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 1yc9_1_A DATA FIRST_RESID 63 DATA SEQUENCE WPSANWWQRY QDAQLNHLIE EALQHSPSLC MAMARLKGAQ GFARQAGAIR DATA SEQUENCE SFDLGLAASA TESKVSERYQ SATPPDGWND YGTLTLNFQY DFDFWGKNRA DATA SEQUENCE AVVAATSELA AAEAESVAAR LMISTSIANA YAELARLYAN QETVHAALQV DATA SEQUENCE RNKTVELLEK RYANGLETLG SVSQAKAVAA SVEAELLGIQ ESIQLQKNAL DATA SEQUENCE AALVGQGPDR AASIEEPHIT LTSRYXXXXX XXVGLLGHRA DITAARWRAE DATA SEQUENCE AAAQQVGIAQ AQFYPDVTLS AFIGYQAFGL DHLFDSGNDA GAIGPAIYLP DATA SEQUENCE LFTGGRLEGQ LTSAEARYQE AVAQYNGTLV QALHEIADVV TSSQALQARI DATA SEQUENCE NKTEQAVQQA EQALHIATNR YQGGLATYLD VLVAEESLLN NQRALVNLQS DATA SEQUENCE RAFSLDLALI HALGGGFE 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 63 W HA 0.000 nan 4.660 nan 0.000 0.303 63 W C 0.000 176.487 176.519 -0.053 0.000 1.175 63 W CA 0.000 57.327 57.345 -0.030 0.000 1.226 63 W CB 0.000 29.445 29.460 -0.025 0.000 1.126 64 P HA 0.167 nan 4.420 nan 0.000 0.253 64 P C 0.353 177.755 177.300 0.171 0.000 1.159 64 P CA 0.936 64.053 63.100 0.028 0.000 0.779 64 P CB 0.232 31.743 31.700 -0.315 0.000 0.745 65 S N 2.711 118.495 115.700 0.139 0.000 2.572 65 S HA 0.161 4.629 4.470 -0.002 0.000 0.262 65 S C 1.649 176.313 174.600 0.107 0.000 1.375 65 S CA 0.133 58.374 58.200 0.069 0.000 0.996 65 S CB 0.360 63.536 63.200 -0.040 0.000 0.892 65 S HN 0.469 nan 8.310 nan 0.000 0.562 66 A N 2.567 125.387 122.820 0.001 0.000 1.855 66 A HA 0.015 4.333 4.320 -0.002 0.000 0.215 66 A C 1.103 178.604 177.584 -0.138 0.000 1.191 66 A CA 1.105 53.160 52.037 0.029 0.000 0.613 66 A CB -0.563 18.391 19.000 -0.077 0.000 0.829 66 A HN 0.808 nan 8.150 nan 0.000 0.442 67 N N 1.130 119.526 118.700 -0.506 0.000 3.324 67 N HA 0.066 4.804 4.740 -0.002 0.000 0.302 67 N C 0.814 175.439 175.510 -1.476 0.000 1.360 67 N CA -0.160 52.027 53.050 -1.438 0.000 1.190 67 N CB -0.246 37.614 38.487 -1.044 0.000 1.462 67 N HN 0.836 nan 8.380 nan 0.000 0.532 68 W N -0.060 120.788 121.300 -0.754 0.000 2.421 68 W HA -0.144 4.515 4.660 -0.002 0.000 0.270 68 W C 0.777 177.148 176.519 -0.247 0.000 1.233 68 W CA -0.044 57.092 57.345 -0.348 0.000 1.226 68 W CB -1.176 28.227 29.460 -0.094 0.000 1.121 68 W HN 0.387 nan 8.180 nan 0.000 0.579 69 W N 1.912 122.894 121.300 -0.530 0.000 2.465 69 W HA 0.014 4.673 4.660 -0.002 0.000 0.268 69 W C 1.937 178.422 176.519 -0.057 0.000 1.242 69 W CA 1.336 58.552 57.345 -0.216 0.000 1.248 69 W CB -1.461 27.663 29.460 -0.560 0.000 1.118 69 W HN -0.037 nan 8.180 nan 0.000 0.587 70 Q N 1.385 120.933 119.800 -0.421 0.000 2.291 70 Q HA -0.200 4.139 4.340 -0.002 0.000 0.206 70 Q C 2.322 178.229 176.000 -0.155 0.000 0.976 70 Q CA 1.921 57.600 55.803 -0.206 0.000 0.875 70 Q CB -0.433 28.116 28.738 -0.314 0.000 0.927 70 Q HN 0.626 nan 8.270 nan 0.000 0.450 71 R N -0.280 120.056 120.500 -0.274 0.000 2.241 71 R HA -0.158 4.181 4.340 -0.002 0.000 0.224 71 R C 0.754 176.868 176.300 -0.309 0.000 1.101 71 R CA 1.255 57.169 56.100 -0.309 0.000 0.995 71 R CB -0.205 29.892 30.300 -0.338 0.000 0.870 71 R HN 0.254 nan 8.270 nan 0.000 0.463 72 Y N 0.806 121.171 120.300 0.109 0.000 2.546 72 Y HA 0.165 4.714 4.550 -0.002 0.000 0.287 72 Y C 0.422 176.345 175.900 0.037 0.000 1.158 72 Y CA 0.206 58.348 58.100 0.070 0.000 1.307 72 Y CB 0.012 38.529 38.460 0.094 0.000 1.036 72 Y HN 0.135 nan 8.280 nan 0.000 0.532 73 Q N 0.203 120.077 119.800 0.124 0.000 2.502 73 Q HA -0.225 4.114 4.340 -0.002 0.000 0.273 73 Q C -0.895 175.170 176.000 0.108 0.000 1.127 73 Q CA 0.908 56.760 55.803 0.081 0.000 0.952 73 Q CB -1.297 27.472 28.738 0.052 0.000 1.333 73 Q HN 0.368 nan 8.270 nan 0.000 0.494 74 D N -0.974 119.513 120.400 0.146 0.000 2.461 74 D HA 0.491 5.130 4.640 -0.002 0.000 0.240 74 D C 0.630 176.998 176.300 0.113 0.000 1.094 74 D CA 0.464 54.552 54.000 0.147 0.000 0.868 74 D CB 0.975 41.889 40.800 0.191 0.000 1.062 74 D HN 0.179 nan 8.370 nan 0.000 0.530 75 A N 3.830 126.710 122.820 0.101 0.000 1.969 75 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 75 A C 1.927 179.566 177.584 0.092 0.000 1.169 75 A CA 1.295 53.389 52.037 0.095 0.000 0.635 75 A CB -0.405 18.642 19.000 0.078 0.000 0.810 75 A HN 0.716 nan 8.150 nan 0.000 0.445 76 Q N -1.003 118.844 119.800 0.078 0.000 2.045 76 Q HA -0.306 4.033 4.340 -0.002 0.000 0.215 76 Q C 1.991 177.940 176.000 -0.086 0.000 1.026 76 Q CA 2.348 58.183 55.803 0.053 0.000 0.885 76 Q CB -0.376 28.445 28.738 0.139 0.000 0.984 76 Q HN 0.589 nan 8.270 nan 0.000 0.414 77 L N 1.217 122.282 121.223 -0.263 0.000 2.017 77 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 77 L C 1.753 178.468 176.870 -0.258 0.000 1.073 77 L CA 2.021 56.540 54.840 -0.535 0.000 0.745 77 L CB -0.888 40.862 42.059 -0.515 0.000 0.894 77 L HN 0.259 nan 8.230 nan 0.000 0.432 78 N N -0.831 117.852 118.700 -0.028 0.000 2.060 78 N HA -0.264 4.475 4.740 -0.002 0.000 0.195 78 N C 2.010 177.503 175.510 -0.028 0.000 1.028 78 N CA 1.768 54.868 53.050 0.083 0.000 0.861 78 N CB -0.686 37.917 38.487 0.192 0.000 1.029 78 N HN 0.547 nan 8.380 nan 0.000 0.428 79 H N 0.635 119.664 119.070 -0.067 0.000 2.357 79 H HA 0.055 4.610 4.556 -0.002 0.000 0.301 79 H C 2.143 177.403 175.328 -0.114 0.000 1.082 79 H CA 0.955 56.967 56.048 -0.061 0.000 1.342 79 H CB -0.061 29.683 29.762 -0.029 0.000 1.389 79 H HN 0.132 nan 8.280 nan 0.000 0.511 80 L N 0.169 121.374 121.223 -0.030 0.000 2.012 80 L HA -0.216 4.122 4.340 -0.002 0.000 0.210 80 L C 2.753 179.481 176.870 -0.237 0.000 1.073 80 L CA 1.191 55.970 54.840 -0.102 0.000 0.748 80 L CB -0.350 41.629 42.059 -0.133 0.000 0.891 80 L HN 0.235 nan 8.230 nan 0.000 0.431 81 I N -0.536 119.780 120.570 -0.424 0.000 2.202 81 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 81 I C 2.427 178.257 176.117 -0.478 0.000 1.091 81 I CA 1.200 62.116 61.300 -0.639 0.000 1.368 81 I CB -0.278 36.925 38.000 -1.328 0.000 1.058 81 I HN 0.263 nan 8.210 nan 0.000 0.410 82 E N 0.825 120.806 120.200 -0.365 0.000 2.085 82 E HA -0.268 4.081 4.350 -0.002 0.000 0.194 82 E C 2.055 178.541 176.600 -0.189 0.000 0.994 82 E CA 1.461 57.736 56.400 -0.210 0.000 0.801 82 E CB -0.093 29.504 29.700 -0.171 0.000 0.743 82 E HN 0.491 nan 8.360 nan 0.000 0.453 83 E N 0.440 120.511 120.200 -0.214 0.000 2.038 83 E HA -0.235 4.113 4.350 -0.002 0.000 0.195 83 E C 2.113 178.666 176.600 -0.078 0.000 1.000 83 E CA 1.118 57.444 56.400 -0.123 0.000 0.803 83 E CB -0.179 29.484 29.700 -0.061 0.000 0.750 83 E HN 0.274 nan 8.360 nan 0.000 0.448 84 A N 0.950 123.702 122.820 -0.114 0.000 1.933 84 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 84 A C 2.122 179.648 177.584 -0.097 0.000 1.175 84 A CA 1.081 53.056 52.037 -0.103 0.000 0.628 84 A CB -0.524 18.395 19.000 -0.135 0.000 0.814 84 A HN 0.155 nan 8.150 nan 0.000 0.444 85 L N -1.028 120.127 121.223 -0.114 0.000 2.478 85 L HA -0.075 4.264 4.340 -0.002 0.000 0.223 85 L C 2.629 179.486 176.870 -0.020 0.000 1.140 85 L CA 0.936 55.736 54.840 -0.067 0.000 0.842 85 L CB -0.253 41.771 42.059 -0.057 0.000 0.953 85 L HN 0.593 nan 8.230 nan 0.000 0.452 86 Q N -0.828 118.964 119.800 -0.013 0.000 2.200 86 Q HA -0.021 4.318 4.340 -0.002 0.000 0.197 86 Q C 0.289 176.347 176.000 0.096 0.000 0.953 86 Q CA 0.664 56.487 55.803 0.032 0.000 0.851 86 Q CB 0.723 29.472 28.738 0.018 0.000 0.938 86 Q HN 0.327 nan 8.270 nan 0.000 0.488 87 H N -0.261 118.791 119.070 -0.030 0.000 3.179 87 H HA 0.313 4.867 4.556 -0.002 0.000 0.331 87 H C -1.816 173.497 175.328 -0.025 0.000 1.013 87 H CA 0.091 56.127 56.048 -0.021 0.000 1.430 87 H CB 1.456 31.210 29.762 -0.014 0.000 1.895 87 H HN 0.288 nan 8.280 nan 0.000 0.468 88 S N 3.469 118.971 115.700 -0.331 0.000 2.578 88 S HA 0.292 4.760 4.470 -0.002 0.000 0.272 88 S C -2.754 171.689 174.600 -0.261 0.000 1.145 88 S CA -1.114 56.959 58.200 -0.212 0.000 0.835 88 S CB 2.545 65.683 63.200 -0.104 0.000 1.104 88 S HN 0.311 nan 8.310 nan 0.000 0.458 89 P HA -0.023 nan 4.420 nan 0.000 0.215 89 P C 1.467 178.707 177.300 -0.101 0.000 1.153 89 P CA 1.435 64.458 63.100 -0.128 0.000 0.853 89 P CB -0.030 31.628 31.700 -0.071 0.000 0.788 90 S N -0.720 114.930 115.700 -0.083 0.000 2.382 90 S HA -0.131 4.338 4.470 -0.002 0.000 0.228 90 S C 1.743 176.300 174.600 -0.072 0.000 1.027 90 S CA 0.874 59.036 58.200 -0.064 0.000 0.991 90 S CB -1.087 62.083 63.200 -0.050 0.000 0.823 90 S HN 0.056 nan 8.310 nan 0.000 0.469 91 L N 1.534 122.701 121.223 -0.094 0.000 1.989 91 L HA -0.128 4.211 4.340 -0.002 0.000 0.211 91 L C 2.267 179.083 176.870 -0.091 0.000 1.071 91 L CA 1.894 56.679 54.840 -0.092 0.000 0.749 91 L CB -1.028 40.967 42.059 -0.107 0.000 0.890 91 L HN 0.333 nan 8.230 nan 0.000 0.431 92 C N -0.499 118.724 119.300 -0.128 0.000 2.425 92 C HA -0.156 4.303 4.460 -0.002 0.000 0.277 92 C C 2.742 177.694 174.990 -0.062 0.000 1.280 92 C CA 1.163 60.119 59.018 -0.103 0.000 1.744 92 C CB -0.995 26.659 27.740 -0.143 0.000 1.989 92 C HN 0.609 nan 8.230 nan 0.000 0.491 93 M N 1.023 120.587 119.600 -0.060 0.000 2.132 93 M HA -0.109 4.370 4.480 -0.002 0.000 0.263 93 M C 2.594 178.874 176.300 -0.035 0.000 1.065 93 M CA 1.911 57.187 55.300 -0.040 0.000 1.122 93 M CB -0.520 32.058 32.600 -0.038 0.000 1.365 93 M HN 0.444 nan 8.290 nan 0.000 0.411 94 A N 0.344 123.140 122.820 -0.040 0.000 1.877 94 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 94 A C 2.127 179.692 177.584 -0.032 0.000 1.186 94 A CA 1.453 53.468 52.037 -0.036 0.000 0.620 94 A CB -0.490 18.485 19.000 -0.043 0.000 0.822 94 A HN 0.372 nan 8.150 nan 0.000 0.443 95 M N -0.416 119.164 119.600 -0.032 0.000 2.159 95 M HA -0.087 4.392 4.480 -0.002 0.000 0.263 95 M C 2.477 178.769 176.300 -0.013 0.000 1.063 95 M CA 1.475 56.763 55.300 -0.021 0.000 1.110 95 M CB -1.541 31.049 32.600 -0.017 0.000 1.374 95 M HN 0.499 nan 8.290 nan 0.000 0.411 96 A N 0.232 123.043 122.820 -0.015 0.000 1.902 96 A HA -0.153 4.165 4.320 -0.002 0.000 0.217 96 A C 2.317 179.897 177.584 -0.007 0.000 1.181 96 A CA 1.396 53.428 52.037 -0.009 0.000 0.623 96 A CB -0.568 18.426 19.000 -0.011 0.000 0.818 96 A HN 0.464 nan 8.150 nan 0.000 0.443 97 R N -1.179 119.313 120.500 -0.013 0.000 2.148 97 R HA -0.065 4.274 4.340 -0.002 0.000 0.227 97 R C 2.015 178.310 176.300 -0.009 0.000 1.103 97 R CA 1.229 57.321 56.100 -0.013 0.000 0.983 97 R CB -0.415 29.874 30.300 -0.018 0.000 0.874 97 R HN 0.507 nan 8.270 nan 0.000 0.451 98 L N 1.426 122.643 121.223 -0.010 0.000 2.068 98 L HA -0.083 4.256 4.340 -0.002 0.000 0.204 98 L C 2.172 179.044 176.870 0.003 0.000 1.076 98 L CA 1.802 56.638 54.840 -0.007 0.000 0.753 98 L CB -0.407 41.645 42.059 -0.012 0.000 0.910 98 L HN -0.076 nan 8.230 nan 0.000 0.439 99 K N -0.692 119.711 120.400 0.005 0.000 2.103 99 K HA -0.138 4.180 4.320 -0.002 0.000 0.207 99 K C 1.957 178.570 176.600 0.023 0.000 1.048 99 K CA 1.350 57.644 56.287 0.012 0.000 0.930 99 K CB -0.571 31.936 32.500 0.010 0.000 0.716 99 K HN 0.509 nan 8.250 nan 0.000 0.444 100 G N 0.528 109.341 108.800 0.022 0.000 2.446 100 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.217 100 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.217 100 G C 1.578 176.519 174.900 0.069 0.000 1.168 100 G CA 0.980 46.102 45.100 0.036 0.000 0.771 100 G HN 0.442 nan 8.290 nan 0.000 0.551 101 A N 0.229 123.079 122.820 0.050 0.000 1.972 101 A HA -0.069 4.249 4.320 -0.002 0.000 0.219 101 A C 2.340 179.986 177.584 0.104 0.000 1.169 101 A CA 1.969 54.055 52.037 0.081 0.000 0.635 101 A CB -0.392 18.625 19.000 0.030 0.000 0.810 101 A HN 0.486 nan 8.150 nan 0.000 0.446 102 Q N -0.780 119.052 119.800 0.053 0.000 2.050 102 Q HA -0.109 4.230 4.340 -0.002 0.000 0.202 102 Q C 2.259 178.281 176.000 0.036 0.000 0.980 102 Q CA 1.328 57.150 55.803 0.031 0.000 0.840 102 Q CB -0.510 28.235 28.738 0.012 0.000 0.898 102 Q HN 0.669 nan 8.270 nan 0.000 0.424 103 G N 0.330 109.160 108.800 0.050 0.000 2.442 103 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.219 103 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.219 103 G C 1.183 176.120 174.900 0.063 0.000 1.141 103 G CA 0.580 45.707 45.100 0.045 0.000 0.763 103 G HN 0.327 nan 8.290 nan 0.000 0.554 104 F N 2.349 122.288 119.950 -0.018 0.000 2.146 104 F HA 0.143 4.669 4.527 -0.002 0.000 0.298 104 F C 2.741 178.528 175.800 -0.021 0.000 1.096 104 F CA 1.191 59.181 58.000 -0.017 0.000 1.275 104 F CB -0.289 38.702 39.000 -0.014 0.000 1.008 104 F HN 0.218 nan 8.300 nan 0.000 0.480 105 A N 0.454 123.264 122.820 -0.017 0.000 1.902 105 A HA -0.205 4.114 4.320 -0.002 0.000 0.217 105 A C 2.217 179.700 177.584 -0.168 0.000 1.181 105 A CA 1.803 53.773 52.037 -0.111 0.000 0.623 105 A CB -0.805 18.186 19.000 -0.016 0.000 0.818 105 A HN 0.412 nan 8.150 nan 0.000 0.443 106 R N 0.022 120.454 120.500 -0.114 0.000 2.080 106 R HA -0.174 4.165 4.340 -0.002 0.000 0.236 106 R C 2.308 178.517 176.300 -0.151 0.000 1.137 106 R CA 2.305 58.340 56.100 -0.107 0.000 0.943 106 R CB -0.658 29.603 30.300 -0.064 0.000 0.846 106 R HN 0.691 nan 8.270 nan 0.000 0.431 107 Q N -0.615 119.071 119.800 -0.190 0.000 2.096 107 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 107 Q C 2.151 177.980 176.000 -0.284 0.000 0.982 107 Q CA 1.864 57.538 55.803 -0.215 0.000 0.850 107 Q CB -0.291 28.311 28.738 -0.225 0.000 0.901 107 Q HN 0.502 nan 8.270 nan 0.000 0.422 108 A N 1.008 123.561 122.820 -0.444 0.000 1.877 108 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 108 A C 2.350 179.806 177.584 -0.214 0.000 1.186 108 A CA 1.609 53.414 52.037 -0.387 0.000 0.620 108 A CB -1.291 17.420 19.000 -0.482 0.000 0.822 108 A HN 0.494 nan 8.150 nan 0.000 0.443 109 G N -0.469 108.223 108.800 -0.180 0.000 2.462 109 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.220 109 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.220 109 G C 1.622 176.454 174.900 -0.114 0.000 1.121 109 G CA 1.360 46.386 45.100 -0.124 0.000 0.758 109 G HN 0.863 nan 8.290 nan 0.000 0.559 110 A N 0.605 123.351 122.820 -0.123 0.000 2.076 110 A HA -0.013 4.306 4.320 -0.002 0.000 0.220 110 A C 2.260 179.784 177.584 -0.099 0.000 1.160 110 A CA 1.218 53.190 52.037 -0.108 0.000 0.653 110 A CB -0.334 18.605 19.000 -0.101 0.000 0.801 110 A HN 0.453 nan 8.150 nan 0.000 0.455 111 I N -1.047 119.462 120.570 -0.102 0.000 2.567 111 I HA -0.204 3.965 4.170 -0.002 0.000 0.257 111 I C 2.090 178.155 176.117 -0.087 0.000 1.184 111 I CA 1.027 62.271 61.300 -0.093 0.000 1.451 111 I CB -0.054 37.893 38.000 -0.087 0.000 1.089 111 I HN 0.304 nan 8.210 nan 0.000 0.441 112 R N 0.085 120.543 120.500 -0.071 0.000 2.300 112 R HA 0.087 4.425 4.340 -0.002 0.000 0.199 112 R C 1.040 177.351 176.300 0.018 0.000 0.920 112 R CA 0.289 56.369 56.100 -0.033 0.000 1.046 112 R CB 0.061 30.341 30.300 -0.033 0.000 0.984 112 R HN 0.356 nan 8.270 nan 0.000 0.493 113 S N 0.626 116.293 115.700 -0.054 0.000 2.669 113 S HA 0.298 4.767 4.470 -0.002 0.000 0.270 113 S C 0.268 174.872 174.600 0.006 0.000 1.225 113 S CA -1.059 57.055 58.200 -0.142 0.000 0.991 113 S CB 0.579 63.631 63.200 -0.248 0.000 0.987 113 S HN 0.151 nan 8.310 nan 0.000 0.552 114 F N 0.034 120.013 119.950 0.048 0.000 2.378 114 F HA 0.676 5.202 4.527 -0.003 0.000 0.319 114 F C 0.241 175.951 175.800 -0.149 0.000 1.155 114 F CA -1.425 56.520 58.000 -0.092 0.000 1.157 114 F CB 0.147 39.008 39.000 -0.231 0.000 1.252 114 F HN 0.615 nan 8.300 nan 0.000 0.550 115 D N 1.138 121.567 120.400 0.048 0.000 2.619 115 D HA 0.571 5.210 4.640 -0.002 0.000 0.241 115 D C -1.667 174.646 176.300 0.022 0.000 1.087 115 D CA -0.333 53.684 54.000 0.028 0.000 0.851 115 D CB 2.085 42.858 40.800 -0.045 0.000 1.474 115 D HN 0.656 nan 8.370 nan 0.000 0.478 116 L N 1.959 123.245 121.223 0.106 0.000 2.401 116 L HA 0.762 5.101 4.340 -0.002 0.000 0.266 116 L C 0.241 177.166 176.870 0.091 0.000 0.991 116 L CA -0.668 54.252 54.840 0.133 0.000 0.818 116 L CB 2.472 44.642 42.059 0.184 0.000 1.321 116 L HN 0.512 nan 8.230 nan 0.000 0.413 117 G N 1.868 110.721 108.800 0.089 0.000 2.704 117 G HA2 0.595 4.553 3.960 -0.002 0.000 0.293 117 G HA3 0.595 4.553 3.960 -0.002 0.000 0.293 117 G C -2.305 172.642 174.900 0.079 0.000 1.421 117 G CA -0.564 44.578 45.100 0.070 0.000 0.870 117 G HN 0.507 nan 8.290 nan 0.000 0.492 118 L N 0.909 122.173 121.223 0.070 0.000 2.329 118 L HA 0.881 5.220 4.340 -0.002 0.000 0.279 118 L C -0.033 176.875 176.870 0.063 0.000 1.014 118 L CA -0.860 54.027 54.840 0.078 0.000 0.814 118 L CB 1.653 43.759 42.059 0.079 0.000 1.257 118 L HN 0.781 nan 8.230 nan 0.000 0.424 119 A N 4.214 127.074 122.820 0.067 0.000 2.371 119 A HA 0.949 5.267 4.320 -0.002 0.000 0.311 119 A C -1.028 176.590 177.584 0.057 0.000 1.068 119 A CA -0.098 51.966 52.037 0.045 0.000 0.744 119 A CB 1.701 20.713 19.000 0.020 0.000 1.239 119 A HN 1.016 nan 8.150 nan 0.000 0.435 120 A N 1.031 123.878 122.820 0.045 0.000 2.587 120 A HA 0.957 5.275 4.320 -0.002 0.000 0.293 120 A C -0.370 177.232 177.584 0.030 0.000 1.087 120 A CA 0.081 52.148 52.037 0.050 0.000 0.692 120 A CB 1.439 20.477 19.000 0.062 0.000 1.291 120 A HN 2.402 nan 8.150 nan 0.000 0.407 121 S N -0.457 115.260 115.700 0.028 0.000 2.537 121 S HA 0.869 5.338 4.470 -0.002 0.000 0.270 121 S C -0.795 173.821 174.600 0.026 0.000 1.142 121 S CA -0.054 58.159 58.200 0.022 0.000 0.870 121 S CB 1.489 64.696 63.200 0.012 0.000 1.112 121 S HN 2.420 nan 8.310 nan 0.000 0.466 122 A N 1.554 124.392 122.820 0.029 0.000 2.398 122 A HA 0.866 5.184 4.320 -0.002 0.000 0.301 122 A C -0.535 177.082 177.584 0.055 0.000 1.041 122 A CA -0.709 51.350 52.037 0.037 0.000 0.711 122 A CB 1.686 20.696 19.000 0.018 0.000 1.240 122 A HN 0.916 nan 8.150 nan 0.000 0.420 123 T N 1.499 116.109 114.554 0.092 0.000 2.916 123 T HA 0.502 4.851 4.350 -0.002 0.000 0.298 123 T C -0.990 173.820 174.700 0.184 0.000 1.031 123 T CA -0.301 61.868 62.100 0.115 0.000 0.993 123 T CB 1.693 70.607 68.868 0.078 0.000 1.045 123 T HN 0.679 nan 8.240 nan 0.000 0.454 124 E N 1.634 121.950 120.200 0.193 0.000 2.134 124 E HA 0.579 4.928 4.350 -0.002 0.000 0.278 124 E C -0.869 175.932 176.600 0.335 0.000 0.959 124 E CA -0.245 56.324 56.400 0.281 0.000 0.783 124 E CB 0.956 30.830 29.700 0.290 0.000 1.095 124 E HN 0.544 nan 8.360 nan 0.000 0.399 125 S N 4.242 120.093 115.700 0.253 0.000 2.540 125 S HA 0.488 4.957 4.470 -0.002 0.000 0.275 125 S C -1.546 172.845 174.600 -0.348 0.000 1.123 125 S CA -0.946 57.203 58.200 -0.085 0.000 0.907 125 S CB 0.827 63.965 63.200 -0.104 0.000 1.081 125 S HN 0.378 nan 8.310 nan 0.000 0.476 126 K N 4.110 123.964 120.400 -0.909 0.000 2.358 126 K HA 0.545 4.864 4.320 -0.002 0.000 0.260 126 K C -1.233 175.097 176.600 -0.451 0.000 0.956 126 K CA -0.556 55.202 56.287 -0.881 0.000 0.834 126 K CB 1.524 33.080 32.500 -1.572 0.000 1.102 126 K HN 0.573 nan 8.250 nan 0.000 0.431 127 V N 2.360 122.141 119.914 -0.222 0.000 2.567 127 V HA 0.122 4.241 4.120 -0.002 0.000 0.289 127 V C 0.654 176.698 176.094 -0.082 0.000 1.049 127 V CA -0.537 61.699 62.300 -0.107 0.000 0.969 127 V CB 1.561 33.372 31.823 -0.020 0.000 0.995 127 V HN 0.877 nan 8.190 nan 0.000 0.471 128 S N 2.249 117.921 115.700 -0.046 0.000 2.558 128 S HA 0.024 4.493 4.470 -0.002 0.000 0.288 128 S C 1.123 175.742 174.600 0.032 0.000 1.318 128 S CA -0.049 58.139 58.200 -0.020 0.000 1.056 128 S CB 0.376 63.552 63.200 -0.039 0.000 0.853 128 S HN 0.821 nan 8.310 nan 0.000 0.505 129 E N 2.584 122.797 120.200 0.022 0.000 2.208 129 E HA -0.012 4.337 4.350 -0.002 0.000 0.193 129 E C 0.875 177.502 176.600 0.046 0.000 0.988 129 E CA 0.592 57.009 56.400 0.029 0.000 0.828 129 E CB 0.184 29.897 29.700 0.021 0.000 0.763 129 E HN 0.488 nan 8.360 nan 0.000 0.478 130 R N -0.284 120.257 120.500 0.067 0.000 2.718 130 R HA 0.111 4.449 4.340 -0.002 0.000 0.266 130 R C -1.074 175.318 176.300 0.152 0.000 1.776 130 R CA -0.107 56.040 56.100 0.078 0.000 1.567 130 R CB 0.370 30.700 30.300 0.050 0.000 1.336 130 R HN 0.038 nan 8.270 nan 0.000 0.619 131 Y N 0.624 120.915 120.300 -0.016 0.000 3.196 131 Y HA 0.261 4.810 4.550 -0.002 0.000 0.151 131 Y C 0.509 176.399 175.900 -0.016 0.000 0.881 131 Y CA 0.717 58.807 58.100 -0.017 0.000 1.879 131 Y CB 0.787 39.233 38.460 -0.024 0.000 1.346 131 Y HN 0.277 nan 8.280 nan 0.000 0.308 132 Q N -0.267 119.392 119.800 -0.235 0.000 2.211 132 Q HA 0.277 4.616 4.340 -0.002 0.000 0.242 132 Q C -0.369 175.552 176.000 -0.132 0.000 0.825 132 Q CA 0.055 55.661 55.803 -0.327 0.000 0.951 132 Q CB 1.446 29.864 28.738 -0.533 0.000 1.130 132 Q HN 0.152 nan 8.270 nan 0.000 0.496 133 S N -0.686 114.983 115.700 -0.052 0.000 2.473 133 S HA 0.563 5.032 4.470 -0.002 0.000 0.307 133 S C 0.401 174.992 174.600 -0.015 0.000 1.094 133 S CA -0.240 57.943 58.200 -0.028 0.000 1.070 133 S CB 1.554 64.750 63.200 -0.008 0.000 1.019 133 S HN 0.275 nan 8.310 nan 0.000 0.480 134 A N 3.054 125.863 122.820 -0.019 0.000 2.067 134 A HA 0.157 4.476 4.320 -0.002 0.000 0.217 134 A C 1.320 178.899 177.584 -0.008 0.000 1.156 134 A CA 1.279 53.309 52.037 -0.011 0.000 0.683 134 A CB -0.401 18.590 19.000 -0.014 0.000 0.808 134 A HN 1.048 nan 8.150 nan 0.000 0.455 135 T N -0.783 113.763 114.554 -0.012 0.000 3.514 135 T HA 0.466 4.815 4.350 -0.002 0.000 0.259 135 T C -2.719 171.972 174.700 -0.015 0.000 1.466 135 T CA -1.580 60.511 62.100 -0.015 0.000 1.562 135 T CB 0.576 69.429 68.868 -0.025 0.000 0.924 135 T HN 0.171 nan 8.240 nan 0.000 0.678 136 P HA 0.374 nan 4.420 nan 0.000 0.275 136 P C -2.351 174.960 177.300 0.017 0.000 1.228 136 P CA -1.085 62.024 63.100 0.015 0.000 0.786 136 P CB 0.224 31.939 31.700 0.024 0.000 0.927 137 P HA 0.181 nan 4.420 nan 0.000 0.272 137 P C -0.550 176.799 177.300 0.081 0.000 1.230 137 P CA 0.065 63.203 63.100 0.063 0.000 0.788 137 P CB 0.627 32.438 31.700 0.186 0.000 0.949 138 D N -0.112 120.340 120.400 0.086 0.000 2.210 138 D HA 0.428 5.066 4.640 -0.002 0.000 0.249 138 D C 1.107 177.466 176.300 0.098 0.000 1.078 138 D CA 0.688 54.733 54.000 0.074 0.000 0.875 138 D CB 1.173 42.015 40.800 0.071 0.000 1.175 138 D HN 0.688 nan 8.370 nan 0.000 0.440 139 G N 1.357 110.201 108.800 0.073 0.000 2.598 139 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.244 139 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.244 139 G C -1.047 173.889 174.900 0.061 0.000 1.302 139 G CA -0.527 44.647 45.100 0.124 0.000 0.903 139 G HN 0.450 nan 8.290 nan 0.000 0.575 140 W N 1.406 122.744 121.300 0.063 0.000 2.361 140 W HA 0.646 5.304 4.660 -0.003 0.000 0.309 140 W C 0.359 176.895 176.519 0.028 0.000 1.122 140 W CA -0.272 57.108 57.345 0.059 0.000 1.208 140 W CB 1.053 30.532 29.460 0.032 0.000 1.246 140 W HN 0.713 nan 8.180 nan 0.000 0.490 141 N N 2.016 120.817 118.700 0.167 0.000 2.321 141 N HA 0.271 5.010 4.740 -0.002 0.000 0.290 141 N C -1.376 174.028 175.510 -0.177 0.000 1.212 141 N CA -1.011 51.968 53.050 -0.118 0.000 0.767 141 N CB 1.649 39.914 38.487 -0.369 0.000 1.494 141 N HN 0.299 nan 8.380 nan 0.000 0.479 142 D N 0.327 120.477 120.400 -0.416 0.000 2.175 142 D HA 0.260 4.899 4.640 -0.002 0.000 0.248 142 D C -0.985 174.975 176.300 -0.568 0.000 1.047 142 D CA 0.000 53.837 54.000 -0.273 0.000 0.883 142 D CB 0.998 41.688 40.800 -0.183 0.000 1.180 142 D HN 0.384 nan 8.370 nan 0.000 0.438 143 Y N -0.444 119.779 120.300 -0.130 0.000 2.545 143 Y HA 0.614 5.163 4.550 -0.002 0.000 0.348 143 Y C 0.728 176.597 175.900 -0.052 0.000 1.002 143 Y CA -0.885 57.167 58.100 -0.080 0.000 1.039 143 Y CB 2.894 41.335 38.460 -0.031 0.000 1.271 143 Y HN 0.670 nan 8.280 nan 0.000 0.467 144 G N 0.062 108.930 108.800 0.113 0.000 2.660 144 G HA2 0.623 4.582 3.960 -0.002 0.000 0.294 144 G HA3 0.623 4.582 3.960 -0.002 0.000 0.294 144 G C -1.325 173.609 174.900 0.057 0.000 1.369 144 G CA -0.893 44.234 45.100 0.045 0.000 0.912 144 G HN 0.657 nan 8.290 nan 0.000 0.479 145 T N -1.960 112.620 114.554 0.043 0.000 2.903 145 T HA 0.728 5.077 4.350 -0.002 0.000 0.299 145 T C -1.500 173.248 174.700 0.081 0.000 1.093 145 T CA -0.828 61.313 62.100 0.069 0.000 1.002 145 T CB 2.005 70.903 68.868 0.050 0.000 1.127 145 T HN 1.416 nan 8.240 nan 0.000 0.488 146 L N 1.934 123.254 121.223 0.162 0.000 2.639 146 L HA 0.721 5.060 4.340 -0.002 0.000 0.264 146 L C -0.728 176.301 176.870 0.265 0.000 0.948 146 L CA 0.143 55.103 54.840 0.201 0.000 0.912 146 L CB 1.786 43.994 42.059 0.248 0.000 1.294 146 L HN 1.277 nan 8.230 nan 0.000 0.412 147 T N 2.374 117.042 114.554 0.190 0.000 2.903 147 T HA 0.742 5.091 4.350 -0.002 0.000 0.299 147 T C -1.173 173.629 174.700 0.171 0.000 1.093 147 T CA -0.843 61.382 62.100 0.208 0.000 1.002 147 T CB 1.648 70.640 68.868 0.206 0.000 1.127 147 T HN 0.389 nan 8.240 nan 0.000 0.488 148 L N 2.821 124.151 121.223 0.179 0.000 2.295 148 L HA 0.615 4.954 4.340 -0.002 0.000 0.285 148 L C -0.387 176.597 176.870 0.191 0.000 1.035 148 L CA -0.406 54.523 54.840 0.148 0.000 0.806 148 L CB 1.141 43.264 42.059 0.107 0.000 1.214 148 L HN 0.744 nan 8.230 nan 0.000 0.426 149 N N 3.104 121.909 118.700 0.174 0.000 2.272 149 N HA 0.603 5.342 4.740 -0.002 0.000 0.305 149 N C -1.318 174.330 175.510 0.229 0.000 1.103 149 N CA -0.297 52.875 53.050 0.203 0.000 0.791 149 N CB 2.510 41.069 38.487 0.120 0.000 1.356 149 N HN 0.400 nan 8.380 nan 0.000 0.486 150 F N 0.515 120.497 119.950 0.054 0.000 2.581 150 F HA 0.470 4.995 4.527 -0.003 0.000 0.311 150 F C -1.097 174.726 175.800 0.038 0.000 1.113 150 F CA -0.506 57.501 58.000 0.013 0.000 0.935 150 F CB 1.744 40.708 39.000 -0.060 0.000 1.232 150 F HN 0.361 nan 8.300 nan 0.000 0.445 151 Q N 4.766 124.156 119.800 -0.683 0.000 2.345 151 Q HA 0.451 4.789 4.340 -0.002 0.000 0.275 151 Q C -2.412 173.203 176.000 -0.641 0.000 1.063 151 Q CA -0.854 54.659 55.803 -0.483 0.000 0.819 151 Q CB 2.528 31.154 28.738 -0.188 0.000 1.356 151 Q HN 0.744 nan 8.270 nan 0.000 0.418 152 Y N 2.112 122.108 120.300 -0.507 0.000 2.401 152 Y HA 0.363 4.912 4.550 -0.002 0.000 0.330 152 Y C -1.744 173.975 175.900 -0.303 0.000 1.071 152 Y CA -1.134 56.741 58.100 -0.375 0.000 1.049 152 Y CB 1.841 40.131 38.460 -0.283 0.000 1.239 152 Y HN 0.668 nan 8.280 nan 0.000 0.437 153 D N 4.847 124.675 120.400 -0.954 0.000 2.313 153 D HA 0.163 4.802 4.640 -0.002 0.000 0.239 153 D C 0.494 176.121 176.300 -1.121 0.000 1.142 153 D CA 0.063 53.625 54.000 -0.730 0.000 0.847 153 D CB 0.509 41.068 40.800 -0.402 0.000 1.082 153 D HN 0.600 nan 8.370 nan 0.000 0.480 154 F N 1.596 121.202 119.950 -0.573 0.000 2.216 154 F HA -0.120 4.407 4.527 -0.001 0.000 0.300 154 F C 1.529 176.987 175.800 -0.569 0.000 1.085 154 F CA 0.813 58.489 58.000 -0.540 0.000 1.326 154 F CB 0.012 38.713 39.000 -0.497 0.000 1.027 154 F HN 0.370 nan 8.300 nan 0.000 0.497 155 D N -1.430 118.841 120.400 -0.214 0.000 2.746 155 D HA -0.237 4.401 4.640 -0.002 0.000 0.236 155 D C 0.760 176.910 176.300 -0.251 0.000 1.129 155 D CA 0.301 54.206 54.000 -0.159 0.000 0.691 155 D CB -1.645 39.078 40.800 -0.128 0.000 1.077 155 D HN 0.262 nan 8.370 nan 0.000 0.432 156 F N -1.543 118.265 119.950 -0.236 0.000 2.269 156 F HA -0.048 4.478 4.527 -0.002 0.000 0.301 156 F C 1.798 177.070 175.800 -0.881 0.000 1.082 156 F CA 1.019 58.633 58.000 -0.642 0.000 1.360 156 F CB -0.133 38.292 39.000 -0.959 0.000 1.041 156 F HN 0.247 nan 8.300 nan 0.000 0.512 157 W N -1.015 120.372 121.300 0.145 0.000 3.220 157 W HA 0.423 5.081 4.660 -0.002 0.000 0.328 157 W C 1.610 178.115 176.519 -0.022 0.000 1.205 157 W CA 0.447 57.793 57.345 0.002 0.000 1.773 157 W CB -0.154 29.252 29.460 -0.090 0.000 1.086 157 W HN 0.012 nan 8.180 nan 0.000 0.622 158 G N 1.009 109.866 108.800 0.096 0.000 2.159 158 G HA2 -0.420 3.539 3.960 -0.002 0.000 0.256 158 G HA3 -0.420 3.539 3.960 -0.002 0.000 0.256 158 G C 1.239 176.184 174.900 0.076 0.000 0.977 158 G CA 0.754 45.891 45.100 0.061 0.000 0.652 158 G HN 0.323 nan 8.290 nan 0.000 0.531 159 K N 0.152 120.623 120.400 0.119 0.000 2.044 159 K HA -0.194 4.125 4.320 -0.002 0.000 0.210 159 K C 2.331 178.963 176.600 0.053 0.000 1.049 159 K CA 1.985 58.332 56.287 0.099 0.000 0.927 159 K CB -0.201 32.381 32.500 0.135 0.000 0.713 159 K HN 0.421 nan 8.250 nan 0.000 0.443 160 N N 0.334 119.051 118.700 0.028 0.000 2.250 160 N HA -0.123 4.616 4.740 -0.002 0.000 0.181 160 N C 1.735 177.241 175.510 -0.007 0.000 1.017 160 N CA 0.864 53.911 53.050 -0.005 0.000 0.866 160 N CB -0.284 38.177 38.487 -0.042 0.000 0.985 160 N HN 0.242 nan 8.380 nan 0.000 0.429 161 R N 0.974 121.473 120.500 -0.001 0.000 2.091 161 R HA -0.058 4.281 4.340 -0.002 0.000 0.238 161 R C 1.896 178.205 176.300 0.016 0.000 1.136 161 R CA 1.541 57.642 56.100 0.002 0.000 0.959 161 R CB -0.216 30.087 30.300 0.006 0.000 0.856 161 R HN 0.183 nan 8.270 nan 0.000 0.437 162 A N 0.477 123.314 122.820 0.028 0.000 1.972 162 A HA -0.084 4.234 4.320 -0.002 0.000 0.219 162 A C 2.312 179.921 177.584 0.042 0.000 1.169 162 A CA 1.573 53.633 52.037 0.038 0.000 0.635 162 A CB -0.651 18.375 19.000 0.044 0.000 0.810 162 A HN 0.558 nan 8.150 nan 0.000 0.446 163 A N -0.525 122.314 122.820 0.032 0.000 1.902 163 A HA 0.004 4.322 4.320 -0.002 0.000 0.217 163 A C 2.196 179.788 177.584 0.014 0.000 1.181 163 A CA 1.804 53.858 52.037 0.029 0.000 0.623 163 A CB -0.818 18.188 19.000 0.009 0.000 0.818 163 A HN 0.398 nan 8.150 nan 0.000 0.443 164 V N -0.409 119.500 119.914 -0.008 0.000 2.453 164 V HA -0.182 3.936 4.120 -0.002 0.000 0.247 164 V C 2.532 178.629 176.094 0.005 0.000 1.048 164 V CA 1.713 63.998 62.300 -0.025 0.000 1.049 164 V CB -0.693 31.107 31.823 -0.039 0.000 0.672 164 V HN 0.355 nan 8.190 nan 0.000 0.457 165 V N 0.627 120.558 119.914 0.028 0.000 2.392 165 V HA -0.278 3.841 4.120 -0.002 0.000 0.249 165 V C 2.729 178.873 176.094 0.084 0.000 1.059 165 V CA 2.050 64.383 62.300 0.055 0.000 1.051 165 V CB -1.161 30.703 31.823 0.068 0.000 0.658 165 V HN 0.560 nan 8.190 nan 0.000 0.455 166 A N -0.004 122.870 122.820 0.091 0.000 1.902 166 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 166 A C 2.419 180.088 177.584 0.143 0.000 1.181 166 A CA 2.076 54.187 52.037 0.124 0.000 0.623 166 A CB -0.749 18.325 19.000 0.124 0.000 0.818 166 A HN 0.570 nan 8.150 nan 0.000 0.443 167 A N -0.358 122.542 122.820 0.134 0.000 1.930 167 A HA -0.057 4.262 4.320 -0.002 0.000 0.217 167 A C 2.402 180.042 177.584 0.093 0.000 1.175 167 A CA 2.354 54.503 52.037 0.188 0.000 0.627 167 A CB -1.262 17.752 19.000 0.024 0.000 0.815 167 A HN 0.745 nan 8.150 nan 0.000 0.443 168 T N -3.156 111.406 114.554 0.013 0.000 2.951 168 T HA -0.050 4.299 4.350 -0.002 0.000 0.268 168 T C 1.949 176.550 174.700 -0.164 0.000 1.073 168 T CA 1.592 63.651 62.100 -0.068 0.000 1.134 168 T CB -0.392 68.430 68.868 -0.077 0.000 0.884 168 T HN 0.251 nan 8.240 nan 0.000 0.479 169 S N 1.357 117.019 115.700 -0.064 0.000 2.383 169 S HA -0.053 4.416 4.470 -0.002 0.000 0.227 169 S C 2.118 176.699 174.600 -0.032 0.000 1.026 169 S CA 0.821 58.997 58.200 -0.040 0.000 0.981 169 S CB -0.280 63.097 63.200 0.296 0.000 0.818 169 S HN 0.506 nan 8.310 nan 0.000 0.472 170 E N 1.054 121.280 120.200 0.042 0.000 2.110 170 E HA -0.097 4.252 4.350 -0.002 0.000 0.193 170 E C 2.094 178.682 176.600 -0.020 0.000 0.988 170 E CA 0.606 57.032 56.400 0.042 0.000 0.804 170 E CB -0.420 29.324 29.700 0.073 0.000 0.745 170 E HN 0.350 nan 8.360 nan 0.000 0.458 171 L N 0.993 122.188 121.223 -0.047 0.000 2.056 171 L HA -0.054 4.284 4.340 -0.002 0.000 0.207 171 L C 2.209 178.968 176.870 -0.185 0.000 1.078 171 L CA 2.022 56.814 54.840 -0.080 0.000 0.749 171 L CB -0.748 41.270 42.059 -0.068 0.000 0.901 171 L HN 0.016 nan 8.230 nan 0.000 0.433 172 A N -0.436 122.149 122.820 -0.392 0.000 1.933 172 A HA -0.097 4.222 4.320 -0.002 0.000 0.218 172 A C 2.445 179.817 177.584 -0.353 0.000 1.175 172 A CA 1.766 53.427 52.037 -0.627 0.000 0.628 172 A CB -1.108 16.873 19.000 -1.697 0.000 0.814 172 A HN 0.589 nan 8.150 nan 0.000 0.444 173 A N -0.170 122.551 122.820 -0.166 0.000 1.898 173 A HA 0.200 4.519 4.320 -0.002 0.000 0.216 173 A C 2.487 180.086 177.584 0.026 0.000 1.181 173 A CA 1.903 53.980 52.037 0.066 0.000 0.620 173 A CB -0.960 18.126 19.000 0.143 0.000 0.819 173 A HN 1.047 nan 8.150 nan 0.000 0.442 174 A N -0.150 122.660 122.820 -0.017 0.000 1.933 174 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 174 A C 1.894 179.468 177.584 -0.016 0.000 1.175 174 A CA 1.669 53.698 52.037 -0.014 0.000 0.628 174 A CB -0.492 18.497 19.000 -0.018 0.000 0.814 174 A HN 0.649 nan 8.150 nan 0.000 0.444 175 E N -0.261 119.918 120.200 -0.034 0.000 2.051 175 E HA -0.109 4.239 4.350 -0.002 0.000 0.192 175 E C 2.339 178.945 176.600 0.010 0.000 0.991 175 E CA 0.977 57.365 56.400 -0.019 0.000 0.799 175 E CB -0.291 29.387 29.700 -0.037 0.000 0.748 175 E HN 0.621 nan 8.360 nan 0.000 0.449 176 A N 1.408 124.251 122.820 0.040 0.000 1.933 176 A HA -0.237 4.082 4.320 -0.002 0.000 0.218 176 A C 1.900 179.511 177.584 0.045 0.000 1.175 176 A CA 1.453 53.537 52.037 0.079 0.000 0.628 176 A CB -0.394 18.695 19.000 0.148 0.000 0.814 176 A HN 0.166 nan 8.150 nan 0.000 0.444 177 E N 0.240 120.459 120.200 0.032 0.000 2.150 177 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 177 E C 2.321 178.913 176.600 -0.013 0.000 0.985 177 E CA 1.199 57.608 56.400 0.015 0.000 0.814 177 E CB -0.162 29.546 29.700 0.015 0.000 0.752 177 E HN 0.822 nan 8.360 nan 0.000 0.466 178 S N 0.427 116.110 115.700 -0.029 0.000 2.382 178 S HA -0.122 4.346 4.470 -0.002 0.000 0.228 178 S C 2.197 176.728 174.600 -0.115 0.000 1.027 178 S CA 0.951 59.114 58.200 -0.062 0.000 0.991 178 S CB -0.482 62.681 63.200 -0.062 0.000 0.823 178 S HN 0.048 nan 8.310 nan 0.000 0.469 179 V N 2.797 122.639 119.914 -0.120 0.000 2.295 179 V HA -0.098 4.020 4.120 -0.002 0.000 0.246 179 V C 3.201 179.251 176.094 -0.074 0.000 1.049 179 V CA 1.636 63.830 62.300 -0.177 0.000 1.024 179 V CB -1.614 30.170 31.823 -0.065 0.000 0.648 179 V HN 0.667 nan 8.190 nan 0.000 0.447 180 A N 0.067 122.873 122.820 -0.024 0.000 1.948 180 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 180 A C 2.394 179.973 177.584 -0.007 0.000 1.177 180 A CA 2.296 54.326 52.037 -0.011 0.000 0.636 180 A CB -0.726 18.274 19.000 -0.000 0.000 0.815 180 A HN 0.596 nan 8.150 nan 0.000 0.449 181 A N -0.638 122.168 122.820 -0.022 0.000 1.898 181 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 181 A C 2.246 179.821 177.584 -0.015 0.000 1.181 181 A CA 1.482 53.509 52.037 -0.018 0.000 0.620 181 A CB -0.492 18.489 19.000 -0.032 0.000 0.819 181 A HN 0.532 nan 8.150 nan 0.000 0.442 182 R N -0.414 120.059 120.500 -0.044 0.000 2.091 182 R HA -0.096 4.243 4.340 -0.002 0.000 0.238 182 R C 2.058 178.408 176.300 0.084 0.000 1.136 182 R CA 1.513 57.601 56.100 -0.019 0.000 0.959 182 R CB -0.384 29.853 30.300 -0.105 0.000 0.856 182 R HN 0.519 nan 8.270 nan 0.000 0.437 183 L N 0.700 121.985 121.223 0.103 0.000 2.083 183 L HA -0.207 4.132 4.340 -0.002 0.000 0.209 183 L C 2.473 179.448 176.870 0.175 0.000 1.083 183 L CA 1.622 56.570 54.840 0.181 0.000 0.752 183 L CB -0.295 41.800 42.059 0.061 0.000 0.899 183 L HN 0.415 nan 8.230 nan 0.000 0.433 184 M N -0.651 119.014 119.600 0.108 0.000 2.175 184 M HA -0.224 4.255 4.480 -0.002 0.000 0.264 184 M C 2.083 178.432 176.300 0.082 0.000 1.063 184 M CA 1.643 57.009 55.300 0.111 0.000 1.119 184 M CB -0.007 32.634 32.600 0.069 0.000 1.377 184 M HN 0.167 nan 8.290 nan 0.000 0.415 185 I N -0.111 120.490 120.570 0.052 0.000 2.163 185 I HA -0.270 3.898 4.170 -0.002 0.000 0.240 185 I C 2.621 178.740 176.117 0.005 0.000 1.081 185 I CA 1.599 62.903 61.300 0.006 0.000 1.353 185 I CB -0.473 37.506 38.000 -0.034 0.000 1.054 185 I HN 0.437 nan 8.210 nan 0.000 0.407 186 S N 0.050 115.781 115.700 0.051 0.000 2.368 186 S HA -0.177 4.292 4.470 -0.002 0.000 0.224 186 S C 2.102 176.851 174.600 0.248 0.000 1.029 186 S CA 1.483 59.688 58.200 0.008 0.000 0.988 186 S CB -1.235 61.999 63.200 0.057 0.000 0.838 186 S HN 0.579 nan 8.310 nan 0.000 0.462 187 T N 1.118 115.901 114.554 0.382 0.000 2.904 187 T HA -0.079 4.270 4.350 -0.002 0.000 0.267 187 T C 2.137 176.921 174.700 0.140 0.000 1.059 187 T CA 1.456 63.754 62.100 0.330 0.000 1.137 187 T CB -0.986 68.036 68.868 0.258 0.000 0.879 187 T HN 0.634 nan 8.240 nan 0.000 0.467 188 S N 1.958 117.709 115.700 0.086 0.000 2.368 188 S HA -0.039 4.430 4.470 -0.002 0.000 0.225 188 S C 2.067 176.681 174.600 0.023 0.000 1.030 188 S CA 0.950 59.166 58.200 0.027 0.000 0.999 188 S CB -0.952 62.256 63.200 0.012 0.000 0.844 188 S HN 0.566 nan 8.310 nan 0.000 0.459 189 I N 2.516 123.094 120.570 0.014 0.000 2.179 189 I HA -0.132 4.036 4.170 -0.002 0.000 0.242 189 I C 3.128 179.274 176.117 0.048 0.000 1.088 189 I CA 1.219 62.518 61.300 -0.002 0.000 1.357 189 I CB -0.712 37.230 38.000 -0.097 0.000 1.051 189 I HN 0.433 nan 8.210 nan 0.000 0.409 190 A N 0.851 123.718 122.820 0.078 0.000 1.902 190 A HA -0.215 4.104 4.320 -0.002 0.000 0.217 190 A C 2.105 179.709 177.584 0.035 0.000 1.181 190 A CA 1.888 54.004 52.037 0.132 0.000 0.623 190 A CB -0.709 18.477 19.000 0.310 0.000 0.818 190 A HN 0.439 nan 8.150 nan 0.000 0.443 191 N N 0.279 118.970 118.700 -0.016 0.000 2.188 191 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 191 N C 1.899 177.393 175.510 -0.026 0.000 1.018 191 N CA 1.408 54.406 53.050 -0.087 0.000 0.858 191 N CB -0.423 38.007 38.487 -0.095 0.000 0.989 191 N HN 0.482 nan 8.380 nan 0.000 0.426 192 A N 0.082 122.920 122.820 0.030 0.000 1.969 192 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 192 A C 2.064 179.714 177.584 0.110 0.000 1.169 192 A CA 0.842 52.911 52.037 0.052 0.000 0.635 192 A CB -0.749 18.283 19.000 0.053 0.000 0.810 192 A HN 0.333 nan 8.150 nan 0.000 0.445 193 Y N 0.411 120.725 120.300 0.024 0.000 2.200 193 Y HA -0.028 4.521 4.550 -0.002 0.000 0.290 193 Y C 2.701 178.686 175.900 0.141 0.000 1.137 193 Y CA 0.891 59.041 58.100 0.083 0.000 1.163 193 Y CB -0.414 38.114 38.460 0.114 0.000 0.988 193 Y HN 0.323 nan 8.280 nan 0.000 0.518 194 A N -0.106 122.825 122.820 0.185 0.000 1.908 194 A HA -0.271 4.047 4.320 -0.002 0.000 0.218 194 A C 2.089 179.707 177.584 0.058 0.000 1.181 194 A CA 2.115 54.226 52.037 0.123 0.000 0.627 194 A CB -0.752 18.099 19.000 -0.249 0.000 0.818 194 A HN 0.502 nan 8.150 nan 0.000 0.445 195 E N -0.364 119.840 120.200 0.008 0.000 2.072 195 E HA -0.134 4.214 4.350 -0.002 0.000 0.191 195 E C 1.773 178.367 176.600 -0.010 0.000 0.985 195 E CA 1.128 57.525 56.400 -0.005 0.000 0.801 195 E CB -0.443 29.248 29.700 -0.014 0.000 0.750 195 E HN 0.388 nan 8.360 nan 0.000 0.452 196 L N 0.420 121.626 121.223 -0.027 0.000 2.012 196 L HA -0.123 4.216 4.340 -0.002 0.000 0.210 196 L C 2.228 179.106 176.870 0.012 0.000 1.073 196 L CA 2.404 57.227 54.840 -0.029 0.000 0.748 196 L CB -1.051 40.948 42.059 -0.099 0.000 0.891 196 L HN 0.208 nan 8.230 nan 0.000 0.431 197 A N -0.670 122.100 122.820 -0.083 0.000 1.902 197 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 197 A C 2.543 180.144 177.584 0.030 0.000 1.181 197 A CA 1.775 53.777 52.037 -0.059 0.000 0.623 197 A CB -0.668 18.284 19.000 -0.081 0.000 0.818 197 A HN 0.504 nan 8.150 nan 0.000 0.443 198 R N -0.429 120.091 120.500 0.033 0.000 2.081 198 R HA -0.086 4.253 4.340 -0.002 0.000 0.235 198 R C 2.007 178.317 176.300 0.017 0.000 1.131 198 R CA 1.570 57.688 56.100 0.030 0.000 0.960 198 R CB -0.395 29.918 30.300 0.021 0.000 0.856 198 R HN 0.542 nan 8.270 nan 0.000 0.436 199 L N -0.713 120.511 121.223 0.001 0.000 2.046 199 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 199 L C 2.221 179.052 176.870 -0.065 0.000 1.077 199 L CA 1.419 56.229 54.840 -0.051 0.000 0.747 199 L CB -0.531 41.469 42.059 -0.098 0.000 0.896 199 L HN 0.235 nan 8.230 nan 0.000 0.432 200 Y N -0.335 119.920 120.300 -0.075 0.000 2.224 200 Y HA -0.258 4.291 4.550 -0.002 0.000 0.289 200 Y C 2.589 178.455 175.900 -0.057 0.000 1.146 200 Y CA 1.220 59.273 58.100 -0.078 0.000 1.182 200 Y CB -0.350 38.038 38.460 -0.120 0.000 0.983 200 Y HN 0.155 nan 8.280 nan 0.000 0.524 201 A N 0.223 123.105 122.820 0.105 0.000 1.902 201 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 201 A C 2.092 179.698 177.584 0.038 0.000 1.181 201 A CA 1.852 53.923 52.037 0.057 0.000 0.623 201 A CB -0.719 18.304 19.000 0.038 0.000 0.818 201 A HN 0.491 nan 8.150 nan 0.000 0.443 202 N N -0.613 118.099 118.700 0.020 0.000 2.166 202 N HA -0.195 4.543 4.740 -0.002 0.000 0.186 202 N C 2.024 177.538 175.510 0.007 0.000 1.019 202 N CA 1.471 54.525 53.050 0.008 0.000 0.856 202 N CB -0.215 38.267 38.487 -0.008 0.000 0.993 202 N HN 0.768 nan 8.380 nan 0.000 0.426 203 Q N 1.325 121.119 119.800 -0.011 0.000 2.050 203 Q HA -0.185 4.154 4.340 -0.002 0.000 0.202 203 Q C 1.839 177.866 176.000 0.044 0.000 0.980 203 Q CA 1.474 57.270 55.803 -0.010 0.000 0.840 203 Q CB -0.012 28.674 28.738 -0.086 0.000 0.898 203 Q HN 0.346 nan 8.270 nan 0.000 0.424 204 E N -0.849 119.379 120.200 0.048 0.000 2.051 204 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 204 E C 1.832 178.482 176.600 0.083 0.000 0.991 204 E CA 1.739 58.172 56.400 0.055 0.000 0.799 204 E CB 0.061 29.790 29.700 0.048 0.000 0.748 204 E HN 0.380 nan 8.360 nan 0.000 0.449 205 T N 0.137 114.727 114.554 0.060 0.000 2.746 205 T HA -0.131 4.217 4.350 -0.002 0.000 0.267 205 T C 1.868 176.602 174.700 0.056 0.000 1.039 205 T CA 1.353 63.484 62.100 0.052 0.000 1.142 205 T CB -0.123 68.766 68.868 0.034 0.000 0.866 205 T HN 0.021 nan 8.240 nan 0.000 0.444 206 V N 0.991 120.938 119.914 0.055 0.000 2.488 206 V HA -0.130 3.989 4.120 -0.002 0.000 0.246 206 V C 2.387 178.518 176.094 0.061 0.000 1.046 206 V CA 1.383 63.708 62.300 0.041 0.000 1.053 206 V CB -0.659 31.177 31.823 0.023 0.000 0.679 206 V HN 0.606 nan 8.190 nan 0.000 0.458 207 H N 1.088 120.158 119.070 -0.001 0.000 2.353 207 H HA -0.148 4.407 4.556 -0.002 0.000 0.300 207 H C 2.225 177.558 175.328 0.007 0.000 1.090 207 H CA 2.072 58.121 56.048 0.002 0.000 1.327 207 H CB 0.022 29.787 29.762 0.006 0.000 1.383 207 H HN 0.370 nan 8.280 nan 0.000 0.508 208 A N 1.212 124.141 122.820 0.183 0.000 1.902 208 A HA -0.056 4.263 4.320 -0.002 0.000 0.217 208 A C 2.763 180.360 177.584 0.021 0.000 1.181 208 A CA 1.853 53.956 52.037 0.110 0.000 0.623 208 A CB -1.088 17.977 19.000 0.107 0.000 0.818 208 A HN 0.578 nan 8.150 nan 0.000 0.443 209 A N -0.481 122.348 122.820 0.015 0.000 1.902 209 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 209 A C 2.110 179.673 177.584 -0.035 0.000 1.181 209 A CA 1.755 53.790 52.037 -0.004 0.000 0.623 209 A CB -0.629 18.372 19.000 0.001 0.000 0.818 209 A HN 0.695 nan 8.150 nan 0.000 0.443 210 L N -0.486 120.695 121.223 -0.071 0.000 2.079 210 L HA -0.203 4.136 4.340 -0.002 0.000 0.210 210 L C 2.339 179.138 176.870 -0.119 0.000 1.081 210 L CA 2.205 56.982 54.840 -0.106 0.000 0.752 210 L CB -0.651 41.312 42.059 -0.159 0.000 0.896 210 L HN 0.349 nan 8.230 nan 0.000 0.433 211 Q N -0.744 118.968 119.800 -0.147 0.000 2.124 211 Q HA -0.107 4.231 4.340 -0.002 0.000 0.202 211 Q C 2.391 178.362 176.000 -0.048 0.000 0.977 211 Q CA 1.753 57.492 55.803 -0.106 0.000 0.850 211 Q CB -0.893 27.796 28.738 -0.081 0.000 0.901 211 Q HN 0.472 nan 8.270 nan 0.000 0.429 212 V N 1.391 121.287 119.914 -0.031 0.000 2.307 212 V HA -0.230 3.889 4.120 -0.002 0.000 0.245 212 V C 2.320 178.406 176.094 -0.013 0.000 1.045 212 V CA 1.540 63.834 62.300 -0.011 0.000 1.024 212 V CB -0.407 31.416 31.823 0.000 0.000 0.651 212 V HN 0.249 nan 8.190 nan 0.000 0.449 213 R N 0.740 121.228 120.500 -0.020 0.000 2.091 213 R HA -0.131 4.208 4.340 -0.002 0.000 0.238 213 R C 2.008 178.294 176.300 -0.024 0.000 1.136 213 R CA 1.411 57.502 56.100 -0.014 0.000 0.959 213 R CB -1.333 28.957 30.300 -0.018 0.000 0.856 213 R HN 0.529 nan 8.270 nan 0.000 0.437 214 N N 0.817 119.497 118.700 -0.035 0.000 2.188 214 N HA -0.101 4.637 4.740 -0.002 0.000 0.184 214 N C 1.560 177.055 175.510 -0.025 0.000 1.018 214 N CA 0.878 53.907 53.050 -0.035 0.000 0.858 214 N CB -0.084 38.377 38.487 -0.043 0.000 0.989 214 N HN 0.105 nan 8.380 nan 0.000 0.426 215 K N 0.407 120.796 120.400 -0.017 0.000 2.148 215 K HA 0.037 4.356 4.320 -0.002 0.000 0.204 215 K C 1.727 178.325 176.600 -0.003 0.000 1.050 215 K CA 0.857 57.141 56.287 -0.005 0.000 0.942 215 K CB -0.429 32.073 32.500 0.003 0.000 0.724 215 K HN 0.231 nan 8.250 nan 0.000 0.446 216 T N 1.106 115.654 114.554 -0.010 0.000 2.812 216 T HA -0.061 4.288 4.350 -0.002 0.000 0.264 216 T C 2.086 176.751 174.700 -0.059 0.000 1.042 216 T CA 0.839 62.926 62.100 -0.020 0.000 1.140 216 T CB -0.139 68.730 68.868 0.002 0.000 0.870 216 T HN -0.115 nan 8.240 nan 0.000 0.445 217 V N 2.526 122.402 119.914 -0.064 0.000 2.252 217 V HA -0.258 3.861 4.120 -0.002 0.000 0.249 217 V C 2.696 178.759 176.094 -0.052 0.000 1.056 217 V CA 2.370 64.619 62.300 -0.086 0.000 1.022 217 V CB -0.711 31.072 31.823 -0.067 0.000 0.641 217 V HN 0.722 nan 8.190 nan 0.000 0.445 218 E N -0.041 120.144 120.200 -0.024 0.000 2.208 218 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 218 E C 2.174 178.785 176.600 0.018 0.000 0.988 218 E CA 1.234 57.632 56.400 -0.002 0.000 0.828 218 E CB -0.309 29.391 29.700 -0.000 0.000 0.763 218 E HN 0.477 nan 8.360 nan 0.000 0.478 219 L N 0.708 121.947 121.223 0.026 0.000 2.027 219 L HA -0.091 4.248 4.340 -0.002 0.000 0.206 219 L C 2.153 179.077 176.870 0.089 0.000 1.074 219 L CA 1.385 56.265 54.840 0.066 0.000 0.745 219 L CB -0.409 41.709 42.059 0.098 0.000 0.898 219 L HN 0.170 nan 8.230 nan 0.000 0.433 220 L N -0.378 120.872 121.223 0.045 0.000 2.201 220 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 220 L C 2.487 179.395 176.870 0.064 0.000 1.105 220 L CA 1.476 56.342 54.840 0.042 0.000 0.775 220 L CB -0.770 41.200 42.059 -0.148 0.000 0.913 220 L HN 0.372 nan 8.230 nan 0.000 0.440 221 E N -0.485 119.740 120.200 0.041 0.000 2.072 221 E HA -0.257 4.092 4.350 -0.002 0.000 0.190 221 E C 2.102 178.774 176.600 0.120 0.000 0.982 221 E CA 1.109 57.563 56.400 0.090 0.000 0.803 221 E CB 0.015 29.742 29.700 0.044 0.000 0.755 221 E HN 0.476 nan 8.360 nan 0.000 0.453 222 K N 1.353 121.798 120.400 0.074 0.000 2.057 222 K HA -0.150 4.168 4.320 -0.002 0.000 0.207 222 K C 2.030 178.662 176.600 0.054 0.000 1.049 222 K CA 1.319 57.637 56.287 0.053 0.000 0.931 222 K CB -0.054 32.469 32.500 0.038 0.000 0.714 222 K HN -0.087 nan 8.250 nan 0.000 0.440 223 R N -0.681 119.868 120.500 0.081 0.000 2.073 223 R HA -0.155 4.183 4.340 -0.002 0.000 0.234 223 R C 2.450 178.803 176.300 0.088 0.000 1.134 223 R CA 1.736 57.880 56.100 0.073 0.000 0.952 223 R CB -0.703 29.657 30.300 0.100 0.000 0.850 223 R HN 0.342 nan 8.270 nan 0.000 0.433 224 Y N 1.415 121.719 120.300 0.006 0.000 2.165 224 Y HA -0.232 4.317 4.550 -0.002 0.000 0.286 224 Y C 2.180 178.077 175.900 -0.006 0.000 1.155 224 Y CA 1.218 59.316 58.100 -0.003 0.000 1.164 224 Y CB -0.461 37.991 38.460 -0.013 0.000 0.978 224 Y HN 0.064 nan 8.280 nan 0.000 0.513 225 A N 0.457 123.209 122.820 -0.114 0.000 1.978 225 A HA -0.205 4.114 4.320 -0.002 0.000 0.220 225 A C 1.724 179.209 177.584 -0.164 0.000 1.170 225 A CA 1.839 53.767 52.037 -0.182 0.000 0.636 225 A CB -0.612 18.361 19.000 -0.044 0.000 0.810 225 A HN 0.603 nan 8.150 nan 0.000 0.448 226 N N -0.737 117.903 118.700 -0.099 0.000 2.314 226 N HA 0.198 4.937 4.740 -0.002 0.000 0.200 226 N C 1.024 176.483 175.510 -0.084 0.000 1.135 226 N CA 0.883 53.887 53.050 -0.077 0.000 0.835 226 N CB 0.378 38.840 38.487 -0.042 0.000 0.989 226 N HN 0.613 nan 8.380 nan 0.000 0.478 227 G N 0.701 109.425 108.800 -0.127 0.000 2.155 227 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.257 227 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.257 227 G C 0.635 175.513 174.900 -0.037 0.000 0.983 227 G CA 0.227 45.269 45.100 -0.098 0.000 0.676 227 G HN 0.410 nan 8.290 nan 0.000 0.528 228 L N -0.934 120.279 121.223 -0.017 0.000 2.640 228 L HA 0.547 4.886 4.340 -0.002 0.000 0.230 228 L C 0.804 177.698 176.870 0.040 0.000 1.123 228 L CA 0.414 55.252 54.840 -0.004 0.000 0.900 228 L CB 0.487 42.528 42.059 -0.031 0.000 1.146 228 L HN 0.274 nan 8.230 nan 0.000 0.484 229 E N -0.687 119.579 120.200 0.109 0.000 2.433 229 E HA 0.296 4.645 4.350 -0.002 0.000 0.278 229 E C -0.668 176.090 176.600 0.263 0.000 0.976 229 E CA -0.528 55.977 56.400 0.174 0.000 0.793 229 E CB 1.655 31.477 29.700 0.202 0.000 1.311 229 E HN -0.095 nan 8.360 nan 0.000 0.460 230 T N 1.184 115.845 114.554 0.179 0.000 2.874 230 T HA 0.217 4.566 4.350 -0.002 0.000 0.281 230 T C 0.928 175.588 174.700 -0.066 0.000 0.994 230 T CA -0.377 61.813 62.100 0.151 0.000 1.015 230 T CB 0.507 69.422 68.868 0.078 0.000 1.028 230 T HN 0.443 nan 8.240 nan 0.000 0.523 231 L N 3.161 124.263 121.223 -0.201 0.000 2.156 231 L HA 0.290 4.628 4.340 -0.002 0.000 0.208 231 L C 2.436 179.134 176.870 -0.285 0.000 1.095 231 L CA 2.278 56.791 54.840 -0.546 0.000 0.770 231 L CB -1.286 40.560 42.059 -0.356 0.000 0.914 231 L HN 0.928 nan 8.230 nan 0.000 0.439 232 G N -1.266 107.452 108.800 -0.136 0.000 2.446 232 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.217 232 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.217 232 G C 1.584 176.428 174.900 -0.093 0.000 1.168 232 G CA 0.994 46.047 45.100 -0.079 0.000 0.771 232 G HN 0.473 nan 8.290 nan 0.000 0.551 233 S N -0.110 115.525 115.700 -0.109 0.000 2.368 233 S HA -0.104 4.365 4.470 -0.002 0.000 0.225 233 S C 2.516 176.863 174.600 -0.422 0.000 1.030 233 S CA 1.172 59.245 58.200 -0.211 0.000 0.999 233 S CB -0.290 62.815 63.200 -0.159 0.000 0.844 233 S HN 0.187 nan 8.310 nan 0.000 0.459 234 V N 1.640 121.345 119.914 -0.348 0.000 2.343 234 V HA -0.154 3.965 4.120 -0.002 0.000 0.247 234 V C 2.410 178.345 176.094 -0.264 0.000 1.051 234 V CA 1.907 64.002 62.300 -0.342 0.000 1.036 234 V CB -0.858 30.726 31.823 -0.398 0.000 0.654 234 V HN 0.423 nan 8.190 nan 0.000 0.451 235 S N -0.857 114.712 115.700 -0.218 0.000 2.383 235 S HA -0.239 4.230 4.470 -0.002 0.000 0.227 235 S C 1.986 176.528 174.600 -0.097 0.000 1.026 235 S CA 1.490 59.605 58.200 -0.141 0.000 0.981 235 S CB -0.283 62.848 63.200 -0.114 0.000 0.818 235 S HN 0.575 nan 8.310 nan 0.000 0.472 236 Q N 1.711 121.461 119.800 -0.083 0.000 2.084 236 Q HA 0.051 4.390 4.340 -0.002 0.000 0.202 236 Q C 2.079 178.087 176.000 0.015 0.000 0.978 236 Q CA 1.704 57.514 55.803 0.010 0.000 0.844 236 Q CB -0.611 28.207 28.738 0.134 0.000 0.898 236 Q HN 0.496 nan 8.270 nan 0.000 0.426 237 A N 0.232 122.979 122.820 -0.122 0.000 1.930 237 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 237 A C 1.918 179.462 177.584 -0.066 0.000 1.175 237 A CA 1.583 53.557 52.037 -0.105 0.000 0.627 237 A CB -0.364 18.416 19.000 -0.367 0.000 0.815 237 A HN 0.357 nan 8.150 nan 0.000 0.443 238 K N -0.249 120.095 120.400 -0.092 0.000 2.148 238 K HA 0.019 4.338 4.320 -0.002 0.000 0.204 238 K C 2.257 178.834 176.600 -0.039 0.000 1.050 238 K CA 0.954 57.202 56.287 -0.065 0.000 0.942 238 K CB -0.259 32.196 32.500 -0.075 0.000 0.724 238 K HN 0.435 nan 8.250 nan 0.000 0.446 239 A N 1.033 123.835 122.820 -0.030 0.000 1.898 239 A HA -0.106 4.213 4.320 -0.002 0.000 0.216 239 A C 2.361 179.942 177.584 -0.005 0.000 1.181 239 A CA 1.228 53.255 52.037 -0.016 0.000 0.620 239 A CB -0.652 18.342 19.000 -0.009 0.000 0.819 239 A HN 0.047 nan 8.150 nan 0.000 0.442 240 V N -0.012 119.908 119.914 0.010 0.000 2.287 240 V HA -0.297 3.822 4.120 -0.002 0.000 0.248 240 V C 3.068 179.162 176.094 -0.001 0.000 1.053 240 V CA 2.153 64.463 62.300 0.016 0.000 1.027 240 V CB -1.234 30.620 31.823 0.051 0.000 0.646 240 V HN 0.620 nan 8.190 nan 0.000 0.447 241 A N -0.334 122.481 122.820 -0.009 0.000 1.930 241 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 241 A C 2.398 179.968 177.584 -0.024 0.000 1.175 241 A CA 1.999 54.023 52.037 -0.021 0.000 0.627 241 A CB -0.719 18.263 19.000 -0.030 0.000 0.815 241 A HN 0.577 nan 8.150 nan 0.000 0.443 242 A N -0.926 121.880 122.820 -0.022 0.000 1.898 242 A HA -0.082 4.237 4.320 -0.002 0.000 0.216 242 A C 2.473 180.046 177.584 -0.018 0.000 1.181 242 A CA 2.063 54.087 52.037 -0.022 0.000 0.620 242 A CB -0.976 18.011 19.000 -0.021 0.000 0.819 242 A HN 0.521 nan 8.150 nan 0.000 0.442 243 S N -0.614 115.076 115.700 -0.015 0.000 2.370 243 S HA -0.135 4.334 4.470 -0.002 0.000 0.226 243 S C 1.907 176.499 174.600 -0.015 0.000 1.033 243 S CA 1.684 59.876 58.200 -0.014 0.000 1.011 243 S CB -0.456 62.738 63.200 -0.010 0.000 0.852 243 S HN 0.300 nan 8.310 nan 0.000 0.457 244 V N 1.391 121.295 119.914 -0.016 0.000 2.358 244 V HA -0.119 4.000 4.120 -0.002 0.000 0.246 244 V C 2.474 178.556 176.094 -0.021 0.000 1.047 244 V CA 2.158 64.447 62.300 -0.018 0.000 1.035 244 V CB -0.717 31.094 31.823 -0.020 0.000 0.658 244 V HN 0.564 nan 8.190 nan 0.000 0.452 245 E N 0.146 120.331 120.200 -0.026 0.000 2.106 245 E HA -0.198 4.151 4.350 -0.002 0.000 0.192 245 E C 2.262 178.851 176.600 -0.018 0.000 0.984 245 E CA 1.208 57.593 56.400 -0.025 0.000 0.806 245 E CB -0.230 29.453 29.700 -0.028 0.000 0.750 245 E HN 0.572 nan 8.360 nan 0.000 0.458 246 A N 0.885 123.695 122.820 -0.017 0.000 1.908 246 A HA -0.260 4.058 4.320 -0.002 0.000 0.218 246 A C 2.020 179.595 177.584 -0.016 0.000 1.181 246 A CA 1.872 53.900 52.037 -0.016 0.000 0.627 246 A CB -0.598 18.393 19.000 -0.015 0.000 0.818 246 A HN 0.323 nan 8.150 nan 0.000 0.445 247 E N -0.477 119.713 120.200 -0.015 0.000 2.058 247 E HA -0.193 4.156 4.350 -0.002 0.000 0.194 247 E C 1.800 178.391 176.600 -0.016 0.000 0.997 247 E CA 1.342 57.732 56.400 -0.016 0.000 0.801 247 E CB -0.332 29.360 29.700 -0.013 0.000 0.746 247 E HN 0.423 nan 8.360 nan 0.000 0.450 248 L N 0.254 121.470 121.223 -0.011 0.000 2.079 248 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 248 L C 2.022 178.883 176.870 -0.016 0.000 1.081 248 L CA 1.644 56.481 54.840 -0.006 0.000 0.752 248 L CB -0.380 41.685 42.059 0.010 0.000 0.896 248 L HN 0.278 nan 8.230 nan 0.000 0.433 249 L N -1.182 120.032 121.223 -0.016 0.000 2.093 249 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 249 L C 2.486 179.339 176.870 -0.029 0.000 1.085 249 L CA 1.064 55.892 54.840 -0.020 0.000 0.755 249 L CB -1.259 40.790 42.059 -0.016 0.000 0.904 249 L HN 0.445 nan 8.230 nan 0.000 0.435 250 G N 0.420 109.204 108.800 -0.028 0.000 2.418 250 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.217 250 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.217 250 G C 1.579 176.453 174.900 -0.043 0.000 1.158 250 G CA 0.612 45.693 45.100 -0.031 0.000 0.771 250 G HN 0.263 nan 8.290 nan 0.000 0.545 251 I N 0.332 120.873 120.570 -0.048 0.000 2.208 251 I HA -0.238 3.930 4.170 -0.002 0.000 0.245 251 I C 3.033 179.088 176.117 -0.102 0.000 1.097 251 I CA 1.258 62.517 61.300 -0.069 0.000 1.363 251 I CB -0.246 37.715 38.000 -0.064 0.000 1.051 251 I HN 0.231 nan 8.210 nan 0.000 0.413 252 Q N 0.184 119.929 119.800 -0.092 0.000 2.124 252 Q HA -0.263 4.075 4.340 -0.002 0.000 0.202 252 Q C 2.156 178.100 176.000 -0.095 0.000 0.977 252 Q CA 1.613 57.349 55.803 -0.111 0.000 0.850 252 Q CB -0.181 28.512 28.738 -0.075 0.000 0.901 252 Q HN 0.511 nan 8.270 nan 0.000 0.429 253 E N 0.428 120.589 120.200 -0.066 0.000 2.038 253 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 253 E C 1.970 178.534 176.600 -0.060 0.000 1.000 253 E CA 1.532 57.901 56.400 -0.052 0.000 0.803 253 E CB 0.067 29.744 29.700 -0.038 0.000 0.750 253 E HN 0.170 nan 8.360 nan 0.000 0.448 254 S N 0.617 116.278 115.700 -0.065 0.000 2.374 254 S HA -0.198 4.270 4.470 -0.002 0.000 0.227 254 S C 1.971 176.521 174.600 -0.083 0.000 1.037 254 S CA 1.352 59.514 58.200 -0.065 0.000 1.024 254 S CB -0.329 62.833 63.200 -0.063 0.000 0.861 254 S HN 0.305 nan 8.310 nan 0.000 0.456 255 I N 1.144 121.634 120.570 -0.133 0.000 2.163 255 I HA -0.255 3.914 4.170 -0.002 0.000 0.243 255 I C 2.809 178.864 176.117 -0.103 0.000 1.085 255 I CA 1.478 62.668 61.300 -0.183 0.000 1.347 255 I CB -0.330 37.441 38.000 -0.381 0.000 1.044 255 I HN 0.281 nan 8.210 nan 0.000 0.408 256 Q N 1.146 120.896 119.800 -0.083 0.000 2.079 256 Q HA -0.143 4.196 4.340 -0.002 0.000 0.200 256 Q C 2.106 178.091 176.000 -0.024 0.000 0.974 256 Q CA 1.648 57.426 55.803 -0.041 0.000 0.840 256 Q CB -0.325 28.393 28.738 -0.034 0.000 0.898 256 Q HN 0.481 nan 8.270 nan 0.000 0.430 257 L N -0.001 121.204 121.223 -0.029 0.000 2.079 257 L HA -0.214 4.124 4.340 -0.002 0.000 0.210 257 L C 2.507 179.369 176.870 -0.012 0.000 1.081 257 L CA 1.533 56.362 54.840 -0.019 0.000 0.752 257 L CB -0.436 41.609 42.059 -0.023 0.000 0.896 257 L HN 0.314 nan 8.230 nan 0.000 0.433 258 Q N 0.473 120.263 119.800 -0.017 0.000 2.119 258 Q HA -0.170 4.169 4.340 -0.002 0.000 0.201 258 Q C 2.082 178.094 176.000 0.020 0.000 0.972 258 Q CA 1.538 57.339 55.803 -0.003 0.000 0.847 258 Q CB 0.068 28.799 28.738 -0.012 0.000 0.903 258 Q HN 0.312 nan 8.270 nan 0.000 0.433 259 K N -0.244 120.170 120.400 0.022 0.000 2.057 259 K HA -0.096 4.223 4.320 -0.002 0.000 0.207 259 K C 1.761 178.382 176.600 0.034 0.000 1.049 259 K CA 1.232 57.545 56.287 0.043 0.000 0.931 259 K CB -0.085 32.442 32.500 0.046 0.000 0.714 259 K HN 0.213 nan 8.250 nan 0.000 0.440 260 N N 1.117 119.828 118.700 0.019 0.000 2.104 260 N HA -0.173 4.566 4.740 -0.002 0.000 0.190 260 N C 1.705 177.224 175.510 0.016 0.000 1.024 260 N CA 1.572 54.631 53.050 0.015 0.000 0.853 260 N CB -0.429 38.062 38.487 0.006 0.000 1.008 260 N HN 0.210 nan 8.380 nan 0.000 0.424 261 A N 0.941 123.770 122.820 0.015 0.000 1.898 261 A HA -0.006 4.313 4.320 -0.002 0.000 0.216 261 A C 2.391 179.988 177.584 0.021 0.000 1.181 261 A CA 0.799 52.843 52.037 0.013 0.000 0.620 261 A CB -0.732 18.273 19.000 0.008 0.000 0.819 261 A HN 0.204 nan 8.150 nan 0.000 0.442 262 L N -0.617 120.628 121.223 0.038 0.000 2.042 262 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 262 L C 3.123 180.014 176.870 0.036 0.000 1.076 262 L CA 1.162 56.033 54.840 0.052 0.000 0.749 262 L CB -0.545 41.572 42.059 0.096 0.000 0.893 262 L HN 0.445 nan 8.230 nan 0.000 0.432 263 A N -0.048 122.793 122.820 0.035 0.000 1.883 263 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 263 A C 2.514 180.108 177.584 0.017 0.000 1.186 263 A CA 2.004 54.057 52.037 0.028 0.000 0.624 263 A CB -0.849 18.167 19.000 0.027 0.000 0.822 263 A HN 0.427 nan 8.150 nan 0.000 0.444 264 A N -0.517 122.311 122.820 0.012 0.000 1.933 264 A HA -0.013 4.306 4.320 -0.002 0.000 0.218 264 A C 2.133 179.715 177.584 -0.003 0.000 1.175 264 A CA 1.451 53.491 52.037 0.004 0.000 0.628 264 A CB -0.589 18.412 19.000 0.002 0.000 0.814 264 A HN 0.477 nan 8.150 nan 0.000 0.444 265 L N -0.104 121.117 121.223 -0.003 0.000 2.191 265 L HA -0.116 4.223 4.340 -0.002 0.000 0.212 265 L C 2.089 178.943 176.870 -0.027 0.000 1.103 265 L CA 1.262 56.094 54.840 -0.014 0.000 0.769 265 L CB -0.221 41.833 42.059 -0.009 0.000 0.908 265 L HN 0.458 nan 8.230 nan 0.000 0.438 266 V N -3.530 116.372 119.914 -0.020 0.000 3.514 266 V HA 0.471 4.590 4.120 -0.002 0.000 0.301 266 V C 1.146 177.231 176.094 -0.014 0.000 1.346 266 V CA 0.277 62.559 62.300 -0.029 0.000 1.156 266 V CB -0.368 31.439 31.823 -0.027 0.000 1.029 266 V HN 0.442 nan 8.190 nan 0.000 0.428 267 G N 0.060 108.854 108.800 -0.011 0.000 2.149 267 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.235 267 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.235 267 G C -0.121 174.791 174.900 0.020 0.000 1.018 267 G CA 0.524 45.622 45.100 -0.004 0.000 0.728 267 G HN 0.711 nan 8.290 nan 0.000 0.508 268 Q N -0.828 118.984 119.800 0.020 0.000 2.416 268 Q HA 0.640 4.979 4.340 -0.002 0.000 0.279 268 Q C 0.884 176.897 176.000 0.021 0.000 1.101 268 Q CA -0.490 55.330 55.803 0.027 0.000 0.830 268 Q CB 1.745 30.502 28.738 0.033 0.000 1.402 268 Q HN 0.437 nan 8.270 nan 0.000 0.445 269 G N 0.741 109.554 108.800 0.022 0.000 2.653 269 G HA2 0.155 4.114 3.960 -0.002 0.000 0.265 269 G HA3 0.155 4.114 3.960 -0.002 0.000 0.265 269 G C -1.649 173.261 174.900 0.017 0.000 1.237 269 G CA -0.878 44.233 45.100 0.017 0.000 0.946 269 G HN 0.470 nan 8.290 nan 0.000 0.522 270 P HA 0.000 nan 4.420 nan 0.000 0.234 270 P C 0.409 177.719 177.300 0.016 0.000 1.167 270 P CA 0.746 63.855 63.100 0.015 0.000 0.763 270 P CB 0.338 32.044 31.700 0.011 0.000 0.835 271 D N 0.023 120.433 120.400 0.016 0.000 2.219 271 D HA -0.137 4.501 4.640 -0.002 0.000 0.205 271 D C 2.065 178.377 176.300 0.020 0.000 0.970 271 D CA 0.789 54.799 54.000 0.016 0.000 0.851 271 D CB -0.390 40.418 40.800 0.015 0.000 0.943 271 D HN -0.033 nan 8.370 nan 0.000 0.488 272 R N 0.899 121.414 120.500 0.024 0.000 2.152 272 R HA 0.013 4.352 4.340 -0.002 0.000 0.232 272 R C 1.735 178.055 176.300 0.033 0.000 1.117 272 R CA 1.396 57.513 56.100 0.029 0.000 0.981 272 R CB -0.612 29.709 30.300 0.034 0.000 0.870 272 R HN 0.097 nan 8.270 nan 0.000 0.451 273 A N -0.096 122.743 122.820 0.031 0.000 2.015 273 A HA 0.052 4.371 4.320 -0.002 0.000 0.219 273 A C 2.225 179.831 177.584 0.037 0.000 1.163 273 A CA 1.360 53.419 52.037 0.037 0.000 0.646 273 A CB -0.703 18.315 19.000 0.030 0.000 0.806 273 A HN 0.438 nan 8.150 nan 0.000 0.448 274 A N 0.131 122.968 122.820 0.029 0.000 2.066 274 A HA 0.034 4.352 4.320 -0.002 0.000 0.218 274 A C 2.140 179.741 177.584 0.028 0.000 1.157 274 A CA 1.747 53.800 52.037 0.026 0.000 0.670 274 A CB -0.514 18.497 19.000 0.019 0.000 0.804 274 A HN 0.962 nan 8.150 nan 0.000 0.453 275 S N -1.016 114.700 115.700 0.026 0.000 2.554 275 S HA 0.384 4.852 4.470 -0.002 0.000 0.226 275 S C 0.246 174.864 174.600 0.031 0.000 0.980 275 S CA -0.473 57.739 58.200 0.020 0.000 0.939 275 S CB -0.435 62.767 63.200 0.003 0.000 0.832 275 S HN 0.335 nan 8.310 nan 0.000 0.486 276 I N 2.403 123.004 120.570 0.052 0.000 2.416 276 I HA 0.336 4.505 4.170 -0.002 0.000 0.288 276 I C 0.404 176.565 176.117 0.074 0.000 1.051 276 I CA -0.150 61.195 61.300 0.075 0.000 1.375 276 I CB 0.879 38.940 38.000 0.101 0.000 1.407 276 I HN 0.261 nan 8.210 nan 0.000 0.516 277 E N 4.200 124.423 120.200 0.039 0.000 2.281 277 E HA 0.256 4.605 4.350 -0.002 0.000 0.257 277 E C -0.605 175.840 176.600 -0.258 0.000 0.971 277 E CA -0.980 55.400 56.400 -0.034 0.000 0.839 277 E CB 1.091 30.781 29.700 -0.017 0.000 1.238 277 E HN 0.486 nan 8.360 nan 0.000 0.412 278 E N 1.772 121.595 120.200 -0.629 0.000 2.652 278 E HA -0.028 4.321 4.350 -0.002 0.000 0.255 278 E C -2.199 173.868 176.600 -0.888 0.000 0.952 278 E CA -1.083 54.578 56.400 -1.231 0.000 0.947 278 E CB 0.317 29.347 29.700 -1.117 0.000 0.912 278 E HN 0.033 nan 8.360 nan 0.000 0.489 279 P HA 0.011 nan 4.420 nan 0.000 0.270 279 P C -1.080 175.784 177.300 -0.727 0.000 1.223 279 P CA 0.315 63.085 63.100 -0.549 0.000 0.785 279 P CB 0.504 31.832 31.700 -0.621 0.000 0.923 280 H N 1.961 121.019 119.070 -0.021 0.000 2.651 280 H HA 0.270 4.825 4.556 -0.002 0.000 0.252 280 H C -0.414 174.909 175.328 -0.008 0.000 1.365 280 H CA -0.336 55.691 56.048 -0.034 0.000 1.539 280 H CB 0.262 30.009 29.762 -0.025 0.000 1.621 280 H HN 0.231 nan 8.280 nan 0.000 0.526 281 I N 2.435 122.996 120.570 -0.014 0.000 2.365 281 I HA 0.098 4.266 4.170 -0.002 0.000 0.291 281 I C 0.797 176.882 176.117 -0.053 0.000 1.004 281 I CA 0.006 61.244 61.300 -0.104 0.000 1.311 281 I CB 1.464 39.160 38.000 -0.506 0.000 1.401 281 I HN 0.232 nan 8.210 nan 0.000 0.491 282 T N 7.455 122.029 114.554 0.034 0.000 2.756 282 T HA 0.385 4.734 4.350 -0.002 0.000 0.290 282 T C -0.224 174.546 174.700 0.117 0.000 0.985 282 T CA -0.408 61.726 62.100 0.057 0.000 0.955 282 T CB 0.932 69.837 68.868 0.061 0.000 0.930 282 T HN 0.152 nan 8.240 nan 0.000 0.451 283 L N 4.220 125.497 121.223 0.089 0.000 2.272 283 L HA 0.480 4.819 4.340 -0.002 0.000 0.289 283 L C 0.202 177.148 176.870 0.127 0.000 1.032 283 L CA 0.090 55.025 54.840 0.158 0.000 0.810 283 L CB 1.200 43.328 42.059 0.115 0.000 1.205 283 L HN 0.598 nan 8.230 nan 0.000 0.422 284 T N 2.443 117.079 114.554 0.136 0.000 2.797 284 T HA 0.403 4.751 4.350 -0.002 0.000 0.279 284 T C -0.030 174.746 174.700 0.127 0.000 0.991 284 T CA -0.593 61.568 62.100 0.103 0.000 0.979 284 T CB 1.222 70.126 68.868 0.059 0.000 0.943 284 T HN 0.697 nan 8.240 nan 0.000 0.444 285 S N 3.528 119.306 115.700 0.131 0.000 2.568 285 S HA 0.180 4.649 4.470 -0.002 0.000 0.282 285 S C 1.300 176.013 174.600 0.189 0.000 1.338 285 S CA -0.607 57.680 58.200 0.145 0.000 1.045 285 S CB 0.859 64.135 63.200 0.127 0.000 0.873 285 S HN 0.642 nan 8.310 nan 0.000 0.516 286 R N 1.229 121.838 120.500 0.181 0.000 2.062 286 R HA 0.147 4.486 4.340 -0.002 0.000 0.229 286 R C -0.121 176.377 176.300 0.331 0.000 1.128 286 R CA 0.972 57.186 56.100 0.190 0.000 0.960 286 R CB -0.611 29.776 30.300 0.145 0.000 0.855 286 R HN 0.833 nan 8.270 nan 0.000 0.432 296 G N 2.137 110.980 108.800 0.073 0.000 2.509 296 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.218 296 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.218 296 G C 1.185 176.175 174.900 0.150 0.000 1.124 296 G CA 1.187 46.340 45.100 0.089 0.000 0.776 296 G HN 0.717 nan 8.290 nan 0.000 0.547 297 L N -1.643 119.681 121.223 0.169 0.000 2.672 297 L HA 0.496 4.835 4.340 -0.002 0.000 0.236 297 L C 1.114 178.117 176.870 0.222 0.000 1.186 297 L CA 0.081 55.084 54.840 0.272 0.000 0.977 297 L CB -0.115 42.076 42.059 0.219 0.000 1.203 297 L HN 0.045 nan 8.230 nan 0.000 0.448 298 L N -0.005 121.322 121.223 0.174 0.000 2.728 298 L HA 0.337 4.676 4.340 -0.002 0.000 0.238 298 L C 2.139 179.096 176.870 0.145 0.000 1.143 298 L CA 0.249 55.158 54.840 0.116 0.000 0.937 298 L CB 0.349 42.442 42.059 0.057 0.000 1.225 298 L HN 0.331 nan 8.230 nan 0.000 0.507 299 G N -1.664 107.263 108.800 0.213 0.000 2.650 299 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.214 299 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.214 299 G C 1.169 176.133 174.900 0.106 0.000 1.136 299 G CA 0.093 45.276 45.100 0.138 0.000 0.789 299 G HN 0.365 nan 8.290 nan 0.000 0.536 300 H N 0.406 119.632 119.070 0.261 0.000 2.524 300 H HA 0.195 4.750 4.556 -0.002 0.000 0.280 300 H C 0.433 175.823 175.328 0.103 0.000 1.018 300 H CA -0.030 56.155 56.048 0.227 0.000 1.165 300 H CB 0.460 30.427 29.762 0.342 0.000 1.411 300 H HN 0.077 nan 8.280 nan 0.000 0.569 301 R N 1.020 121.605 120.500 0.141 0.000 2.272 301 R HA 0.184 4.523 4.340 -0.002 0.000 0.334 301 R C 0.998 177.344 176.300 0.076 0.000 1.117 301 R CA -0.024 56.113 56.100 0.061 0.000 0.966 301 R CB 0.768 31.079 30.300 0.020 0.000 1.049 301 R HN 0.213 nan 8.270 nan 0.000 0.477 302 A N 3.445 126.312 122.820 0.077 0.000 1.972 302 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 302 A C 1.608 179.241 177.584 0.083 0.000 1.169 302 A CA 1.673 53.766 52.037 0.092 0.000 0.635 302 A CB -0.138 18.910 19.000 0.079 0.000 0.810 302 A HN 0.720 nan 8.150 nan 0.000 0.446 303 D N 0.589 121.017 120.400 0.046 0.000 2.117 303 D HA -0.173 4.465 4.640 -0.002 0.000 0.197 303 D C 1.733 178.072 176.300 0.064 0.000 0.987 303 D CA 1.400 55.427 54.000 0.045 0.000 0.829 303 D CB -0.720 40.088 40.800 0.013 0.000 0.961 303 D HN 0.515 nan 8.370 nan 0.000 0.460 304 I N 0.701 121.301 120.570 0.050 0.000 2.252 304 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 304 I C 2.389 178.610 176.117 0.173 0.000 1.102 304 I CA 1.432 62.771 61.300 0.065 0.000 1.385 304 I CB -0.507 37.503 38.000 0.016 0.000 1.064 304 I HN 0.018 nan 8.210 nan 0.000 0.414 305 T N 0.884 115.530 114.554 0.153 0.000 2.684 305 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 305 T C 2.068 176.928 174.700 0.267 0.000 1.036 305 T CA 1.590 63.800 62.100 0.183 0.000 1.148 305 T CB -0.355 68.640 68.868 0.212 0.000 0.863 305 T HN 0.484 nan 8.240 nan 0.000 0.436 306 A N 1.410 124.378 122.820 0.246 0.000 1.902 306 A HA 0.128 4.447 4.320 -0.002 0.000 0.217 306 A C 2.639 180.365 177.584 0.237 0.000 1.181 306 A CA 1.911 54.101 52.037 0.255 0.000 0.623 306 A CB -1.110 17.984 19.000 0.158 0.000 0.818 306 A HN 0.517 nan 8.150 nan 0.000 0.443 307 A N -0.381 122.561 122.820 0.203 0.000 1.930 307 A HA -0.113 4.205 4.320 -0.002 0.000 0.217 307 A C 2.165 179.880 177.584 0.218 0.000 1.175 307 A CA 1.770 53.936 52.037 0.215 0.000 0.627 307 A CB -0.472 18.660 19.000 0.220 0.000 0.815 307 A HN 0.573 nan 8.150 nan 0.000 0.443 308 R N -1.169 119.448 120.500 0.195 0.000 2.097 308 R HA -0.224 4.114 4.340 -0.002 0.000 0.236 308 R C 1.917 178.130 176.300 -0.146 0.000 1.135 308 R CA 2.384 58.388 56.100 -0.161 0.000 0.934 308 R CB -0.539 29.598 30.300 -0.273 0.000 0.846 308 R HN 0.676 nan 8.270 nan 0.000 0.431 309 W N 0.273 121.590 121.300 0.029 0.000 2.374 309 W HA -0.041 4.618 4.660 -0.001 0.000 0.288 309 W C 2.438 178.980 176.519 0.039 0.000 1.218 309 W CA 0.705 58.068 57.345 0.030 0.000 1.245 309 W CB 0.047 29.531 29.460 0.040 0.000 1.126 309 W HN 0.128 nan 8.180 nan 0.000 0.545 310 R N -0.230 120.430 120.500 0.267 0.000 2.115 310 R HA -0.049 4.290 4.340 -0.002 0.000 0.226 310 R C 2.276 178.664 176.300 0.147 0.000 1.100 310 R CA 1.210 57.420 56.100 0.183 0.000 0.980 310 R CB -0.728 29.654 30.300 0.138 0.000 0.875 310 R HN 0.150 nan 8.270 nan 0.000 0.445 311 A N 1.165 124.046 122.820 0.101 0.000 1.898 311 A HA -0.199 4.120 4.320 -0.002 0.000 0.216 311 A C 2.004 179.696 177.584 0.179 0.000 1.181 311 A CA 1.456 53.543 52.037 0.084 0.000 0.620 311 A CB -0.292 18.674 19.000 -0.057 0.000 0.819 311 A HN 0.183 nan 8.150 nan 0.000 0.442 312 E N 0.509 120.778 120.200 0.114 0.000 2.058 312 E HA -0.133 4.216 4.350 -0.002 0.000 0.194 312 E C 2.038 178.742 176.600 0.173 0.000 0.997 312 E CA 1.764 58.245 56.400 0.135 0.000 0.801 312 E CB -0.536 29.248 29.700 0.139 0.000 0.746 312 E HN 0.472 nan 8.360 nan 0.000 0.450 313 A N 0.729 123.670 122.820 0.202 0.000 1.877 313 A HA -0.084 4.235 4.320 -0.002 0.000 0.216 313 A C 2.466 180.139 177.584 0.148 0.000 1.186 313 A CA 2.364 54.504 52.037 0.172 0.000 0.620 313 A CB -1.116 17.985 19.000 0.169 0.000 0.822 313 A HN 0.389 nan 8.150 nan 0.000 0.443 314 A N -0.152 122.774 122.820 0.177 0.000 1.902 314 A HA 0.128 4.447 4.320 -0.002 0.000 0.217 314 A C 2.516 180.203 177.584 0.172 0.000 1.181 314 A CA 2.207 54.366 52.037 0.204 0.000 0.623 314 A CB -1.058 18.100 19.000 0.264 0.000 0.818 314 A HN 1.107 nan 8.150 nan 0.000 0.443 315 A N -1.133 121.768 122.820 0.134 0.000 1.908 315 A HA -0.213 4.105 4.320 -0.002 0.000 0.218 315 A C 2.120 179.648 177.584 -0.093 0.000 1.181 315 A CA 1.771 53.691 52.037 -0.196 0.000 0.627 315 A CB -0.502 18.380 19.000 -0.198 0.000 0.818 315 A HN 0.494 nan 8.150 nan 0.000 0.445 316 Q N -0.288 119.517 119.800 0.007 0.000 2.124 316 Q HA -0.212 4.127 4.340 -0.002 0.000 0.202 316 Q C 2.128 178.150 176.000 0.036 0.000 0.977 316 Q CA 1.849 57.668 55.803 0.027 0.000 0.850 316 Q CB -0.492 28.284 28.738 0.064 0.000 0.901 316 Q HN 0.847 nan 8.270 nan 0.000 0.429 317 Q N -0.238 119.595 119.800 0.055 0.000 2.226 317 Q HA -0.081 4.257 4.340 -0.002 0.000 0.204 317 Q C 2.184 178.214 176.000 0.051 0.000 0.975 317 Q CA 1.063 56.905 55.803 0.064 0.000 0.866 317 Q CB 0.030 28.817 28.738 0.082 0.000 0.915 317 Q HN 0.146 nan 8.270 nan 0.000 0.440 318 V N 0.348 120.274 119.914 0.020 0.000 2.358 318 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 318 V C 2.227 178.333 176.094 0.020 0.000 1.047 318 V CA 1.983 64.287 62.300 0.006 0.000 1.035 318 V CB -1.131 30.645 31.823 -0.077 0.000 0.658 318 V HN 0.529 nan 8.190 nan 0.000 0.452 319 G N -0.060 108.741 108.800 0.002 0.000 2.440 319 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.218 319 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.218 319 G C 1.589 176.526 174.900 0.062 0.000 1.154 319 G CA 1.097 46.212 45.100 0.024 0.000 0.767 319 G HN 0.480 nan 8.290 nan 0.000 0.552 320 I N 1.406 122.015 120.570 0.064 0.000 2.163 320 I HA -0.241 3.928 4.170 -0.002 0.000 0.243 320 I C 3.300 179.475 176.117 0.096 0.000 1.085 320 I CA 1.168 62.515 61.300 0.078 0.000 1.347 320 I CB -0.225 37.814 38.000 0.066 0.000 1.044 320 I HN 0.256 nan 8.210 nan 0.000 0.408 321 A N -0.036 122.842 122.820 0.096 0.000 1.933 321 A HA -0.253 4.066 4.320 -0.002 0.000 0.218 321 A C 2.242 179.966 177.584 0.233 0.000 1.175 321 A CA 1.533 53.642 52.037 0.119 0.000 0.628 321 A CB -0.597 18.472 19.000 0.114 0.000 0.814 321 A HN 0.480 nan 8.150 nan 0.000 0.444 322 Q N -0.695 119.241 119.800 0.226 0.000 2.084 322 Q HA -0.105 4.234 4.340 -0.002 0.000 0.202 322 Q C 2.315 178.547 176.000 0.385 0.000 0.978 322 Q CA 1.463 57.448 55.803 0.303 0.000 0.844 322 Q CB -0.372 28.452 28.738 0.144 0.000 0.898 322 Q HN 0.683 nan 8.270 nan 0.000 0.426 323 A N 0.558 123.514 122.820 0.227 0.000 2.119 323 A HA -0.146 4.172 4.320 -0.002 0.000 0.217 323 A C 1.865 179.595 177.584 0.244 0.000 1.153 323 A CA 0.762 52.919 52.037 0.199 0.000 0.692 323 A CB -0.122 18.971 19.000 0.155 0.000 0.799 323 A HN 0.229 nan 8.150 nan 0.000 0.458 324 Q N -1.053 118.853 119.800 0.176 0.000 2.364 324 Q HA -0.090 4.249 4.340 -0.002 0.000 0.207 324 Q C 1.193 177.160 176.000 -0.055 0.000 0.970 324 Q CA 0.959 56.784 55.803 0.036 0.000 0.888 324 Q CB -0.425 28.261 28.738 -0.087 0.000 0.951 324 Q HN 0.805 nan 8.270 nan 0.000 0.469 325 F N -0.870 119.097 119.950 0.030 0.000 2.502 325 F HA -0.064 4.462 4.527 -0.002 0.000 0.298 325 F C 0.604 176.214 175.800 -0.317 0.000 1.111 325 F CA 0.277 58.197 58.000 -0.134 0.000 1.445 325 F CB 0.020 38.898 39.000 -0.202 0.000 1.081 325 F HN -0.024 nan 8.300 nan 0.000 0.558 326 Y N 0.080 120.283 120.300 -0.161 0.000 2.374 326 Y HA 0.347 4.896 4.550 -0.002 0.000 0.322 326 Y C -1.960 173.815 175.900 -0.209 0.000 1.275 326 Y CA -3.417 54.402 58.100 -0.468 0.000 1.307 326 Y CB -0.286 37.394 38.460 -1.300 0.000 1.282 326 Y HN -0.317 nan 8.280 nan 0.000 0.509 327 P HA -0.045 nan 4.420 nan 0.000 0.268 327 P C -0.757 176.818 177.300 0.458 0.000 1.204 327 P CA 0.148 63.391 63.100 0.239 0.000 0.768 327 P CB 0.520 32.383 31.700 0.271 0.000 0.842 328 D N 2.590 123.201 120.400 0.352 0.000 2.274 328 D HA 0.236 4.875 4.640 -0.002 0.000 0.239 328 D C -0.877 175.634 176.300 0.351 0.000 1.104 328 D CA -0.181 54.039 54.000 0.368 0.000 0.840 328 D CB 0.935 41.906 40.800 0.284 0.000 1.100 328 D HN -0.048 nan 8.370 nan 0.000 0.477 329 V N 3.683 123.839 119.914 0.402 0.000 2.417 329 V HA 0.465 4.584 4.120 -0.002 0.000 0.291 329 V C 0.553 176.919 176.094 0.453 0.000 1.024 329 V CA -0.586 61.975 62.300 0.435 0.000 0.861 329 V CB 1.617 33.765 31.823 0.542 0.000 0.985 329 V HN 0.696 nan 8.190 nan 0.000 0.436 330 T N 2.652 117.433 114.554 0.379 0.000 2.916 330 T HA 0.857 5.206 4.350 -0.002 0.000 0.292 330 T C -1.064 173.806 174.700 0.283 0.000 1.064 330 T CA -0.836 61.384 62.100 0.199 0.000 1.011 330 T CB 2.157 71.081 68.868 0.093 0.000 1.152 330 T HN 0.431 nan 8.240 nan 0.000 0.510 331 L N 0.780 122.067 121.223 0.106 0.000 2.410 331 L HA 0.801 5.140 4.340 -0.002 0.000 0.270 331 L C -0.909 176.093 176.870 0.220 0.000 0.983 331 L CA -0.081 54.895 54.840 0.226 0.000 0.822 331 L CB 2.258 44.430 42.059 0.189 0.000 1.285 331 L HN 0.927 nan 8.230 nan 0.000 0.409 332 S N 2.620 118.473 115.700 0.255 0.000 2.570 332 S HA 1.021 5.490 4.470 -0.002 0.000 0.286 332 S C -1.133 173.647 174.600 0.300 0.000 1.099 332 S CA -0.217 58.145 58.200 0.271 0.000 0.913 332 S CB 1.931 65.240 63.200 0.181 0.000 1.085 332 S HN 0.994 nan 8.310 nan 0.000 0.480 333 A N 1.542 124.571 122.820 0.348 0.000 2.612 333 A HA 0.891 5.209 4.320 -0.002 0.000 0.293 333 A C -1.673 176.096 177.584 0.307 0.000 1.075 333 A CA -0.816 51.353 52.037 0.220 0.000 0.680 333 A CB 1.009 20.015 19.000 0.011 0.000 1.279 333 A HN 1.233 nan 8.150 nan 0.000 0.411 334 F N -0.307 119.667 119.950 0.039 0.000 2.686 334 F HA 0.918 5.443 4.527 -0.003 0.000 0.311 334 F C -1.647 174.144 175.800 -0.014 0.000 1.128 334 F CA -1.173 56.843 58.000 0.026 0.000 0.946 334 F CB 1.234 40.256 39.000 0.037 0.000 1.336 334 F HN 0.702 nan 8.300 nan 0.000 0.457 335 I N 1.245 121.813 120.570 -0.003 0.000 2.827 335 I HA 0.926 5.095 4.170 -0.002 0.000 0.298 335 I C -0.377 175.766 176.117 0.043 0.000 1.235 335 I CA -0.055 61.149 61.300 -0.161 0.000 1.021 335 I CB 1.852 39.755 38.000 -0.162 0.000 1.259 335 I HN 1.279 nan 8.210 nan 0.000 0.427 336 G N 4.276 113.037 108.800 -0.065 0.000 2.404 336 G HA2 0.268 4.227 3.960 -0.002 0.000 0.253 336 G HA3 0.268 4.227 3.960 -0.002 0.000 0.253 336 G C -2.108 172.622 174.900 -0.284 0.000 1.253 336 G CA -0.585 44.448 45.100 -0.112 0.000 0.917 336 G HN 0.450 nan 8.290 nan 0.000 0.480 337 Y N 0.482 120.884 120.300 0.170 0.000 2.462 337 Y HA 0.743 5.292 4.550 -0.001 0.000 0.346 337 Y C 0.125 176.077 175.900 0.087 0.000 0.976 337 Y CA -0.655 57.516 58.100 0.118 0.000 1.044 337 Y CB 2.559 41.057 38.460 0.063 0.000 1.230 337 Y HN 0.463 nan 8.280 nan 0.000 0.455 338 Q N 1.816 121.760 119.800 0.239 0.000 2.289 338 Q HA 0.872 5.211 4.340 -0.002 0.000 0.270 338 Q C -1.538 174.560 176.000 0.165 0.000 1.038 338 Q CA -1.100 54.807 55.803 0.174 0.000 0.812 338 Q CB 2.993 31.831 28.738 0.166 0.000 1.300 338 Q HN 0.767 nan 8.270 nan 0.000 0.427 339 A N 1.732 124.644 122.820 0.154 0.000 2.547 339 A HA 0.609 4.927 4.320 -0.002 0.000 0.297 339 A C -1.867 175.826 177.584 0.180 0.000 1.056 339 A CA -0.647 51.486 52.037 0.161 0.000 0.688 339 A CB 0.912 19.974 19.000 0.103 0.000 1.282 339 A HN 0.731 nan 8.150 nan 0.000 0.400 340 F N 2.626 122.578 119.950 0.003 0.000 2.466 340 F HA 0.483 5.009 4.527 -0.002 0.000 0.363 340 F C 0.907 176.616 175.800 -0.152 0.000 1.109 340 F CA 1.378 59.230 58.000 -0.246 0.000 1.161 340 F CB 0.305 39.195 39.000 -0.184 0.000 1.117 340 F HN 1.533 nan 8.300 nan 0.000 0.539 341 G N 6.505 115.054 108.800 -0.419 0.000 3.383 341 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.685 341 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.685 341 G C 0.216 175.073 174.900 -0.071 0.000 1.104 341 G CA -0.377 44.621 45.100 -0.169 0.000 0.957 341 G HN 0.810 nan 8.290 nan 0.000 0.461 342 L N 1.138 122.284 121.223 -0.129 0.000 2.127 342 L HA -0.085 4.254 4.340 -0.002 0.000 0.211 342 L C 2.668 179.447 176.870 -0.152 0.000 1.089 342 L CA 1.893 56.658 54.840 -0.125 0.000 0.757 342 L CB -0.227 41.769 42.059 -0.105 0.000 0.899 342 L HN 0.799 nan 8.230 nan 0.000 0.434 343 D N -2.036 118.264 120.400 -0.166 0.000 2.371 343 D HA -0.186 4.453 4.640 -0.002 0.000 0.221 343 D C 1.404 177.490 176.300 -0.356 0.000 0.986 343 D CA 0.948 54.800 54.000 -0.247 0.000 0.899 343 D CB -0.361 40.267 40.800 -0.287 0.000 0.902 343 D HN 0.440 nan 8.370 nan 0.000 0.530 344 H N -0.361 118.670 119.070 -0.066 0.000 2.542 344 H HA 0.167 4.722 4.556 -0.001 0.000 0.283 344 H C 1.643 176.919 175.328 -0.087 0.000 1.059 344 H CA -0.361 55.668 56.048 -0.033 0.000 1.162 344 H CB 0.764 30.535 29.762 0.014 0.000 1.539 344 H HN 0.075 nan 8.280 nan 0.000 0.543 345 L N 0.215 121.326 121.223 -0.186 0.000 2.079 345 L HA -0.136 4.202 4.340 -0.002 0.000 0.210 345 L C 1.170 177.768 176.870 -0.454 0.000 1.081 345 L CA 1.847 56.431 54.840 -0.426 0.000 0.752 345 L CB -0.587 40.953 42.059 -0.865 0.000 0.896 345 L HN 0.074 nan 8.230 nan 0.000 0.433 346 F N -1.314 118.584 119.950 -0.085 0.000 2.664 346 F HA 0.186 4.713 4.527 0.000 0.000 0.303 346 F C 0.616 176.457 175.800 0.069 0.000 1.092 346 F CA -1.112 56.810 58.000 -0.129 0.000 1.305 346 F CB -0.244 38.602 39.000 -0.257 0.000 1.054 346 F HN -0.065 nan 8.300 nan 0.000 0.565 347 D N 0.944 121.483 120.400 0.231 0.000 2.472 347 D HA -0.079 4.559 4.640 -0.002 0.000 0.237 347 D C 0.426 176.845 176.300 0.198 0.000 1.141 347 D CA 0.270 54.394 54.000 0.207 0.000 0.875 347 D CB 0.755 41.677 40.800 0.203 0.000 1.192 347 D HN -0.094 nan 8.370 nan 0.000 0.450 348 S N 1.021 116.815 115.700 0.155 0.000 2.593 348 S HA 0.246 4.715 4.470 -0.002 0.000 0.300 348 S C 1.432 176.095 174.600 0.104 0.000 1.267 348 S CA 0.830 59.104 58.200 0.123 0.000 1.065 348 S CB -0.121 63.132 63.200 0.087 0.000 0.807 348 S HN 0.723 nan 8.310 nan 0.000 0.499 349 G N 4.792 113.648 108.800 0.094 0.000 2.217 349 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.246 349 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.246 349 G C 0.511 175.462 174.900 0.086 0.000 0.990 349 G CA 0.312 45.455 45.100 0.071 0.000 0.627 349 G HN 0.683 nan 8.290 nan 0.000 0.522 350 N N 2.108 120.888 118.700 0.133 0.000 2.314 350 N HA 0.184 4.923 4.740 -0.002 0.000 0.200 350 N C 0.301 175.920 175.510 0.182 0.000 1.135 350 N CA 0.723 53.869 53.050 0.160 0.000 0.835 350 N CB 0.109 38.706 38.487 0.183 0.000 0.989 350 N HN 0.778 nan 8.380 nan 0.000 0.478 351 D N 0.536 121.004 120.400 0.113 0.000 2.362 351 D HA 0.412 5.051 4.640 -0.002 0.000 0.242 351 D C -0.094 176.205 176.300 -0.001 0.000 1.132 351 D CA -0.439 53.551 54.000 -0.017 0.000 0.907 351 D CB 1.387 42.120 40.800 -0.112 0.000 1.195 351 D HN 0.030 nan 8.370 nan 0.000 0.429 352 A N 0.088 122.892 122.820 -0.027 0.000 2.549 352 A HA 0.827 5.146 4.320 -0.002 0.000 0.297 352 A C -0.377 177.058 177.584 -0.249 0.000 1.061 352 A CA -0.215 51.822 52.037 0.000 0.000 0.690 352 A CB 2.084 21.217 19.000 0.221 0.000 1.287 352 A HN 0.933 nan 8.150 nan 0.000 0.402 353 G N -1.028 107.460 108.800 -0.520 0.000 2.601 353 G HA2 0.897 4.856 3.960 -0.002 0.000 0.291 353 G HA3 0.897 4.856 3.960 -0.002 0.000 0.291 353 G C -1.016 173.388 174.900 -0.826 0.000 1.456 353 G CA 0.353 44.822 45.100 -1.052 0.000 0.804 353 G HN 2.199 nan 8.290 nan 0.000 0.499 354 A N -0.332 121.980 122.820 -0.847 0.000 2.604 354 A HA 0.855 5.174 4.320 -0.002 0.000 0.295 354 A C -1.682 175.817 177.584 -0.143 0.000 1.067 354 A CA -0.433 51.426 52.037 -0.296 0.000 0.683 354 A CB 1.570 20.553 19.000 -0.028 0.000 1.281 354 A HN 1.860 nan 8.150 nan 0.000 0.407 355 I N 0.248 120.790 120.570 -0.046 0.000 2.722 355 I HA 0.794 4.963 4.170 -0.002 0.000 0.295 355 I C -0.210 175.944 176.117 0.061 0.000 1.161 355 I CA 0.218 61.523 61.300 0.008 0.000 1.032 355 I CB 2.363 40.337 38.000 -0.043 0.000 1.244 355 I HN 1.529 nan 8.210 nan 0.000 0.421 356 G N 5.900 114.770 108.800 0.116 0.000 2.377 356 G HA2 0.378 4.337 3.960 -0.002 0.000 0.297 356 G HA3 0.378 4.337 3.960 -0.002 0.000 0.297 356 G C -3.437 171.584 174.900 0.200 0.000 1.547 356 G CA -0.696 44.489 45.100 0.140 0.000 0.833 356 G HN 0.380 nan 8.290 nan 0.000 0.583 357 P HA 0.589 nan 4.420 nan 0.000 0.277 357 P C -0.407 177.021 177.300 0.214 0.000 1.240 357 P CA -0.134 63.142 63.100 0.292 0.000 0.798 357 P CB 1.965 33.836 31.700 0.286 0.000 0.979 358 A N 2.833 125.790 122.820 0.229 0.000 2.413 358 A HA 0.787 5.106 4.320 -0.002 0.000 0.307 358 A C -1.055 176.657 177.584 0.213 0.000 1.087 358 A CA -0.893 51.257 52.037 0.187 0.000 0.750 358 A CB 1.229 20.327 19.000 0.164 0.000 1.296 358 A HN 0.625 nan 8.150 nan 0.000 0.423 359 I N 0.361 121.046 120.570 0.192 0.000 2.647 359 I HA 0.681 4.850 4.170 -0.002 0.000 0.295 359 I C -2.050 174.205 176.117 0.229 0.000 1.078 359 I CA -0.822 60.603 61.300 0.208 0.000 1.048 359 I CB 1.886 39.979 38.000 0.155 0.000 1.239 359 I HN 0.729 nan 8.210 nan 0.000 0.421 360 Y N 7.563 127.932 120.300 0.115 0.000 2.391 360 Y HA 0.692 5.241 4.550 -0.002 0.000 0.341 360 Y C -1.891 174.057 175.900 0.081 0.000 0.965 360 Y CA -0.930 57.219 58.100 0.082 0.000 1.067 360 Y CB 1.823 40.323 38.460 0.067 0.000 1.199 360 Y HN 0.545 nan 8.280 nan 0.000 0.450 361 L N 9.187 130.022 121.223 -0.646 0.000 2.406 361 L HA 0.694 5.032 4.340 -0.002 0.000 0.270 361 L C -2.863 173.623 176.870 -0.640 0.000 0.982 361 L CA -2.318 52.274 54.840 -0.414 0.000 0.843 361 L CB 1.350 43.273 42.059 -0.227 0.000 1.225 361 L HN 0.441 nan 8.230 nan 0.000 0.412 362 P HA 0.247 nan 4.420 nan 0.000 0.271 362 P C 0.200 177.418 177.300 -0.136 0.000 1.216 362 P CA -0.012 62.966 63.100 -0.204 0.000 0.771 362 P CB 0.921 32.585 31.700 -0.060 0.000 0.864 363 L N 1.189 122.379 121.223 -0.055 0.000 2.577 363 L HA 0.381 4.720 4.340 -0.002 0.000 0.225 363 L C 0.285 177.244 176.870 0.148 0.000 1.053 363 L CA 0.265 55.115 54.840 0.016 0.000 0.866 363 L CB 0.261 42.324 42.059 0.007 0.000 1.132 363 L HN 0.299 nan 8.230 nan 0.000 0.486 364 F N 0.055 119.996 119.950 -0.016 0.000 2.651 364 F HA 0.228 4.754 4.527 -0.002 0.000 0.329 364 F C 0.320 176.124 175.800 0.007 0.000 1.186 364 F CA -0.418 57.584 58.000 0.003 0.000 1.046 364 F CB 1.545 40.546 39.000 0.003 0.000 1.296 364 F HN -0.117 nan 8.300 nan 0.000 0.497 365 T N 0.716 114.891 114.554 -0.631 0.000 3.043 365 T HA 0.371 4.720 4.350 -0.002 0.000 0.272 365 T C 1.198 175.565 174.700 -0.555 0.000 0.990 365 T CA 0.313 62.162 62.100 -0.418 0.000 0.897 365 T CB 0.349 69.066 68.868 -0.252 0.000 1.111 365 T HN 1.784 nan 8.240 nan 0.000 0.529 366 G N 0.691 108.787 108.800 -1.173 0.000 2.179 366 G HA2 0.130 4.089 3.960 -0.002 0.000 0.257 366 G HA3 0.130 4.089 3.960 -0.002 0.000 0.257 366 G C 1.088 175.815 174.900 -0.289 0.000 1.010 366 G CA 0.548 45.248 45.100 -0.667 0.000 0.736 366 G HN 1.867 nan 8.290 nan 0.000 0.513 367 G N -1.239 107.404 108.800 -0.262 0.000 2.255 367 G HA2 -0.186 3.772 3.960 -0.002 0.000 0.196 367 G HA3 -0.186 3.772 3.960 -0.002 0.000 0.196 367 G C 0.987 175.827 174.900 -0.101 0.000 0.998 367 G CA 1.189 46.218 45.100 -0.118 0.000 0.656 367 G HN 1.037 nan 8.290 nan 0.000 0.490 368 R N 0.441 120.855 120.500 -0.142 0.000 2.070 368 R HA 0.199 4.537 4.340 -0.002 0.000 0.232 368 R C 2.512 178.727 176.300 -0.141 0.000 1.138 368 R CA 1.802 57.831 56.100 -0.119 0.000 0.936 368 R CB -0.417 29.809 30.300 -0.123 0.000 0.839 368 R HN 0.427 nan 8.270 nan 0.000 0.429 369 L N 0.358 121.436 121.223 -0.241 0.000 2.093 369 L HA -0.143 4.195 4.340 -0.002 0.000 0.208 369 L C 2.281 179.060 176.870 -0.150 0.000 1.085 369 L CA 1.411 55.992 54.840 -0.432 0.000 0.755 369 L CB -0.377 41.054 42.059 -1.045 0.000 0.904 369 L HN 0.258 nan 8.230 nan 0.000 0.435 370 E N 0.307 120.536 120.200 0.047 0.000 2.047 370 E HA -0.121 4.228 4.350 -0.002 0.000 0.191 370 E C 2.236 178.903 176.600 0.111 0.000 0.987 370 E CA 1.206 57.740 56.400 0.222 0.000 0.799 370 E CB -0.566 29.220 29.700 0.144 0.000 0.752 370 E HN 0.408 nan 8.360 nan 0.000 0.449 371 G N 0.532 109.355 108.800 0.038 0.000 2.422 371 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.218 371 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.218 371 G C 1.468 176.387 174.900 0.031 0.000 1.146 371 G CA 0.657 45.773 45.100 0.027 0.000 0.769 371 G HN 0.183 nan 8.290 nan 0.000 0.547 372 Q N -0.843 118.967 119.800 0.016 0.000 2.124 372 Q HA -0.037 4.302 4.340 -0.002 0.000 0.202 372 Q C 2.479 178.515 176.000 0.058 0.000 0.977 372 Q CA 0.969 56.783 55.803 0.019 0.000 0.850 372 Q CB -0.200 28.526 28.738 -0.020 0.000 0.901 372 Q HN 0.438 nan 8.270 nan 0.000 0.429 373 L N 0.246 121.531 121.223 0.104 0.000 2.027 373 L HA -0.145 4.194 4.340 -0.002 0.000 0.206 373 L C 2.114 179.043 176.870 0.098 0.000 1.074 373 L CA 1.968 56.893 54.840 0.141 0.000 0.745 373 L CB -0.886 41.322 42.059 0.248 0.000 0.898 373 L HN 0.085 nan 8.230 nan 0.000 0.433 374 T N -0.807 113.797 114.554 0.084 0.000 2.665 374 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 374 T C 1.983 176.720 174.700 0.061 0.000 1.035 374 T CA 1.779 63.918 62.100 0.065 0.000 1.151 374 T CB -0.366 68.533 68.868 0.052 0.000 0.862 374 T HN 0.407 nan 8.240 nan 0.000 0.438 375 S N 0.997 116.729 115.700 0.054 0.000 2.382 375 S HA -0.003 4.466 4.470 -0.002 0.000 0.228 375 S C 2.524 177.162 174.600 0.064 0.000 1.027 375 S CA 0.923 59.153 58.200 0.050 0.000 0.991 375 S CB -0.451 62.772 63.200 0.038 0.000 0.823 375 S HN 0.596 nan 8.310 nan 0.000 0.469 376 A N 1.509 124.372 122.820 0.072 0.000 1.898 376 A HA -0.090 4.229 4.320 -0.002 0.000 0.216 376 A C 1.967 179.617 177.584 0.110 0.000 1.181 376 A CA 1.263 53.351 52.037 0.084 0.000 0.620 376 A CB -0.481 18.565 19.000 0.078 0.000 0.819 376 A HN 0.527 nan 8.150 nan 0.000 0.442 377 E N -0.050 120.212 120.200 0.104 0.000 2.077 377 E HA -0.121 4.228 4.350 -0.002 0.000 0.193 377 E C 2.303 178.994 176.600 0.151 0.000 0.989 377 E CA 0.991 57.472 56.400 0.134 0.000 0.800 377 E CB -0.310 29.450 29.700 0.100 0.000 0.746 377 E HN 0.611 nan 8.360 nan 0.000 0.452 378 A N 1.581 124.461 122.820 0.100 0.000 1.908 378 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 378 A C 2.128 179.755 177.584 0.073 0.000 1.181 378 A CA 1.849 53.931 52.037 0.074 0.000 0.627 378 A CB -0.430 18.602 19.000 0.053 0.000 0.818 378 A HN 0.040 nan 8.150 nan 0.000 0.445 379 R N -1.156 119.396 120.500 0.088 0.000 2.081 379 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 379 R C 1.923 178.289 176.300 0.110 0.000 1.131 379 R CA 2.113 58.264 56.100 0.083 0.000 0.960 379 R CB -1.183 29.168 30.300 0.085 0.000 0.856 379 R HN 0.635 nan 8.270 nan 0.000 0.436 380 Y N 0.852 121.171 120.300 0.032 0.000 2.128 380 Y HA -0.274 4.275 4.550 -0.002 0.000 0.284 380 Y C 2.089 178.005 175.900 0.027 0.000 1.154 380 Y CA 2.218 60.335 58.100 0.029 0.000 1.149 380 Y CB -0.058 38.418 38.460 0.026 0.000 0.976 380 Y HN 0.232 nan 8.280 nan 0.000 0.505 381 Q N 0.003 119.753 119.800 -0.083 0.000 2.084 381 Q HA -0.260 4.079 4.340 -0.002 0.000 0.202 381 Q C 2.273 178.192 176.000 -0.135 0.000 0.978 381 Q CA 1.850 57.558 55.803 -0.158 0.000 0.844 381 Q CB -0.242 28.489 28.738 -0.011 0.000 0.898 381 Q HN 0.635 nan 8.270 nan 0.000 0.426 382 E N 0.465 120.628 120.200 -0.061 0.000 2.058 382 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 382 E C 1.916 178.486 176.600 -0.050 0.000 0.997 382 E CA 1.088 57.466 56.400 -0.036 0.000 0.801 382 E CB -0.090 29.607 29.700 -0.004 0.000 0.746 382 E HN 0.344 nan 8.360 nan 0.000 0.450 383 A N 0.494 123.275 122.820 -0.065 0.000 1.933 383 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 383 A C 2.382 179.924 177.584 -0.071 0.000 1.175 383 A CA 1.358 53.371 52.037 -0.041 0.000 0.628 383 A CB -0.525 18.473 19.000 -0.003 0.000 0.814 383 A HN 0.241 nan 8.150 nan 0.000 0.444 384 V N -0.318 119.463 119.914 -0.221 0.000 2.358 384 V HA -0.207 3.912 4.120 -0.002 0.000 0.246 384 V C 3.022 179.104 176.094 -0.021 0.000 1.047 384 V CA 1.826 64.016 62.300 -0.184 0.000 1.035 384 V CB -1.062 30.525 31.823 -0.393 0.000 0.658 384 V HN 0.607 nan 8.190 nan 0.000 0.452 385 A N -0.906 121.883 122.820 -0.052 0.000 1.930 385 A HA -0.259 4.060 4.320 -0.002 0.000 0.217 385 A C 2.165 179.752 177.584 0.005 0.000 1.175 385 A CA 1.732 53.759 52.037 -0.017 0.000 0.627 385 A CB -0.435 18.549 19.000 -0.027 0.000 0.815 385 A HN 0.603 nan 8.150 nan 0.000 0.443 386 Q N -1.928 117.880 119.800 0.014 0.000 2.084 386 Q HA -0.218 4.121 4.340 -0.002 0.000 0.202 386 Q C 1.995 178.022 176.000 0.045 0.000 0.978 386 Q CA 1.900 57.719 55.803 0.026 0.000 0.844 386 Q CB -0.387 28.370 28.738 0.032 0.000 0.898 386 Q HN 0.853 nan 8.270 nan 0.000 0.426 387 Y N 1.794 122.072 120.300 -0.038 0.000 2.145 387 Y HA -0.258 4.291 4.550 -0.002 0.000 0.286 387 Y C 1.804 177.687 175.900 -0.027 0.000 1.145 387 Y CA 1.644 59.726 58.100 -0.031 0.000 1.148 387 Y CB -0.215 38.217 38.460 -0.047 0.000 0.981 387 Y HN 0.105 nan 8.280 nan 0.000 0.507 388 N N 0.353 119.028 118.700 -0.041 0.000 2.104 388 N HA -0.150 4.589 4.740 -0.002 0.000 0.190 388 N C 2.071 177.499 175.510 -0.136 0.000 1.024 388 N CA 1.525 54.510 53.050 -0.108 0.000 0.853 388 N CB -1.131 37.359 38.487 0.005 0.000 1.008 388 N HN 0.581 nan 8.380 nan 0.000 0.424 389 G N -0.092 108.658 108.800 -0.082 0.000 2.422 389 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.218 389 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.218 389 G C 1.596 176.446 174.900 -0.084 0.000 1.146 389 G CA 1.394 46.457 45.100 -0.063 0.000 0.769 389 G HN 0.283 nan 8.290 nan 0.000 0.547 390 T N 1.288 115.767 114.554 -0.125 0.000 2.777 390 T HA 0.013 4.362 4.350 -0.002 0.000 0.266 390 T C 2.433 177.033 174.700 -0.167 0.000 1.040 390 T CA 0.725 62.751 62.100 -0.125 0.000 1.141 390 T CB -0.163 68.631 68.868 -0.124 0.000 0.868 390 T HN 0.151 nan 8.240 nan 0.000 0.444 391 L N 0.660 121.710 121.223 -0.287 0.000 2.017 391 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 391 L C 2.670 179.470 176.870 -0.117 0.000 1.073 391 L CA 1.007 55.702 54.840 -0.243 0.000 0.745 391 L CB -0.763 41.103 42.059 -0.321 0.000 0.894 391 L HN 0.142 nan 8.230 nan 0.000 0.432 392 V N -0.534 119.323 119.914 -0.096 0.000 2.295 392 V HA -0.304 3.814 4.120 -0.002 0.000 0.246 392 V C 2.468 178.567 176.094 0.007 0.000 1.049 392 V CA 1.866 64.140 62.300 -0.043 0.000 1.024 392 V CB -0.487 31.308 31.823 -0.046 0.000 0.648 392 V HN 0.437 nan 8.190 nan 0.000 0.447 393 Q N 0.406 120.212 119.800 0.010 0.000 2.124 393 Q HA -0.109 4.229 4.340 -0.002 0.000 0.202 393 Q C 2.098 178.124 176.000 0.043 0.000 0.977 393 Q CA 2.095 57.938 55.803 0.066 0.000 0.850 393 Q CB -0.625 28.135 28.738 0.036 0.000 0.901 393 Q HN 0.611 nan 8.270 nan 0.000 0.429 394 A N -0.173 122.644 122.820 -0.005 0.000 1.898 394 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 394 A C 2.106 179.689 177.584 -0.002 0.000 1.181 394 A CA 1.186 53.212 52.037 -0.018 0.000 0.620 394 A CB -0.660 18.315 19.000 -0.041 0.000 0.819 394 A HN 0.428 nan 8.150 nan 0.000 0.442 395 L N -1.357 119.872 121.223 0.011 0.000 2.131 395 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 395 L C 2.613 179.529 176.870 0.076 0.000 1.092 395 L CA 1.678 56.534 54.840 0.026 0.000 0.759 395 L CB -0.683 41.384 42.059 0.014 0.000 0.903 395 L HN 0.682 nan 8.230 nan 0.000 0.435 396 H N 0.276 119.329 119.070 -0.028 0.000 2.326 396 H HA -0.165 4.390 4.556 -0.002 0.000 0.301 396 H C 2.064 177.379 175.328 -0.023 0.000 1.081 396 H CA 1.613 57.647 56.048 -0.024 0.000 1.334 396 H CB 0.348 30.095 29.762 -0.025 0.000 1.385 396 H HN 0.377 nan 8.280 nan 0.000 0.504 397 E N 0.412 120.565 120.200 -0.079 0.000 2.077 397 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 397 E C 2.368 178.918 176.600 -0.085 0.000 0.989 397 E CA 1.323 57.628 56.400 -0.159 0.000 0.800 397 E CB 0.096 29.737 29.700 -0.098 0.000 0.746 397 E HN 0.538 nan 8.360 nan 0.000 0.452 398 I N 0.965 121.509 120.570 -0.042 0.000 2.252 398 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 398 I C 2.494 178.603 176.117 -0.014 0.000 1.102 398 I CA 0.888 62.167 61.300 -0.035 0.000 1.385 398 I CB -0.265 37.719 38.000 -0.027 0.000 1.064 398 I HN 0.080 nan 8.210 nan 0.000 0.414 399 A N 0.443 123.272 122.820 0.015 0.000 1.940 399 A HA -0.254 4.065 4.320 -0.002 0.000 0.219 399 A C 1.923 179.522 177.584 0.024 0.000 1.176 399 A CA 2.232 54.288 52.037 0.032 0.000 0.631 399 A CB -0.586 18.454 19.000 0.066 0.000 0.814 399 A HN 0.335 nan 8.150 nan 0.000 0.446 400 D N -0.573 119.830 120.400 0.006 0.000 2.123 400 D HA -0.062 4.577 4.640 -0.002 0.000 0.200 400 D C 2.048 178.331 176.300 -0.029 0.000 0.976 400 D CA 1.206 55.196 54.000 -0.016 0.000 0.831 400 D CB -0.325 40.426 40.800 -0.082 0.000 0.974 400 D HN 0.188 nan 8.370 nan 0.000 0.469 401 V N 0.434 120.323 119.914 -0.043 0.000 2.343 401 V HA -0.210 3.909 4.120 -0.002 0.000 0.247 401 V C 2.559 178.642 176.094 -0.018 0.000 1.051 401 V CA 1.067 63.343 62.300 -0.039 0.000 1.036 401 V CB -0.453 31.339 31.823 -0.052 0.000 0.654 401 V HN 0.073 nan 8.190 nan 0.000 0.451 402 V N -0.351 119.557 119.914 -0.011 0.000 2.295 402 V HA -0.280 3.839 4.120 -0.002 0.000 0.246 402 V C 2.580 178.677 176.094 0.005 0.000 1.049 402 V CA 2.649 64.950 62.300 0.001 0.000 1.024 402 V CB -1.020 30.807 31.823 0.007 0.000 0.648 402 V HN 0.592 nan 8.190 nan 0.000 0.447 403 T N -0.125 114.432 114.554 0.006 0.000 2.684 403 T HA -0.203 4.145 4.350 -0.002 0.000 0.267 403 T C 2.115 176.818 174.700 0.005 0.000 1.036 403 T CA 2.144 64.249 62.100 0.008 0.000 1.148 403 T CB -0.256 68.620 68.868 0.013 0.000 0.863 403 T HN 0.503 nan 8.240 nan 0.000 0.436 404 S N 0.897 116.596 115.700 -0.001 0.000 2.395 404 S HA -0.010 4.458 4.470 -0.002 0.000 0.225 404 S C 2.507 177.110 174.600 0.004 0.000 1.027 404 S CA 0.680 58.879 58.200 -0.002 0.000 0.965 404 S CB -0.235 62.958 63.200 -0.012 0.000 0.812 404 S HN 0.395 nan 8.310 nan 0.000 0.482 405 S N 1.984 117.687 115.700 0.006 0.000 2.356 405 S HA -0.152 4.317 4.470 -0.002 0.000 0.223 405 S C 2.004 176.614 174.600 0.017 0.000 1.032 405 S CA 1.100 59.309 58.200 0.015 0.000 1.005 405 S CB -0.338 62.872 63.200 0.016 0.000 0.867 405 S HN 0.535 nan 8.310 nan 0.000 0.449 406 Q N 0.548 120.356 119.800 0.013 0.000 2.119 406 Q HA 0.016 4.355 4.340 -0.002 0.000 0.201 406 Q C 2.371 178.378 176.000 0.012 0.000 0.972 406 Q CA 1.267 57.078 55.803 0.013 0.000 0.847 406 Q CB -0.302 28.442 28.738 0.011 0.000 0.903 406 Q HN 0.595 nan 8.270 nan 0.000 0.433 407 A N 0.551 123.377 122.820 0.010 0.000 2.119 407 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 407 A C 1.940 179.531 177.584 0.012 0.000 1.153 407 A CA 0.557 52.600 52.037 0.009 0.000 0.692 407 A CB -0.274 18.731 19.000 0.007 0.000 0.799 407 A HN 0.303 nan 8.150 nan 0.000 0.458 408 L N -0.620 120.612 121.223 0.015 0.000 2.056 408 L HA -0.124 4.215 4.340 -0.002 0.000 0.207 408 L C 2.396 179.278 176.870 0.019 0.000 1.078 408 L CA 2.494 57.345 54.840 0.018 0.000 0.749 408 L CB -0.676 41.398 42.059 0.025 0.000 0.901 408 L HN 0.430 nan 8.230 nan 0.000 0.433 409 Q N -0.190 119.622 119.800 0.020 0.000 2.084 409 Q HA -0.126 4.213 4.340 -0.002 0.000 0.202 409 Q C 2.161 178.170 176.000 0.015 0.000 0.978 409 Q CA 2.167 57.982 55.803 0.020 0.000 0.844 409 Q CB -0.480 28.269 28.738 0.019 0.000 0.898 409 Q HN 0.583 nan 8.270 nan 0.000 0.426 410 A N 0.306 123.134 122.820 0.013 0.000 1.898 410 A HA -0.182 4.136 4.320 -0.002 0.000 0.216 410 A C 2.081 179.671 177.584 0.010 0.000 1.181 410 A CA 1.437 53.480 52.037 0.010 0.000 0.620 410 A CB -0.465 18.540 19.000 0.008 0.000 0.819 410 A HN 0.397 nan 8.150 nan 0.000 0.442 411 R N -0.466 120.041 120.500 0.010 0.000 2.080 411 R HA -0.118 4.220 4.340 -0.002 0.000 0.236 411 R C 2.029 178.336 176.300 0.011 0.000 1.137 411 R CA 1.792 57.898 56.100 0.010 0.000 0.943 411 R CB -0.577 29.729 30.300 0.010 0.000 0.846 411 R HN 0.559 nan 8.270 nan 0.000 0.431 412 I N 1.173 121.752 120.570 0.014 0.000 2.179 412 I HA -0.301 3.868 4.170 -0.002 0.000 0.242 412 I C 1.823 177.948 176.117 0.014 0.000 1.088 412 I CA 1.157 62.467 61.300 0.016 0.000 1.357 412 I CB -0.411 37.602 38.000 0.021 0.000 1.051 412 I HN 0.204 nan 8.210 nan 0.000 0.409 413 N N 1.070 119.778 118.700 0.013 0.000 2.043 413 N HA -0.171 4.567 4.740 -0.002 0.000 0.193 413 N C 1.775 177.290 175.510 0.008 0.000 1.037 413 N CA 1.264 54.321 53.050 0.011 0.000 0.851 413 N CB -0.279 38.214 38.487 0.010 0.000 1.027 413 N HN 0.191 nan 8.380 nan 0.000 0.422 414 K N 0.295 120.699 120.400 0.007 0.000 2.097 414 K HA 0.034 4.353 4.320 -0.002 0.000 0.206 414 K C 1.968 178.571 176.600 0.006 0.000 1.049 414 K CA 0.975 57.266 56.287 0.006 0.000 0.933 414 K CB -0.909 31.594 32.500 0.005 0.000 0.717 414 K HN 0.264 nan 8.250 nan 0.000 0.442 415 T N 1.362 115.921 114.554 0.007 0.000 2.857 415 T HA -0.068 4.281 4.350 -0.002 0.000 0.266 415 T C 1.733 176.438 174.700 0.008 0.000 1.048 415 T CA 1.021 63.125 62.100 0.007 0.000 1.139 415 T CB -0.021 68.852 68.868 0.008 0.000 0.874 415 T HN 0.342 nan 8.240 nan 0.000 0.455 416 E N 1.227 121.432 120.200 0.009 0.000 2.085 416 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 416 E C 2.490 179.094 176.600 0.006 0.000 0.994 416 E CA 1.127 57.532 56.400 0.009 0.000 0.801 416 E CB -0.129 29.577 29.700 0.010 0.000 0.743 416 E HN 0.569 nan 8.360 nan 0.000 0.453 417 Q N 0.058 119.861 119.800 0.005 0.000 2.084 417 Q HA -0.164 4.175 4.340 -0.002 0.000 0.202 417 Q C 2.225 178.227 176.000 0.003 0.000 0.978 417 Q CA 1.378 57.184 55.803 0.003 0.000 0.844 417 Q CB -0.176 28.564 28.738 0.003 0.000 0.898 417 Q HN 0.246 nan 8.270 nan 0.000 0.426 418 A N 0.341 123.163 122.820 0.003 0.000 1.902 418 A HA -0.138 4.180 4.320 -0.002 0.000 0.217 418 A C 2.348 179.934 177.584 0.003 0.000 1.181 418 A CA 1.281 53.319 52.037 0.002 0.000 0.623 418 A CB -0.728 18.273 19.000 0.002 0.000 0.818 418 A HN 0.206 nan 8.150 nan 0.000 0.443 419 V N 0.139 120.056 119.914 0.005 0.000 2.255 419 V HA -0.347 3.772 4.120 -0.002 0.000 0.247 419 V C 2.705 178.802 176.094 0.006 0.000 1.051 419 V CA 2.376 64.680 62.300 0.006 0.000 1.018 419 V CB -0.945 30.884 31.823 0.009 0.000 0.641 419 V HN 0.643 nan 8.190 nan 0.000 0.445 420 Q N -0.802 119.000 119.800 0.004 0.000 2.084 420 Q HA -0.224 4.114 4.340 -0.002 0.000 0.202 420 Q C 2.384 178.384 176.000 -0.001 0.000 0.978 420 Q CA 1.352 57.155 55.803 0.000 0.000 0.844 420 Q CB -0.211 28.526 28.738 -0.002 0.000 0.898 420 Q HN 0.644 nan 8.270 nan 0.000 0.426 421 Q N -0.112 119.688 119.800 0.001 0.000 2.172 421 Q HA -0.053 4.286 4.340 -0.002 0.000 0.200 421 Q C 2.018 178.022 176.000 0.007 0.000 0.964 421 Q CA 1.243 57.048 55.803 0.002 0.000 0.855 421 Q CB -0.198 28.541 28.738 0.002 0.000 0.918 421 Q HN 0.344 nan 8.270 nan 0.000 0.444 422 A N 1.186 124.010 122.820 0.006 0.000 1.969 422 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 422 A C 2.007 179.600 177.584 0.016 0.000 1.169 422 A CA 1.480 53.521 52.037 0.007 0.000 0.635 422 A CB -0.376 18.625 19.000 0.003 0.000 0.810 422 A HN 0.424 nan 8.150 nan 0.000 0.445 423 E N -0.795 119.416 120.200 0.018 0.000 2.072 423 E HA -0.265 4.084 4.350 -0.002 0.000 0.191 423 E C 2.166 178.795 176.600 0.048 0.000 0.985 423 E CA 1.346 57.764 56.400 0.030 0.000 0.801 423 E CB -0.120 29.591 29.700 0.019 0.000 0.750 423 E HN 0.550 nan 8.360 nan 0.000 0.452 424 Q N 0.738 120.553 119.800 0.025 0.000 2.061 424 Q HA -0.148 4.190 4.340 -0.002 0.000 0.204 424 Q C 1.892 177.939 176.000 0.079 0.000 0.984 424 Q CA 2.167 57.989 55.803 0.032 0.000 0.846 424 Q CB -0.609 28.129 28.738 -0.001 0.000 0.902 424 Q HN 0.348 nan 8.270 nan 0.000 0.421 425 A N 0.044 122.893 122.820 0.049 0.000 1.908 425 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 425 A C 2.025 179.639 177.584 0.050 0.000 1.181 425 A CA 1.684 53.746 52.037 0.042 0.000 0.627 425 A CB -0.894 18.117 19.000 0.018 0.000 0.818 425 A HN 0.475 nan 8.150 nan 0.000 0.445 426 L N -0.853 120.401 121.223 0.052 0.000 2.044 426 L HA -0.096 4.243 4.340 -0.002 0.000 0.205 426 L C 2.351 179.262 176.870 0.069 0.000 1.075 426 L CA 2.824 57.688 54.840 0.040 0.000 0.747 426 L CB -0.978 41.101 42.059 0.034 0.000 0.903 426 L HN 0.655 nan 8.230 nan 0.000 0.435 427 H N -0.751 118.326 119.070 0.011 0.000 2.319 427 H HA -0.187 4.368 4.556 -0.002 0.000 0.299 427 H C 2.129 177.473 175.328 0.026 0.000 1.092 427 H CA 2.582 58.642 56.048 0.020 0.000 1.302 427 H CB -0.200 29.572 29.762 0.017 0.000 1.373 427 H HN 0.414 nan 8.280 nan 0.000 0.497 428 I N 0.472 121.140 120.570 0.164 0.000 2.252 428 I HA -0.215 3.954 4.170 -0.002 0.000 0.245 428 I C 2.768 178.899 176.117 0.022 0.000 1.102 428 I CA 1.006 62.361 61.300 0.091 0.000 1.385 428 I CB -0.394 37.677 38.000 0.118 0.000 1.064 428 I HN 0.500 nan 8.210 nan 0.000 0.414 429 A N 0.507 123.344 122.820 0.029 0.000 1.930 429 A HA -0.216 4.102 4.320 -0.002 0.000 0.217 429 A C 2.446 180.060 177.584 0.050 0.000 1.175 429 A CA 2.354 54.409 52.037 0.030 0.000 0.627 429 A CB -1.134 17.868 19.000 0.003 0.000 0.815 429 A HN 0.517 nan 8.150 nan 0.000 0.443 430 T N -2.496 112.065 114.554 0.013 0.000 2.896 430 T HA -0.085 4.264 4.350 -0.002 0.000 0.263 430 T C 1.689 176.409 174.700 0.034 0.000 1.050 430 T CA 1.113 63.239 62.100 0.043 0.000 1.140 430 T CB -0.469 68.399 68.868 0.000 0.000 0.877 430 T HN 0.335 nan 8.240 nan 0.000 0.457 431 N N 1.830 120.479 118.700 -0.085 0.000 2.043 431 N HA -0.028 4.711 4.740 -0.002 0.000 0.193 431 N C 2.134 177.635 175.510 -0.014 0.000 1.037 431 N CA 1.300 54.294 53.050 -0.093 0.000 0.851 431 N CB -0.388 37.992 38.487 -0.180 0.000 1.027 431 N HN 0.479 nan 8.380 nan 0.000 0.422 432 R N -0.576 119.931 120.500 0.011 0.000 2.105 432 R HA -0.158 4.181 4.340 -0.002 0.000 0.239 432 R C 2.044 178.375 176.300 0.052 0.000 1.135 432 R CA 1.137 57.255 56.100 0.030 0.000 0.967 432 R CB -0.370 29.956 30.300 0.043 0.000 0.861 432 R HN 0.350 nan 8.270 nan 0.000 0.442 433 Y N 1.562 121.858 120.300 -0.006 0.000 2.184 433 Y HA -0.165 4.383 4.550 -0.002 0.000 0.290 433 Y C 1.923 177.828 175.900 0.009 0.000 1.129 433 Y CA 1.483 59.592 58.100 0.015 0.000 1.144 433 Y CB 0.019 38.501 38.460 0.036 0.000 0.995 433 Y HN 0.014 nan 8.280 nan 0.000 0.513 434 Q N -0.809 119.032 119.800 0.067 0.000 2.561 434 Q HA -0.052 4.287 4.340 -0.002 0.000 0.217 434 Q C 1.109 177.066 176.000 -0.072 0.000 0.980 434 Q CA 0.852 56.653 55.803 -0.003 0.000 0.927 434 Q CB -0.151 28.609 28.738 0.037 0.000 0.980 434 Q HN 0.593 nan 8.270 nan 0.000 0.525 435 G N -1.177 107.570 108.800 -0.090 0.000 3.979 435 G HA2 0.339 4.297 3.960 -0.002 0.000 0.287 435 G HA3 0.339 4.297 3.960 -0.002 0.000 0.287 435 G C 0.518 175.359 174.900 -0.098 0.000 1.011 435 G CA -0.027 45.026 45.100 -0.079 0.000 0.818 435 G HN 0.277 nan 8.290 nan 0.000 0.470 436 G N 0.154 108.854 108.800 -0.167 0.000 2.314 436 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.292 436 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.292 436 G C 0.646 175.503 174.900 -0.071 0.000 1.059 436 G CA 0.699 45.711 45.100 -0.148 0.000 0.982 436 G HN 0.556 nan 8.290 nan 0.000 0.505 437 L N -1.354 119.845 121.223 -0.042 0.000 2.803 437 L HA 0.624 4.963 4.340 -0.002 0.000 0.246 437 L C 1.429 178.313 176.870 0.023 0.000 1.100 437 L CA 0.856 55.692 54.840 -0.006 0.000 0.919 437 L CB 0.388 42.447 42.059 0.000 0.000 1.285 437 L HN 0.555 nan 8.230 nan 0.000 0.522 438 A N -0.400 122.452 122.820 0.053 0.000 2.384 438 A HA 0.649 4.968 4.320 -0.002 0.000 0.312 438 A C 0.003 177.701 177.584 0.189 0.000 1.113 438 A CA -0.239 51.857 52.037 0.099 0.000 0.779 438 A CB 0.836 19.898 19.000 0.103 0.000 1.307 438 A HN 0.118 nan 8.150 nan 0.000 0.436 439 T N -1.445 113.209 114.554 0.167 0.000 2.788 439 T HA 0.210 4.558 4.350 -0.002 0.000 0.287 439 T C 0.927 175.779 174.700 0.252 0.000 1.007 439 T CA 0.483 62.720 62.100 0.229 0.000 1.005 439 T CB 0.141 69.084 68.868 0.125 0.000 1.012 439 T HN 0.802 nan 8.240 nan 0.000 0.530 440 Y N 0.842 121.213 120.300 0.118 0.000 2.224 440 Y HA -0.010 4.539 4.550 -0.002 0.000 0.289 440 Y C 2.103 177.943 175.900 -0.100 0.000 1.146 440 Y CA 1.185 59.188 58.100 -0.163 0.000 1.182 440 Y CB -0.561 37.812 38.460 -0.145 0.000 0.983 440 Y HN 0.631 nan 8.280 nan 0.000 0.524 441 L N 0.135 121.207 121.223 -0.252 0.000 2.043 441 L HA -0.290 4.048 4.340 -0.002 0.000 0.212 441 L C 1.871 178.576 176.870 -0.276 0.000 1.075 441 L CA 2.177 56.833 54.840 -0.307 0.000 0.752 441 L CB -0.629 41.368 42.059 -0.103 0.000 0.891 441 L HN 0.326 nan 8.230 nan 0.000 0.432 442 D N -0.794 119.510 120.400 -0.159 0.000 2.144 442 D HA -0.160 4.479 4.640 -0.002 0.000 0.199 442 D C 2.218 178.424 176.300 -0.157 0.000 0.984 442 D CA 1.126 55.060 54.000 -0.111 0.000 0.834 442 D CB -0.155 40.625 40.800 -0.033 0.000 0.955 442 D HN 0.228 nan 8.370 nan 0.000 0.465 443 V N 1.566 121.341 119.914 -0.232 0.000 2.307 443 V HA -0.203 3.916 4.120 -0.002 0.000 0.245 443 V C 2.629 178.536 176.094 -0.312 0.000 1.045 443 V CA 1.114 63.268 62.300 -0.244 0.000 1.024 443 V CB -0.548 31.118 31.823 -0.262 0.000 0.651 443 V HN 0.150 nan 8.190 nan 0.000 0.449 444 L N -0.205 120.674 121.223 -0.572 0.000 2.042 444 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 444 L C 2.367 179.100 176.870 -0.228 0.000 1.076 444 L CA 1.758 56.327 54.840 -0.453 0.000 0.749 444 L CB -0.219 41.455 42.059 -0.642 0.000 0.893 444 L HN 0.148 nan 8.230 nan 0.000 0.432 445 V N 0.188 119.982 119.914 -0.201 0.000 2.358 445 V HA -0.264 3.855 4.120 -0.002 0.000 0.246 445 V C 2.816 178.859 176.094 -0.085 0.000 1.047 445 V CA 1.678 63.907 62.300 -0.118 0.000 1.035 445 V CB -1.022 30.742 31.823 -0.098 0.000 0.658 445 V HN 0.621 nan 8.190 nan 0.000 0.452 446 A N -0.612 122.156 122.820 -0.086 0.000 1.898 446 A HA -0.226 4.093 4.320 -0.002 0.000 0.216 446 A C 2.187 179.745 177.584 -0.044 0.000 1.181 446 A CA 1.762 53.768 52.037 -0.052 0.000 0.620 446 A CB -0.475 18.501 19.000 -0.039 0.000 0.819 446 A HN 0.591 nan 8.150 nan 0.000 0.442 447 E N -0.800 119.364 120.200 -0.060 0.000 2.085 447 E HA -0.256 4.093 4.350 -0.002 0.000 0.194 447 E C 2.075 178.655 176.600 -0.033 0.000 0.994 447 E CA 1.537 57.913 56.400 -0.041 0.000 0.801 447 E CB -0.086 29.584 29.700 -0.050 0.000 0.743 447 E HN 0.776 nan 8.360 nan 0.000 0.453 448 E N 0.503 120.676 120.200 -0.045 0.000 2.047 448 E HA -0.166 4.183 4.350 -0.002 0.000 0.191 448 E C 2.064 178.649 176.600 -0.025 0.000 0.987 448 E CA 1.457 57.836 56.400 -0.034 0.000 0.799 448 E CB -0.196 29.478 29.700 -0.044 0.000 0.752 448 E HN 0.057 nan 8.360 nan 0.000 0.449 449 S N -0.542 115.142 115.700 -0.027 0.000 2.370 449 S HA -0.170 4.298 4.470 -0.002 0.000 0.226 449 S C 1.944 176.538 174.600 -0.011 0.000 1.033 449 S CA 1.295 59.484 58.200 -0.019 0.000 1.011 449 S CB -0.483 62.705 63.200 -0.020 0.000 0.852 449 S HN 0.368 nan 8.310 nan 0.000 0.457 450 L N 1.320 122.537 121.223 -0.009 0.000 1.989 450 L HA 0.032 4.371 4.340 -0.002 0.000 0.211 450 L C 2.249 179.119 176.870 0.000 0.000 1.071 450 L CA 1.961 56.801 54.840 -0.001 0.000 0.749 450 L CB -1.043 41.018 42.059 0.003 0.000 0.890 450 L HN 0.463 nan 8.230 nan 0.000 0.431 451 L N 0.116 121.337 121.223 -0.002 0.000 2.042 451 L HA -0.216 4.122 4.340 -0.002 0.000 0.210 451 L C 2.253 179.123 176.870 -0.001 0.000 1.076 451 L CA 1.772 56.611 54.840 -0.000 0.000 0.749 451 L CB -1.172 40.885 42.059 -0.003 0.000 0.893 451 L HN 0.390 nan 8.230 nan 0.000 0.432 452 N N 0.169 118.866 118.700 -0.005 0.000 2.120 452 N HA -0.166 4.572 4.740 -0.002 0.000 0.188 452 N C 1.561 177.071 175.510 -0.001 0.000 1.024 452 N CA 1.504 54.551 53.050 -0.005 0.000 0.852 452 N CB -0.563 37.919 38.487 -0.008 0.000 1.003 452 N HN 0.466 nan 8.380 nan 0.000 0.424 453 N N 1.105 119.805 118.700 -0.000 0.000 2.270 453 N HA -0.072 4.667 4.740 -0.002 0.000 0.181 453 N C 1.668 177.182 175.510 0.006 0.000 1.016 453 N CA 0.629 53.681 53.050 0.002 0.000 0.870 453 N CB -0.201 38.288 38.487 0.002 0.000 0.979 453 N HN 0.466 nan 8.380 nan 0.000 0.431 454 Q N 0.575 120.379 119.800 0.008 0.000 2.079 454 Q HA 0.020 4.359 4.340 -0.002 0.000 0.200 454 Q C 2.049 178.057 176.000 0.012 0.000 0.974 454 Q CA 1.015 56.825 55.803 0.012 0.000 0.840 454 Q CB 0.010 28.757 28.738 0.014 0.000 0.898 454 Q HN 0.328 nan 8.270 nan 0.000 0.430 455 R N 0.097 120.603 120.500 0.009 0.000 2.075 455 R HA -0.071 4.268 4.340 -0.002 0.000 0.232 455 R C 2.305 178.610 176.300 0.007 0.000 1.126 455 R CA 1.046 57.151 56.100 0.008 0.000 0.963 455 R CB -0.344 29.958 30.300 0.003 0.000 0.858 455 R HN 0.191 nan 8.270 nan 0.000 0.435 456 A N 1.404 124.227 122.820 0.005 0.000 1.908 456 A HA -0.185 4.133 4.320 -0.002 0.000 0.218 456 A C 2.082 179.671 177.584 0.009 0.000 1.181 456 A CA 1.190 53.230 52.037 0.005 0.000 0.627 456 A CB -0.514 18.488 19.000 0.003 0.000 0.818 456 A HN 0.229 nan 8.150 nan 0.000 0.445 457 L N -0.215 121.015 121.223 0.011 0.000 2.017 457 L HA -0.104 4.234 4.340 -0.002 0.000 0.208 457 L C 2.422 179.304 176.870 0.019 0.000 1.073 457 L CA 1.920 56.769 54.840 0.015 0.000 0.745 457 L CB -0.645 41.422 42.059 0.015 0.000 0.894 457 L HN 0.147 nan 8.230 nan 0.000 0.432 458 V N 0.203 120.128 119.914 0.019 0.000 2.343 458 V HA -0.333 3.785 4.120 -0.002 0.000 0.247 458 V C 2.223 178.331 176.094 0.024 0.000 1.051 458 V CA 2.276 64.590 62.300 0.023 0.000 1.036 458 V CB -0.830 31.006 31.823 0.021 0.000 0.654 458 V HN 0.599 nan 8.190 nan 0.000 0.451 459 N N -0.285 118.426 118.700 0.018 0.000 2.244 459 N HA -0.096 4.643 4.740 -0.002 0.000 0.183 459 N C 1.785 177.308 175.510 0.021 0.000 1.016 459 N CA 0.972 54.031 53.050 0.016 0.000 0.866 459 N CB -0.133 38.359 38.487 0.008 0.000 0.980 459 N HN 0.380 nan 8.380 nan 0.000 0.430 460 L N 0.943 122.178 121.223 0.021 0.000 2.109 460 L HA -0.142 4.197 4.340 -0.002 0.000 0.207 460 L C 2.311 179.202 176.870 0.036 0.000 1.086 460 L CA 1.049 55.903 54.840 0.024 0.000 0.760 460 L CB -0.296 41.775 42.059 0.020 0.000 0.910 460 L HN 0.218 nan 8.230 nan 0.000 0.437 461 Q N -0.890 118.933 119.800 0.038 0.000 2.084 461 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 461 Q C 2.454 178.496 176.000 0.071 0.000 0.978 461 Q CA 1.839 57.672 55.803 0.049 0.000 0.844 461 Q CB -0.227 28.535 28.738 0.039 0.000 0.898 461 Q HN 0.360 nan 8.270 nan 0.000 0.426 462 S N 0.539 116.280 115.700 0.069 0.000 2.399 462 S HA -0.195 4.274 4.470 -0.002 0.000 0.231 462 S C 1.917 176.580 174.600 0.103 0.000 1.022 462 S CA 1.149 59.411 58.200 0.102 0.000 0.983 462 S CB -0.109 63.135 63.200 0.073 0.000 0.803 462 S HN 0.286 nan 8.310 nan 0.000 0.480 463 R N 0.408 120.944 120.500 0.060 0.000 2.127 463 R HA -0.050 4.289 4.340 -0.002 0.000 0.238 463 R C 2.291 178.626 176.300 0.059 0.000 1.134 463 R CA 1.298 57.421 56.100 0.037 0.000 0.975 463 R CB -0.606 29.706 30.300 0.020 0.000 0.865 463 R HN 0.485 nan 8.270 nan 0.000 0.447 464 A N 0.484 123.359 122.820 0.092 0.000 1.902 464 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 464 A C 1.919 179.615 177.584 0.188 0.000 1.181 464 A CA 1.205 53.312 52.037 0.116 0.000 0.623 464 A CB -0.747 18.320 19.000 0.111 0.000 0.818 464 A HN 0.501 nan 8.150 nan 0.000 0.443 465 F N 1.485 121.441 119.950 0.011 0.000 2.113 465 F HA -0.098 4.428 4.527 -0.002 0.000 0.297 465 F C 2.536 178.319 175.800 -0.028 0.000 1.103 465 F CA 1.496 59.483 58.000 -0.022 0.000 1.248 465 F CB -0.876 38.086 39.000 -0.062 0.000 0.999 465 F HN 0.208 nan 8.300 nan 0.000 0.475 466 S N 0.933 116.571 115.700 -0.103 0.000 2.370 466 S HA -0.182 4.287 4.470 -0.002 0.000 0.226 466 S C 2.237 176.759 174.600 -0.131 0.000 1.033 466 S CA 1.539 59.612 58.200 -0.212 0.000 1.011 466 S CB -0.585 62.538 63.200 -0.127 0.000 0.852 466 S HN 0.394 nan 8.310 nan 0.000 0.457 467 L N 0.843 122.041 121.223 -0.041 0.000 2.141 467 L HA -0.127 4.211 4.340 -0.002 0.000 0.209 467 L C 2.304 179.172 176.870 -0.002 0.000 1.094 467 L CA 1.193 56.019 54.840 -0.022 0.000 0.763 467 L CB -0.483 41.580 42.059 0.006 0.000 0.908 467 L HN 0.251 nan 8.230 nan 0.000 0.437 468 D N 0.188 120.625 120.400 0.061 0.000 2.117 468 D HA -0.162 4.476 4.640 -0.002 0.000 0.198 468 D C 2.305 178.639 176.300 0.057 0.000 0.982 468 D CA 1.105 55.182 54.000 0.129 0.000 0.828 468 D CB 0.052 41.050 40.800 0.331 0.000 0.967 468 D HN 0.159 nan 8.370 nan 0.000 0.464 469 L N 0.003 121.205 121.223 -0.035 0.000 2.083 469 L HA -0.100 4.238 4.340 -0.002 0.000 0.209 469 L C 2.543 179.323 176.870 -0.151 0.000 1.083 469 L CA 1.073 55.836 54.840 -0.128 0.000 0.752 469 L CB -0.533 41.375 42.059 -0.252 0.000 0.899 469 L HN 0.051 nan 8.230 nan 0.000 0.433 470 A N 0.034 122.778 122.820 -0.126 0.000 1.972 470 A HA -0.203 4.115 4.320 -0.002 0.000 0.219 470 A C 2.222 179.749 177.584 -0.095 0.000 1.169 470 A CA 1.564 53.535 52.037 -0.111 0.000 0.635 470 A CB -0.546 18.390 19.000 -0.106 0.000 0.810 470 A HN 0.338 nan 8.150 nan 0.000 0.446 471 L N -0.161 121.000 121.223 -0.103 0.000 2.027 471 L HA -0.046 4.293 4.340 -0.002 0.000 0.206 471 L C 2.199 178.933 176.870 -0.226 0.000 1.074 471 L CA 1.639 56.400 54.840 -0.133 0.000 0.745 471 L CB -0.393 41.609 42.059 -0.095 0.000 0.898 471 L HN 0.413 nan 8.230 nan 0.000 0.433 472 I N -0.902 119.503 120.570 -0.275 0.000 2.226 472 I HA -0.331 3.838 4.170 -0.002 0.000 0.245 472 I C 2.595 178.455 176.117 -0.428 0.000 1.100 472 I CA 1.515 62.537 61.300 -0.464 0.000 1.374 472 I CB -0.633 36.934 38.000 -0.721 0.000 1.057 472 I HN 0.464 nan 8.210 nan 0.000 0.413 473 H N 1.291 120.135 119.070 -0.377 0.000 2.353 473 H HA -0.145 4.410 4.556 -0.002 0.000 0.300 473 H C 2.180 177.382 175.328 -0.210 0.000 1.090 473 H CA 1.885 57.776 56.048 -0.262 0.000 1.327 473 H CB 0.237 29.880 29.762 -0.198 0.000 1.383 473 H HN 0.343 nan 8.280 nan 0.000 0.508 474 A N 0.835 123.598 122.820 -0.094 0.000 1.969 474 A HA -0.032 4.287 4.320 -0.002 0.000 0.218 474 A C 2.680 180.146 177.584 -0.198 0.000 1.169 474 A CA 0.856 52.831 52.037 -0.104 0.000 0.635 474 A CB -0.568 18.379 19.000 -0.088 0.000 0.810 474 A HN 0.418 nan 8.150 nan 0.000 0.445 475 L N -1.480 119.557 121.223 -0.310 0.000 2.492 475 L HA 0.173 4.512 4.340 -0.002 0.000 0.223 475 L C 1.663 178.344 176.870 -0.316 0.000 1.132 475 L CA 0.579 55.162 54.840 -0.428 0.000 0.850 475 L CB -0.264 41.309 42.059 -0.810 0.000 0.966 475 L HN 0.567 nan 8.230 nan 0.000 0.454 476 G N -0.157 108.467 108.800 -0.293 0.000 2.132 476 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.234 476 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.234 476 G C 0.682 175.503 174.900 -0.131 0.000 0.989 476 G CA 0.087 45.072 45.100 -0.190 0.000 0.676 476 G HN 0.805 nan 8.290 nan 0.000 0.522 477 G N -1.223 107.406 108.800 -0.284 0.000 2.593 477 G HA2 0.369 4.328 3.960 -0.002 0.000 0.237 477 G HA3 0.369 4.328 3.960 -0.002 0.000 0.237 477 G C 0.992 175.784 174.900 -0.181 0.000 1.312 477 G CA 1.030 45.988 45.100 -0.238 0.000 0.896 477 G HN 2.069 nan 8.290 nan 0.000 0.574 478 G N -1.388 107.431 108.800 0.031 0.000 4.299 478 G HA2 0.520 4.479 3.960 -0.002 0.000 0.290 478 G HA3 0.520 4.479 3.960 -0.002 0.000 0.290 478 G C 0.101 175.103 174.900 0.170 0.000 1.019 478 G CA 0.397 45.470 45.100 -0.044 0.000 0.790 478 G HN 0.958 nan 8.290 nan 0.000 0.452 479 F N 2.217 122.284 119.950 0.195 0.000 2.608 479 F HA 0.437 4.963 4.527 -0.002 0.000 0.380 479 F C 0.531 176.499 175.800 0.280 0.000 1.083 479 F CA 1.266 59.397 58.000 0.219 0.000 1.266 479 F CB 0.653 39.779 39.000 0.210 0.000 1.076 479 F HN 0.344 nan 8.300 nan 0.000 0.574 480 E N 0.000 120.027 120.200 -0.289 0.000 2.725 480 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 480 E CA 0.000 56.347 56.400 -0.088 0.000 0.976 480 E CB 0.000 29.734 29.700 0.056 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440