0.803 5.354 4.550 0.001 0.000 0.342 380 Y C -0.592 175.275 175.900 -0.054 0.000 1.029 380 Y CA -0.814 57.298 58.100 0.019 0.000 1.080 380 Y CB 2.299 40.769 38.460 0.016 0.000 1.284 380 Y HN 0.429 nan 8.280 nan 0.000 0.485 381 V N 1.564 121.438 119.914 -0.068 0.000 3.077 381 V HA 0.645 4.766 4.120 0.001 0.000 0.299 381 V C -1.934 173.972 176.094 -0.313 0.000 1.276 381 V CA -0.708 61.304 62.300 -0.479 0.000 0.993 381 V CB 2.273 33.318 31.823 -1.297 0.000 1.076 381 V HN 0.788 nan 8.190 nan 0.000 0.434 382 K N 3.869 124.040 120.400 -0.381 0.000 2.498 382 K HA 0.638 4.958 4.320 0.001 0.000 0.254 382 K C -2.252 174.115 176.600 -0.388 0.000 0.933 382 K CA -0.508 55.638 56.287 -0.235 0.000 0.806 382 K CB 1.971 34.428 32.500 -0.072 0.000 1.301 382 K HN 0.656 nan 8.250 nan 0.000 0.432 383 Y N 3.335 123.575 120.300 -0.099 0.000 2.335 383 Y HA 0.261 4.812 4.550 0.001 0.000 0.339 383 Y C 0.002 175.883 175.900 -0.031 0.000 0.987 383 Y CA 0.085 58.148 58.100 -0.063 0.000 1.140 383 Y CB 1.064 39.489 38.460 -0.060 0.000 1.173 383 Y HN 0.774 nan 8.280 nan 0.000 0.486 384 D N 0.930 121.381 120.400 0.084 0.000 4.488 384 D HA -0.077 4.564 4.640 0.001 0.000 0.303 384 D C 0.434 176.738 176.300 0.007 0.000 2.374 384 D CA 1.662 55.692 54.000 0.050 0.000 1.117 384 D CB -0.594 40.242 40.800 0.060 0.000 1.102 384 D HN 1.079 nan 8.370 nan 0.000 1.284 385 G N -0.259 108.538 108.800 -0.006 0.000 2.685 385 G HA2 0.190 4.151 3.960 0.001 0.000 0.387 385 G HA3 0.190 4.151 3.960 0.001 0.000 0.387 385 G C -1.356 173.506 174.900 -0.063 0.000 1.324 385 G CA 0.338 45.421 45.100 -0.029 0.000 0.878 385 G HN 0.858 nan 8.290 nan 0.000 0.527 386 D N 0.127 120.481 120.400 -0.077 0.000 2.381 386 D HA 0.643 5.284 4.640 0.001 0.000 0.235 386 D C -1.194 175.002 176.300 -0.174 0.000 1.068 386 D CA -2.255 51.667 54.000 -0.131 0.000 0.832 386 D CB 1.841 42.609 40.800 -0.053 0.000 1.101 386 D HN 0.026 nan 8.370 nan 0.000 0.515 387 P HA 0.003 nan 4.420 nan 0.000 0.230 387 P C 0.808 177.999 177.300 -0.183 0.000 1.158 387 P CA 0.401 63.248 63.100 -0.420 0.000 0.769 387 P CB 0.126 31.228 31.700 -0.996 0.000 0.807 388 W N 0.110 121.283 121.300 -0.211 0.000 2.800 388 W HA 0.091 4.752 4.660 0.001 0.000 0.249 388 W C 1.616 178.091 176.519 -0.073 0.000 1.294 388 W CA 1.555 58.838 57.345 -0.103 0.000 1.402 388 W CB -1.265 28.178 29.460 -0.028 0.000 1.126 388 W HN 0.160 nan 8.180 nan 0.000 0.652 389 T N -5.251 109.380 114.554 0.128 0.000 2.992 389 T HA 0.085 4.436 4.350 0.001 0.000 0.255 389 T C -0.069 174.641 174.700 0.018 0.000 0.938 389 T CA -0.150 61.992 62.100 0.071 0.000 0.895 389 T CB 0.034 68.946 68.868 0.073 0.000 1.221 389 T HN -0.363 nan 8.240 nan 0.000 0.512 390 D N 3.144 123.536 120.400 -0.013 0.000 2.346 390 D HA 0.340 4.981 4.640 0.001 0.000 0.260 390 D C 1.196 177.470 176.300 -0.044 0.000 1.252 390 D CA 0.181 54.160 54.000 -0.035 0.000 0.895 390 D CB 1.464 42.229 40.800 -0.059 0.000 1.097 390 D HN 0.450 nan 8.370 nan 0.000 0.489 391 S N 1.010 116.691 115.700 -0.032 0.000 2.558 391 S HA -0.017 4.454 4.470 0.001 0.000 0.217 391 S C 0.558 175.121 174.600 -0.061 0.000 0.975 391 S CA -0.480 57.699 58.200 -0.035 0.000 0.912 391 S CB 0.146 63.336 63.200 -0.015 0.000 0.776 391 S HN 0.290 nan 8.310 nan 0.000 0.526 392 D N 3.145 123.510 120.400 -0.057 0.000 2.548 392 D HA 0.344 4.985 4.640 0.001 0.000 0.231 392 D C 0.466 176.712 176.300 -0.089 0.000 1.142 392 D CA 0.584 54.547 54.000 -0.061 0.000 0.866 392 D CB 0.557 41.330 40.800 -0.046 0.000 1.190 392 D HN 0.470 nan 8.370 nan 0.000 0.469 393 A N 2.315 125.084 122.820 -0.086 0.000 2.483 393 A HA 0.180 4.501 4.320 0.001 0.000 0.238 393 A C -0.022 177.516 177.584 -0.077 0.000 1.070 393 A CA -0.371 51.604 52.037 -0.104 0.000 0.770 393 A CB 0.212 19.165 19.000 -0.078 0.000 1.008 393 A HN 0.423 nan 8.150 nan 0.000 0.497 394 L N 1.381 122.552 121.223 -0.088 0.000 2.397 394 L HA 0.428 4.769 4.340 0.001 0.000 0.271 394 L C 0.970 177.896 176.870 0.092 0.000 1.148 394 L CA 0.489 55.316 54.840 -0.022 0.000 0.825 394 L CB 0.814 42.831 42.059 -0.069 0.000 1.117 394 L HN 0.771 nan 8.230 nan 0.000 0.456 395 A N 4.013 126.866 122.820 0.054 0.000 2.404 395 A HA 0.383 4.704 4.320 0.001 0.000 0.273 395 A C -0.385 177.194 177.584 -0.009 0.000 1.144 395 A CA -0.460 51.591 52.037 0.023 0.000 0.806 395 A CB -0.154 18.835 19.000 -0.017 0.000 1.080 395 A HN 0.610 nan 8.150 nan 0.000 0.509 396 L N 3.754 124.929 121.223 -0.080 0.000 2.433 396 L HA 0.297 4.637 4.340 0.001 0.000 0.275 396 L C 1.155 177.866 176.870 -0.264 0.000 1.128 396 L CA 1.044 55.640 54.840 -0.406 0.000 0.875 396 L CB 0.795 42.660 42.059 -0.323 0.000 1.171 396 L HN 0.649 nan 8.230 nan 0.000 0.463 397 S N 3.101 118.630 115.700 -0.284 0.000 2.483 397 S HA 0.539 5.010 4.470 0.001 0.000 0.221 397 S C 0.510 175.086 174.600 -0.041 0.000 1.030 397 S CA 0.366 58.528 58.200 -0.064 0.000 0.925 397 S CB -0.096 63.165 63.200 0.102 0.000 0.795 397 S HN 1.108 nan 8.310 nan 0.000 0.511 398 G N -0.048 108.671 108.800 -0.135 0.000 2.377 398 G HA2 0.366 4.327 3.960 0.001 0.000 0.297 398 G HA3 0.366 4.327 3.960 0.001 0.000 0.297 398 G C -1.723 173.101 174.900 -0.127 0.000 1.547 398 G CA -0.626 44.425 45.100 -0.082 0.000 0.833 398 G HN 0.168 nan 8.290 nan 0.000 0.583 399 V N 2.716 122.587 119.914 -0.072 0.000 2.405 399 V HA 0.215 4.336 4.120 0.001 0.000 0.264 399 V C 1.355 177.397 176.094 -0.087 0.000 1.048 399 V CA 0.097 62.359 62.300 -0.064 0.000 0.966 399 V CB 0.822 32.635 31.823 -0.016 0.000 1.015 399 V HN 0.791 nan 8.190 nan 0.000 0.477 400 M N 4.021 123.507 119.600 -0.190 0.000 2.357 400 M HA 0.127 4.607 4.480 0.001 0.000 0.266 400 M C 0.061 176.321 176.300 -0.067 0.000 1.095 400 M CA 1.199 56.273 55.300 -0.376 0.000 1.156 400 M CB 0.401 32.597 32.600 -0.673 0.000 1.365 400 M HN 0.448 nan 8.290 nan 0.000 0.447 401 V N 0.811 120.711 119.914 -0.023 0.000 2.525 401 V HA 0.226 4.347 4.120 0.001 0.000 0.299 401 V C 0.015 176.123 176.094 0.023 0.000 1.034 401 V CA -1.198 61.122 62.300 0.033 0.000 0.863 401 V CB 1.540 33.402 31.823 0.064 0.000 0.999 401 V HN 0.382 nan 8.190 nan 0.000 0.423 402 S N 4.734 120.444 115.700 0.017 0.000 2.573 402 S HA 0.125 4.596 4.470 0.001 0.000 0.277 402 S C 1.226 175.842 174.600 0.026 0.000 1.346 402 S CA -0.011 58.199 58.200 0.016 0.000 1.034 402 S CB 0.596 63.800 63.200 0.006 0.000 0.879 402 S HN 0.773 nan 8.310 nan 0.000 0.528 403 M N 1.245 120.860 119.600 0.025 0.000 2.331 403 M HA -0.130 4.351 4.480 0.001 0.000 0.260 403 M C 1.323 177.640 176.300 0.028 0.000 1.072 403 M CA 1.773 57.089 55.300 0.027 0.000 1.065 403 M CB -0.791 31.822 32.600 0.022 0.000 1.392 403 M HN 0.855 nan 8.290 nan 0.000 0.427 404 E N 0.003 120.218 120.200 0.024 0.000 2.435 404 E HA 0.063 4.413 4.350 0.001 0.000 0.195 404 E C 0.051 176.671 176.600 0.032 0.000 1.029 404 E CA 0.375 56.790 56.400 0.024 0.000 0.865 404 E CB 0.154 29.863 29.700 0.015 0.000 0.833 404 E HN 0.474 nan 8.360 nan 0.000 0.510 405 E N 0.550 120.773 120.200 0.040 0.000 2.235 405 E HA 0.280 4.631 4.350 0.001 0.000 0.265 405 E C -2.454 174.198 176.600 0.086 0.000 0.940 405 E CA -2.436 53.995 56.400 0.052 0.000 0.819 405 E CB 1.327 31.051 29.700 0.040 0.000 1.206 405 E HN -0.075 nan 8.360 nan 0.000 0.409 406 P HA 0.162 nan 4.420 nan 0.000 0.276 406 P C -0.440 177.009 177.300 0.249 0.000 1.230 406 P CA -0.302 62.931 63.100 0.222 0.000 0.776 406 P CB 0.687 32.508 31.700 0.201 0.000 0.888 407 G N 2.570 111.550 108.800 0.300 0.000 3.164 407 G HA2 0.386 4.347 3.960 0.001 0.000 0.312 407 G HA3 0.386 4.347 3.960 0.001 0.000 0.312 407 G C -0.806 174.285 174.900 0.319 0.000 1.530 407 G CA -0.406 44.854 45.100 0.266 0.000 1.079 407 G HN 0.343 nan 8.290 nan 0.000 0.527 408 W N 0.816 122.186 121.300 0.118 0.000 1.877 408 W HA 0.500 5.161 4.660 0.001 0.000 0.645 408 W C 0.411 177.124 176.519 0.324 0.000 1.412 408 W CA -0.723 56.729 57.345 0.178 0.000 0.998 408 W CB -0.546 28.968 29.460 0.091 0.000 3.511 408 W HN 0.310 nan 8.180 nan 0.000 0.755 409 Y N 1.686 122.252 120.300 0.443 0.000 2.788 409 Y HA 0.178 4.729 4.550 0.001 0.000 0.341 409 Y C 0.840 176.949 175.900 0.348 0.000 1.258 409 Y CA -0.395 57.920 58.100 0.359 0.000 1.503 409 Y CB -0.433 38.260 38.460 0.388 0.000 1.325 409 Y HN 0.047 nan 8.280 nan 0.000 0.614 410 S N 3.332 119.274 115.700 0.403 0.000 2.599 410 S HA 0.924 5.395 4.470 0.001 0.000 0.287 410 S C -1.189 173.615 174.600 0.342 0.000 1.105 410 S CA -0.865 57.503 58.200 0.281 0.000 0.899 410 S CB 2.295 65.582 63.200 0.145 0.000 1.100 410 S HN 0.497 nan 8.310 nan 0.000 0.482 411 F N -1.667 118.453 119.950 0.284 0.000 2.668 411 F HA 0.903 5.431 4.527 0.001 0.000 0.309 411 F C -0.129 175.871 175.800 0.332 0.000 1.117 411 F CA -0.944 57.222 58.000 0.276 0.000 0.951 411 F CB 0.889 40.065 39.000 0.295 0.000 1.323 411 F HN 0.891 nan 8.300 nan 0.000 0.451 412 G N 0.668 109.731 108.800 0.438 0.000 2.434 412 G HA2 0.741 4.702 3.960 0.001 0.000 0.330 412 G HA3 0.741 4.702 3.960 0.001 0.000 0.330 412 G C -1.661 173.596 174.900 0.596 0.000 1.155 412 G CA -0.827 44.475 45.100 0.337 0.000 0.917 412 G HN 1.144 nan 8.290 nan 0.000 0.493 413 F N -1.961 118.121 119.950 0.219 0.000 2.817 413 F HA 0.753 5.280 4.527 0.001 0.000 0.317 413 F C -1.129 174.754 175.800 0.139 0.000 1.168 413 F CA -1.349 56.785 58.000 0.222 0.000 0.911 413 F CB 1.502 40.698 39.000 0.327 0.000 1.337 413 F HN 0.420 nan 8.300 nan 0.000 0.464 414 E N 1.974 122.332 120.200 0.264 0.000 2.274 414 E HA 0.487 4.838 4.350 0.001 0.000 0.269 414 E C -1.269 175.441 176.600 0.183 0.000 0.891 414 E CA -0.673 55.778 56.400 0.086 0.000 0.784 414 E CB 2.951 32.717 29.700 0.109 0.000 1.225 414 E HN 0.511 nan 8.360 nan 0.000 0.412 415 I N 2.692 123.316 120.570 0.090 0.000 2.472 415 I HA 0.206 4.377 4.170 0.001 0.000 0.290 415 I C 0.238 176.390 176.117 0.058 0.000 1.016 415 I CA -0.719 60.651 61.300 0.117 0.000 1.348 415 I CB 0.666 38.717 38.000 0.085 0.000 1.417 415 I HN 0.211 nan 8.210 nan 0.000 0.521 416 K N 4.274 124.709 120.400 0.057 0.000 2.281 416 K HA 0.331 4.652 4.320 0.001 0.000 0.272 416 K C -0.736 175.874 176.600 0.017 0.000 1.048 416 K CA -0.737 55.569 56.287 0.031 0.000 0.898 416 K CB 1.402 33.917 32.500 0.025 0.000 1.128 416 K HN 0.428 nan 8.250 nan 0.000 0.460 417 D N 2.130 122.535 120.400 0.008 0.000 2.414 417 D HA 0.064 4.705 4.640 0.001 0.000 0.259 417 D C 1.067 177.368 176.300 0.003 0.000 1.269 417 D CA -0.288 53.712 54.000 0.001 0.000 1.028 417 D CB 0.926 41.722 40.800 -0.006 0.000 1.093 417 D HN 0.284 nan 8.370 nan 0.000 0.545 418 K N -0.274 120.126 120.400 0.001 0.000 2.063 418 K HA -0.121 4.200 4.320 0.001 0.000 0.208 418 K C 1.007 177.609 176.600 0.003 0.000 1.048 418 K CA 1.357 57.645 56.287 0.001 0.000 0.928 418 K CB 0.116 32.615 32.500 -0.001 0.000 0.713 418 K HN 0.248 nan 8.250 nan 0.000 0.442 419 K N -1.009 119.393 120.400 0.003 0.000 2.553 419 K HA 0.101 4.422 4.320 0.001 0.000 0.205 419 K C -0.489 176.114 176.600 0.006 0.000 1.168 419 K CA -0.191 56.098 56.287 0.004 0.000 1.043 419 K CB 1.123 33.624 32.500 0.001 0.000 0.967 419 K HN 0.238 nan 8.250 nan 0.000 0.585 420 c N -1.316 117.288 118.600 0.007 0.000 3.291 420 c HA 0.584 5.155 4.570 0.001 0.000 0.316 420 c C -1.525 172.572 174.090 0.011 0.000 1.391 420 c CA -1.253 55.082 56.329 0.010 0.000 1.394 420 c CB 1.537 44.053 42.510 0.010 0.000 1.744 420 c HN 0.020 nan 8.230 nan 0.000 0.461 421 D N 1.027 121.437 120.400 0.016 0.000 2.193 421 D HA 0.516 5.157 4.640 0.001 0.000 0.244 421 D C -0.653 175.642 176.300 -0.008 0.000 1.064 421 D CA -0.086 53.924 54.000 0.017 0.000 0.845 421 D CB 2.103 42.927 40.800 0.041 0.000 1.148 421 D HN 0.493 nan 8.370 nan 0.000 0.464 422 V N 4.877 124.768 119.914 -0.039 0.000 2.318 422 V HA 0.244 4.365 4.120 0.001 0.000 0.271 422 V C -2.107 173.874 176.094 -0.189 0.000 1.030 422 V CA -1.548 60.683 62.300 -0.115 0.000 0.844 422 V CB 1.190 32.934 31.823 -0.130 0.000 1.015 422 V HN 0.356 nan 8.190 nan 0.000 0.460 423 P HA 0.308 nan 4.420 nan 0.000 0.276 423 P C -0.668 176.327 177.300 -0.507 0.000 1.235 423 P CA -0.086 62.871 63.100 -0.238 0.000 0.772 423 P CB 0.921 32.575 31.700 -0.077 0.000 0.871 424 c N 3.830 122.088 118.600 -0.570 0.000 3.080 424 c HA 0.626 5.197 4.570 0.001 0.000 0.307 424 c C -0.297 173.549 174.090 -0.406 0.000 1.311 424 c CA -0.550 55.330 56.329 -0.748 0.000 1.533 424 c CB 1.816 43.504 42.510 -1.369 0.000 1.970 424 c HN 0.452 nan 8.230 nan 0.000 0.467 425 I N 2.120 122.635 120.570 -0.090 0.000 2.468 425 I HA 0.416 4.587 4.170 0.001 0.000 0.285 425 I C 0.479 176.604 176.117 0.012 0.000 1.039 425 I CA 0.397 61.720 61.300 0.039 0.000 1.074 425 I CB 1.177 39.267 38.000 0.149 0.000 1.228 425 I HN 0.912 nan 8.210 nan 0.000 0.436 426 G N 6.664 115.283 108.800 -0.300 0.000 2.425 426 G HA2 0.749 4.710 3.960 0.001 0.000 0.302 426 G HA3 0.749 4.710 3.960 0.001 0.000 0.302 426 G C -0.694 173.858 174.900 -0.581 0.000 1.159 426 G CA -0.371 44.398 45.100 -0.551 0.000 0.865 426 G HN 0.495 nan 8.290 nan 0.000 0.515 427 I N 0.379 120.905 120.570 -0.073 0.000 2.468 427 I HA 0.207 4.378 4.170 0.001 0.000 0.285 427 I C 0.031 176.303 176.117 0.258 0.000 1.039 427 I CA -0.561 60.807 61.300 0.113 0.000 1.074 427 I CB 2.373 40.460 38.000 0.147 0.000 1.228 427 I HN 0.518 nan 8.210 nan 0.000 0.436 428 E N 7.541 127.968 120.200 0.378 0.000 2.265 428 E HA 0.207 4.558 4.350 0.001 0.000 0.272 428 E C -0.824 175.904 176.600 0.213 0.000 1.067 428 E CA -0.120 56.479 56.400 0.332 0.000 0.900 428 E CB 0.609 30.554 29.700 0.409 0.000 1.017 428 E HN 0.533 nan 8.360 nan 0.000 0.431 429 M N 5.361 125.004 119.600 0.072 0.000 2.268 429 M HA 0.205 4.686 4.480 0.001 0.000 0.340 429 M C -0.800 175.277 176.300 -0.371 0.000 1.099 429 M CA -0.684 54.592 55.300 -0.041 0.000 1.053 429 M CB 1.261 33.851 32.600 -0.017 0.000 1.284 429 M HN 0.196 nan 8.290 nan 0.000 0.410 430 V N 2.451 122.018 119.914 -0.578 0.000 2.715 430 V HA 0.013 4.134 4.120 0.001 0.000 0.299 430 V C 0.570 176.142 176.094 -0.871 0.000 1.054 430 V CA -0.160 61.552 62.300 -0.980 0.000 1.077 430 V CB 0.357 31.067 31.823 -1.856 0.000 0.972 430 V HN 0.571 nan 8.190 nan 0.000 0.484 431 H N 2.871 121.631 119.070 -0.517 0.000 2.818 431 H HA 0.293 4.850 4.556 0.001 0.000 0.269 431 H C -0.672 174.278 175.328 -0.630 0.000 1.277 431 H CA -0.569 55.208 56.048 -0.452 0.000 1.290 431 H CB 0.628 30.167 29.762 -0.371 0.000 1.479 431 H HN 0.582 nan 8.280 nan 0.000 0.507 432 D N 1.960 122.151 120.400 -0.349 0.000 2.329 432 D HA 0.241 4.882 4.640 0.001 0.000 0.232 432 D C 0.866 177.094 176.300 -0.119 0.000 1.088 432 D CA -0.548 53.345 54.000 -0.178 0.000 0.835 432 D CB 1.075 41.946 40.800 0.118 0.000 1.078 432 D HN 0.705 nan 8.370 nan 0.000 0.495 433 G N 2.099 110.798 108.800 -0.168 0.000 3.969 433 G HA2 0.534 4.495 3.960 0.001 0.000 0.291 433 G HA3 0.534 4.495 3.960 0.001 0.000 0.291 433 G C 0.641 175.481 174.900 -0.099 0.000 1.016 433 G CA 0.093 45.088 45.100 -0.176 0.000 0.819 433 G HN 0.870 nan 8.290 nan 0.000 0.493 434 G N 1.053 109.837 108.800 -0.027 0.000 2.796 434 G HA2 -0.174 3.786 3.960 0.001 0.000 0.571 434 G HA3 -0.174 3.786 3.960 0.001 0.000 0.571 434 G C 0.727 175.597 174.900 -0.051 0.000 1.370 434 G CA 0.023 45.110 45.100 -0.023 0.000 0.856 434 G HN 0.833 nan 8.290 nan 0.000 0.538 435 K N -0.476 119.895 120.400 -0.049 0.000 2.504 435 K HA 0.153 4.474 4.320 0.001 0.000 0.195 435 K C 1.194 177.782 176.600 -0.019 0.000 1.036 435 K CA 1.659 57.915 56.287 -0.052 0.000 0.984 435 K CB 0.235 32.706 32.500 -0.048 0.000 0.788 435 K HN 0.361 nan 8.250 nan 0.000 0.488 436 E N 1.019 121.208 120.200 -0.018 0.000 2.494 436 E HA 0.033 4.384 4.350 0.001 0.000 0.193 436 E C 0.133 176.745 176.600 0.020 0.000 1.074 436 E CA 0.330 56.734 56.400 0.007 0.000 0.867 436 E CB 0.568 30.269 29.700 0.002 0.000 0.924 436 E HN 0.333 nan 8.360 nan 0.000 0.502 437 T N -0.803 113.736 114.554 -0.026 0.000 2.647 437 T HA 0.331 4.681 4.350 0.001 0.000 0.295 437 T C -1.105 173.514 174.700 -0.135 0.000 1.126 437 T CA -0.961 61.097 62.100 -0.070 0.000 1.040 437 T CB 0.540 69.264 68.868 -0.239 0.000 1.472 437 T HN 0.197 nan 8.240 nan 0.000 0.500 438 W N 1.477 122.496 121.300 -0.467 0.000 2.079 438 W HA 0.458 5.119 4.660 0.001 0.000 0.354 438 W C -0.434 175.959 176.519 -0.210 0.000 1.302 438 W CA -0.325 56.714 57.345 -0.511 0.000 1.281 438 W CB -0.268 28.589 29.460 -1.006 0.000 1.165 438 W HN 0.639 nan 8.180 nan 0.000 0.603 439 H N 1.111 120.206 119.070 0.042 0.000 3.162 439 H HA 0.278 4.835 4.556 0.001 0.000 0.309 439 H C -1.360 174.009 175.328 0.068 0.000 1.156 439 H CA 0.046 56.051 56.048 -0.070 0.000 1.586 439 H CB 1.606 31.286 29.762 -0.137 0.000 1.740 439 H HN 0.487 nan 8.280 nan 0.000 0.525 440 S N 2.580 118.296 115.700 0.026 0.000 2.911 440 S HA 0.927 5.397 4.470 0.001 0.000 0.319 440 S C -1.298 173.311 174.600 0.016 0.000 1.154 440 S CA 0.006 58.268 58.200 0.103 0.000 0.857 440 S CB 1.813 65.156 63.200 0.239 0.000 1.279 440 S HN 0.743 nan 8.310 nan 0.000 0.593 441 A N 0.227 123.142 122.820 0.158 0.000 2.475 441 A HA 0.888 5.209 4.320 0.001 0.000 0.301 441 A C -0.320 177.370 177.584 0.176 0.000 1.059 441 A CA -0.219 51.796 52.037 -0.038 0.000 0.710 441 A CB 1.138 20.095 19.000 -0.073 0.000 1.288 441 A HN 1.212 nan 8.150 nan 0.000 0.408 442 A N 0.316 123.156 122.820 0.034 0.000 2.239 442 A HA 0.861 5.181 4.320 0.001 0.000 0.303 442 A C 0.114 177.796 177.584 0.163 0.000 1.114 442 A CA -0.310 51.834 52.037 0.178 0.000 0.871 442 A CB 0.553 19.650 19.000 0.162 0.000 1.201 442 A HN 0.962 nan 8.150 nan 0.000 0.506 443 T N 0.650 115.315 114.554 0.186 0.000 2.965 443 T HA 0.578 4.929 4.350 0.001 0.000 0.306 443 T C -0.435 174.347 174.700 0.137 0.000 0.991 443 T CA 0.183 62.406 62.100 0.206 0.000 1.001 443 T CB 1.105 70.119 68.868 0.243 0.000 0.984 443 T HN 1.099 nan 8.240 nan 0.000 0.446 444 A N 3.744 126.657 122.820 0.155 0.000 2.309 444 A HA 0.828 5.148 4.320 0.001 0.000 0.298 444 A C -0.457 177.226 177.584 0.164 0.000 1.165 444 A CA -0.471 51.655 52.037 0.147 0.000 0.821 444 A CB 0.066 19.197 19.000 0.217 0.000 1.102 444 A HN 0.783 nan 8.150 nan 0.000 0.500 445 I N 2.102 122.726 120.570 0.089 0.000 2.410 445 I HA 0.319 4.490 4.170 0.001 0.000 0.286 445 I C -1.177 174.908 176.117 -0.052 0.000 1.009 445 I CA 0.063 61.434 61.300 0.119 0.000 1.111 445 I CB 1.338 39.431 38.000 0.155 0.000 1.262 445 I HN 0.609 nan 8.210 nan 0.000 0.443 446 Y N 4.543 124.855 120.300 0.021 0.000 2.341 446 Y HA 0.610 5.161 4.550 0.001 0.000 0.337 446 Y C 0.017 175.756 175.900 -0.267 0.000 1.014 446 Y CA -0.411 57.676 58.100 -0.022 0.000 1.111 446 Y CB 1.640 40.180 38.460 0.134 0.000 1.194 446 Y HN 0.478 nan 8.280 nan 0.000 0.462 447 c N 3.220 121.593 118.600 -0.379 0.000 2.779 447 c HA 0.421 4.991 4.570 0.001 0.000 0.314 447 c C -0.295 173.122 174.090 -1.122 0.000 1.231 447 c CA -1.233 54.603 56.329 -0.822 0.000 1.652 447 c CB 1.600 43.815 42.510 -0.491 0.000 2.198 447 c HN 0.749 nan 8.230 nan 0.000 0.483 448 L N 4.139 124.497 121.223 -1.441 0.000 2.597 448 L HA 0.357 4.698 4.340 0.001 0.000 0.271 448 L C -0.017 176.611 176.870 -0.403 0.000 1.157 448 L CA 1.218 55.539 54.840 -0.866 0.000 0.928 448 L CB -0.275 41.440 42.059 -0.573 0.000 1.216 448 L HN 0.754 nan 8.230 nan 0.000 0.481 449 M N 4.652 124.108 119.600 -0.240 0.000 2.206 449 M HA 0.702 5.183 4.480 0.001 0.000 0.272 449 M C 0.137 176.409 176.300 -0.046 0.000 1.012 449 M CA -0.132 55.092 55.300 -0.126 0.000 0.986 449 M CB 1.319 33.843 32.600 -0.128 0.000 1.740 449 M HN 0.701 nan 8.290 nan 0.000 0.472 450 G N 2.211 110.999 108.800 -0.020 0.000 2.645 450 G HA2 -0.166 3.795 3.960 0.001 0.000 0.239 450 G HA3 -0.166 3.795 3.960 0.001 0.000 0.239 450 G C -0.830 174.095 174.900 0.041 0.000 1.331 450 G CA -0.004 45.102 45.100 0.009 0.000 0.890 450 G HN 1.095 nan 8.290 nan 0.000 0.572 451 S N -1.087 114.639 115.700 0.044 0.000 2.739 451 S HA 0.913 5.384 4.470 0.001 0.000 0.306 451 S C 0.895 175.534 174.600 0.066 0.000 1.115 451 S CA 1.324 59.562 58.200 0.063 0.000 0.985 451 S CB 1.085 64.312 63.200 0.046 0.000 1.133 451 S HN 2.848 nan 8.310 nan 0.000 0.541 452 G N -0.054 108.792 108.800 0.076 0.000 2.464 452 G HA2 0.281 4.241 3.960 0.001 0.000 0.216 452 G HA3 0.281 4.241 3.960 0.001 0.000 0.216 452 G C -0.448 174.508 174.900 0.093 0.000 1.186 452 G CA 0.281 45.422 45.100 0.069 0.000 1.010 452 G HN 1.398 nan 8.290 nan 0.000 0.585 453 Q N -1.097 118.754 119.800 0.084 0.000 2.353 453 Q HA 0.838 5.179 4.340 0.001 0.000 0.268 453 Q C 0.157 176.225 176.000 0.113 0.000 1.045 453 Q CA -0.193 55.669 55.803 0.098 0.000 0.811 453 Q CB 1.742 30.523 28.738 0.073 0.000 1.305 453 Q HN 1.989 nan 8.270 nan 0.000 0.447 454 L N 2.358 123.667 121.223 0.143 0.000 2.640 454 L HA -0.070 4.270 4.340 0.001 0.000 0.280 454 L C 0.195 177.163 176.870 0.164 0.000 1.229 454 L CA 0.109 55.051 54.840 0.170 0.000 0.919 454 L CB 0.467 42.625 42.059 0.166 0.000 1.168 454 L HN 0.857 nan 8.230 nan 0.000 0.496 455 L N 5.432 126.771 121.223 0.195 0.000 2.269 455 L HA 0.218 4.558 4.340 0.001 0.000 0.200 455 L C -0.047 177.022 176.870 0.331 0.000 1.069 455 L CA 0.917 55.863 54.840 0.177 0.000 0.804 455 L CB -0.529 41.573 42.059 0.070 0.000 0.987 455 L HN 0.599 nan 8.230 nan 0.000 0.468 456 W N 1.077 122.462 121.300 0.141 0.000 2.936 456 W HA 0.339 5.000 4.660 0.001 0.000 0.338 456 W C -0.392 176.264 176.519 0.229 0.000 1.121 456 W CA -1.727 55.699 57.345 0.135 0.000 1.209 456 W CB 1.118 30.629 29.460 0.084 0.000 1.420 456 W HN 0.083 nan 8.180 nan 0.000 0.516 457 D N 0.975 121.465 120.400 0.151 0.000 2.388 457 D HA 0.457 5.098 4.640 0.001 0.000 0.254 457 D C -0.616 175.679 176.300 -0.008 0.000 1.111 457 D CA -0.198 53.865 54.000 0.106 0.000 0.993 457 D CB 1.437 42.238 40.800 0.002 0.000 1.118 457 D HN 0.089 nan 8.370 nan 0.000 0.502 458 T N -0.351 114.260 114.554 0.095 0.000 2.888 458 T HA 0.534 4.885 4.350 0.001 0.000 0.284 458 T C -0.094 174.597 174.700 -0.015 0.000 1.017 458 T CA -0.734 61.386 62.100 0.032 0.000 1.022 458 T CB 1.467 70.429 68.868 0.157 0.000 1.013 458 T HN 0.499 nan 8.240 nan 0.000 0.465 459 V N -0.127 119.755 119.914 -0.053 0.000 2.962 459 V HA 0.681 4.802 4.120 0.001 0.000 0.313 459 V C 1.106 177.202 176.094 0.003 0.000 1.099 459 V CA -0.550 61.732 62.300 -0.030 0.000 0.971 459 V CB 1.342 33.125 31.823 -0.067 0.000 1.028 459 V HN 0.938 nan 8.190 nan 0.000 0.430 460 T N -1.233 113.346 114.554 0.042 0.000 2.985 460 T HA 0.224 4.575 4.350 0.001 0.000 0.266 460 T C 1.736 176.471 174.700 0.058 0.000 1.076 460 T CA 1.649 63.806 62.100 0.094 0.000 1.135 460 T CB -0.327 68.677 68.868 0.228 0.000 0.890 460 T HN 2.598 nan 8.240 nan 0.000 0.480 461 G N 0.599 109.414 108.800 0.026 0.000 2.184 461 G HA2 -0.247 3.714 3.960 0.001 0.000 0.264 461 G HA3 -0.247 3.714 3.960 0.001 0.000 0.264 461 G C 0.142 175.043 174.900 0.001 0.000 0.975 461 G CA 0.207 45.304 45.100 -0.004 0.000 0.642 461 G HN 0.789 nan 8.290 nan 0.000 0.536 462 V N 1.491 121.430 119.914 0.043 0.000 2.432 462 V HA 0.506 4.626 4.120 0.001 0.000 0.275 462 V C 0.014 176.127 176.094 0.033 0.000 1.043 462 V CA -0.375 61.938 62.300 0.022 0.000 0.925 462 V CB 1.766 33.577 31.823 -0.021 0.000 0.985 462 V HN 0.352 nan 8.190 nan 0.000 0.466 463 D N 4.612 125.026 120.400 0.023 0.000 2.329 463 D HA 0.322 4.963 4.640 0.001 0.000 0.232 463 D C 0.733 177.059 176.300 0.044 0.000 1.088 463 D CA -0.388 53.625 54.000 0.021 0.000 0.835 463 D CB 1.563 42.374 40.800 0.019 0.000 1.078 463 D HN 0.471 nan 8.370 nan 0.000 0.495 464 M N 2.612 122.202 119.600 -0.016 0.000 2.630 464 M HA 0.015 4.496 4.480 0.001 0.000 0.254 464 M C 1.595 177.896 176.300 0.001 0.000 1.092 464 M CA 0.348 55.606 55.300 -0.069 0.000 1.087 464 M CB 0.205 32.566 32.600 -0.398 0.000 1.453 464 M HN 0.470 nan 8.290 nan 0.000 0.509 465 A N 0.381 123.212 122.820 0.018 0.000 2.169 465 A HA 0.218 4.539 4.320 0.001 0.000 0.212 465 A C 1.120 178.757 177.584 0.088 0.000 1.153 465 A CA 0.248 52.310 52.037 0.042 0.000 0.756 465 A CB -0.142 18.869 19.000 0.018 0.000 0.813 465 A HN 0.341 nan 8.150 nan 0.000 0.471 466 L N 0.000 121.287 121.223 0.106 0.000 2.949 466 L HA 0.000 4.341 4.340 0.001 0.000 0.249 466 L CA 0.000 54.897 54.840 0.096 0.000 0.813 466 L CB 0.000 42.099 42.059 0.066 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502