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 1un0_1_B DATA FIRST_RESID 88 DATA SEQUENCE ELPQMTQQLN SDDMQEQLSA TVKFRQILSR EHRPPIDVVI QAGVVPRLVE DATA SEQUENCE FMRENQPEML QLEAAWALTN IASGTSAQTK VVVDADAVPL FIQLLYTGSV DATA SEQUENCE EVKEQAIWAL GNVAGDSTDY RDYVLQCNAM EPILGLFNSN KPSLIRTATW DATA SEQUENCE TLSNLCRGKK PQPDWSVVSQ ALPTLAKLIY SMDTETLVDA CWAISYLSDG DATA SEQUENCE PQEAIQAVID VRIPKRLVEL LSHESTLVQT PALRAVGNIV TGNDLQTQVV DATA SEQUENCE INAGVLPALR LLLSSPKENI KKEACWTISN ITAGNTEQIQ AVIDANLIPP DATA SEQUENCE LVKLLEVAED KTKKEACWAI SNASSGGLQR PDIIRYLVSQ GCIKPLCDLL DATA SEQUENCE EIADNRIIEV TLDALENILK MGEADKEARG LNINENADFI EKAGGMEKIF DATA SEQUENCE NCQQNENDKI YEKAYKIIET YFGEEEDAVD ETMAPQNAG 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 88 E HA 0.000 nan 4.350 nan 0.000 0.291 88 E C 0.000 176.550 176.600 -0.084 0.000 1.382 88 E CA 0.000 56.366 56.400 -0.056 0.000 0.976 88 E CB 0.000 29.663 29.700 -0.062 0.000 0.812 89 L N 0.627 121.809 121.223 -0.068 0.000 2.316 89 L HA 0.270 4.600 4.340 -0.018 0.000 0.207 89 L C -1.323 175.532 176.870 -0.025 0.000 1.070 89 L CA 0.684 55.477 54.840 -0.079 0.000 0.820 89 L CB -0.022 42.017 42.059 -0.034 0.000 0.992 89 L HN 0.072 nan 8.230 nan 0.000 0.466 90 P HA -0.173 nan 4.420 nan 0.000 0.218 90 P C 1.278 178.588 177.300 0.016 0.000 1.148 90 P CA 1.307 64.418 63.100 0.019 0.000 0.822 90 P CB 0.032 31.739 31.700 0.011 0.000 0.784 91 Q N -1.034 118.761 119.800 -0.008 0.000 2.050 91 Q HA -0.135 4.194 4.340 -0.018 0.000 0.202 91 Q C 2.218 178.213 176.000 -0.007 0.000 0.980 91 Q CA 1.528 57.325 55.803 -0.010 0.000 0.840 91 Q CB -0.574 28.148 28.738 -0.027 0.000 0.898 91 Q HN 0.295 nan 8.270 nan 0.000 0.424 92 M N -0.054 119.513 119.600 -0.056 0.000 2.108 92 M HA -0.172 4.297 4.480 -0.018 0.000 0.261 92 M C 2.237 178.615 176.300 0.130 0.000 1.066 92 M CA 1.497 56.748 55.300 -0.083 0.000 1.107 92 M CB -0.446 31.891 32.600 -0.438 0.000 1.356 92 M HN 0.181 nan 8.290 nan 0.000 0.406 93 T N 0.231 114.890 114.554 0.175 0.000 2.720 93 T HA -0.207 4.133 4.350 -0.018 0.000 0.268 93 T C 1.808 176.589 174.700 0.134 0.000 1.037 93 T CA 1.423 63.660 62.100 0.229 0.000 1.144 93 T CB -0.286 68.676 68.868 0.157 0.000 0.864 93 T HN 0.495 nan 8.240 nan 0.000 0.444 94 Q N 0.419 120.272 119.800 0.087 0.000 2.123 94 Q HA -0.095 4.235 4.340 -0.018 0.000 0.199 94 Q C 2.494 178.539 176.000 0.075 0.000 0.966 94 Q CA 1.026 56.867 55.803 0.064 0.000 0.845 94 Q CB -0.177 28.585 28.738 0.041 0.000 0.907 94 Q HN 0.575 nan 8.270 nan 0.000 0.439 95 Q N 0.620 120.468 119.800 0.080 0.000 2.170 95 Q HA -0.173 4.156 4.340 -0.018 0.000 0.203 95 Q C 1.848 177.929 176.000 0.136 0.000 0.976 95 Q CA 0.824 56.679 55.803 0.087 0.000 0.858 95 Q CB 0.051 28.828 28.738 0.065 0.000 0.907 95 Q HN 0.290 nan 8.270 nan 0.000 0.433 96 L N 0.762 122.093 121.223 0.180 0.000 2.478 96 L HA -0.009 4.321 4.340 -0.018 0.000 0.223 96 L C 1.034 178.015 176.870 0.185 0.000 1.140 96 L CA 0.966 55.941 54.840 0.224 0.000 0.842 96 L CB 0.080 42.252 42.059 0.188 0.000 0.953 96 L HN 0.182 nan 8.230 nan 0.000 0.452 97 N N -1.540 117.234 118.700 0.123 0.000 2.236 97 N HA 0.054 4.784 4.740 -0.018 0.000 0.196 97 N C 0.518 176.086 175.510 0.095 0.000 1.114 97 N CA 0.205 53.312 53.050 0.095 0.000 0.859 97 N CB 0.346 38.863 38.487 0.051 0.000 0.982 97 N HN 0.210 nan 8.380 nan 0.000 0.493 98 S N 0.783 116.541 115.700 0.097 0.000 2.558 98 S HA -0.020 4.440 4.470 -0.018 0.000 0.288 98 S C 0.587 175.229 174.600 0.070 0.000 1.318 98 S CA -0.005 58.237 58.200 0.071 0.000 1.056 98 S CB 0.745 63.983 63.200 0.063 0.000 0.853 98 S HN 0.069 nan 8.310 nan 0.000 0.505 99 D N 1.407 121.835 120.400 0.046 0.000 2.355 99 D HA 0.096 4.725 4.640 -0.018 0.000 0.218 99 D C -0.148 176.160 176.300 0.013 0.000 1.004 99 D CA 0.386 54.405 54.000 0.033 0.000 0.880 99 D CB -0.000 40.814 40.800 0.024 0.000 0.911 99 D HN 0.673 nan 8.370 nan 0.000 0.528 100 D N 0.407 120.815 120.400 0.014 0.000 2.346 100 D HA -0.022 4.607 4.640 -0.018 0.000 0.260 100 D C 1.294 177.586 176.300 -0.014 0.000 1.252 100 D CA 0.058 54.059 54.000 0.001 0.000 0.895 100 D CB 0.573 41.378 40.800 0.007 0.000 1.097 100 D HN -0.136 nan 8.370 nan 0.000 0.489 101 M N 2.582 122.159 119.600 -0.037 0.000 2.202 101 M HA -0.181 4.288 4.480 -0.018 0.000 0.262 101 M C 1.664 177.928 176.300 -0.060 0.000 1.063 101 M CA 1.250 56.505 55.300 -0.075 0.000 1.097 101 M CB -0.523 32.029 32.600 -0.081 0.000 1.382 101 M HN 0.522 nan 8.290 nan 0.000 0.413 102 Q N 1.036 120.817 119.800 -0.031 0.000 2.124 102 Q HA -0.159 4.170 4.340 -0.018 0.000 0.202 102 Q C 1.700 177.698 176.000 -0.004 0.000 0.977 102 Q CA 1.709 57.501 55.803 -0.018 0.000 0.850 102 Q CB -0.076 28.656 28.738 -0.009 0.000 0.901 102 Q HN 0.415 nan 8.270 nan 0.000 0.429 103 E N -0.184 120.020 120.200 0.007 0.000 2.122 103 E HA -0.101 4.239 4.350 -0.018 0.000 0.190 103 E C 2.018 178.656 176.600 0.062 0.000 0.977 103 E CA 0.627 57.046 56.400 0.032 0.000 0.820 103 E CB -0.086 29.636 29.700 0.036 0.000 0.770 103 E HN 0.556 nan 8.360 nan 0.000 0.462 104 Q N 0.532 120.362 119.800 0.051 0.000 2.112 104 Q HA -0.202 4.128 4.340 -0.018 0.000 0.206 104 Q C 2.292 178.346 176.000 0.091 0.000 0.987 104 Q CA 1.339 57.197 55.803 0.091 0.000 0.858 104 Q CB -0.199 28.458 28.738 -0.136 0.000 0.905 104 Q HN 0.120 nan 8.270 nan 0.000 0.420 105 L N -0.091 121.129 121.223 -0.004 0.000 2.005 105 L HA -0.162 4.168 4.340 -0.018 0.000 0.207 105 L C 2.400 179.308 176.870 0.064 0.000 1.072 105 L CA 1.939 56.789 54.840 0.017 0.000 0.744 105 L CB -0.790 41.259 42.059 -0.017 0.000 0.895 105 L HN 0.078 nan 8.230 nan 0.000 0.433 106 S N -0.953 114.775 115.700 0.047 0.000 2.387 106 S HA -0.239 4.221 4.470 -0.018 0.000 0.230 106 S C 2.073 176.709 174.600 0.061 0.000 1.035 106 S CA 1.409 59.633 58.200 0.039 0.000 1.014 106 S CB -0.435 62.779 63.200 0.023 0.000 0.836 106 S HN 0.639 nan 8.310 nan 0.000 0.466 107 A N 0.235 123.123 122.820 0.113 0.000 1.854 107 A HA -0.023 4.287 4.320 -0.018 0.000 0.214 107 A C 2.371 180.123 177.584 0.280 0.000 1.192 107 A CA 2.066 54.205 52.037 0.170 0.000 0.611 107 A CB -1.533 17.613 19.000 0.244 0.000 0.832 107 A HN 0.547 nan 8.150 nan 0.000 0.442 108 T N -0.227 114.513 114.554 0.309 0.000 2.849 108 T HA -0.107 4.232 4.350 -0.018 0.000 0.270 108 T C 1.750 176.566 174.700 0.193 0.000 1.066 108 T CA 1.572 63.857 62.100 0.309 0.000 1.130 108 T CB -0.287 68.782 68.868 0.336 0.000 0.864 108 T HN 0.154 nan 8.240 nan 0.000 0.481 109 V N 0.640 120.619 119.914 0.108 0.000 2.591 109 V HA -0.021 4.089 4.120 -0.018 0.000 0.249 109 V C 2.375 178.450 176.094 -0.031 0.000 1.053 109 V CA 1.270 63.577 62.300 0.011 0.000 1.068 109 V CB -0.314 31.509 31.823 0.000 0.000 0.689 109 V HN 0.319 nan 8.190 nan 0.000 0.462 110 K N 0.004 120.396 120.400 -0.013 0.000 2.062 110 K HA -0.074 4.235 4.320 -0.018 0.000 0.205 110 K C 1.919 178.451 176.600 -0.115 0.000 1.051 110 K CA 1.570 57.800 56.287 -0.096 0.000 0.941 110 K CB -0.350 32.064 32.500 -0.142 0.000 0.719 110 K HN 0.341 nan 8.250 nan 0.000 0.440 111 F N 1.024 120.942 119.950 -0.053 0.000 2.075 111 F HA -0.183 4.333 4.527 -0.017 0.000 0.297 111 F C 2.600 178.342 175.800 -0.098 0.000 1.113 111 F CA 1.342 59.308 58.000 -0.056 0.000 1.218 111 F CB -0.173 38.805 39.000 -0.036 0.000 0.984 111 F HN 0.024 nan 8.300 nan 0.000 0.472 112 R N 1.019 121.556 120.500 0.062 0.000 2.139 112 R HA -0.213 4.116 4.340 -0.018 0.000 0.243 112 R C 1.817 177.951 176.300 -0.276 0.000 1.145 112 R CA 1.923 57.915 56.100 -0.180 0.000 0.976 112 R CB -0.533 29.558 30.300 -0.349 0.000 0.866 112 R HN 0.441 nan 8.270 nan 0.000 0.449 113 Q N -0.086 119.594 119.800 -0.200 0.000 2.163 113 Q HA -0.024 4.306 4.340 -0.018 0.000 0.198 113 Q C 2.212 178.147 176.000 -0.109 0.000 0.954 113 Q CA 1.427 57.120 55.803 -0.184 0.000 0.851 113 Q CB -0.074 28.576 28.738 -0.147 0.000 0.928 113 Q HN 0.524 nan 8.270 nan 0.000 0.459 114 I N -2.173 118.350 120.570 -0.079 0.000 2.546 114 I HA -0.159 4.000 4.170 -0.018 0.000 0.255 114 I C 1.867 177.975 176.117 -0.015 0.000 1.163 114 I CA 0.993 62.264 61.300 -0.048 0.000 1.457 114 I CB -0.309 37.656 38.000 -0.058 0.000 1.092 114 I HN 0.069 nan 8.210 nan 0.000 0.434 115 L N 0.790 122.012 121.223 -0.002 0.000 2.201 115 L HA -0.094 4.235 4.340 -0.018 0.000 0.212 115 L C 2.344 179.224 176.870 0.017 0.000 1.105 115 L CA 1.010 55.867 54.840 0.027 0.000 0.775 115 L CB -0.350 41.736 42.059 0.045 0.000 0.913 115 L HN 0.268 nan 8.230 nan 0.000 0.440 116 S N -1.202 114.483 115.700 -0.026 0.000 2.558 116 S HA 0.022 4.481 4.470 -0.018 0.000 0.217 116 S C 0.918 175.514 174.600 -0.007 0.000 0.975 116 S CA -0.223 57.975 58.200 -0.003 0.000 0.912 116 S CB -0.188 62.983 63.200 -0.048 0.000 0.776 116 S HN 0.256 nan 8.310 nan 0.000 0.526 117 R N 1.943 122.433 120.500 -0.018 0.000 2.504 117 R HA -0.072 4.258 4.340 -0.018 0.000 0.291 117 R C 1.211 177.483 176.300 -0.047 0.000 0.974 117 R CA 0.303 56.384 56.100 -0.031 0.000 1.077 117 R CB 0.303 30.597 30.300 -0.009 0.000 0.926 117 R HN 0.142 nan 8.270 nan 0.000 0.407 118 E N 2.525 122.643 120.200 -0.136 0.000 2.152 118 E HA -0.107 4.232 4.350 -0.018 0.000 0.192 118 E C -0.344 176.143 176.600 -0.187 0.000 0.983 118 E CA 1.263 57.539 56.400 -0.206 0.000 0.818 118 E CB 0.195 29.688 29.700 -0.345 0.000 0.758 118 E HN 0.514 nan 8.360 nan 0.000 0.467 119 H N 0.629 119.710 119.070 0.018 0.000 2.641 119 H HA 0.310 4.856 4.556 -0.018 0.000 0.295 119 H C -0.280 175.059 175.328 0.017 0.000 1.070 119 H CA -0.035 56.023 56.048 0.016 0.000 1.257 119 H CB 0.869 30.638 29.762 0.011 0.000 1.393 119 H HN 0.045 nan 8.280 nan 0.000 0.464 120 R N 1.582 122.165 120.500 0.138 0.000 3.201 120 R HA -0.119 4.211 4.340 -0.018 0.000 0.254 120 R C -2.796 173.543 176.300 0.066 0.000 0.978 120 R CA -0.251 55.901 56.100 0.086 0.000 0.661 120 R CB -2.375 27.969 30.300 0.073 0.000 1.170 120 R HN 0.404 nan 8.270 nan 0.000 0.430 121 P HA -0.007 nan 4.420 nan 0.000 0.263 121 P C -2.221 175.109 177.300 0.050 0.000 1.168 121 P CA -0.605 62.525 63.100 0.050 0.000 0.759 121 P CB 0.361 32.095 31.700 0.057 0.000 0.782 122 P HA 0.175 nan 4.420 nan 0.000 0.237 122 P C 0.636 177.972 177.300 0.061 0.000 1.723 122 P CA 0.208 63.337 63.100 0.048 0.000 0.882 122 P CB -0.471 31.254 31.700 0.042 0.000 1.810 123 I N 0.302 120.907 120.570 0.059 0.000 2.233 123 I HA -0.208 3.951 4.170 -0.018 0.000 0.243 123 I C 2.032 178.181 176.117 0.053 0.000 1.093 123 I CA 1.344 62.681 61.300 0.062 0.000 1.380 123 I CB -0.485 37.551 38.000 0.060 0.000 1.067 123 I HN 0.135 nan 8.210 nan 0.000 0.413 124 D N 1.440 121.867 120.400 0.045 0.000 2.092 124 D HA -0.175 4.454 4.640 -0.018 0.000 0.193 124 D C 2.089 178.413 176.300 0.040 0.000 0.994 124 D CA 1.412 55.434 54.000 0.037 0.000 0.828 124 D CB -1.153 39.665 40.800 0.031 0.000 0.963 124 D HN 0.198 nan 8.370 nan 0.000 0.450 125 V N 0.558 120.500 119.914 0.046 0.000 2.324 125 V HA -0.231 3.879 4.120 -0.018 0.000 0.250 125 V C 2.830 178.971 176.094 0.077 0.000 1.060 125 V CA 1.600 63.931 62.300 0.051 0.000 1.042 125 V CB -0.468 31.383 31.823 0.047 0.000 0.650 125 V HN 0.159 nan 8.190 nan 0.000 0.450 126 V N -0.440 119.535 119.914 0.103 0.000 2.453 126 V HA -0.185 3.924 4.120 -0.018 0.000 0.247 126 V C 2.157 178.287 176.094 0.060 0.000 1.048 126 V CA 1.796 64.191 62.300 0.159 0.000 1.049 126 V CB -0.417 31.530 31.823 0.207 0.000 0.672 126 V HN 0.437 nan 8.190 nan 0.000 0.457 127 I N -0.169 120.420 120.570 0.032 0.000 2.226 127 I HA -0.272 3.888 4.170 -0.018 0.000 0.245 127 I C 2.605 178.723 176.117 0.001 0.000 1.100 127 I CA 1.468 62.769 61.300 0.001 0.000 1.374 127 I CB -0.325 37.680 38.000 0.009 0.000 1.057 127 I HN 0.327 nan 8.210 nan 0.000 0.413 128 Q N 1.098 120.910 119.800 0.019 0.000 2.291 128 Q HA -0.026 4.303 4.340 -0.018 0.000 0.205 128 Q C 1.982 177.993 176.000 0.018 0.000 0.970 128 Q CA 1.417 57.229 55.803 0.016 0.000 0.876 128 Q CB -0.290 28.460 28.738 0.020 0.000 0.935 128 Q HN 0.487 nan 8.270 nan 0.000 0.455 129 A N -0.792 122.049 122.820 0.036 0.000 2.248 129 A HA 0.247 4.557 4.320 -0.018 0.000 0.210 129 A C 1.540 179.129 177.584 0.008 0.000 1.174 129 A CA 0.970 53.035 52.037 0.047 0.000 0.750 129 A CB -0.952 18.120 19.000 0.121 0.000 0.780 129 A HN 0.553 nan 8.150 nan 0.000 0.478 130 G N -1.525 107.261 108.800 -0.023 0.000 2.155 130 G HA2 -0.311 3.638 3.960 -0.018 0.000 0.257 130 G HA3 -0.311 3.638 3.960 -0.018 0.000 0.257 130 G C 1.089 175.927 174.900 -0.102 0.000 0.983 130 G CA 1.042 46.111 45.100 -0.051 0.000 0.676 130 G HN 1.618 nan 8.290 nan 0.000 0.528 131 V N -2.401 117.416 119.914 -0.162 0.000 3.306 131 V HA 0.178 4.287 4.120 -0.018 0.000 0.264 131 V C 2.399 178.300 176.094 -0.322 0.000 1.149 131 V CA 1.503 63.626 62.300 -0.296 0.000 1.143 131 V CB -0.114 31.380 31.823 -0.548 0.000 0.767 131 V HN 0.288 nan 8.190 nan 0.000 0.476 132 V N 1.302 121.079 119.914 -0.228 0.000 2.250 132 V HA -0.174 3.936 4.120 -0.018 0.000 0.250 132 V C 0.575 176.554 176.094 -0.192 0.000 1.060 132 V CA 3.216 65.403 62.300 -0.190 0.000 1.030 132 V CB -1.792 29.965 31.823 -0.111 0.000 0.643 132 V HN 0.526 nan 8.190 nan 0.000 0.445 133 P HA -0.163 nan 4.420 nan 0.000 0.218 133 P C 1.643 178.823 177.300 -0.199 0.000 1.148 133 P CA 1.317 64.330 63.100 -0.145 0.000 0.822 133 P CB -0.057 31.579 31.700 -0.105 0.000 0.784 134 R N 0.335 120.673 120.500 -0.270 0.000 2.066 134 R HA -0.042 4.288 4.340 -0.018 0.000 0.232 134 R C 2.171 178.079 176.300 -0.654 0.000 1.131 134 R CA 1.521 57.373 56.100 -0.413 0.000 0.955 134 R CB -1.675 28.369 30.300 -0.427 0.000 0.851 134 R HN 0.114 nan 8.270 nan 0.000 0.432 135 L N -0.207 120.671 121.223 -0.575 0.000 2.187 135 L HA -0.141 4.188 4.340 -0.018 0.000 0.213 135 L C 2.260 178.980 176.870 -0.249 0.000 1.100 135 L CA 0.842 55.386 54.840 -0.494 0.000 0.765 135 L CB -0.413 41.452 42.059 -0.323 0.000 0.904 135 L HN 0.054 nan 8.230 nan 0.000 0.437 136 V N -0.247 119.539 119.914 -0.214 0.000 2.453 136 V HA -0.220 3.889 4.120 -0.018 0.000 0.247 136 V C 2.339 178.384 176.094 -0.083 0.000 1.048 136 V CA 1.561 63.768 62.300 -0.155 0.000 1.049 136 V CB -0.326 31.410 31.823 -0.145 0.000 0.672 136 V HN 0.456 nan 8.190 nan 0.000 0.457 137 E N -0.288 119.874 120.200 -0.062 0.000 2.160 137 E HA -0.204 4.135 4.350 -0.018 0.000 0.195 137 E C 1.954 178.690 176.600 0.227 0.000 0.991 137 E CA 1.171 57.606 56.400 0.058 0.000 0.810 137 E CB -0.168 29.581 29.700 0.083 0.000 0.742 137 E HN 0.519 nan 8.360 nan 0.000 0.466 138 F N -0.068 119.852 119.950 -0.049 0.000 2.641 138 F HA -0.008 4.508 4.527 -0.018 0.000 0.298 138 F C 1.767 177.549 175.800 -0.030 0.000 1.146 138 F CA 0.791 58.773 58.000 -0.030 0.000 1.464 138 F CB -0.264 38.723 39.000 -0.022 0.000 1.101 138 F HN 0.039 nan 8.300 nan 0.000 0.585 139 M N -1.413 118.257 119.600 0.117 0.000 2.333 139 M HA 0.097 4.567 4.480 -0.018 0.000 0.257 139 M C 0.780 177.086 176.300 0.010 0.000 1.078 139 M CA 0.083 55.400 55.300 0.029 0.000 1.005 139 M CB 0.389 32.937 32.600 -0.086 0.000 1.444 139 M HN -0.235 nan 8.290 nan 0.000 0.496 140 R N 0.765 121.281 120.500 0.025 0.000 2.774 140 R HA 0.032 4.362 4.340 -0.018 0.000 0.269 140 R C 0.930 177.239 176.300 0.015 0.000 1.068 140 R CA 0.065 56.173 56.100 0.014 0.000 1.180 140 R CB 0.553 30.864 30.300 0.019 0.000 1.077 140 R HN 0.243 nan 8.270 nan 0.000 0.513 141 E N 0.871 121.077 120.200 0.009 0.000 2.110 141 E HA -0.213 4.127 4.350 -0.018 0.000 0.193 141 E C 0.573 177.175 176.600 0.002 0.000 0.988 141 E CA 1.607 58.011 56.400 0.008 0.000 0.804 141 E CB -0.175 29.525 29.700 0.001 0.000 0.745 141 E HN 0.572 nan 8.360 nan 0.000 0.458 142 N N 1.348 120.048 118.700 0.000 0.000 2.542 142 N HA -0.050 4.680 4.740 -0.018 0.000 0.234 142 N C -0.452 175.049 175.510 -0.015 0.000 1.257 142 N CA 0.293 53.339 53.050 -0.006 0.000 0.883 142 N CB 0.254 38.739 38.487 -0.004 0.000 1.197 142 N HN -0.043 nan 8.380 nan 0.000 0.488 143 Q N -0.214 119.576 119.800 -0.017 0.000 2.389 143 Q HA 0.445 4.774 4.340 -0.018 0.000 0.277 143 Q C -2.721 173.258 176.000 -0.036 0.000 1.082 143 Q CA -1.913 53.866 55.803 -0.040 0.000 0.810 143 Q CB 1.604 30.320 28.738 -0.037 0.000 1.374 143 Q HN 0.122 nan 8.270 nan 0.000 0.422 144 P HA -0.095 nan 4.420 nan 0.000 0.267 144 P C 0.624 177.917 177.300 -0.013 0.000 1.195 144 P CA 0.363 63.441 63.100 -0.037 0.000 0.773 144 P CB 0.750 32.416 31.700 -0.057 0.000 0.837 145 E N 1.921 122.123 120.200 0.002 0.000 2.106 145 E HA -0.179 4.160 4.350 -0.018 0.000 0.192 145 E C 1.589 178.209 176.600 0.033 0.000 0.984 145 E CA 1.418 57.831 56.400 0.021 0.000 0.806 145 E CB -0.500 29.212 29.700 0.021 0.000 0.750 145 E HN 0.239 nan 8.360 nan 0.000 0.458 146 M N -0.323 119.292 119.600 0.024 0.000 2.419 146 M HA 0.110 4.580 4.480 -0.018 0.000 0.264 146 M C 1.575 177.903 176.300 0.047 0.000 1.082 146 M CA 0.754 56.079 55.300 0.041 0.000 1.119 146 M CB -0.165 32.452 32.600 0.028 0.000 1.398 146 M HN 0.325 nan 8.290 nan 0.000 0.453 147 L N -0.234 120.995 121.223 0.011 0.000 2.071 147 L HA -0.046 4.284 4.340 -0.018 0.000 0.201 147 L C 2.090 179.003 176.870 0.071 0.000 1.076 147 L CA 1.708 56.545 54.840 -0.005 0.000 0.755 147 L CB -0.938 41.031 42.059 -0.149 0.000 0.915 147 L HN 0.339 nan 8.230 nan 0.000 0.445 148 Q N -0.683 119.153 119.800 0.059 0.000 2.224 148 Q HA -0.306 4.024 4.340 -0.018 0.000 0.213 148 Q C 2.131 178.216 176.000 0.142 0.000 0.998 148 Q CA 2.272 58.133 55.803 0.097 0.000 0.895 148 Q CB -0.633 28.146 28.738 0.069 0.000 0.926 148 Q HN 0.498 nan 8.270 nan 0.000 0.417 149 L N 0.973 122.281 121.223 0.142 0.000 1.988 149 L HA -0.166 4.163 4.340 -0.018 0.000 0.207 149 L C 2.040 179.079 176.870 0.283 0.000 1.071 149 L CA 1.911 56.866 54.840 0.191 0.000 0.744 149 L CB -0.499 41.661 42.059 0.167 0.000 0.893 149 L HN 0.055 nan 8.230 nan 0.000 0.433 150 E N 0.208 120.559 120.200 0.252 0.000 2.110 150 E HA -0.180 4.159 4.350 -0.018 0.000 0.193 150 E C 2.151 178.896 176.600 0.240 0.000 0.988 150 E CA 1.291 57.842 56.400 0.252 0.000 0.804 150 E CB -0.473 29.323 29.700 0.159 0.000 0.745 150 E HN 0.665 nan 8.360 nan 0.000 0.458 151 A N 1.707 124.669 122.820 0.236 0.000 1.858 151 A HA -0.074 4.236 4.320 -0.018 0.000 0.216 151 A C 2.477 180.187 177.584 0.209 0.000 1.190 151 A CA 2.114 54.275 52.037 0.207 0.000 0.617 151 A CB -0.752 18.396 19.000 0.247 0.000 0.827 151 A HN 0.271 nan 8.150 nan 0.000 0.443 152 A N -1.685 121.285 122.820 0.249 0.000 1.940 152 A HA -0.214 4.095 4.320 -0.018 0.000 0.219 152 A C 2.006 179.871 177.584 0.467 0.000 1.176 152 A CA 1.796 54.055 52.037 0.371 0.000 0.631 152 A CB -0.826 18.395 19.000 0.369 0.000 0.814 152 A HN 0.874 nan 8.150 nan 0.000 0.446 153 W N 0.725 122.135 121.300 0.183 0.000 2.388 153 W HA -0.001 4.649 4.660 -0.017 0.000 0.294 153 W C 2.386 178.993 176.519 0.146 0.000 1.212 153 W CA 1.219 58.654 57.345 0.150 0.000 1.271 153 W CB -0.750 28.774 29.460 0.106 0.000 1.126 153 W HN 0.383 nan 8.180 nan 0.000 0.535 154 A N 0.654 123.642 122.820 0.280 0.000 1.877 154 A HA -0.178 4.132 4.320 -0.018 0.000 0.216 154 A C 2.284 179.977 177.584 0.181 0.000 1.186 154 A CA 1.868 53.986 52.037 0.136 0.000 0.620 154 A CB -1.154 17.888 19.000 0.070 0.000 0.822 154 A HN 0.290 nan 8.150 nan 0.000 0.443 155 L N -0.693 120.660 121.223 0.217 0.000 2.127 155 L HA -0.172 4.157 4.340 -0.018 0.000 0.211 155 L C 2.755 179.799 176.870 0.291 0.000 1.089 155 L CA 1.681 56.666 54.840 0.242 0.000 0.757 155 L CB -0.706 41.537 42.059 0.308 0.000 0.899 155 L HN 0.373 nan 8.230 nan 0.000 0.434 156 T N -0.740 114.014 114.554 0.333 0.000 2.737 156 T HA -0.128 4.211 4.350 -0.018 0.000 0.265 156 T C 1.712 176.557 174.700 0.241 0.000 1.038 156 T CA 1.138 63.385 62.100 0.245 0.000 1.144 156 T CB -0.186 68.866 68.868 0.306 0.000 0.866 156 T HN 0.287 nan 8.240 nan 0.000 0.434 157 N N 1.035 119.906 118.700 0.286 0.000 2.272 157 N HA 0.003 4.733 4.740 -0.018 0.000 0.185 157 N C 1.736 177.339 175.510 0.155 0.000 1.014 157 N CA 0.856 54.045 53.050 0.232 0.000 0.870 157 N CB -0.231 38.377 38.487 0.201 0.000 0.975 157 N HN 0.442 nan 8.380 nan 0.000 0.433 158 I N 0.311 120.963 120.570 0.136 0.000 2.339 158 I HA -0.086 4.074 4.170 -0.018 0.000 0.245 158 I C 2.129 178.296 176.117 0.084 0.000 1.096 158 I CA 0.501 61.860 61.300 0.098 0.000 1.408 158 I CB -0.244 37.806 38.000 0.082 0.000 1.092 158 I HN -0.009 nan 8.210 nan 0.000 0.423 159 A N 0.319 123.191 122.820 0.087 0.000 2.070 159 A HA -0.164 4.146 4.320 -0.018 0.000 0.220 159 A C 2.129 179.713 177.584 -0.001 0.000 1.159 159 A CA 1.775 53.837 52.037 0.042 0.000 0.656 159 A CB -0.534 18.474 19.000 0.014 0.000 0.800 159 A HN 0.491 nan 8.150 nan 0.000 0.453 160 S N -1.053 114.659 115.700 0.020 0.000 2.583 160 S HA 0.465 4.924 4.470 -0.018 0.000 0.239 160 S C 0.946 175.580 174.600 0.057 0.000 0.966 160 S CA 0.299 58.498 58.200 -0.002 0.000 0.973 160 S CB -0.281 62.954 63.200 0.059 0.000 0.794 160 S HN 0.554 nan 8.310 nan 0.000 0.463 161 G N 1.652 110.486 108.800 0.057 0.000 3.182 161 G HA2 0.467 4.416 3.960 -0.018 0.000 0.167 161 G HA3 0.467 4.416 3.960 -0.018 0.000 0.167 161 G C 0.213 175.141 174.900 0.047 0.000 1.537 161 G CA 0.149 45.285 45.100 0.060 0.000 1.046 161 G HN 0.585 nan 8.290 nan 0.000 0.580 162 T N -2.219 112.361 114.554 0.043 0.000 2.849 162 T HA 0.313 4.653 4.350 -0.018 0.000 0.284 162 T C 1.617 176.338 174.700 0.035 0.000 1.004 162 T CA 0.665 62.784 62.100 0.033 0.000 1.021 162 T CB 1.396 70.280 68.868 0.027 0.000 1.013 162 T HN 0.455 nan 8.240 nan 0.000 0.527 163 S N 0.875 116.588 115.700 0.021 0.000 2.387 163 S HA -0.179 4.280 4.470 -0.018 0.000 0.230 163 S C 2.248 176.873 174.600 0.043 0.000 1.035 163 S CA 1.517 59.729 58.200 0.020 0.000 1.014 163 S CB -1.167 62.019 63.200 -0.023 0.000 0.836 163 S HN 0.935 nan 8.310 nan 0.000 0.466 164 A N 0.340 123.178 122.820 0.031 0.000 1.968 164 A HA -0.010 4.299 4.320 -0.018 0.000 0.217 164 A C 2.081 179.694 177.584 0.049 0.000 1.169 164 A CA 1.271 53.330 52.037 0.036 0.000 0.638 164 A CB -0.520 18.492 19.000 0.021 0.000 0.812 164 A HN 0.722 nan 8.150 nan 0.000 0.446 165 Q N -1.006 118.823 119.800 0.048 0.000 2.172 165 Q HA -0.065 4.264 4.340 -0.018 0.000 0.200 165 Q C 1.938 177.975 176.000 0.061 0.000 0.964 165 Q CA 1.626 57.459 55.803 0.049 0.000 0.855 165 Q CB -0.249 28.517 28.738 0.047 0.000 0.918 165 Q HN 0.588 nan 8.270 nan 0.000 0.444 166 T N 1.129 115.731 114.554 0.080 0.000 2.857 166 T HA -0.137 4.202 4.350 -0.018 0.000 0.266 166 T C 1.673 176.443 174.700 0.117 0.000 1.048 166 T CA 1.260 63.420 62.100 0.100 0.000 1.139 166 T CB -0.067 68.884 68.868 0.139 0.000 0.874 166 T HN 0.245 nan 8.240 nan 0.000 0.455 167 K N 1.039 121.542 120.400 0.172 0.000 2.147 167 K HA -0.072 4.238 4.320 -0.018 0.000 0.205 167 K C 2.064 178.697 176.600 0.055 0.000 1.049 167 K CA 0.960 57.356 56.287 0.181 0.000 0.936 167 K CB -0.242 32.366 32.500 0.180 0.000 0.722 167 K HN 0.136 nan 8.250 nan 0.000 0.446 168 V N 0.714 120.653 119.914 0.042 0.000 2.358 168 V HA -0.215 3.894 4.120 -0.018 0.000 0.246 168 V C 2.293 178.386 176.094 -0.002 0.000 1.047 168 V CA 1.516 63.823 62.300 0.012 0.000 1.035 168 V CB -0.148 31.681 31.823 0.010 0.000 0.658 168 V HN 0.181 nan 8.190 nan 0.000 0.452 169 V N -0.343 119.580 119.914 0.016 0.000 2.490 169 V HA -0.203 3.907 4.120 -0.018 0.000 0.250 169 V C 2.347 178.444 176.094 0.005 0.000 1.061 169 V CA 1.777 64.097 62.300 0.033 0.000 1.064 169 V CB -0.296 31.586 31.823 0.098 0.000 0.670 169 V HN 0.418 nan 8.190 nan 0.000 0.461 170 V N -0.248 119.628 119.914 -0.064 0.000 2.488 170 V HA -0.145 3.964 4.120 -0.018 0.000 0.246 170 V C 2.132 178.145 176.094 -0.136 0.000 1.046 170 V CA 1.756 63.963 62.300 -0.155 0.000 1.053 170 V CB -0.505 31.018 31.823 -0.500 0.000 0.679 170 V HN 0.525 nan 8.190 nan 0.000 0.458 171 D N 0.789 121.129 120.400 -0.100 0.000 2.264 171 D HA -0.037 4.592 4.640 -0.018 0.000 0.208 171 D C 1.983 178.250 176.300 -0.056 0.000 0.966 171 D CA 1.305 55.258 54.000 -0.078 0.000 0.864 171 D CB -0.109 40.664 40.800 -0.045 0.000 0.933 171 D HN 0.442 nan 8.370 nan 0.000 0.499 172 A N 0.487 123.278 122.820 -0.047 0.000 2.239 172 A HA -0.056 4.254 4.320 -0.018 0.000 0.209 172 A C 0.515 178.075 177.584 -0.040 0.000 1.171 172 A CA 0.538 52.547 52.037 -0.047 0.000 0.768 172 A CB -0.335 18.631 19.000 -0.056 0.000 0.790 172 A HN 0.110 nan 8.150 nan 0.000 0.478 173 D N -2.982 117.405 120.400 -0.021 0.000 2.723 173 D HA -0.213 4.417 4.640 -0.018 0.000 0.236 173 D C 0.889 177.187 176.300 -0.003 0.000 1.138 173 D CA 0.901 54.911 54.000 0.018 0.000 0.676 173 D CB -1.119 39.691 40.800 0.016 0.000 1.069 173 D HN 0.512 nan 8.370 nan 0.000 0.430 174 A N -1.038 121.770 122.820 -0.019 0.000 2.067 174 A HA 0.089 4.398 4.320 -0.018 0.000 0.217 174 A C 2.323 179.868 177.584 -0.065 0.000 1.156 174 A CA 1.036 52.992 52.037 -0.134 0.000 0.683 174 A CB 0.085 18.994 19.000 -0.151 0.000 0.808 174 A HN 0.314 nan 8.150 nan 0.000 0.455 175 V N 1.254 121.257 119.914 0.147 0.000 2.295 175 V HA -0.130 3.980 4.120 -0.018 0.000 0.246 175 V C -0.331 175.828 176.094 0.108 0.000 1.049 175 V CA 2.455 64.891 62.300 0.227 0.000 1.024 175 V CB -1.181 30.741 31.823 0.165 0.000 0.648 175 V HN 0.424 nan 8.190 nan 0.000 0.447 176 P HA -0.129 nan 4.420 nan 0.000 0.221 176 P C 1.665 178.982 177.300 0.029 0.000 1.145 176 P CA 1.463 64.573 63.100 0.018 0.000 0.795 176 P CB -0.034 31.672 31.700 0.010 0.000 0.775 177 L N -2.989 118.221 121.223 -0.021 0.000 2.249 177 L HA 0.064 4.394 4.340 -0.018 0.000 0.207 177 L C 2.568 179.431 176.870 -0.012 0.000 1.090 177 L CA 0.697 55.505 54.840 -0.053 0.000 0.802 177 L CB -0.843 41.130 42.059 -0.143 0.000 0.947 177 L HN -0.150 nan 8.230 nan 0.000 0.453 178 F N 0.542 120.515 119.950 0.038 0.000 2.171 178 F HA -0.219 4.297 4.527 -0.017 0.000 0.300 178 F C 2.373 178.191 175.800 0.030 0.000 1.090 178 F CA 1.063 59.085 58.000 0.037 0.000 1.293 178 F CB -0.041 38.976 39.000 0.027 0.000 1.013 178 F HN -0.034 nan 8.300 nan 0.000 0.486 179 I N 0.169 120.866 120.570 0.212 0.000 2.193 179 I HA -0.299 3.861 4.170 -0.018 0.000 0.240 179 I C 2.608 178.820 176.117 0.159 0.000 1.084 179 I CA 1.464 62.841 61.300 0.127 0.000 1.365 179 I CB -0.578 37.471 38.000 0.083 0.000 1.064 179 I HN 0.200 nan 8.210 nan 0.000 0.410 180 Q N 0.980 120.894 119.800 0.190 0.000 2.291 180 Q HA -0.150 4.179 4.340 -0.018 0.000 0.205 180 Q C 2.042 178.182 176.000 0.233 0.000 0.970 180 Q CA 1.299 57.265 55.803 0.272 0.000 0.876 180 Q CB -0.400 28.425 28.738 0.145 0.000 0.935 180 Q HN 0.509 nan 8.270 nan 0.000 0.455 181 L N 0.462 121.783 121.223 0.163 0.000 2.362 181 L HA -0.070 4.260 4.340 -0.018 0.000 0.219 181 L C 2.039 178.981 176.870 0.120 0.000 1.134 181 L CA 0.491 55.416 54.840 0.140 0.000 0.807 181 L CB -0.142 42.006 42.059 0.148 0.000 0.927 181 L HN 0.312 nan 8.230 nan 0.000 0.447 182 L N -2.210 119.065 121.223 0.086 0.000 2.313 182 L HA -0.150 4.180 4.340 -0.018 0.000 0.214 182 L C 2.086 178.928 176.870 -0.047 0.000 1.119 182 L CA 0.891 55.719 54.840 -0.021 0.000 0.809 182 L CB -0.304 41.684 42.059 -0.119 0.000 0.933 182 L HN 0.195 nan 8.230 nan 0.000 0.449 183 Y N -0.176 120.140 120.300 0.026 0.000 2.163 183 Y HA -0.194 4.346 4.550 -0.017 0.000 0.288 183 Y C 3.103 179.013 175.900 0.016 0.000 1.112 183 Y CA 1.721 59.832 58.100 0.018 0.000 1.104 183 Y CB -0.537 37.933 38.460 0.017 0.000 1.016 183 Y HN 0.174 nan 8.280 nan 0.000 0.497 184 T N -1.431 113.253 114.554 0.215 0.000 2.732 184 T HA 0.071 4.411 4.350 -0.018 0.000 0.261 184 T C 1.499 176.247 174.700 0.081 0.000 1.040 184 T CA 0.559 62.729 62.100 0.116 0.000 1.145 184 T CB -1.248 67.670 68.868 0.083 0.000 0.866 184 T HN 0.255 nan 8.240 nan 0.000 0.427 185 G N 1.842 110.690 108.800 0.080 0.000 2.771 185 G HA2 0.351 4.301 3.960 -0.018 0.000 0.242 185 G HA3 0.351 4.301 3.960 -0.018 0.000 0.242 185 G C 0.399 175.322 174.900 0.038 0.000 1.233 185 G CA 0.041 45.175 45.100 0.058 0.000 0.858 185 G HN 0.898 nan 8.290 nan 0.000 0.591 186 S N -1.014 114.703 115.700 0.028 0.000 2.625 186 S HA 0.127 4.587 4.470 -0.018 0.000 0.258 186 S C 1.550 176.148 174.600 -0.003 0.000 1.256 186 S CA -0.001 58.206 58.200 0.012 0.000 0.983 186 S CB 0.869 64.075 63.200 0.010 0.000 1.032 186 S HN 0.424 nan 8.310 nan 0.000 0.572 187 V N 1.404 121.306 119.914 -0.019 0.000 2.379 187 V HA -0.076 4.033 4.120 -0.018 0.000 0.245 187 V C 2.611 178.669 176.094 -0.060 0.000 1.044 187 V CA 2.115 64.391 62.300 -0.041 0.000 1.036 187 V CB -1.426 30.369 31.823 -0.046 0.000 0.664 187 V HN 0.808 nan 8.190 nan 0.000 0.453 188 E N 0.353 120.516 120.200 -0.060 0.000 2.110 188 E HA -0.158 4.181 4.350 -0.018 0.000 0.193 188 E C 2.094 178.641 176.600 -0.089 0.000 0.988 188 E CA 1.238 57.578 56.400 -0.100 0.000 0.804 188 E CB -0.532 29.114 29.700 -0.089 0.000 0.745 188 E HN 0.429 nan 8.360 nan 0.000 0.458 189 V N 0.970 120.869 119.914 -0.024 0.000 2.427 189 V HA -0.215 3.894 4.120 -0.018 0.000 0.248 189 V C 1.977 178.088 176.094 0.029 0.000 1.051 189 V CA 1.606 63.922 62.300 0.027 0.000 1.048 189 V CB -0.350 31.509 31.823 0.059 0.000 0.666 189 V HN 0.184 nan 8.190 nan 0.000 0.456 190 K N -0.075 120.324 120.400 -0.002 0.000 2.097 190 K HA -0.186 4.123 4.320 -0.018 0.000 0.205 190 K C 2.223 178.804 176.600 -0.031 0.000 1.050 190 K CA 1.487 57.768 56.287 -0.011 0.000 0.938 190 K CB -0.093 32.385 32.500 -0.036 0.000 0.718 190 K HN 0.486 nan 8.250 nan 0.000 0.442 191 E N 0.379 120.538 120.200 -0.067 0.000 2.204 191 E HA -0.171 4.169 4.350 -0.018 0.000 0.194 191 E C 1.968 178.527 176.600 -0.068 0.000 0.989 191 E CA 0.797 57.142 56.400 -0.092 0.000 0.824 191 E CB 0.341 29.946 29.700 -0.158 0.000 0.756 191 E HN 0.201 nan 8.360 nan 0.000 0.477 192 Q N -0.256 119.504 119.800 -0.066 0.000 2.033 192 Q HA -0.046 4.283 4.340 -0.018 0.000 0.196 192 Q C 2.190 178.204 176.000 0.023 0.000 0.970 192 Q CA 1.264 57.057 55.803 -0.016 0.000 0.828 192 Q CB -0.360 28.384 28.738 0.009 0.000 0.895 192 Q HN 0.304 nan 8.270 nan 0.000 0.440 193 A N 0.862 123.709 122.820 0.045 0.000 1.972 193 A HA -0.171 4.138 4.320 -0.018 0.000 0.219 193 A C 2.075 179.595 177.584 -0.107 0.000 1.169 193 A CA 1.262 53.280 52.037 -0.033 0.000 0.635 193 A CB -0.535 18.585 19.000 0.200 0.000 0.810 193 A HN 0.320 nan 8.150 nan 0.000 0.446 194 I N -1.385 119.184 120.570 -0.001 0.000 2.353 194 I HA -0.159 4.001 4.170 -0.018 0.000 0.248 194 I C 2.172 178.364 176.117 0.126 0.000 1.119 194 I CA 0.910 62.232 61.300 0.037 0.000 1.417 194 I CB -0.376 37.645 38.000 0.034 0.000 1.078 194 I HN 0.659 nan 8.210 nan 0.000 0.421 195 W N 1.072 122.324 121.300 -0.080 0.000 2.388 195 W HA -0.201 4.448 4.660 -0.018 0.000 0.294 195 W C 2.167 178.657 176.519 -0.048 0.000 1.212 195 W CA 1.321 58.642 57.345 -0.039 0.000 1.271 195 W CB -0.071 29.311 29.460 -0.131 0.000 1.126 195 W HN 0.264 nan 8.180 nan 0.000 0.535 196 A N 0.987 123.679 122.820 -0.214 0.000 1.877 196 A HA -0.182 4.127 4.320 -0.018 0.000 0.216 196 A C 2.065 179.409 177.584 -0.399 0.000 1.186 196 A CA 1.585 53.331 52.037 -0.485 0.000 0.620 196 A CB -1.161 17.192 19.000 -1.079 0.000 0.822 196 A HN 0.350 nan 8.150 nan 0.000 0.443 197 L N -0.721 120.312 121.223 -0.316 0.000 2.291 197 L HA -0.046 4.283 4.340 -0.018 0.000 0.214 197 L C 2.667 179.472 176.870 -0.108 0.000 1.120 197 L CA 0.668 55.405 54.840 -0.172 0.000 0.799 197 L CB -0.457 41.544 42.059 -0.096 0.000 0.925 197 L HN 0.504 nan 8.230 nan 0.000 0.446 198 G N -0.491 108.266 108.800 -0.072 0.000 2.394 198 G HA2 -0.214 3.736 3.960 -0.018 0.000 0.215 198 G HA3 -0.214 3.736 3.960 -0.018 0.000 0.215 198 G C 1.417 176.221 174.900 -0.161 0.000 1.165 198 G CA 0.273 45.333 45.100 -0.067 0.000 0.784 198 G HN 0.277 nan 8.290 nan 0.000 0.535 199 N N 0.315 118.911 118.700 -0.173 0.000 2.188 199 N HA -0.085 4.644 4.740 -0.018 0.000 0.184 199 N C 2.348 177.806 175.510 -0.088 0.000 1.018 199 N CA 1.028 53.971 53.050 -0.178 0.000 0.858 199 N CB -0.032 38.233 38.487 -0.369 0.000 0.989 199 N HN 0.155 nan 8.380 nan 0.000 0.426 200 V N 1.759 121.625 119.914 -0.080 0.000 2.307 200 V HA -0.177 3.933 4.120 -0.018 0.000 0.245 200 V C 2.455 178.596 176.094 0.078 0.000 1.045 200 V CA 1.817 64.128 62.300 0.019 0.000 1.024 200 V CB -0.812 30.993 31.823 -0.030 0.000 0.651 200 V HN 0.266 nan 8.190 nan 0.000 0.449 201 A N 0.298 123.111 122.820 -0.013 0.000 2.019 201 A HA -0.067 4.243 4.320 -0.018 0.000 0.219 201 A C 2.253 179.801 177.584 -0.060 0.000 1.164 201 A CA 1.766 53.794 52.037 -0.015 0.000 0.644 201 A CB -0.894 18.059 19.000 -0.078 0.000 0.805 201 A HN 0.566 nan 8.150 nan 0.000 0.449 202 G N -0.894 107.829 108.800 -0.129 0.000 2.813 202 G HA2 -0.034 3.916 3.960 -0.018 0.000 0.209 202 G HA3 -0.034 3.916 3.960 -0.018 0.000 0.209 202 G C 1.050 175.891 174.900 -0.098 0.000 1.150 202 G CA 1.023 46.018 45.100 -0.175 0.000 0.785 202 G HN 0.568 nan 8.290 nan 0.000 0.535 203 D N 0.259 120.646 120.400 -0.022 0.000 2.144 203 D HA -0.006 4.623 4.640 -0.018 0.000 0.200 203 D C 1.448 177.671 176.300 -0.128 0.000 0.978 203 D CA 1.447 55.424 54.000 -0.039 0.000 0.833 203 D CB 0.200 41.030 40.800 0.050 0.000 0.961 203 D HN 0.380 nan 8.370 nan 0.000 0.470 204 S N -3.421 112.200 115.700 -0.131 0.000 2.636 204 S HA 0.222 4.682 4.470 -0.018 0.000 0.266 204 S C 0.881 175.419 174.600 -0.103 0.000 1.147 204 S CA -0.049 58.052 58.200 -0.165 0.000 0.815 204 S CB 0.655 63.682 63.200 -0.288 0.000 1.119 204 S HN 0.068 nan 8.310 nan 0.000 0.470 205 T N -1.513 112.983 114.554 -0.097 0.000 2.915 205 T HA 0.011 4.350 4.350 -0.018 0.000 0.269 205 T C 0.843 175.540 174.700 -0.006 0.000 1.071 205 T CA 1.864 63.931 62.100 -0.054 0.000 1.132 205 T CB -0.928 67.908 68.868 -0.054 0.000 0.878 205 T HN 0.577 nan 8.240 nan 0.000 0.479 206 D N 0.291 120.680 120.400 -0.019 0.000 2.149 206 D HA 0.034 4.663 4.640 -0.018 0.000 0.201 206 D C 1.743 178.182 176.300 0.233 0.000 0.972 206 D CA 0.972 55.009 54.000 0.061 0.000 0.835 206 D CB -0.364 40.439 40.800 0.005 0.000 0.966 206 D HN 0.552 nan 8.370 nan 0.000 0.476 207 Y N 0.396 120.712 120.300 0.026 0.000 2.293 207 Y HA -0.111 4.428 4.550 -0.018 0.000 0.291 207 Y C 2.591 178.545 175.900 0.090 0.000 1.137 207 Y CA 0.291 58.439 58.100 0.080 0.000 1.202 207 Y CB 0.105 38.586 38.460 0.036 0.000 0.990 207 Y HN -0.094 nan 8.280 nan 0.000 0.537 208 R N 0.969 121.575 120.500 0.176 0.000 2.073 208 R HA -0.178 4.152 4.340 -0.018 0.000 0.234 208 R C 1.369 177.717 176.300 0.080 0.000 1.134 208 R CA 2.100 58.246 56.100 0.075 0.000 0.952 208 R CB -0.276 30.027 30.300 0.006 0.000 0.850 208 R HN 0.266 nan 8.270 nan 0.000 0.433 209 D N -0.307 120.153 120.400 0.100 0.000 2.144 209 D HA -0.186 4.444 4.640 -0.018 0.000 0.199 209 D C 1.636 178.010 176.300 0.123 0.000 0.984 209 D CA 1.014 55.069 54.000 0.091 0.000 0.834 209 D CB -0.434 40.420 40.800 0.089 0.000 0.955 209 D HN 0.303 nan 8.370 nan 0.000 0.465 210 Y N 1.828 122.159 120.300 0.052 0.000 2.145 210 Y HA -0.223 4.316 4.550 -0.018 0.000 0.286 210 Y C 2.191 178.100 175.900 0.015 0.000 1.145 210 Y CA 1.079 59.201 58.100 0.036 0.000 1.148 210 Y CB -0.473 38.012 38.460 0.042 0.000 0.981 210 Y HN -0.213 nan 8.280 nan 0.000 0.507 211 V N 0.604 120.443 119.914 -0.125 0.000 2.407 211 V HA -0.325 3.784 4.120 -0.018 0.000 0.248 211 V C 2.493 178.489 176.094 -0.164 0.000 1.055 211 V CA 2.062 64.233 62.300 -0.215 0.000 1.049 211 V CB -0.751 31.029 31.823 -0.072 0.000 0.662 211 V HN 0.458 nan 8.190 nan 0.000 0.455 212 L N -0.920 120.253 121.223 -0.083 0.000 2.072 212 L HA -0.205 4.124 4.340 -0.018 0.000 0.205 212 L C 2.617 179.450 176.870 -0.062 0.000 1.079 212 L CA 1.464 56.270 54.840 -0.057 0.000 0.752 212 L CB -0.545 41.501 42.059 -0.022 0.000 0.906 212 L HN 0.309 nan 8.230 nan 0.000 0.436 213 Q N -0.810 118.953 119.800 -0.061 0.000 2.124 213 Q HA -0.186 4.144 4.340 -0.018 0.000 0.202 213 Q C 1.979 177.926 176.000 -0.089 0.000 0.977 213 Q CA 1.423 57.200 55.803 -0.045 0.000 0.850 213 Q CB -0.175 28.567 28.738 0.008 0.000 0.901 213 Q HN 0.516 nan 8.270 nan 0.000 0.429 214 C N 1.799 120.981 119.300 -0.197 0.000 2.460 214 C HA 0.067 4.517 4.460 -0.018 0.000 0.322 214 C C -0.084 174.850 174.990 -0.094 0.000 1.333 214 C CA -0.511 58.395 59.018 -0.187 0.000 1.631 214 C CB -1.967 25.568 27.740 -0.341 0.000 1.672 214 C HN 0.512 nan 8.230 nan 0.000 0.596 215 N N 0.086 118.750 118.700 -0.061 0.000 2.714 215 N HA -0.215 4.515 4.740 -0.018 0.000 0.252 215 N C 0.753 176.257 175.510 -0.010 0.000 1.014 215 N CA 0.965 54.003 53.050 -0.020 0.000 0.735 215 N CB -1.022 37.472 38.487 0.012 0.000 0.924 215 N HN 0.713 nan 8.380 nan 0.000 0.540 216 A N -0.491 122.305 122.820 -0.040 0.000 2.067 216 A HA 0.004 4.314 4.320 -0.018 0.000 0.217 216 A C 2.207 179.766 177.584 -0.041 0.000 1.156 216 A CA 1.194 53.207 52.037 -0.040 0.000 0.683 216 A CB -0.071 18.901 19.000 -0.048 0.000 0.808 216 A HN 0.291 nan 8.150 nan 0.000 0.455 217 M N 0.432 120.013 119.600 -0.032 0.000 2.108 217 M HA -0.142 4.328 4.480 -0.018 0.000 0.261 217 M C 1.773 178.058 176.300 -0.026 0.000 1.066 217 M CA 2.062 57.345 55.300 -0.027 0.000 1.107 217 M CB -0.622 31.955 32.600 -0.038 0.000 1.356 217 M HN 0.591 nan 8.290 nan 0.000 0.406 218 E N -0.230 119.956 120.200 -0.023 0.000 2.012 218 E HA -0.194 4.146 4.350 -0.018 0.000 0.197 218 E C -0.849 175.698 176.600 -0.089 0.000 1.007 218 E CA 1.851 58.241 56.400 -0.016 0.000 0.816 218 E CB -1.000 28.728 29.700 0.047 0.000 0.762 218 E HN 0.362 nan 8.360 nan 0.000 0.451 219 P HA -0.127 nan 4.420 nan 0.000 0.220 219 P C 1.505 178.671 177.300 -0.224 0.000 1.148 219 P CA 1.173 63.990 63.100 -0.472 0.000 0.803 219 P CB -0.131 31.082 31.700 -0.812 0.000 0.782 220 I N -0.687 119.824 120.570 -0.099 0.000 2.252 220 I HA -0.205 3.954 4.170 -0.018 0.000 0.245 220 I C 2.568 178.772 176.117 0.144 0.000 1.102 220 I CA 1.179 62.484 61.300 0.008 0.000 1.385 220 I CB -0.603 37.433 38.000 0.059 0.000 1.064 220 I HN -0.159 nan 8.210 nan 0.000 0.414 221 L N 0.274 121.584 121.223 0.145 0.000 2.083 221 L HA -0.127 4.203 4.340 -0.018 0.000 0.209 221 L C 2.685 179.698 176.870 0.238 0.000 1.083 221 L CA 1.398 56.380 54.840 0.237 0.000 0.752 221 L CB -1.204 40.894 42.059 0.065 0.000 0.899 221 L HN 0.330 nan 8.230 nan 0.000 0.433 222 G N 0.563 109.409 108.800 0.077 0.000 2.469 222 G HA2 -0.251 3.698 3.960 -0.018 0.000 0.220 222 G HA3 -0.251 3.698 3.960 -0.018 0.000 0.220 222 G C 1.579 176.489 174.900 0.017 0.000 1.136 222 G CA 0.677 45.795 45.100 0.031 0.000 0.759 222 G HN 0.303 nan 8.290 nan 0.000 0.562 223 L N -0.650 120.545 121.223 -0.047 0.000 2.353 223 L HA 0.061 4.390 4.340 -0.018 0.000 0.220 223 L C 1.850 178.567 176.870 -0.255 0.000 1.133 223 L CA 0.270 55.002 54.840 -0.180 0.000 0.798 223 L CB -0.343 41.524 42.059 -0.319 0.000 0.922 223 L HN 0.104 nan 8.230 nan 0.000 0.445 224 F N -0.094 119.850 119.950 -0.009 0.000 2.795 224 F HA -0.021 4.497 4.527 -0.016 0.000 0.303 224 F C 1.529 177.330 175.800 0.002 0.000 1.186 224 F CA 0.471 58.472 58.000 0.002 0.000 1.415 224 F CB -0.867 38.136 39.000 0.006 0.000 1.106 224 F HN 0.152 nan 8.300 nan 0.000 0.558 225 N N -1.181 117.568 118.700 0.081 0.000 2.282 225 N HA -0.086 4.644 4.740 -0.018 0.000 0.185 225 N C 2.008 177.528 175.510 0.017 0.000 1.099 225 N CA 0.571 53.654 53.050 0.054 0.000 0.878 225 N CB 0.104 38.617 38.487 0.044 0.000 0.993 225 N HN 0.114 nan 8.380 nan 0.000 0.481 226 S N 1.090 116.778 115.700 -0.020 0.000 2.419 226 S HA -0.227 4.233 4.470 -0.018 0.000 0.233 226 S C 1.007 175.595 174.600 -0.020 0.000 1.016 226 S CA 0.796 58.976 58.200 -0.034 0.000 0.974 226 S CB -0.435 62.721 63.200 -0.073 0.000 0.786 226 S HN 0.474 nan 8.310 nan 0.000 0.492 227 N N 0.056 118.753 118.700 -0.005 0.000 2.714 227 N HA -0.215 4.514 4.740 -0.018 0.000 0.250 227 N C -0.715 174.787 175.510 -0.012 0.000 1.117 227 N CA 0.795 53.846 53.050 0.002 0.000 0.719 227 N CB -0.673 37.817 38.487 0.006 0.000 1.081 227 N HN 0.443 nan 8.380 nan 0.000 0.557 228 K N 0.673 121.056 120.400 -0.029 0.000 2.389 228 K HA 0.421 4.731 4.320 -0.018 0.000 0.261 228 K C -1.960 174.614 176.600 -0.043 0.000 1.014 228 K CA -2.288 53.974 56.287 -0.040 0.000 0.920 228 K CB 1.458 33.924 32.500 -0.056 0.000 1.149 228 K HN -0.164 nan 8.250 nan 0.000 0.444 229 P HA -0.208 nan 4.420 nan 0.000 0.216 229 P C 0.856 178.133 177.300 -0.038 0.000 1.153 229 P CA 1.401 64.489 63.100 -0.020 0.000 0.858 229 P CB 0.233 31.925 31.700 -0.014 0.000 0.789 230 S N -1.039 114.623 115.700 -0.063 0.000 2.402 230 S HA -0.136 4.324 4.470 -0.018 0.000 0.229 230 S C 1.874 176.413 174.600 -0.102 0.000 1.021 230 S CA 0.994 59.139 58.200 -0.091 0.000 0.974 230 S CB -1.424 61.705 63.200 -0.118 0.000 0.800 230 S HN 0.009 nan 8.310 nan 0.000 0.484 231 L N 1.191 122.352 121.223 -0.104 0.000 2.131 231 L HA 0.343 4.672 4.340 -0.018 0.000 0.206 231 L C 2.136 178.914 176.870 -0.153 0.000 1.087 231 L CA 1.281 56.044 54.840 -0.127 0.000 0.767 231 L CB -0.572 41.407 42.059 -0.133 0.000 0.917 231 L HN 0.335 nan 8.230 nan 0.000 0.441 232 I N -0.607 119.884 120.570 -0.133 0.000 2.252 232 I HA -0.262 3.898 4.170 -0.018 0.000 0.245 232 I C 2.719 178.842 176.117 0.010 0.000 1.102 232 I CA 1.215 62.438 61.300 -0.128 0.000 1.385 232 I CB -0.355 37.647 38.000 0.003 0.000 1.064 232 I HN 0.283 nan 8.210 nan 0.000 0.414 233 R N 0.443 120.955 120.500 0.021 0.000 2.081 233 R HA -0.161 4.168 4.340 -0.018 0.000 0.235 233 R C 2.196 178.567 176.300 0.118 0.000 1.131 233 R CA 2.071 58.213 56.100 0.070 0.000 0.960 233 R CB -0.246 30.060 30.300 0.010 0.000 0.856 233 R HN 0.264 nan 8.270 nan 0.000 0.436 234 T N 0.355 114.942 114.554 0.054 0.000 2.812 234 T HA -0.012 4.328 4.350 -0.018 0.000 0.264 234 T C 1.762 176.612 174.700 0.251 0.000 1.042 234 T CA 1.147 63.329 62.100 0.136 0.000 1.140 234 T CB -0.160 68.720 68.868 0.020 0.000 0.870 234 T HN 0.422 nan 8.240 nan 0.000 0.445 235 A N 1.151 124.023 122.820 0.087 0.000 2.015 235 A HA -0.078 4.231 4.320 -0.018 0.000 0.219 235 A C 2.486 180.260 177.584 0.318 0.000 1.163 235 A CA 1.738 53.810 52.037 0.059 0.000 0.646 235 A CB -1.010 17.730 19.000 -0.432 0.000 0.806 235 A HN 0.443 nan 8.150 nan 0.000 0.448 236 T N -1.869 112.906 114.554 0.369 0.000 2.812 236 T HA -0.144 4.196 4.350 -0.018 0.000 0.264 236 T C 1.445 176.343 174.700 0.331 0.000 1.042 236 T CA 1.264 63.604 62.100 0.401 0.000 1.140 236 T CB -0.291 68.786 68.868 0.348 0.000 0.870 236 T HN 0.729 nan 8.240 nan 0.000 0.445 237 W N 2.031 123.436 121.300 0.175 0.000 2.317 237 W HA -0.220 4.430 4.660 -0.016 0.000 0.318 237 W C 2.372 178.972 176.519 0.136 0.000 1.227 237 W CA 1.861 59.306 57.345 0.167 0.000 1.269 237 W CB -0.874 28.716 29.460 0.217 0.000 1.155 237 W HN 0.103 nan 8.180 nan 0.000 0.484 238 T N 1.323 116.041 114.554 0.273 0.000 2.684 238 T HA -0.271 4.068 4.350 -0.018 0.000 0.267 238 T C 1.676 176.360 174.700 -0.026 0.000 1.036 238 T CA 1.746 63.865 62.100 0.031 0.000 1.148 238 T CB -0.878 68.094 68.868 0.172 0.000 0.863 238 T HN 0.127 nan 8.240 nan 0.000 0.436 239 L N 1.852 123.131 121.223 0.094 0.000 2.042 239 L HA -0.140 4.189 4.340 -0.018 0.000 0.210 239 L C 2.678 179.570 176.870 0.036 0.000 1.076 239 L CA 2.290 57.177 54.840 0.079 0.000 0.749 239 L CB -0.992 41.157 42.059 0.150 0.000 0.893 239 L HN 0.390 nan 8.230 nan 0.000 0.432 240 S N -0.844 114.878 115.700 0.036 0.000 2.370 240 S HA -0.213 4.246 4.470 -0.018 0.000 0.226 240 S C 1.885 176.515 174.600 0.050 0.000 1.033 240 S CA 1.457 59.707 58.200 0.083 0.000 1.011 240 S CB -0.837 62.415 63.200 0.087 0.000 0.852 240 S HN 0.567 nan 8.310 nan 0.000 0.457 241 N N 1.875 120.460 118.700 -0.191 0.000 2.309 241 N HA 0.121 4.850 4.740 -0.018 0.000 0.182 241 N C 1.574 176.993 175.510 -0.152 0.000 1.018 241 N CA 0.993 53.884 53.050 -0.264 0.000 0.876 241 N CB -0.646 37.551 38.487 -0.484 0.000 0.972 241 N HN 0.484 nan 8.380 nan 0.000 0.434 242 L N -0.623 120.549 121.223 -0.086 0.000 2.376 242 L HA -0.062 4.267 4.340 -0.018 0.000 0.219 242 L C 1.597 178.460 176.870 -0.012 0.000 1.133 242 L CA 0.480 55.293 54.840 -0.045 0.000 0.816 242 L CB -0.113 41.929 42.059 -0.027 0.000 0.933 242 L HN 0.189 nan 8.230 nan 0.000 0.449 243 C N -1.400 117.921 119.300 0.036 0.000 2.735 243 C HA 0.088 4.538 4.460 -0.018 0.000 0.271 243 C C 1.676 176.687 174.990 0.034 0.000 1.281 243 C CA -0.620 58.462 59.018 0.106 0.000 1.719 243 C CB -0.610 27.275 27.740 0.241 0.000 2.024 243 C HN 0.332 nan 8.230 nan 0.000 0.566 244 R N 1.267 121.664 120.500 -0.171 0.000 2.643 244 R HA 0.441 4.771 4.340 -0.018 0.000 0.270 244 R C 0.117 176.185 176.300 -0.386 0.000 1.061 244 R CA 1.424 57.106 56.100 -0.696 0.000 1.107 244 R CB 0.005 29.847 30.300 -0.764 0.000 0.999 244 R HN 0.491 nan 8.270 nan 0.000 0.460 245 G N 2.589 111.153 108.800 -0.394 0.000 3.355 245 G HA2 -0.151 3.798 3.960 -0.018 0.000 0.686 245 G HA3 -0.151 3.798 3.960 -0.018 0.000 0.686 245 G C -0.277 174.563 174.900 -0.100 0.000 1.097 245 G CA -0.101 44.876 45.100 -0.205 0.000 0.881 245 G HN 0.708 nan 8.290 nan 0.000 0.550 246 K N 0.425 120.782 120.400 -0.071 0.000 2.370 246 K HA 0.152 4.462 4.320 -0.018 0.000 0.194 246 K C 0.907 177.492 176.600 -0.026 0.000 1.070 246 K CA 0.858 57.129 56.287 -0.028 0.000 0.998 246 K CB 0.003 32.492 32.500 -0.019 0.000 0.911 246 K HN 0.546 nan 8.250 nan 0.000 0.533 247 K N 2.198 122.575 120.400 -0.038 0.000 2.592 247 K HA 0.328 4.638 4.320 -0.018 0.000 0.212 247 K C -2.779 173.800 176.600 -0.034 0.000 1.013 247 K CA -1.486 54.782 56.287 -0.031 0.000 1.034 247 K CB 1.435 33.916 32.500 -0.031 0.000 1.292 247 K HN -0.082 nan 8.250 nan 0.000 0.521 248 P HA 0.189 nan 4.420 nan 0.000 0.280 248 P C -0.514 176.783 177.300 -0.005 0.000 1.272 248 P CA -0.598 62.496 63.100 -0.010 0.000 0.819 248 P CB 0.861 32.561 31.700 0.000 0.000 1.122 249 Q N 0.718 120.525 119.800 0.011 0.000 2.394 249 Q HA 0.227 4.556 4.340 -0.018 0.000 0.248 249 Q C -1.845 174.186 176.000 0.052 0.000 0.992 249 Q CA -1.117 54.707 55.803 0.034 0.000 0.888 249 Q CB -0.208 28.562 28.738 0.053 0.000 1.257 249 Q HN 0.419 nan 8.270 nan 0.000 0.462 250 P HA -0.031 nan 4.420 nan 0.000 0.274 250 P C -0.434 176.935 177.300 0.116 0.000 1.246 250 P CA -0.369 62.773 63.100 0.070 0.000 0.795 250 P CB 0.418 32.152 31.700 0.056 0.000 1.006 251 D N 1.052 121.506 120.400 0.090 0.000 2.426 251 D HA -0.118 4.512 4.640 -0.018 0.000 0.261 251 D C 1.109 177.490 176.300 0.136 0.000 1.245 251 D CA 0.015 54.077 54.000 0.104 0.000 0.917 251 D CB -0.115 40.717 40.800 0.053 0.000 1.123 251 D HN 0.417 nan 8.370 nan 0.000 0.508 252 W N 3.868 125.172 121.300 0.008 0.000 2.374 252 W HA -0.232 4.427 4.660 -0.002 0.000 0.288 252 W C 1.551 178.075 176.519 0.008 0.000 1.218 252 W CA 1.420 58.770 57.345 0.010 0.000 1.245 252 W CB -0.175 29.291 29.460 0.010 0.000 1.126 252 W HN 0.543 nan 8.180 nan 0.000 0.545 253 S N 0.138 115.806 115.700 -0.054 0.000 2.447 253 S HA -0.156 4.303 4.470 -0.018 0.000 0.233 253 S C 1.627 176.103 174.600 -0.206 0.000 1.006 253 S CA 1.414 59.527 58.200 -0.146 0.000 0.957 253 S CB -0.632 62.569 63.200 0.002 0.000 0.773 253 S HN 0.081 nan 8.310 nan 0.000 0.507 254 V N 1.973 121.790 119.914 -0.162 0.000 2.426 254 V HA -0.019 4.090 4.120 -0.018 0.000 0.242 254 V C 2.737 178.703 176.094 -0.213 0.000 1.036 254 V CA 1.166 63.378 62.300 -0.146 0.000 1.044 254 V CB -0.383 31.396 31.823 -0.073 0.000 0.688 254 V HN 0.585 nan 8.190 nan 0.000 0.462 255 V N -0.085 119.687 119.914 -0.236 0.000 2.667 255 V HA -0.110 4.000 4.120 -0.018 0.000 0.252 255 V C 2.462 178.321 176.094 -0.393 0.000 1.065 255 V CA 1.827 63.994 62.300 -0.221 0.000 1.083 255 V CB -1.088 30.681 31.823 -0.090 0.000 0.692 255 V HN 0.612 nan 8.190 nan 0.000 0.468 256 S N 0.414 115.639 115.700 -0.792 0.000 2.469 256 S HA -0.240 4.219 4.470 -0.018 0.000 0.238 256 S C 1.835 176.162 174.600 -0.455 0.000 0.998 256 S CA 1.491 59.118 58.200 -0.955 0.000 0.957 256 S CB -0.791 61.398 63.200 -1.684 0.000 0.764 256 S HN 0.759 nan 8.310 nan 0.000 0.514 257 Q N 0.526 120.126 119.800 -0.334 0.000 2.500 257 Q HA 0.196 4.525 4.340 -0.018 0.000 0.213 257 Q C 2.034 177.938 176.000 -0.160 0.000 0.974 257 Q CA 0.912 56.596 55.803 -0.198 0.000 0.918 257 Q CB -0.309 28.340 28.738 -0.148 0.000 0.980 257 Q HN 0.827 nan 8.270 nan 0.000 0.505 258 A N 0.051 122.765 122.820 -0.177 0.000 2.195 258 A HA 0.086 4.395 4.320 -0.018 0.000 0.210 258 A C 1.805 179.302 177.584 -0.144 0.000 1.165 258 A CA -0.079 51.865 52.037 -0.155 0.000 0.806 258 A CB -0.068 18.851 19.000 -0.135 0.000 0.847 258 A HN 0.249 nan 8.150 nan 0.000 0.482 259 L N -0.022 121.127 121.223 -0.124 0.000 2.013 259 L HA -0.170 4.159 4.340 -0.018 0.000 0.212 259 L C -0.474 176.357 176.870 -0.066 0.000 1.073 259 L CA 1.847 56.642 54.840 -0.074 0.000 0.753 259 L CB -1.457 40.575 42.059 -0.044 0.000 0.890 259 L HN 0.232 nan 8.230 nan 0.000 0.432 260 P HA -0.138 nan 4.420 nan 0.000 0.215 260 P C 1.601 178.855 177.300 -0.076 0.000 1.153 260 P CA 1.498 64.565 63.100 -0.055 0.000 0.853 260 P CB -0.082 31.587 31.700 -0.052 0.000 0.788 261 T N -0.183 114.288 114.554 -0.137 0.000 2.701 261 T HA -0.084 4.256 4.350 -0.018 0.000 0.263 261 T C 1.784 176.363 174.700 -0.200 0.000 1.040 261 T CA 1.126 63.092 62.100 -0.223 0.000 1.147 261 T CB -1.034 67.567 68.868 -0.445 0.000 0.865 261 T HN 0.040 nan 8.240 nan 0.000 0.426 262 L N 0.965 122.080 121.223 -0.181 0.000 2.127 262 L HA -0.107 4.223 4.340 -0.018 0.000 0.211 262 L C 2.982 179.827 176.870 -0.042 0.000 1.089 262 L CA 1.085 55.856 54.840 -0.114 0.000 0.757 262 L CB -0.673 41.336 42.059 -0.083 0.000 0.899 262 L HN 0.243 nan 8.230 nan 0.000 0.434 263 A N 0.116 122.925 122.820 -0.018 0.000 1.978 263 A HA -0.229 4.080 4.320 -0.018 0.000 0.220 263 A C 2.333 179.999 177.584 0.136 0.000 1.170 263 A CA 1.789 53.854 52.037 0.046 0.000 0.636 263 A CB -0.292 18.735 19.000 0.045 0.000 0.810 263 A HN 0.371 nan 8.150 nan 0.000 0.448 264 K N -0.484 119.969 120.400 0.088 0.000 2.076 264 K HA 0.128 4.438 4.320 -0.018 0.000 0.204 264 K C 1.719 178.420 176.600 0.169 0.000 1.051 264 K CA 1.010 57.380 56.287 0.138 0.000 0.949 264 K CB -0.302 32.225 32.500 0.044 0.000 0.726 264 K HN 0.424 nan 8.250 nan 0.000 0.443 265 L N 1.509 122.773 121.223 0.069 0.000 2.191 265 L HA -0.125 4.204 4.340 -0.018 0.000 0.212 265 L C 2.116 179.017 176.870 0.051 0.000 1.103 265 L CA 0.862 55.741 54.840 0.066 0.000 0.769 265 L CB -0.612 41.458 42.059 0.019 0.000 0.908 265 L HN 0.288 nan 8.230 nan 0.000 0.438 266 I N -4.773 115.799 120.570 0.003 0.000 3.550 266 I HA -0.165 3.995 4.170 -0.018 0.000 0.295 266 I C 1.328 177.297 176.117 -0.246 0.000 1.291 266 I CA 0.906 62.137 61.300 -0.116 0.000 1.298 266 I CB -0.485 37.411 38.000 -0.174 0.000 1.026 266 I HN 0.091 nan 8.210 nan 0.000 0.491 267 Y N 0.746 121.052 120.300 0.011 0.000 2.458 267 Y HA 0.275 4.814 4.550 -0.018 0.000 0.256 267 Y C 1.805 177.723 175.900 0.031 0.000 1.159 267 Y CA -0.235 57.877 58.100 0.020 0.000 1.261 267 Y CB 0.235 38.703 38.460 0.013 0.000 1.119 267 Y HN 0.183 nan 8.280 nan 0.000 0.524 268 S N 0.240 116.024 115.700 0.140 0.000 2.573 268 S HA 0.025 4.484 4.470 -0.018 0.000 0.277 268 S C 1.224 175.880 174.600 0.093 0.000 1.346 268 S CA -0.211 58.055 58.200 0.110 0.000 1.034 268 S CB 0.532 63.790 63.200 0.097 0.000 0.879 268 S HN 0.259 nan 8.310 nan 0.000 0.528 269 M N 1.943 121.594 119.600 0.084 0.000 2.465 269 M HA 0.194 4.663 4.480 -0.018 0.000 0.249 269 M C 0.242 176.584 176.300 0.070 0.000 1.130 269 M CA 0.167 55.513 55.300 0.076 0.000 1.067 269 M CB -1.325 31.311 32.600 0.061 0.000 1.394 269 M HN 0.638 nan 8.290 nan 0.000 0.483 270 D N 1.115 121.554 120.400 0.064 0.000 2.338 270 D HA 0.091 4.721 4.640 -0.018 0.000 0.255 270 D C 0.935 177.272 176.300 0.061 0.000 1.237 270 D CA 0.398 54.432 54.000 0.057 0.000 0.883 270 D CB 1.187 42.018 40.800 0.051 0.000 1.087 270 D HN 0.050 nan 8.370 nan 0.000 0.485 271 T N 3.152 117.743 114.554 0.062 0.000 2.635 271 T HA -0.230 4.110 4.350 -0.018 0.000 0.267 271 T C 1.416 176.143 174.700 0.046 0.000 1.040 271 T CA 1.588 63.719 62.100 0.053 0.000 1.156 271 T CB -0.222 68.682 68.868 0.061 0.000 0.863 271 T HN 0.523 nan 8.240 nan 0.000 0.430 272 E N 0.498 120.733 120.200 0.060 0.000 2.153 272 E HA -0.086 4.254 4.350 -0.018 0.000 0.194 272 E C 2.432 179.101 176.600 0.115 0.000 0.988 272 E CA 1.347 57.800 56.400 0.088 0.000 0.811 272 E CB -0.352 29.390 29.700 0.070 0.000 0.746 272 E HN 0.394 nan 8.360 nan 0.000 0.466 273 T N 0.906 115.518 114.554 0.098 0.000 2.777 273 T HA -0.096 4.244 4.350 -0.018 0.000 0.266 273 T C 1.690 176.447 174.700 0.095 0.000 1.040 273 T CA 0.697 62.868 62.100 0.119 0.000 1.141 273 T CB -0.176 68.759 68.868 0.111 0.000 0.868 273 T HN 0.037 nan 8.240 nan 0.000 0.444 274 L N 1.440 122.694 121.223 0.052 0.000 2.027 274 L HA -0.003 4.326 4.340 -0.018 0.000 0.206 274 L C 2.437 179.291 176.870 -0.027 0.000 1.074 274 L CA 1.521 56.359 54.840 -0.003 0.000 0.745 274 L CB -0.877 41.160 42.059 -0.037 0.000 0.898 274 L HN 0.061 nan 8.230 nan 0.000 0.433 275 V N 0.066 119.979 119.914 -0.001 0.000 2.255 275 V HA -0.313 3.796 4.120 -0.018 0.000 0.247 275 V C 2.317 178.505 176.094 0.157 0.000 1.051 275 V CA 2.094 64.409 62.300 0.025 0.000 1.018 275 V CB -0.834 31.061 31.823 0.120 0.000 0.641 275 V HN 0.442 nan 8.190 nan 0.000 0.445 276 D N 0.267 120.811 120.400 0.239 0.000 2.144 276 D HA -0.110 4.520 4.640 -0.018 0.000 0.199 276 D C 2.207 178.614 176.300 0.178 0.000 0.984 276 D CA 1.599 55.777 54.000 0.298 0.000 0.834 276 D CB -0.416 40.569 40.800 0.309 0.000 0.955 276 D HN 0.438 nan 8.370 nan 0.000 0.465 277 A N 0.304 123.184 122.820 0.100 0.000 1.902 277 A HA -0.201 4.108 4.320 -0.018 0.000 0.217 277 A C 2.521 180.083 177.584 -0.037 0.000 1.181 277 A CA 1.351 53.407 52.037 0.032 0.000 0.623 277 A CB -0.968 18.042 19.000 0.016 0.000 0.818 277 A HN 0.354 nan 8.150 nan 0.000 0.443 278 C N -2.802 116.441 119.300 -0.094 0.000 2.429 278 C HA -0.146 4.303 4.460 -0.018 0.000 0.277 278 C C 2.415 177.228 174.990 -0.296 0.000 1.262 278 C CA 0.559 59.446 59.018 -0.218 0.000 1.733 278 C CB -1.752 25.797 27.740 -0.317 0.000 2.010 278 C HN 0.826 nan 8.230 nan 0.000 0.483 279 W N 0.941 122.092 121.300 -0.248 0.000 2.355 279 W HA -0.119 4.530 4.660 -0.018 0.000 0.309 279 W C 2.697 178.769 176.519 -0.744 0.000 1.206 279 W CA 1.237 58.272 57.345 -0.518 0.000 1.284 279 W CB -0.604 28.617 29.460 -0.398 0.000 1.145 279 W HN 0.265 nan 8.180 nan 0.000 0.502 280 A N 0.260 123.013 122.820 -0.111 0.000 1.917 280 A HA -0.225 4.084 4.320 -0.018 0.000 0.219 280 A C 1.811 179.374 177.584 -0.035 0.000 1.182 280 A CA 1.967 53.986 52.037 -0.031 0.000 0.633 280 A CB -0.980 18.049 19.000 0.048 0.000 0.819 280 A HN 0.349 nan 8.150 nan 0.000 0.448 281 I N 0.491 121.018 120.570 -0.071 0.000 2.439 281 I HA -0.187 3.973 4.170 -0.018 0.000 0.251 281 I C 2.723 178.819 176.117 -0.034 0.000 1.139 281 I CA 1.244 62.526 61.300 -0.030 0.000 1.438 281 I CB -0.149 37.819 38.000 -0.054 0.000 1.085 281 I HN 0.495 nan 8.210 nan 0.000 0.427 282 S N 0.186 115.801 115.700 -0.141 0.000 2.419 282 S HA -0.172 4.288 4.470 -0.018 0.000 0.233 282 S C 1.907 176.565 174.600 0.095 0.000 1.016 282 S CA 0.957 59.103 58.200 -0.089 0.000 0.974 282 S CB -0.667 62.410 63.200 -0.204 0.000 0.786 282 S HN 0.538 nan 8.310 nan 0.000 0.492 283 Y N 1.043 121.423 120.300 0.133 0.000 2.262 283 Y HA 0.261 4.799 4.550 -0.020 0.000 0.295 283 Y C 2.445 178.420 175.900 0.125 0.000 1.121 283 Y CA 0.129 58.303 58.100 0.124 0.000 1.144 283 Y CB -0.240 38.288 38.460 0.114 0.000 1.043 283 Y HN 0.150 nan 8.280 nan 0.000 0.528 284 L N 0.122 121.527 121.223 0.304 0.000 2.079 284 L HA -0.243 4.087 4.340 -0.018 0.000 0.210 284 L C 2.467 179.484 176.870 0.244 0.000 1.081 284 L CA 1.798 56.833 54.840 0.325 0.000 0.752 284 L CB -0.668 41.564 42.059 0.288 0.000 0.896 284 L HN 0.283 nan 8.230 nan 0.000 0.433 285 S N -2.168 113.626 115.700 0.156 0.000 2.561 285 S HA -0.095 4.365 4.470 -0.018 0.000 0.225 285 S C 0.916 175.556 174.600 0.066 0.000 0.977 285 S CA 0.080 58.331 58.200 0.085 0.000 0.926 285 S CB -0.285 62.949 63.200 0.057 0.000 0.769 285 S HN 0.281 nan 8.310 nan 0.000 0.533 286 D N 1.679 122.145 120.400 0.110 0.000 2.517 286 D HA 0.567 5.197 4.640 -0.018 0.000 0.220 286 D C 0.348 176.675 176.300 0.045 0.000 1.158 286 D CA 0.375 54.436 54.000 0.100 0.000 0.992 286 D CB 0.049 40.944 40.800 0.157 0.000 1.058 286 D HN 0.507 nan 8.370 nan 0.000 0.516 287 G N 2.369 111.159 108.800 -0.016 0.000 2.364 287 G HA2 0.276 4.226 3.960 -0.018 0.000 0.286 287 G HA3 0.276 4.226 3.960 -0.018 0.000 0.286 287 G C -2.801 172.023 174.900 -0.128 0.000 1.241 287 G CA -0.786 44.265 45.100 -0.081 0.000 0.887 287 G HN 0.210 nan 8.290 nan 0.000 0.484 288 P HA 0.227 nan 4.420 nan 0.000 0.273 288 P C 0.466 177.646 177.300 -0.200 0.000 1.250 288 P CA -0.122 62.866 63.100 -0.186 0.000 0.793 288 P CB 0.796 32.367 31.700 -0.215 0.000 1.011 289 Q N -0.100 119.615 119.800 -0.142 0.000 2.152 289 Q HA -0.244 4.085 4.340 -0.018 0.000 0.206 289 Q C 1.975 177.891 176.000 -0.139 0.000 0.985 289 Q CA 1.632 57.365 55.803 -0.116 0.000 0.863 289 Q CB -0.158 28.532 28.738 -0.080 0.000 0.904 289 Q HN 0.612 nan 8.270 nan 0.000 0.422 290 E N 0.174 120.259 120.200 -0.192 0.000 2.110 290 E HA -0.204 4.136 4.350 -0.018 0.000 0.193 290 E C 1.834 178.272 176.600 -0.269 0.000 0.988 290 E CA 1.011 57.294 56.400 -0.195 0.000 0.804 290 E CB 0.002 29.565 29.700 -0.228 0.000 0.745 290 E HN 0.363 nan 8.360 nan 0.000 0.458 291 A N 0.800 123.294 122.820 -0.544 0.000 1.929 291 A HA -0.071 4.239 4.320 -0.018 0.000 0.216 291 A C 2.107 179.598 177.584 -0.156 0.000 1.176 291 A CA 0.737 52.330 52.037 -0.740 0.000 0.628 291 A CB -0.428 17.902 19.000 -1.117 0.000 0.816 291 A HN 0.266 nan 8.150 nan 0.000 0.444 292 I N -0.625 119.866 120.570 -0.133 0.000 2.286 292 I HA -0.284 3.875 4.170 -0.018 0.000 0.248 292 I C 2.724 178.842 176.117 0.001 0.000 1.115 292 I CA 1.681 62.957 61.300 -0.040 0.000 1.392 292 I CB -0.193 37.774 38.000 -0.056 0.000 1.065 292 I HN 0.357 nan 8.210 nan 0.000 0.418 293 Q N 1.157 120.952 119.800 -0.009 0.000 2.084 293 Q HA -0.150 4.180 4.340 -0.018 0.000 0.202 293 Q C 2.209 178.252 176.000 0.071 0.000 0.978 293 Q CA 2.169 57.985 55.803 0.021 0.000 0.844 293 Q CB -0.349 28.395 28.738 0.011 0.000 0.898 293 Q HN 0.498 nan 8.270 nan 0.000 0.426 294 A N -0.702 122.202 122.820 0.139 0.000 1.940 294 A HA -0.136 4.173 4.320 -0.018 0.000 0.219 294 A C 2.248 179.922 177.584 0.149 0.000 1.176 294 A CA 1.651 53.812 52.037 0.206 0.000 0.631 294 A CB -0.754 18.519 19.000 0.455 0.000 0.814 294 A HN 0.271 nan 8.150 nan 0.000 0.446 295 V N -0.021 119.978 119.914 0.142 0.000 2.358 295 V HA -0.241 3.868 4.120 -0.018 0.000 0.246 295 V C 2.389 178.515 176.094 0.053 0.000 1.047 295 V CA 1.922 64.277 62.300 0.093 0.000 1.035 295 V CB -0.612 31.259 31.823 0.081 0.000 0.658 295 V HN 0.574 nan 8.190 nan 0.000 0.452 296 I N 0.161 120.757 120.570 0.043 0.000 2.226 296 I HA -0.216 3.944 4.170 -0.018 0.000 0.245 296 I C 2.178 178.312 176.117 0.029 0.000 1.100 296 I CA 1.555 62.870 61.300 0.025 0.000 1.374 296 I CB -0.424 37.584 38.000 0.014 0.000 1.057 296 I HN 0.307 nan 8.210 nan 0.000 0.413 297 D N 0.322 120.745 120.400 0.038 0.000 2.264 297 D HA -0.097 4.532 4.640 -0.018 0.000 0.208 297 D C 1.942 178.261 176.300 0.031 0.000 0.966 297 D CA 1.145 55.165 54.000 0.034 0.000 0.864 297 D CB -0.081 40.744 40.800 0.041 0.000 0.933 297 D HN 0.334 nan 8.370 nan 0.000 0.499 298 V N -1.797 118.138 119.914 0.035 0.000 3.620 298 V HA 0.201 4.311 4.120 -0.018 0.000 0.286 298 V C 0.684 176.799 176.094 0.035 0.000 1.288 298 V CA -0.254 62.063 62.300 0.029 0.000 1.178 298 V CB -0.612 31.225 31.823 0.024 0.000 0.986 298 V HN 0.065 nan 8.190 nan 0.000 0.431 299 R N -1.306 119.214 120.500 0.034 0.000 3.875 299 R HA -0.218 4.111 4.340 -0.018 0.000 0.321 299 R C 1.010 177.340 176.300 0.050 0.000 1.196 299 R CA 1.272 57.396 56.100 0.040 0.000 0.868 299 R CB -2.540 27.788 30.300 0.046 0.000 1.333 299 R HN 0.554 nan 8.270 nan 0.000 0.522 300 I N 1.303 121.894 120.570 0.036 0.000 2.226 300 I HA -0.161 3.999 4.170 -0.018 0.000 0.245 300 I C -0.413 175.702 176.117 -0.003 0.000 1.100 300 I CA 1.487 62.798 61.300 0.019 0.000 1.374 300 I CB -0.810 37.195 38.000 0.008 0.000 1.057 300 I HN 0.126 nan 8.210 nan 0.000 0.413 301 P HA -0.228 nan 4.420 nan 0.000 0.218 301 P C 1.447 178.736 177.300 -0.019 0.000 1.148 301 P CA 1.552 64.641 63.100 -0.018 0.000 0.822 301 P CB -0.172 31.519 31.700 -0.014 0.000 0.784 302 K N 0.139 120.539 120.400 -0.000 0.000 2.020 302 K HA -0.222 4.088 4.320 -0.018 0.000 0.212 302 K C 2.401 178.993 176.600 -0.013 0.000 1.050 302 K CA 1.593 57.884 56.287 0.006 0.000 0.929 302 K CB -0.227 32.295 32.500 0.037 0.000 0.714 302 K HN -0.202 nan 8.250 nan 0.000 0.443 303 R N 1.047 121.530 120.500 -0.030 0.000 2.115 303 R HA 0.001 4.331 4.340 -0.018 0.000 0.230 303 R C 2.161 178.377 176.300 -0.141 0.000 1.111 303 R CA 1.209 57.230 56.100 -0.133 0.000 0.976 303 R CB -0.548 29.577 30.300 -0.292 0.000 0.870 303 R HN 0.312 nan 8.270 nan 0.000 0.445 304 L N -0.733 120.428 121.223 -0.104 0.000 2.046 304 L HA -0.156 4.174 4.340 -0.018 0.000 0.208 304 L C 2.234 179.057 176.870 -0.077 0.000 1.077 304 L CA 1.077 55.858 54.840 -0.099 0.000 0.747 304 L CB -0.490 41.519 42.059 -0.083 0.000 0.896 304 L HN 0.015 nan 8.230 nan 0.000 0.432 305 V N -0.111 119.769 119.914 -0.057 0.000 2.343 305 V HA -0.284 3.826 4.120 -0.018 0.000 0.247 305 V C 2.387 178.459 176.094 -0.037 0.000 1.051 305 V CA 1.808 64.083 62.300 -0.042 0.000 1.036 305 V CB -0.463 31.341 31.823 -0.031 0.000 0.654 305 V HN 0.471 nan 8.190 nan 0.000 0.451 306 E N 0.075 120.250 120.200 -0.041 0.000 2.051 306 E HA -0.203 4.137 4.350 -0.018 0.000 0.192 306 E C 2.107 178.692 176.600 -0.026 0.000 0.991 306 E CA 1.273 57.654 56.400 -0.031 0.000 0.799 306 E CB -0.251 29.427 29.700 -0.037 0.000 0.748 306 E HN 0.509 nan 8.360 nan 0.000 0.449 307 L N 1.041 122.236 121.223 -0.047 0.000 2.450 307 L HA -0.137 4.192 4.340 -0.018 0.000 0.224 307 L C 2.130 178.992 176.870 -0.014 0.000 1.149 307 L CA 0.301 55.126 54.840 -0.024 0.000 0.816 307 L CB -0.325 41.681 42.059 -0.088 0.000 0.932 307 L HN 0.178 nan 8.230 nan 0.000 0.449 308 L N -0.489 120.718 121.223 -0.025 0.000 2.275 308 L HA -0.130 4.199 4.340 -0.018 0.000 0.215 308 L C 2.173 179.048 176.870 0.008 0.000 1.119 308 L CA 1.195 56.023 54.840 -0.020 0.000 0.790 308 L CB -0.387 41.657 42.059 -0.024 0.000 0.919 308 L HN 0.384 nan 8.230 nan 0.000 0.443 309 S N -3.005 112.707 115.700 0.020 0.000 2.572 309 S HA 0.046 4.505 4.470 -0.018 0.000 0.228 309 S C 0.687 175.315 174.600 0.046 0.000 0.963 309 S CA -0.576 57.638 58.200 0.023 0.000 0.939 309 S CB -0.435 62.767 63.200 0.003 0.000 0.804 309 S HN 0.310 nan 8.310 nan 0.000 0.480 310 H N 3.173 122.222 119.070 -0.035 0.000 2.852 310 H HA 0.053 4.598 4.556 -0.018 0.000 0.362 310 H C 1.491 176.807 175.328 -0.020 0.000 1.122 310 H CA 1.132 57.162 56.048 -0.031 0.000 1.419 310 H CB 0.929 30.665 29.762 -0.042 0.000 1.401 310 H HN 0.476 nan 8.280 nan 0.000 0.609 311 E N 2.217 122.410 120.200 -0.011 0.000 2.150 311 E HA -0.120 4.219 4.350 -0.018 0.000 0.193 311 E C 0.506 177.213 176.600 0.178 0.000 0.985 311 E CA 0.307 56.739 56.400 0.054 0.000 0.814 311 E CB -0.078 29.593 29.700 -0.049 0.000 0.752 311 E HN 0.217 nan 8.360 nan 0.000 0.466 312 S N 1.192 117.132 115.700 0.400 0.000 2.513 312 S HA 0.144 4.603 4.470 -0.018 0.000 0.276 312 S C 1.094 175.734 174.600 0.066 0.000 1.254 312 S CA 0.108 58.418 58.200 0.183 0.000 1.053 312 S CB 1.158 64.438 63.200 0.132 0.000 0.958 312 S HN 0.363 nan 8.310 nan 0.000 0.491 313 T N 3.700 118.279 114.554 0.042 0.000 3.007 313 T HA -0.007 4.333 4.350 -0.018 0.000 0.270 313 T C 1.666 176.357 174.700 -0.015 0.000 1.107 313 T CA 0.715 62.822 62.100 0.012 0.000 1.118 313 T CB -0.391 68.494 68.868 0.028 0.000 0.889 313 T HN 0.621 nan 8.240 nan 0.000 0.506 314 L N 0.433 121.652 121.223 -0.007 0.000 2.362 314 L HA 0.022 4.351 4.340 -0.018 0.000 0.219 314 L C 2.499 179.300 176.870 -0.115 0.000 1.134 314 L CA 0.456 55.297 54.840 0.001 0.000 0.807 314 L CB -0.373 41.712 42.059 0.044 0.000 0.927 314 L HN 0.234 nan 8.230 nan 0.000 0.447 315 V N -1.279 118.512 119.914 -0.205 0.000 2.581 315 V HA -0.116 3.994 4.120 -0.018 0.000 0.240 315 V C 2.237 178.181 176.094 -0.250 0.000 1.054 315 V CA 0.786 62.897 62.300 -0.313 0.000 1.076 315 V CB -0.236 31.241 31.823 -0.576 0.000 0.748 315 V HN 0.344 nan 8.190 nan 0.000 0.474 316 Q N 0.201 119.907 119.800 -0.157 0.000 2.062 316 Q HA -0.253 4.076 4.340 -0.018 0.000 0.209 316 Q C 2.330 178.238 176.000 -0.153 0.000 0.996 316 Q CA 2.514 58.252 55.803 -0.110 0.000 0.859 316 Q CB -0.567 28.146 28.738 -0.042 0.000 0.920 316 Q HN 0.577 nan 8.270 nan 0.000 0.415 317 T N 1.457 115.911 114.554 -0.166 0.000 2.607 317 T HA -0.134 4.206 4.350 -0.018 0.000 0.267 317 T C -1.017 173.451 174.700 -0.387 0.000 1.049 317 T CA 1.842 63.823 62.100 -0.198 0.000 1.162 317 T CB -1.097 67.702 68.868 -0.115 0.000 0.863 317 T HN 0.322 nan 8.240 nan 0.000 0.424 318 P HA 0.071 nan 4.420 nan 0.000 0.219 318 P C 1.333 178.339 177.300 -0.491 0.000 1.150 318 P CA 1.205 63.732 63.100 -0.954 0.000 0.814 318 P CB -0.152 30.565 31.700 -1.637 0.000 0.787 319 A N 0.321 122.921 122.820 -0.366 0.000 1.873 319 A HA -0.153 4.156 4.320 -0.018 0.000 0.215 319 A C 2.226 179.720 177.584 -0.149 0.000 1.186 319 A CA 1.491 53.390 52.037 -0.229 0.000 0.616 319 A CB -1.661 17.226 19.000 -0.189 0.000 0.823 319 A HN 0.170 nan 8.150 nan 0.000 0.442 320 L N -0.330 120.818 121.223 -0.125 0.000 2.046 320 L HA -0.119 4.210 4.340 -0.018 0.000 0.208 320 L C 2.349 179.219 176.870 -0.001 0.000 1.077 320 L CA 2.419 57.230 54.840 -0.049 0.000 0.747 320 L CB -0.659 41.386 42.059 -0.023 0.000 0.896 320 L HN 0.373 nan 8.230 nan 0.000 0.432 321 R N 0.237 120.712 120.500 -0.041 0.000 2.073 321 R HA -0.049 4.281 4.340 -0.018 0.000 0.234 321 R C 2.175 178.515 176.300 0.066 0.000 1.134 321 R CA 1.768 57.898 56.100 0.051 0.000 0.952 321 R CB -1.080 29.194 30.300 -0.044 0.000 0.850 321 R HN 0.482 nan 8.270 nan 0.000 0.433 322 A N -0.252 122.546 122.820 -0.037 0.000 1.883 322 A HA -0.128 4.181 4.320 -0.018 0.000 0.217 322 A C 2.382 179.958 177.584 -0.014 0.000 1.186 322 A CA 1.935 53.956 52.037 -0.026 0.000 0.624 322 A CB -0.908 18.045 19.000 -0.078 0.000 0.822 322 A HN 0.183 nan 8.150 nan 0.000 0.444 323 V N -0.048 119.845 119.914 -0.034 0.000 2.287 323 V HA -0.209 3.901 4.120 -0.018 0.000 0.248 323 V C 2.826 178.871 176.094 -0.081 0.000 1.053 323 V CA 2.060 64.329 62.300 -0.052 0.000 1.027 323 V CB -1.486 30.304 31.823 -0.055 0.000 0.646 323 V HN 0.638 nan 8.190 nan 0.000 0.447 324 G N 0.016 108.783 108.800 -0.055 0.000 2.442 324 G HA2 -0.274 3.676 3.960 -0.018 0.000 0.219 324 G HA3 -0.274 3.676 3.960 -0.018 0.000 0.219 324 G C 1.418 176.184 174.900 -0.225 0.000 1.141 324 G CA 0.960 45.909 45.100 -0.251 0.000 0.763 324 G HN 0.528 nan 8.290 nan 0.000 0.554 325 N N 0.583 119.312 118.700 0.049 0.000 2.188 325 N HA -0.014 4.716 4.740 -0.018 0.000 0.184 325 N C 2.195 177.690 175.510 -0.025 0.000 1.018 325 N CA 0.581 53.675 53.050 0.073 0.000 0.858 325 N CB -0.232 38.325 38.487 0.117 0.000 0.989 325 N HN 0.361 nan 8.380 nan 0.000 0.426 326 I N 0.689 121.231 120.570 -0.046 0.000 2.226 326 I HA -0.199 3.960 4.170 -0.018 0.000 0.245 326 I C 1.845 177.906 176.117 -0.093 0.000 1.100 326 I CA 0.923 62.188 61.300 -0.058 0.000 1.374 326 I CB -0.223 37.748 38.000 -0.050 0.000 1.057 326 I HN 0.005 nan 8.210 nan 0.000 0.413 327 V N -1.988 117.838 119.914 -0.146 0.000 3.510 327 V HA -0.040 4.069 4.120 -0.018 0.000 0.270 327 V C 2.063 178.038 176.094 -0.199 0.000 1.201 327 V CA 1.269 63.465 62.300 -0.174 0.000 1.166 327 V CB -1.600 30.094 31.823 -0.214 0.000 0.825 327 V HN 0.545 nan 8.190 nan 0.000 0.484 328 T N -2.247 112.199 114.554 -0.180 0.000 3.160 328 T HA 0.276 4.615 4.350 -0.018 0.000 0.257 328 T C 1.119 175.768 174.700 -0.084 0.000 1.147 328 T CA 0.623 62.646 62.100 -0.129 0.000 1.064 328 T CB -0.368 68.470 68.868 -0.049 0.000 0.949 328 T HN 0.710 nan 8.240 nan 0.000 0.526 329 G N 2.168 110.919 108.800 -0.081 0.000 2.494 329 G HA2 0.432 4.381 3.960 -0.018 0.000 0.270 329 G HA3 0.432 4.381 3.960 -0.018 0.000 0.270 329 G C 0.060 174.924 174.900 -0.060 0.000 1.423 329 G CA -0.726 44.335 45.100 -0.065 0.000 1.055 329 G HN 0.642 nan 8.290 nan 0.000 0.536 330 N N -0.741 117.929 118.700 -0.050 0.000 2.263 330 N HA 0.050 4.780 4.740 -0.018 0.000 0.239 330 N C 0.417 175.901 175.510 -0.042 0.000 1.317 330 N CA 0.151 53.176 53.050 -0.042 0.000 0.909 330 N CB 0.428 38.895 38.487 -0.034 0.000 1.171 330 N HN 0.280 nan 8.380 nan 0.000 0.492 331 D N -0.525 119.854 120.400 -0.035 0.000 2.117 331 D HA -0.092 4.538 4.640 -0.018 0.000 0.197 331 D C 1.823 178.104 176.300 -0.031 0.000 0.987 331 D CA 1.123 55.103 54.000 -0.033 0.000 0.829 331 D CB -0.310 40.475 40.800 -0.025 0.000 0.961 331 D HN 0.467 nan 8.370 nan 0.000 0.460 332 L N 0.423 121.630 121.223 -0.026 0.000 2.046 332 L HA -0.203 4.126 4.340 -0.018 0.000 0.208 332 L C 2.500 179.355 176.870 -0.026 0.000 1.077 332 L CA 1.190 56.017 54.840 -0.023 0.000 0.747 332 L CB -0.432 41.616 42.059 -0.018 0.000 0.896 332 L HN 0.037 nan 8.230 nan 0.000 0.432 333 Q N -0.776 119.006 119.800 -0.031 0.000 2.079 333 Q HA -0.161 4.168 4.340 -0.018 0.000 0.200 333 Q C 2.212 178.186 176.000 -0.042 0.000 0.974 333 Q CA 1.929 57.712 55.803 -0.034 0.000 0.840 333 Q CB -0.206 28.508 28.738 -0.039 0.000 0.898 333 Q HN 0.444 nan 8.270 nan 0.000 0.430 334 T N 0.592 115.116 114.554 -0.050 0.000 2.777 334 T HA -0.178 4.161 4.350 -0.018 0.000 0.266 334 T C 1.730 176.401 174.700 -0.049 0.000 1.040 334 T CA 1.325 63.388 62.100 -0.061 0.000 1.141 334 T CB -0.138 68.689 68.868 -0.067 0.000 0.868 334 T HN 0.147 nan 8.240 nan 0.000 0.444 335 Q N 0.832 120.609 119.800 -0.039 0.000 2.170 335 Q HA -0.052 4.277 4.340 -0.018 0.000 0.203 335 Q C 2.131 178.115 176.000 -0.027 0.000 0.976 335 Q CA 1.076 56.860 55.803 -0.031 0.000 0.858 335 Q CB -0.669 28.053 28.738 -0.026 0.000 0.907 335 Q HN 0.353 nan 8.270 nan 0.000 0.433 336 V N -0.893 119.005 119.914 -0.026 0.000 2.343 336 V HA -0.239 3.871 4.120 -0.018 0.000 0.247 336 V C 2.121 178.201 176.094 -0.024 0.000 1.051 336 V CA 1.638 63.925 62.300 -0.020 0.000 1.036 336 V CB -0.473 31.340 31.823 -0.016 0.000 0.654 336 V HN 0.232 nan 8.190 nan 0.000 0.451 337 V N -0.376 119.518 119.914 -0.033 0.000 2.379 337 V HA -0.199 3.911 4.120 -0.018 0.000 0.245 337 V C 2.155 178.228 176.094 -0.036 0.000 1.044 337 V CA 1.854 64.131 62.300 -0.038 0.000 1.036 337 V CB -0.398 31.394 31.823 -0.052 0.000 0.664 337 V HN 0.435 nan 8.190 nan 0.000 0.453 338 I N 0.655 121.203 120.570 -0.037 0.000 2.208 338 I HA -0.245 3.915 4.170 -0.018 0.000 0.245 338 I C 2.274 178.376 176.117 -0.025 0.000 1.097 338 I CA 1.535 62.815 61.300 -0.033 0.000 1.363 338 I CB -0.481 37.498 38.000 -0.034 0.000 1.051 338 I HN 0.357 nan 8.210 nan 0.000 0.413 339 N N 1.017 119.704 118.700 -0.022 0.000 2.309 339 N HA -0.067 4.663 4.740 -0.018 0.000 0.182 339 N C 1.601 177.103 175.510 -0.013 0.000 1.018 339 N CA 1.291 54.332 53.050 -0.016 0.000 0.876 339 N CB -0.227 38.252 38.487 -0.014 0.000 0.972 339 N HN 0.319 nan 8.380 nan 0.000 0.434 340 A N -0.569 122.243 122.820 -0.014 0.000 2.238 340 A HA 0.433 4.742 4.320 -0.018 0.000 0.208 340 A C 1.357 178.933 177.584 -0.013 0.000 1.177 340 A CA 0.778 52.809 52.037 -0.011 0.000 0.804 340 A CB -0.279 18.714 19.000 -0.012 0.000 0.823 340 A HN 0.302 nan 8.150 nan 0.000 0.482 341 G N -2.079 106.711 108.800 -0.016 0.000 2.148 341 G HA2 -0.208 3.741 3.960 -0.018 0.000 0.203 341 G HA3 -0.208 3.741 3.960 -0.018 0.000 0.203 341 G C 0.913 175.801 174.900 -0.019 0.000 0.993 341 G CA 0.470 45.561 45.100 -0.015 0.000 0.661 341 G HN 0.813 nan 8.290 nan 0.000 0.518 342 V N 0.595 120.494 119.914 -0.025 0.000 2.490 342 V HA -0.050 4.060 4.120 -0.018 0.000 0.250 342 V C 2.698 178.777 176.094 -0.026 0.000 1.061 342 V CA 2.700 64.982 62.300 -0.029 0.000 1.064 342 V CB -0.238 31.561 31.823 -0.040 0.000 0.670 342 V HN 0.534 nan 8.190 nan 0.000 0.461 343 L N 0.041 121.250 121.223 -0.024 0.000 2.005 343 L HA -0.063 4.266 4.340 -0.018 0.000 0.207 343 L C 0.089 176.952 176.870 -0.012 0.000 1.072 343 L CA 1.654 56.482 54.840 -0.020 0.000 0.744 343 L CB -1.871 40.175 42.059 -0.022 0.000 0.895 343 L HN 0.324 nan 8.230 nan 0.000 0.433 344 P HA -0.156 nan 4.420 nan 0.000 0.218 344 P C 1.341 178.638 177.300 -0.005 0.000 1.148 344 P CA 1.614 64.710 63.100 -0.006 0.000 0.822 344 P CB -0.000 31.696 31.700 -0.007 0.000 0.784 345 A N -0.479 122.336 122.820 -0.009 0.000 1.898 345 A HA -0.121 4.188 4.320 -0.018 0.000 0.216 345 A C 2.146 179.728 177.584 -0.004 0.000 1.181 345 A CA 1.207 53.240 52.037 -0.008 0.000 0.620 345 A CB -1.605 17.387 19.000 -0.013 0.000 0.819 345 A HN 0.115 nan 8.150 nan 0.000 0.442 346 L N -0.916 120.303 121.223 -0.007 0.000 2.191 346 L HA -0.159 4.170 4.340 -0.018 0.000 0.212 346 L C 2.765 179.640 176.870 0.007 0.000 1.103 346 L CA 0.892 55.731 54.840 -0.001 0.000 0.769 346 L CB -0.441 41.614 42.059 -0.007 0.000 0.908 346 L HN 0.282 nan 8.230 nan 0.000 0.438 347 R N 0.523 121.027 120.500 0.006 0.000 2.075 347 R HA -0.117 4.212 4.340 -0.018 0.000 0.232 347 R C 2.143 178.451 176.300 0.012 0.000 1.126 347 R CA 1.399 57.506 56.100 0.011 0.000 0.963 347 R CB -0.775 29.530 30.300 0.008 0.000 0.858 347 R HN 0.343 nan 8.270 nan 0.000 0.435 348 L N 0.534 121.762 121.223 0.008 0.000 2.017 348 L HA -0.152 4.178 4.340 -0.018 0.000 0.208 348 L C 2.087 178.965 176.870 0.013 0.000 1.073 348 L CA 1.547 56.392 54.840 0.009 0.000 0.745 348 L CB -0.384 41.679 42.059 0.006 0.000 0.894 348 L HN 0.206 nan 8.230 nan 0.000 0.432 349 L N -0.503 120.727 121.223 0.013 0.000 2.275 349 L HA -0.218 4.111 4.340 -0.018 0.000 0.215 349 L C 2.496 179.381 176.870 0.024 0.000 1.119 349 L CA 0.530 55.380 54.840 0.018 0.000 0.790 349 L CB -0.333 41.736 42.059 0.017 0.000 0.919 349 L HN 0.309 nan 8.230 nan 0.000 0.443 350 L N -0.399 120.839 121.223 0.024 0.000 2.275 350 L HA -0.117 4.212 4.340 -0.018 0.000 0.215 350 L C 1.628 178.514 176.870 0.026 0.000 1.119 350 L CA 1.008 55.865 54.840 0.029 0.000 0.790 350 L CB -0.263 41.813 42.059 0.030 0.000 0.919 350 L HN 0.371 nan 8.230 nan 0.000 0.443 351 S N -2.229 113.484 115.700 0.021 0.000 2.526 351 S HA 0.141 4.601 4.470 -0.018 0.000 0.245 351 S C 0.362 174.973 174.600 0.019 0.000 1.103 351 S CA -0.593 57.618 58.200 0.019 0.000 1.095 351 S CB 0.319 63.528 63.200 0.016 0.000 0.826 351 S HN 0.199 nan 8.310 nan 0.000 0.468 352 S N 1.997 117.710 115.700 0.021 0.000 2.592 352 S HA 0.390 4.850 4.470 -0.018 0.000 0.271 352 S C -1.412 173.201 174.600 0.022 0.000 1.326 352 S CA -1.154 57.059 58.200 0.021 0.000 1.024 352 S CB 0.664 63.878 63.200 0.023 0.000 0.921 352 S HN 0.158 nan 8.310 nan 0.000 0.527 353 P HA -0.013 nan 4.420 nan 0.000 0.215 353 P C -0.376 176.938 177.300 0.023 0.000 1.157 353 P CA 1.055 64.168 63.100 0.021 0.000 0.863 353 P CB 0.067 31.780 31.700 0.021 0.000 0.787 354 K N 0.887 121.303 120.400 0.025 0.000 2.412 354 K HA -0.023 4.286 4.320 -0.018 0.000 0.284 354 K C 1.191 177.808 176.600 0.028 0.000 1.046 354 K CA 0.228 56.532 56.287 0.028 0.000 0.999 354 K CB 0.664 33.182 32.500 0.030 0.000 0.941 354 K HN 0.003 nan 8.250 nan 0.000 0.474 355 E N 3.047 123.264 120.200 0.028 0.000 2.085 355 E HA -0.219 4.120 4.350 -0.018 0.000 0.194 355 E C 0.935 177.554 176.600 0.032 0.000 0.994 355 E CA 1.633 58.050 56.400 0.029 0.000 0.801 355 E CB 0.123 29.839 29.700 0.027 0.000 0.743 355 E HN 0.439 nan 8.360 nan 0.000 0.453 356 N N -0.090 118.628 118.700 0.030 0.000 2.331 356 N HA -0.076 4.654 4.740 -0.018 0.000 0.180 356 N C 1.530 177.060 175.510 0.034 0.000 1.019 356 N CA 0.756 53.824 53.050 0.029 0.000 0.881 356 N CB -0.072 38.432 38.487 0.027 0.000 0.972 356 N HN 0.259 nan 8.380 nan 0.000 0.435 357 I N 1.241 121.831 120.570 0.033 0.000 2.315 357 I HA -0.191 3.969 4.170 -0.018 0.000 0.248 357 I C 1.874 178.019 176.117 0.046 0.000 1.117 357 I CA 1.041 62.361 61.300 0.034 0.000 1.404 357 I CB -0.558 37.458 38.000 0.025 0.000 1.071 357 I HN 0.142 nan 8.210 nan 0.000 0.419 358 K N 0.778 121.204 120.400 0.044 0.000 2.097 358 K HA -0.180 4.129 4.320 -0.018 0.000 0.205 358 K C 2.143 178.785 176.600 0.069 0.000 1.050 358 K CA 0.943 57.260 56.287 0.051 0.000 0.938 358 K CB -0.061 32.465 32.500 0.043 0.000 0.718 358 K HN 0.229 nan 8.250 nan 0.000 0.442 359 K N 1.336 121.776 120.400 0.066 0.000 2.057 359 K HA -0.142 4.167 4.320 -0.018 0.000 0.206 359 K C 1.750 178.426 176.600 0.126 0.000 1.050 359 K CA 1.243 57.578 56.287 0.081 0.000 0.935 359 K CB 0.217 32.746 32.500 0.048 0.000 0.715 359 K HN 0.068 nan 8.250 nan 0.000 0.439 360 E N 0.021 120.293 120.200 0.120 0.000 2.208 360 E HA -0.110 4.230 4.350 -0.018 0.000 0.193 360 E C 1.881 178.636 176.600 0.258 0.000 0.988 360 E CA 0.784 57.312 56.400 0.214 0.000 0.828 360 E CB 0.068 29.853 29.700 0.142 0.000 0.763 360 E HN 0.391 nan 8.360 nan 0.000 0.478 361 A N 0.913 123.820 122.820 0.144 0.000 1.902 361 A HA -0.172 4.137 4.320 -0.018 0.000 0.217 361 A C 2.536 180.178 177.584 0.097 0.000 1.181 361 A CA 1.194 53.288 52.037 0.096 0.000 0.623 361 A CB -0.802 18.235 19.000 0.062 0.000 0.818 361 A HN 0.311 nan 8.150 nan 0.000 0.443 362 C N -2.735 116.641 119.300 0.126 0.000 2.446 362 C HA -0.105 4.345 4.460 -0.018 0.000 0.277 362 C C 2.336 177.423 174.990 0.162 0.000 1.275 362 C CA 0.514 59.608 59.018 0.128 0.000 1.727 362 C CB -1.569 26.254 27.740 0.138 0.000 2.010 362 C HN 0.886 nan 8.230 nan 0.000 0.486 363 W N 2.033 123.338 121.300 0.008 0.000 2.335 363 W HA -0.186 4.466 4.660 -0.013 0.000 0.311 363 W C 2.264 178.764 176.519 -0.033 0.000 1.213 363 W CA 2.414 59.743 57.345 -0.027 0.000 1.274 363 W CB -0.877 28.556 29.460 -0.046 0.000 1.148 363 W HN 0.205 nan 8.180 nan 0.000 0.498 364 T N 1.490 115.947 114.554 -0.163 0.000 2.674 364 T HA -0.239 4.101 4.350 -0.018 0.000 0.265 364 T C 1.882 176.423 174.700 -0.265 0.000 1.039 364 T CA 2.358 64.222 62.100 -0.393 0.000 1.150 364 T CB -0.584 68.186 68.868 -0.164 0.000 0.864 364 T HN 0.170 nan 8.240 nan 0.000 0.427 365 I N 1.865 122.368 120.570 -0.111 0.000 2.264 365 I HA -0.214 3.945 4.170 -0.018 0.000 0.248 365 I C 2.769 178.845 176.117 -0.070 0.000 1.111 365 I CA 1.465 62.724 61.300 -0.068 0.000 1.382 365 I CB -0.405 37.591 38.000 -0.007 0.000 1.060 365 I HN 0.331 nan 8.210 nan 0.000 0.418 366 S N 0.540 116.203 115.700 -0.062 0.000 2.406 366 S HA -0.119 4.340 4.470 -0.018 0.000 0.228 366 S C 1.777 176.320 174.600 -0.095 0.000 1.020 366 S CA 0.938 59.134 58.200 -0.008 0.000 0.965 366 S CB -0.409 62.841 63.200 0.084 0.000 0.798 366 S HN 0.402 nan 8.310 nan 0.000 0.488 367 N N 1.375 119.921 118.700 -0.256 0.000 2.512 367 N HA 0.188 4.918 4.740 -0.018 0.000 0.183 367 N C 1.412 176.818 175.510 -0.173 0.000 1.073 367 N CA 0.825 53.715 53.050 -0.268 0.000 0.911 367 N CB -0.279 37.931 38.487 -0.462 0.000 0.964 367 N HN 0.562 nan 8.380 nan 0.000 0.447 368 I N 0.037 120.525 120.570 -0.138 0.000 2.703 368 I HA -0.100 4.059 4.170 -0.018 0.000 0.259 368 I C 1.899 177.986 176.117 -0.050 0.000 1.151 368 I CA 0.848 62.094 61.300 -0.091 0.000 1.470 368 I CB -0.161 37.788 38.000 -0.085 0.000 1.112 368 I HN 0.090 nan 8.210 nan 0.000 0.437 369 T N -1.287 113.250 114.554 -0.029 0.000 3.113 369 T HA 0.153 4.493 4.350 -0.018 0.000 0.256 369 T C 1.614 176.324 174.700 0.017 0.000 1.131 369 T CA 0.635 62.737 62.100 0.004 0.000 1.074 369 T CB 0.015 68.902 68.868 0.030 0.000 0.944 369 T HN 0.258 nan 8.240 nan 0.000 0.516 370 A N 0.901 123.722 122.820 0.002 0.000 2.238 370 A HA 0.610 4.920 4.320 -0.018 0.000 0.208 370 A C 1.544 179.125 177.584 -0.005 0.000 1.177 370 A CA 0.216 52.261 52.037 0.013 0.000 0.804 370 A CB -0.796 18.203 19.000 -0.002 0.000 0.823 370 A HN 0.620 nan 8.150 nan 0.000 0.482 371 G N 0.551 109.339 108.800 -0.020 0.000 2.504 371 G HA2 0.328 4.277 3.960 -0.018 0.000 0.257 371 G HA3 0.328 4.277 3.960 -0.018 0.000 0.257 371 G C 0.202 175.095 174.900 -0.013 0.000 1.451 371 G CA -0.017 45.068 45.100 -0.024 0.000 1.059 371 G HN 0.624 nan 8.290 nan 0.000 0.550 372 N N -2.006 116.685 118.700 -0.016 0.000 2.364 372 N HA 0.191 4.921 4.740 -0.018 0.000 0.264 372 N C 1.075 176.578 175.510 -0.011 0.000 1.263 372 N CA 0.232 53.276 53.050 -0.011 0.000 0.959 372 N CB -0.228 38.251 38.487 -0.013 0.000 1.204 372 N HN 0.223 nan 8.380 nan 0.000 0.550 373 T N -0.318 114.231 114.554 -0.009 0.000 2.788 373 T HA -0.122 4.218 4.350 -0.018 0.000 0.268 373 T C 1.008 175.697 174.700 -0.018 0.000 1.044 373 T CA 1.643 63.736 62.100 -0.010 0.000 1.139 373 T CB -0.393 68.470 68.868 -0.008 0.000 0.867 373 T HN 0.560 nan 8.240 nan 0.000 0.454 374 E N 1.186 121.375 120.200 -0.019 0.000 2.153 374 E HA -0.096 4.243 4.350 -0.018 0.000 0.194 374 E C 2.354 178.937 176.600 -0.028 0.000 0.988 374 E CA 0.916 57.302 56.400 -0.024 0.000 0.811 374 E CB -0.161 29.526 29.700 -0.022 0.000 0.746 374 E HN 0.561 nan 8.360 nan 0.000 0.466 375 Q N -0.227 119.558 119.800 -0.026 0.000 2.163 375 Q HA 0.054 4.384 4.340 -0.018 0.000 0.198 375 Q C 2.103 178.086 176.000 -0.028 0.000 0.954 375 Q CA 0.677 56.463 55.803 -0.029 0.000 0.851 375 Q CB 0.090 28.809 28.738 -0.031 0.000 0.928 375 Q HN 0.322 nan 8.270 nan 0.000 0.459 376 I N 0.530 121.087 120.570 -0.022 0.000 2.315 376 I HA -0.267 3.893 4.170 -0.018 0.000 0.248 376 I C 2.400 178.498 176.117 -0.032 0.000 1.117 376 I CA 0.985 62.276 61.300 -0.016 0.000 1.404 376 I CB -0.061 37.936 38.000 -0.004 0.000 1.071 376 I HN 0.209 nan 8.210 nan 0.000 0.419 377 Q N 1.263 121.038 119.800 -0.041 0.000 2.172 377 Q HA -0.083 4.247 4.340 -0.018 0.000 0.200 377 Q C 2.173 178.131 176.000 -0.069 0.000 0.964 377 Q CA 1.771 57.535 55.803 -0.065 0.000 0.855 377 Q CB -0.153 28.550 28.738 -0.060 0.000 0.918 377 Q HN 0.473 nan 8.270 nan 0.000 0.444 378 A N -0.604 122.186 122.820 -0.050 0.000 1.933 378 A HA -0.114 4.195 4.320 -0.018 0.000 0.218 378 A C 2.233 179.791 177.584 -0.044 0.000 1.175 378 A CA 1.497 53.506 52.037 -0.046 0.000 0.628 378 A CB -0.831 18.146 19.000 -0.037 0.000 0.814 378 A HN 0.268 nan 8.150 nan 0.000 0.444 379 V N 0.321 120.213 119.914 -0.038 0.000 2.255 379 V HA -0.299 3.811 4.120 -0.018 0.000 0.247 379 V C 2.449 178.524 176.094 -0.031 0.000 1.051 379 V CA 2.204 64.490 62.300 -0.024 0.000 1.018 379 V CB -0.640 31.177 31.823 -0.011 0.000 0.641 379 V HN 0.591 nan 8.190 nan 0.000 0.445 380 I N 0.236 120.768 120.570 -0.064 0.000 2.127 380 I HA -0.269 3.890 4.170 -0.018 0.000 0.241 380 I C 2.204 178.225 176.117 -0.160 0.000 1.075 380 I CA 1.831 63.044 61.300 -0.144 0.000 1.334 380 I CB -0.617 37.208 38.000 -0.292 0.000 1.040 380 I HN 0.343 nan 8.210 nan 0.000 0.405 381 D N 1.122 121.442 120.400 -0.133 0.000 2.311 381 D HA -0.124 4.506 4.640 -0.018 0.000 0.212 381 D C 1.821 178.090 176.300 -0.051 0.000 0.972 381 D CA 1.210 55.153 54.000 -0.096 0.000 0.887 381 D CB -0.124 40.631 40.800 -0.075 0.000 0.915 381 D HN 0.380 nan 8.370 nan 0.000 0.497 382 A N 0.468 123.266 122.820 -0.036 0.000 2.278 382 A HA -0.003 4.307 4.320 -0.018 0.000 0.212 382 A C 0.423 178.008 177.584 0.003 0.000 1.213 382 A CA -0.168 51.860 52.037 -0.015 0.000 0.840 382 A CB -0.266 18.726 19.000 -0.014 0.000 0.866 382 A HN 0.097 nan 8.150 nan 0.000 0.489 383 N N -1.007 117.700 118.700 0.012 0.000 2.735 383 N HA -0.172 4.557 4.740 -0.018 0.000 0.248 383 N C 0.516 176.060 175.510 0.057 0.000 1.083 383 N CA 1.037 54.117 53.050 0.050 0.000 0.703 383 N CB -1.663 36.850 38.487 0.043 0.000 1.005 383 N HN 0.574 nan 8.380 nan 0.000 0.550 384 L N -0.384 120.871 121.223 0.052 0.000 2.341 384 L HA 0.053 4.383 4.340 -0.018 0.000 0.214 384 L C 2.192 179.106 176.870 0.073 0.000 1.115 384 L CA 0.202 55.072 54.840 0.050 0.000 0.820 384 L CB -0.098 41.980 42.059 0.032 0.000 0.944 384 L HN 0.174 nan 8.230 nan 0.000 0.452 385 I N 0.656 121.298 120.570 0.121 0.000 2.142 385 I HA -0.158 4.001 4.170 -0.018 0.000 0.240 385 I C 0.028 176.187 176.117 0.069 0.000 1.078 385 I CA 1.696 63.075 61.300 0.131 0.000 1.343 385 I CB -2.466 35.697 38.000 0.271 0.000 1.046 385 I HN 0.122 nan 8.210 nan 0.000 0.405 386 P HA -0.138 nan 4.420 nan 0.000 0.214 386 P C -1.193 176.116 177.300 0.016 0.000 1.163 386 P CA 2.284 65.394 63.100 0.017 0.000 0.889 386 P CB -1.397 30.316 31.700 0.023 0.000 0.790 387 P HA -0.106 nan 4.420 nan 0.000 0.220 387 P C 1.491 178.807 177.300 0.027 0.000 1.148 387 P CA 1.056 64.169 63.100 0.023 0.000 0.803 387 P CB -0.339 31.377 31.700 0.026 0.000 0.782 388 L N -0.341 120.903 121.223 0.034 0.000 2.056 388 L HA -0.092 4.238 4.340 -0.018 0.000 0.207 388 L C 2.719 179.606 176.870 0.029 0.000 1.078 388 L CA 1.442 56.306 54.840 0.040 0.000 0.749 388 L CB -1.603 40.486 42.059 0.051 0.000 0.901 388 L HN -0.170 nan 8.230 nan 0.000 0.433 389 V N -0.595 119.328 119.914 0.015 0.000 2.358 389 V HA -0.289 3.821 4.120 -0.018 0.000 0.246 389 V C 2.580 178.672 176.094 -0.004 0.000 1.047 389 V CA 1.686 63.985 62.300 -0.003 0.000 1.035 389 V CB -0.500 31.306 31.823 -0.027 0.000 0.658 389 V HN 0.406 nan 8.190 nan 0.000 0.452 390 K N 0.347 120.746 120.400 -0.001 0.000 2.032 390 K HA -0.162 4.147 4.320 -0.018 0.000 0.209 390 K C 1.974 178.579 176.600 0.008 0.000 1.048 390 K CA 1.763 58.050 56.287 -0.000 0.000 0.927 390 K CB -0.436 32.065 32.500 0.002 0.000 0.712 390 K HN 0.387 nan 8.250 nan 0.000 0.441 391 L N 0.296 121.530 121.223 0.018 0.000 2.083 391 L HA -0.138 4.191 4.340 -0.018 0.000 0.209 391 L C 2.232 179.117 176.870 0.026 0.000 1.083 391 L CA 0.470 55.325 54.840 0.025 0.000 0.752 391 L CB -0.405 41.676 42.059 0.037 0.000 0.899 391 L HN 0.242 nan 8.230 nan 0.000 0.433 392 L N 0.232 121.469 121.223 0.023 0.000 2.362 392 L HA -0.176 4.154 4.340 -0.018 0.000 0.219 392 L C 2.297 179.173 176.870 0.010 0.000 1.134 392 L CA 1.604 56.456 54.840 0.020 0.000 0.807 392 L CB -0.424 41.643 42.059 0.014 0.000 0.927 392 L HN 0.415 nan 8.230 nan 0.000 0.447 393 E N -1.788 118.416 120.200 0.005 0.000 2.340 393 E HA 0.011 4.351 4.350 -0.018 0.000 0.198 393 E C 1.419 178.021 176.600 0.004 0.000 0.961 393 E CA 1.064 57.464 56.400 0.000 0.000 0.905 393 E CB -0.114 29.581 29.700 -0.008 0.000 0.884 393 E HN 0.322 nan 8.360 nan 0.000 0.491 394 V N -2.414 117.505 119.914 0.008 0.000 3.398 394 V HA 0.565 4.674 4.120 -0.018 0.000 0.298 394 V C 0.750 176.853 176.094 0.014 0.000 1.496 394 V CA -0.150 62.155 62.300 0.009 0.000 1.044 394 V CB 0.393 32.220 31.823 0.007 0.000 0.880 394 V HN 0.247 nan 8.190 nan 0.000 0.443 395 A N 0.696 123.527 122.820 0.019 0.000 2.296 395 A HA 0.548 4.857 4.320 -0.018 0.000 0.264 395 A C 0.313 177.911 177.584 0.025 0.000 1.097 395 A CA -0.352 51.699 52.037 0.024 0.000 0.811 395 A CB 0.069 19.088 19.000 0.032 0.000 1.072 395 A HN 0.598 nan 8.150 nan 0.000 0.495 396 E N -0.350 119.866 120.200 0.026 0.000 2.436 396 E HA -0.022 4.318 4.350 -0.018 0.000 0.262 396 E C -0.025 176.593 176.600 0.031 0.000 1.063 396 E CA -0.116 56.300 56.400 0.026 0.000 0.944 396 E CB 0.376 30.091 29.700 0.025 0.000 0.950 396 E HN 0.601 nan 8.360 nan 0.000 0.444 397 D N 2.072 122.490 120.400 0.029 0.000 2.133 397 D HA -0.243 4.386 4.640 -0.018 0.000 0.192 397 D C 1.827 178.155 176.300 0.046 0.000 1.001 397 D CA 1.767 55.788 54.000 0.034 0.000 0.844 397 D CB -0.038 40.779 40.800 0.028 0.000 0.944 397 D HN 0.499 nan 8.370 nan 0.000 0.447 398 K N -0.317 120.108 120.400 0.043 0.000 2.147 398 K HA -0.068 4.242 4.320 -0.018 0.000 0.205 398 K C 1.853 178.493 176.600 0.066 0.000 1.049 398 K CA 1.396 57.713 56.287 0.050 0.000 0.936 398 K CB -0.458 32.061 32.500 0.032 0.000 0.722 398 K HN -0.028 nan 8.250 nan 0.000 0.446 399 T N 1.288 115.878 114.554 0.060 0.000 2.896 399 T HA 0.001 4.340 4.350 -0.018 0.000 0.263 399 T C 1.601 176.351 174.700 0.083 0.000 1.050 399 T CA 0.998 63.140 62.100 0.071 0.000 1.140 399 T CB 0.001 68.903 68.868 0.056 0.000 0.877 399 T HN 0.292 nan 8.240 nan 0.000 0.457 400 K N 1.190 121.631 120.400 0.068 0.000 2.063 400 K HA -0.097 4.213 4.320 -0.018 0.000 0.208 400 K C 2.351 179.005 176.600 0.090 0.000 1.048 400 K CA 1.192 57.517 56.287 0.065 0.000 0.928 400 K CB -0.078 32.448 32.500 0.044 0.000 0.713 400 K HN 0.303 nan 8.250 nan 0.000 0.442 401 K N 0.766 121.233 120.400 0.113 0.000 2.002 401 K HA -0.179 4.130 4.320 -0.018 0.000 0.209 401 K C 2.139 178.920 176.600 0.303 0.000 1.048 401 K CA 1.378 57.766 56.287 0.168 0.000 0.930 401 K CB -0.080 32.534 32.500 0.190 0.000 0.714 401 K HN -0.002 nan 8.250 nan 0.000 0.438 402 E N 0.751 121.118 120.200 0.279 0.000 2.085 402 E HA -0.171 4.169 4.350 -0.018 0.000 0.194 402 E C 1.811 178.574 176.600 0.273 0.000 0.994 402 E CA 1.554 58.141 56.400 0.311 0.000 0.801 402 E CB -0.240 29.591 29.700 0.218 0.000 0.743 402 E HN 0.346 nan 8.360 nan 0.000 0.453 403 A N -0.182 122.747 122.820 0.180 0.000 1.972 403 A HA -0.201 4.108 4.320 -0.018 0.000 0.219 403 A C 2.525 180.185 177.584 0.126 0.000 1.169 403 A CA 1.476 53.594 52.037 0.135 0.000 0.635 403 A CB -1.122 17.932 19.000 0.090 0.000 0.810 403 A HN 0.515 nan 8.150 nan 0.000 0.446 404 C N -1.664 117.702 119.300 0.111 0.000 2.446 404 C HA -0.127 4.323 4.460 -0.018 0.000 0.277 404 C C 2.354 177.364 174.990 0.033 0.000 1.275 404 C CA 1.115 60.151 59.018 0.029 0.000 1.727 404 C CB -1.673 26.041 27.740 -0.042 0.000 2.010 404 C HN 0.739 nan 8.230 nan 0.000 0.486 405 W N 1.130 122.459 121.300 0.048 0.000 2.338 405 W HA -0.103 4.547 4.660 -0.016 0.000 0.304 405 W C 2.729 179.270 176.519 0.036 0.000 1.212 405 W CA 1.954 59.329 57.345 0.049 0.000 1.264 405 W CB -0.633 28.871 29.460 0.074 0.000 1.142 405 W HN 0.431 nan 8.180 nan 0.000 0.512 406 A N 0.043 123.031 122.820 0.281 0.000 1.883 406 A HA -0.205 4.105 4.320 -0.018 0.000 0.217 406 A C 1.862 179.513 177.584 0.113 0.000 1.186 406 A CA 1.972 54.107 52.037 0.162 0.000 0.624 406 A CB -0.952 18.120 19.000 0.119 0.000 0.822 406 A HN 0.306 nan 8.150 nan 0.000 0.444 407 I N -1.121 119.503 120.570 0.090 0.000 2.353 407 I HA -0.156 4.004 4.170 -0.018 0.000 0.248 407 I C 2.824 178.967 176.117 0.043 0.000 1.119 407 I CA 1.292 62.627 61.300 0.058 0.000 1.417 407 I CB -0.125 37.897 38.000 0.038 0.000 1.078 407 I HN 0.398 nan 8.210 nan 0.000 0.421 408 S N 1.045 116.761 115.700 0.027 0.000 2.355 408 S HA -0.185 4.274 4.470 -0.018 0.000 0.222 408 S C 1.921 176.544 174.600 0.039 0.000 1.031 408 S CA 1.696 59.892 58.200 -0.006 0.000 0.993 408 S CB -0.294 62.845 63.200 -0.102 0.000 0.859 408 S HN 0.387 nan 8.310 nan 0.000 0.453 409 N N 2.062 120.823 118.700 0.103 0.000 2.137 409 N HA -0.083 4.647 4.740 -0.018 0.000 0.190 409 N C 1.779 177.330 175.510 0.070 0.000 1.017 409 N CA 1.465 54.585 53.050 0.116 0.000 0.859 409 N CB -0.884 37.695 38.487 0.152 0.000 1.002 409 N HN 0.540 nan 8.380 nan 0.000 0.428 410 A N 0.467 123.324 122.820 0.062 0.000 1.969 410 A HA -0.095 4.215 4.320 -0.018 0.000 0.218 410 A C 2.196 179.805 177.584 0.041 0.000 1.169 410 A CA 1.727 53.794 52.037 0.049 0.000 0.635 410 A CB -0.682 18.351 19.000 0.056 0.000 0.810 410 A HN 0.446 nan 8.150 nan 0.000 0.445 411 S N -0.531 115.191 115.700 0.037 0.000 2.603 411 S HA -0.009 4.450 4.470 -0.018 0.000 0.229 411 S C 1.630 176.243 174.600 0.022 0.000 0.972 411 S CA 1.055 59.271 58.200 0.026 0.000 0.935 411 S CB -0.367 62.842 63.200 0.014 0.000 0.769 411 S HN 0.398 nan 8.310 nan 0.000 0.536 412 S N 1.665 117.382 115.700 0.028 0.000 2.387 412 S HA 0.082 4.542 4.470 -0.018 0.000 0.226 412 S C 1.975 176.588 174.600 0.022 0.000 1.026 412 S CA 1.013 59.229 58.200 0.027 0.000 0.972 412 S CB -0.828 62.393 63.200 0.035 0.000 0.814 412 S HN 0.760 nan 8.310 nan 0.000 0.477 413 G N 0.737 109.550 108.800 0.021 0.000 2.744 413 G HA2 0.132 4.082 3.960 -0.018 0.000 0.211 413 G HA3 0.132 4.082 3.960 -0.018 0.000 0.211 413 G C 1.211 176.120 174.900 0.015 0.000 1.143 413 G CA 0.535 45.644 45.100 0.016 0.000 0.788 413 G HN 0.540 nan 8.290 nan 0.000 0.534 414 G N 0.775 109.587 108.800 0.019 0.000 2.559 414 G HA2 -0.057 3.892 3.960 -0.018 0.000 0.216 414 G HA3 -0.057 3.892 3.960 -0.018 0.000 0.216 414 G C 1.570 176.478 174.900 0.014 0.000 1.126 414 G CA 0.353 45.465 45.100 0.019 0.000 0.778 414 G HN 0.457 nan 8.290 nan 0.000 0.543 415 L N -0.876 120.355 121.223 0.013 0.000 2.209 415 L HA 0.074 4.403 4.340 -0.018 0.000 0.207 415 L C 2.665 179.541 176.870 0.011 0.000 1.094 415 L CA 0.740 55.587 54.840 0.012 0.000 0.790 415 L CB -0.201 41.867 42.059 0.014 0.000 0.932 415 L HN 0.233 nan 8.230 nan 0.000 0.447 416 Q N -0.356 119.450 119.800 0.010 0.000 2.352 416 Q HA 0.138 4.467 4.340 -0.018 0.000 0.212 416 Q C 0.657 176.661 176.000 0.006 0.000 0.888 416 Q CA 0.105 55.912 55.803 0.007 0.000 0.934 416 Q CB 0.725 29.467 28.738 0.005 0.000 1.093 416 Q HN 0.187 nan 8.270 nan 0.000 0.523 417 R N 1.188 121.692 120.500 0.008 0.000 2.797 417 R HA 0.172 4.502 4.340 -0.018 0.000 0.274 417 R C -2.337 173.972 176.300 0.014 0.000 1.652 417 R CA -1.561 54.543 56.100 0.007 0.000 1.175 417 R CB 0.998 31.299 30.300 0.002 0.000 1.283 417 R HN -0.115 nan 8.270 nan 0.000 0.513 418 P HA -0.129 nan 4.420 nan 0.000 0.220 418 P C -0.017 177.302 177.300 0.032 0.000 1.148 418 P CA 1.160 64.272 63.100 0.021 0.000 0.803 418 P CB 0.388 32.098 31.700 0.016 0.000 0.782 419 D N -0.044 120.373 120.400 0.030 0.000 2.228 419 D HA -0.151 4.478 4.640 -0.018 0.000 0.203 419 D C 1.964 178.304 176.300 0.067 0.000 0.988 419 D CA 0.943 54.968 54.000 0.042 0.000 0.864 419 D CB -0.636 40.176 40.800 0.020 0.000 0.928 419 D HN 0.243 nan 8.370 nan 0.000 0.469 420 I N 0.337 120.938 120.570 0.051 0.000 2.163 420 I HA -0.196 3.963 4.170 -0.018 0.000 0.240 420 I C 2.049 178.233 176.117 0.111 0.000 1.081 420 I CA 0.564 61.907 61.300 0.073 0.000 1.353 420 I CB -0.096 37.928 38.000 0.040 0.000 1.054 420 I HN 0.044 nan 8.210 nan 0.000 0.407 421 I N 0.751 121.364 120.570 0.072 0.000 2.226 421 I HA -0.263 3.896 4.170 -0.018 0.000 0.245 421 I C 2.657 178.818 176.117 0.074 0.000 1.100 421 I CA 1.610 62.947 61.300 0.062 0.000 1.374 421 I CB -1.190 36.830 38.000 0.033 0.000 1.057 421 I HN 0.283 nan 8.210 nan 0.000 0.413 422 R N -0.284 120.265 120.500 0.082 0.000 2.091 422 R HA -0.246 4.084 4.340 -0.018 0.000 0.238 422 R C 2.377 178.735 176.300 0.097 0.000 1.136 422 R CA 1.832 57.983 56.100 0.085 0.000 0.959 422 R CB -0.654 29.697 30.300 0.085 0.000 0.856 422 R HN 0.388 nan 8.270 nan 0.000 0.437 423 Y N 1.464 121.771 120.300 0.011 0.000 2.220 423 Y HA -0.119 4.420 4.550 -0.018 0.000 0.291 423 Y C 2.005 177.905 175.900 0.001 0.000 1.129 423 Y CA 1.263 59.367 58.100 0.005 0.000 1.161 423 Y CB -0.218 38.243 38.460 0.003 0.000 0.997 423 Y HN -0.075 nan 8.280 nan 0.000 0.522 424 L N -0.924 120.331 121.223 0.053 0.000 2.042 424 L HA -0.250 4.080 4.340 -0.018 0.000 0.210 424 L C 2.359 179.166 176.870 -0.105 0.000 1.076 424 L CA 1.321 56.138 54.840 -0.037 0.000 0.749 424 L CB -0.864 41.222 42.059 0.044 0.000 0.893 424 L HN 0.147 nan 8.230 nan 0.000 0.432 425 V N -0.169 119.713 119.914 -0.055 0.000 2.295 425 V HA -0.291 3.819 4.120 -0.018 0.000 0.246 425 V C 2.743 178.754 176.094 -0.139 0.000 1.049 425 V CA 2.081 64.348 62.300 -0.055 0.000 1.024 425 V CB -0.650 31.200 31.823 0.044 0.000 0.648 425 V HN 0.660 nan 8.190 nan 0.000 0.447 426 S N -0.416 115.198 115.700 -0.144 0.000 2.419 426 S HA -0.233 4.226 4.470 -0.018 0.000 0.233 426 S C 1.754 176.203 174.600 -0.251 0.000 1.016 426 S CA 1.096 59.189 58.200 -0.178 0.000 0.974 426 S CB -0.391 62.733 63.200 -0.126 0.000 0.786 426 S HN 0.593 nan 8.310 nan 0.000 0.492 427 Q N 0.891 120.485 119.800 -0.343 0.000 2.482 427 Q HA 0.215 4.545 4.340 -0.018 0.000 0.209 427 Q C 1.278 177.161 176.000 -0.194 0.000 0.961 427 Q CA 0.659 56.278 55.803 -0.308 0.000 0.945 427 Q CB -0.371 28.125 28.738 -0.405 0.000 1.012 427 Q HN 0.861 nan 8.270 nan 0.000 0.515 428 G N 1.252 109.941 108.800 -0.185 0.000 2.212 428 G HA2 -0.305 3.644 3.960 -0.018 0.000 0.255 428 G HA3 -0.305 3.644 3.960 -0.018 0.000 0.255 428 G C 0.772 175.606 174.900 -0.111 0.000 1.062 428 G CA 0.310 45.316 45.100 -0.157 0.000 0.815 428 G HN 0.533 nan 8.290 nan 0.000 0.497 429 C N -1.743 117.499 119.300 -0.096 0.000 2.594 429 C HA 0.537 4.987 4.460 -0.018 0.000 0.265 429 C C 2.459 177.424 174.990 -0.042 0.000 1.351 429 C CA 0.585 59.569 59.018 -0.058 0.000 1.744 429 C CB -0.896 26.819 27.740 -0.043 0.000 1.890 429 C HN 0.530 nan 8.230 nan 0.000 0.551 430 I N 1.783 122.325 120.570 -0.046 0.000 2.099 430 I HA -0.213 3.947 4.170 -0.018 0.000 0.239 430 I C 2.949 179.056 176.117 -0.017 0.000 1.066 430 I CA 2.090 63.380 61.300 -0.017 0.000 1.324 430 I CB -0.497 37.507 38.000 0.006 0.000 1.037 430 I HN 0.335 nan 8.210 nan 0.000 0.401 431 K N 0.706 121.085 120.400 -0.034 0.000 2.020 431 K HA -0.189 4.121 4.320 -0.018 0.000 0.212 431 K C -0.576 176.012 176.600 -0.021 0.000 1.050 431 K CA 2.002 58.273 56.287 -0.026 0.000 0.929 431 K CB -0.916 31.561 32.500 -0.038 0.000 0.714 431 K HN 0.166 nan 8.250 nan 0.000 0.443 432 P HA -0.149 nan 4.420 nan 0.000 0.216 432 P C 1.146 178.437 177.300 -0.015 0.000 1.150 432 P CA 1.199 64.288 63.100 -0.018 0.000 0.837 432 P CB 0.038 31.727 31.700 -0.018 0.000 0.786 433 L N -1.314 119.898 121.223 -0.018 0.000 1.994 433 L HA -0.203 4.126 4.340 -0.018 0.000 0.208 433 L C 2.633 179.493 176.870 -0.017 0.000 1.071 433 L CA 1.573 56.401 54.840 -0.021 0.000 0.745 433 L CB -1.308 40.738 42.059 -0.022 0.000 0.892 433 L HN 0.051 nan 8.230 nan 0.000 0.431 434 C N 0.111 119.405 119.300 -0.010 0.000 2.398 434 C HA -0.207 4.243 4.460 -0.018 0.000 0.276 434 C C 2.393 177.378 174.990 -0.008 0.000 1.222 434 C CA 0.883 59.898 59.018 -0.006 0.000 1.746 434 C CB -0.883 26.857 27.740 0.000 0.000 2.039 434 C HN 0.555 nan 8.230 nan 0.000 0.470 435 D N 0.151 120.546 120.400 -0.009 0.000 2.263 435 D HA -0.082 4.548 4.640 -0.018 0.000 0.208 435 D C 1.680 177.977 176.300 -0.006 0.000 0.971 435 D CA 0.749 54.745 54.000 -0.007 0.000 0.867 435 D CB -0.369 40.427 40.800 -0.007 0.000 0.929 435 D HN 0.367 nan 8.370 nan 0.000 0.492 436 L N 0.187 121.404 121.223 -0.010 0.000 2.492 436 L HA 0.109 4.438 4.340 -0.018 0.000 0.223 436 L C 1.791 178.652 176.870 -0.015 0.000 1.132 436 L CA 0.496 55.330 54.840 -0.011 0.000 0.850 436 L CB -0.039 42.010 42.059 -0.018 0.000 0.966 436 L HN -0.035 nan 8.230 nan 0.000 0.454 437 L N -0.848 120.366 121.223 -0.014 0.000 2.362 437 L HA -0.137 4.193 4.340 -0.018 0.000 0.219 437 L C 1.754 178.620 176.870 -0.008 0.000 1.134 437 L CA 0.943 55.774 54.840 -0.014 0.000 0.807 437 L CB -0.238 41.815 42.059 -0.010 0.000 0.927 437 L HN 0.372 nan 8.230 nan 0.000 0.447 438 E N -0.424 119.773 120.200 -0.004 0.000 2.474 438 E HA 0.026 4.366 4.350 -0.018 0.000 0.195 438 E C 0.433 177.033 176.600 0.001 0.000 1.039 438 E CA -0.401 55.998 56.400 -0.001 0.000 0.881 438 E CB 0.508 30.209 29.700 0.002 0.000 0.970 438 E HN 0.180 nan 8.360 nan 0.000 0.486 439 I N 1.570 122.140 120.570 0.001 0.000 2.932 439 I HA -0.140 4.020 4.170 -0.018 0.000 0.295 439 I C 0.333 176.454 176.117 0.006 0.000 1.227 439 I CA 0.097 61.400 61.300 0.005 0.000 1.429 439 I CB 0.769 38.773 38.000 0.006 0.000 1.339 439 I HN -0.073 nan 8.210 nan 0.000 0.589 440 A N 6.163 128.989 122.820 0.010 0.000 3.091 440 A HA 0.338 4.648 4.320 -0.018 0.000 0.264 440 A C -0.315 177.279 177.584 0.016 0.000 1.673 440 A CA -0.111 51.933 52.037 0.011 0.000 1.362 440 A CB -0.862 18.144 19.000 0.010 0.000 1.137 440 A HN 0.630 nan 8.150 nan 0.000 0.617 441 D N 0.356 120.767 120.400 0.017 0.000 2.452 441 D HA 0.108 4.737 4.640 -0.018 0.000 0.226 441 D C 0.002 176.314 176.300 0.020 0.000 1.366 441 D CA -0.448 53.568 54.000 0.026 0.000 0.986 441 D CB 0.676 41.499 40.800 0.039 0.000 1.420 441 D HN 0.165 nan 8.370 nan 0.000 0.583 442 N N 2.294 121.008 118.700 0.023 0.000 2.309 442 N HA -0.138 4.591 4.740 -0.018 0.000 0.182 442 N C 1.600 177.121 175.510 0.019 0.000 1.018 442 N CA 0.571 53.632 53.050 0.018 0.000 0.876 442 N CB 0.092 38.593 38.487 0.023 0.000 0.972 442 N HN 0.373 nan 8.380 nan 0.000 0.434 443 R N 1.098 121.625 120.500 0.045 0.000 2.081 443 R HA 0.046 4.376 4.340 -0.018 0.000 0.235 443 R C 1.884 178.177 176.300 -0.011 0.000 1.131 443 R CA 0.931 57.074 56.100 0.072 0.000 0.960 443 R CB -0.325 30.072 30.300 0.160 0.000 0.856 443 R HN 0.111 nan 8.270 nan 0.000 0.436 444 I N 0.063 120.618 120.570 -0.025 0.000 2.406 444 I HA -0.129 4.030 4.170 -0.018 0.000 0.249 444 I C 2.186 178.221 176.117 -0.137 0.000 1.122 444 I CA 0.898 62.119 61.300 -0.130 0.000 1.431 444 I CB -0.799 37.169 38.000 -0.053 0.000 1.087 444 I HN 0.169 nan 8.210 nan 0.000 0.424 445 I N 0.921 121.450 120.570 -0.069 0.000 2.151 445 I HA -0.350 3.809 4.170 -0.018 0.000 0.243 445 I C 2.613 178.684 176.117 -0.077 0.000 1.080 445 I CA 1.644 62.910 61.300 -0.057 0.000 1.339 445 I CB -0.273 37.712 38.000 -0.024 0.000 1.039 445 I HN 0.307 nan 8.210 nan 0.000 0.409 446 E N 0.516 120.669 120.200 -0.079 0.000 2.077 446 E HA -0.191 4.148 4.350 -0.018 0.000 0.193 446 E C 2.303 178.816 176.600 -0.145 0.000 0.989 446 E CA 1.420 57.773 56.400 -0.079 0.000 0.800 446 E CB 0.149 29.822 29.700 -0.045 0.000 0.746 446 E HN 0.278 nan 8.360 nan 0.000 0.452 447 V N 0.754 120.504 119.914 -0.273 0.000 2.490 447 V HA -0.246 3.863 4.120 -0.018 0.000 0.250 447 V C 2.286 178.217 176.094 -0.272 0.000 1.061 447 V CA 2.108 64.157 62.300 -0.418 0.000 1.064 447 V CB -0.641 30.657 31.823 -0.876 0.000 0.670 447 V HN 0.370 nan 8.190 nan 0.000 0.461 448 T N 0.275 114.706 114.554 -0.205 0.000 2.770 448 T HA -0.058 4.282 4.350 -0.018 0.000 0.263 448 T C 1.896 176.548 174.700 -0.080 0.000 1.039 448 T CA 1.328 63.352 62.100 -0.128 0.000 1.142 448 T CB -0.254 68.555 68.868 -0.098 0.000 0.868 448 T HN 0.292 nan 8.240 nan 0.000 0.435 449 L N 0.999 122.184 121.223 -0.064 0.000 2.131 449 L HA -0.123 4.207 4.340 -0.018 0.000 0.210 449 L C 2.467 179.320 176.870 -0.029 0.000 1.092 449 L CA 1.064 55.887 54.840 -0.029 0.000 0.759 449 L CB -0.596 41.455 42.059 -0.013 0.000 0.903 449 L HN 0.191 nan 8.230 nan 0.000 0.435 450 D N 0.286 120.655 120.400 -0.052 0.000 2.117 450 D HA -0.168 4.462 4.640 -0.018 0.000 0.197 450 D C 2.235 178.510 176.300 -0.041 0.000 0.987 450 D CA 1.569 55.544 54.000 -0.042 0.000 0.829 450 D CB 0.012 40.777 40.800 -0.058 0.000 0.961 450 D HN 0.316 nan 8.370 nan 0.000 0.460 451 A N 0.740 123.525 122.820 -0.059 0.000 1.877 451 A HA -0.129 4.180 4.320 -0.018 0.000 0.216 451 A C 2.425 179.987 177.584 -0.037 0.000 1.186 451 A CA 0.981 52.991 52.037 -0.045 0.000 0.620 451 A CB -0.806 18.162 19.000 -0.054 0.000 0.822 451 A HN 0.215 nan 8.150 nan 0.000 0.443 452 L N -0.883 120.319 121.223 -0.034 0.000 2.141 452 L HA -0.166 4.164 4.340 -0.018 0.000 0.209 452 L C 2.583 179.414 176.870 -0.066 0.000 1.094 452 L CA 1.675 56.498 54.840 -0.029 0.000 0.763 452 L CB -0.395 41.664 42.059 0.001 0.000 0.908 452 L HN 0.670 nan 8.230 nan 0.000 0.437 453 E N 0.347 120.516 120.200 -0.052 0.000 2.072 453 E HA -0.197 4.143 4.350 -0.018 0.000 0.190 453 E C 1.951 178.491 176.600 -0.100 0.000 0.982 453 E CA 1.080 57.436 56.400 -0.073 0.000 0.803 453 E CB 0.092 29.800 29.700 0.013 0.000 0.755 453 E HN 0.340 nan 8.360 nan 0.000 0.453 454 N N 0.871 119.539 118.700 -0.054 0.000 2.061 454 N HA -0.187 4.543 4.740 -0.018 0.000 0.193 454 N C 1.955 177.424 175.510 -0.069 0.000 1.030 454 N CA 1.532 54.556 53.050 -0.043 0.000 0.856 454 N CB -0.296 38.179 38.487 -0.018 0.000 1.023 454 N HN 0.325 nan 8.380 nan 0.000 0.424 455 I N 0.768 121.293 120.570 -0.075 0.000 2.226 455 I HA -0.238 3.921 4.170 -0.018 0.000 0.245 455 I C 2.036 178.064 176.117 -0.148 0.000 1.100 455 I CA 0.850 62.107 61.300 -0.072 0.000 1.374 455 I CB -0.176 37.801 38.000 -0.038 0.000 1.057 455 I HN 0.073 nan 8.210 nan 0.000 0.413 456 L N 0.268 121.318 121.223 -0.288 0.000 2.072 456 L HA -0.187 4.143 4.340 -0.018 0.000 0.205 456 L C 2.538 179.098 176.870 -0.517 0.000 1.079 456 L CA 1.367 55.860 54.840 -0.579 0.000 0.752 456 L CB -0.491 40.878 42.059 -1.149 0.000 0.906 456 L HN 0.115 nan 8.230 nan 0.000 0.436 457 K N -0.559 119.648 120.400 -0.320 0.000 2.063 457 K HA -0.219 4.091 4.320 -0.018 0.000 0.208 457 K C 2.155 178.739 176.600 -0.027 0.000 1.048 457 K CA 1.423 57.682 56.287 -0.046 0.000 0.928 457 K CB -0.149 32.360 32.500 0.015 0.000 0.713 457 K HN 0.206 nan 8.250 nan 0.000 0.442 458 M N 0.181 119.750 119.600 -0.053 0.000 2.200 458 M HA -0.060 4.409 4.480 -0.018 0.000 0.265 458 M C 1.984 178.264 176.300 -0.034 0.000 1.066 458 M CA 1.549 56.833 55.300 -0.026 0.000 1.127 458 M CB -0.587 32.003 32.600 -0.017 0.000 1.379 458 M HN 0.208 nan 8.290 nan 0.000 0.420 459 G N -0.319 108.440 108.800 -0.068 0.000 2.432 459 G HA2 -0.256 3.693 3.960 -0.018 0.000 0.219 459 G HA3 -0.256 3.693 3.960 -0.018 0.000 0.219 459 G C 1.343 176.210 174.900 -0.055 0.000 1.135 459 G CA 1.156 46.211 45.100 -0.074 0.000 0.767 459 G HN 0.542 nan 8.290 nan 0.000 0.550 460 E N 0.653 120.838 120.200 -0.026 0.000 2.076 460 E HA 0.187 4.526 4.350 -0.018 0.000 0.190 460 E C 2.642 179.254 176.600 0.019 0.000 0.979 460 E CA 1.138 57.559 56.400 0.036 0.000 0.807 460 E CB -0.396 29.417 29.700 0.188 0.000 0.761 460 E HN 0.236 nan 8.360 nan 0.000 0.454 461 A N 0.721 123.552 122.820 0.017 0.000 2.015 461 A HA -0.181 4.129 4.320 -0.018 0.000 0.219 461 A C 2.080 179.663 177.584 -0.001 0.000 1.163 461 A CA 1.627 53.669 52.037 0.009 0.000 0.646 461 A CB -0.613 18.394 19.000 0.012 0.000 0.806 461 A HN 0.385 nan 8.150 nan 0.000 0.448 462 D N 0.385 120.780 120.400 -0.007 0.000 2.117 462 D HA -0.180 4.450 4.640 -0.018 0.000 0.198 462 D C 1.952 178.243 176.300 -0.016 0.000 0.982 462 D CA 1.722 55.715 54.000 -0.011 0.000 0.828 462 D CB 0.026 40.817 40.800 -0.016 0.000 0.967 462 D HN 0.716 nan 8.370 nan 0.000 0.464 463 K N 0.182 120.569 120.400 -0.022 0.000 2.228 463 K HA -0.005 4.304 4.320 -0.018 0.000 0.202 463 K C 1.754 178.343 176.600 -0.020 0.000 1.051 463 K CA 0.701 56.972 56.287 -0.026 0.000 0.960 463 K CB 0.068 32.546 32.500 -0.038 0.000 0.743 463 K HN -0.067 nan 8.250 nan 0.000 0.458 464 E N 1.201 121.393 120.200 -0.014 0.000 2.158 464 E HA -0.033 4.306 4.350 -0.018 0.000 0.191 464 E C 2.099 178.693 176.600 -0.010 0.000 0.982 464 E CA 1.080 57.473 56.400 -0.012 0.000 0.823 464 E CB -0.009 29.685 29.700 -0.009 0.000 0.766 464 E HN 0.487 nan 8.360 nan 0.000 0.468 465 A N 2.000 124.816 122.820 -0.008 0.000 1.969 465 A HA -0.140 4.170 4.320 -0.018 0.000 0.218 465 A C 1.769 179.349 177.584 -0.007 0.000 1.169 465 A CA 1.096 53.130 52.037 -0.006 0.000 0.635 465 A CB -0.239 18.759 19.000 -0.003 0.000 0.810 465 A HN 0.201 nan 8.150 nan 0.000 0.445 466 R N -1.686 118.809 120.500 -0.009 0.000 2.903 466 R HA 0.418 4.747 4.340 -0.018 0.000 0.363 466 R C 0.652 176.945 176.300 -0.012 0.000 1.161 466 R CA 0.132 56.227 56.100 -0.009 0.000 1.109 466 R CB -0.863 29.432 30.300 -0.008 0.000 1.399 466 R HN 0.478 nan 8.270 nan 0.000 0.587 467 G N 1.455 110.248 108.800 -0.013 0.000 2.439 467 G HA2 -0.269 3.680 3.960 -0.018 0.000 0.305 467 G HA3 -0.269 3.680 3.960 -0.018 0.000 0.305 467 G C 0.158 175.047 174.900 -0.018 0.000 0.966 467 G CA 0.319 45.410 45.100 -0.015 0.000 0.890 467 G HN 0.363 nan 8.290 nan 0.000 0.513 468 L N -0.630 120.580 121.223 -0.021 0.000 2.468 468 L HA 0.315 4.645 4.340 -0.018 0.000 0.254 468 L C 1.321 178.174 176.870 -0.030 0.000 1.171 468 L CA 0.238 55.062 54.840 -0.026 0.000 0.809 468 L CB 0.945 42.985 42.059 -0.032 0.000 1.155 468 L HN 0.329 nan 8.230 nan 0.000 0.473 469 N N 0.575 119.256 118.700 -0.033 0.000 2.214 469 N HA 0.247 4.977 4.740 -0.018 0.000 0.214 469 N C -0.545 174.939 175.510 -0.043 0.000 1.132 469 N CA -0.072 52.957 53.050 -0.035 0.000 0.856 469 N CB 0.553 39.023 38.487 -0.029 0.000 1.020 469 N HN 0.472 nan 8.380 nan 0.000 0.509 470 I N -3.064 117.474 120.570 -0.053 0.000 2.686 470 I HA 0.428 4.587 4.170 -0.018 0.000 0.295 470 I C -1.260 174.805 176.117 -0.088 0.000 1.114 470 I CA -1.158 60.099 61.300 -0.070 0.000 1.038 470 I CB 1.789 39.744 38.000 -0.076 0.000 1.238 470 I HN -0.220 nan 8.210 nan 0.000 0.420 471 N N 4.286 122.923 118.700 -0.105 0.000 2.469 471 N HA 0.157 4.887 4.740 -0.018 0.000 0.239 471 N C 0.604 175.995 175.510 -0.200 0.000 1.053 471 N CA 0.133 53.106 53.050 -0.128 0.000 0.937 471 N CB 0.990 39.406 38.487 -0.118 0.000 1.163 471 N HN 0.748 nan 8.380 nan 0.000 0.509 472 E N 2.076 122.129 120.200 -0.246 0.000 2.130 472 E HA -0.207 4.132 4.350 -0.018 0.000 0.196 472 E C 0.692 176.901 176.600 -0.651 0.000 0.998 472 E CA 1.120 57.241 56.400 -0.465 0.000 0.806 472 E CB 0.249 29.694 29.700 -0.424 0.000 0.738 472 E HN 0.556 nan 8.360 nan 0.000 0.459 473 N N 0.470 118.975 118.700 -0.325 0.000 2.171 473 N HA -0.091 4.639 4.740 -0.018 0.000 0.184 473 N C 1.697 177.165 175.510 -0.069 0.000 1.021 473 N CA 1.153 54.123 53.050 -0.134 0.000 0.854 473 N CB -0.402 38.054 38.487 -0.052 0.000 0.994 473 N HN 0.119 nan 8.380 nan 0.000 0.426 474 A N 1.310 124.049 122.820 -0.135 0.000 1.917 474 A HA -0.185 4.124 4.320 -0.018 0.000 0.219 474 A C 1.777 179.438 177.584 0.128 0.000 1.182 474 A CA 1.822 53.823 52.037 -0.060 0.000 0.633 474 A CB -0.478 18.332 19.000 -0.317 0.000 0.819 474 A HN 0.144 nan 8.150 nan 0.000 0.448 475 D N -1.119 119.256 120.400 -0.042 0.000 2.183 475 D HA -0.042 4.587 4.640 -0.018 0.000 0.203 475 D C 1.703 178.063 176.300 0.100 0.000 0.969 475 D CA 0.763 54.760 54.000 -0.005 0.000 0.842 475 D CB -0.384 40.334 40.800 -0.137 0.000 0.957 475 D HN 0.630 nan 8.370 nan 0.000 0.484 476 F N 0.642 120.622 119.950 0.049 0.000 2.134 476 F HA -0.096 4.420 4.527 -0.018 0.000 0.299 476 F C 2.410 178.234 175.800 0.041 0.000 1.097 476 F CA 0.268 58.286 58.000 0.030 0.000 1.264 476 F CB -0.080 38.925 39.000 0.009 0.000 1.001 476 F HN -0.088 nan 8.300 nan 0.000 0.479 477 I N -0.043 120.690 120.570 0.272 0.000 2.315 477 I HA -0.256 3.903 4.170 -0.018 0.000 0.248 477 I C 2.445 178.629 176.117 0.112 0.000 1.117 477 I CA 1.303 62.716 61.300 0.188 0.000 1.404 477 I CB -0.394 37.754 38.000 0.245 0.000 1.071 477 I HN 0.197 nan 8.210 nan 0.000 0.419 478 E N 1.377 121.664 120.200 0.144 0.000 2.047 478 E HA -0.216 4.123 4.350 -0.018 0.000 0.191 478 E C 1.998 178.619 176.600 0.036 0.000 0.987 478 E CA 1.063 57.488 56.400 0.041 0.000 0.799 478 E CB 0.144 29.915 29.700 0.118 0.000 0.752 478 E HN 0.355 nan 8.360 nan 0.000 0.449 479 K N -0.412 120.040 120.400 0.085 0.000 2.442 479 K HA -0.028 4.281 4.320 -0.018 0.000 0.198 479 K C 1.341 177.969 176.600 0.047 0.000 1.042 479 K CA 0.645 56.974 56.287 0.070 0.000 0.958 479 K CB 0.228 32.794 32.500 0.110 0.000 0.766 479 K HN 0.051 nan 8.250 nan 0.000 0.474 480 A N 0.230 123.078 122.820 0.045 0.000 2.387 480 A HA 0.284 4.593 4.320 -0.018 0.000 0.234 480 A C 1.104 178.690 177.584 0.003 0.000 1.253 480 A CA 0.443 52.493 52.037 0.020 0.000 0.894 480 A CB 0.005 19.019 19.000 0.023 0.000 0.963 480 A HN 0.312 nan 8.150 nan 0.000 0.508 481 G N -1.413 107.383 108.800 -0.007 0.000 2.160 481 G HA2 -0.190 3.759 3.960 -0.018 0.000 0.251 481 G HA3 -0.190 3.759 3.960 -0.018 0.000 0.251 481 G C 1.026 175.907 174.900 -0.033 0.000 1.008 481 G CA 0.519 45.605 45.100 -0.023 0.000 0.724 481 G HN 1.247 nan 8.290 nan 0.000 0.514 482 G N -0.682 108.094 108.800 -0.039 0.000 2.683 482 G HA2 0.247 4.197 3.960 -0.018 0.000 0.213 482 G HA3 0.247 4.197 3.960 -0.018 0.000 0.213 482 G C 1.482 176.312 174.900 -0.116 0.000 1.142 482 G CA 1.241 46.314 45.100 -0.044 0.000 0.793 482 G HN 0.554 nan 8.290 nan 0.000 0.534 483 M N 1.073 120.535 119.600 -0.230 0.000 2.077 483 M HA -0.040 4.429 4.480 -0.018 0.000 0.261 483 M C 2.689 178.881 176.300 -0.181 0.000 1.070 483 M CA 2.102 57.143 55.300 -0.430 0.000 1.125 483 M CB -0.141 32.079 32.600 -0.633 0.000 1.339 483 M HN 0.443 nan 8.290 nan 0.000 0.409 484 E N 0.351 120.490 120.200 -0.102 0.000 2.070 484 E HA -0.257 4.082 4.350 -0.018 0.000 0.197 484 E C 1.743 178.394 176.600 0.084 0.000 1.004 484 E CA 1.497 57.907 56.400 0.016 0.000 0.805 484 E CB -0.622 29.077 29.700 -0.002 0.000 0.744 484 E HN 0.468 nan 8.360 nan 0.000 0.451 485 K N 0.609 121.022 120.400 0.022 0.000 2.057 485 K HA -0.084 4.226 4.320 -0.018 0.000 0.207 485 K C 2.311 178.925 176.600 0.023 0.000 1.049 485 K CA 1.313 57.613 56.287 0.022 0.000 0.931 485 K CB -0.270 32.231 32.500 0.002 0.000 0.714 485 K HN 0.303 nan 8.250 nan 0.000 0.440 486 I N 0.465 121.045 120.570 0.016 0.000 2.315 486 I HA -0.232 3.928 4.170 -0.018 0.000 0.248 486 I C 2.335 178.488 176.117 0.059 0.000 1.117 486 I CA 0.750 62.066 61.300 0.028 0.000 1.404 486 I CB -0.247 37.768 38.000 0.025 0.000 1.071 486 I HN -0.026 nan 8.210 nan 0.000 0.419 487 F N 2.438 122.357 119.950 -0.051 0.000 2.134 487 F HA -0.235 4.281 4.527 -0.017 0.000 0.299 487 F C 2.046 177.858 175.800 0.020 0.000 1.097 487 F CA 1.820 59.808 58.000 -0.021 0.000 1.264 487 F CB -0.541 38.431 39.000 -0.047 0.000 1.001 487 F HN 0.049 nan 8.300 nan 0.000 0.479 488 N N -0.389 118.229 118.700 -0.136 0.000 2.309 488 N HA -0.159 4.570 4.740 -0.018 0.000 0.182 488 N C 1.800 177.227 175.510 -0.139 0.000 1.018 488 N CA 1.393 54.327 53.050 -0.193 0.000 0.876 488 N CB -0.848 37.622 38.487 -0.029 0.000 0.972 488 N HN 0.319 nan 8.380 nan 0.000 0.434 489 C N 1.402 120.658 119.300 -0.072 0.000 2.409 489 C HA -0.100 4.349 4.460 -0.018 0.000 0.288 489 C C 2.238 177.228 174.990 0.000 0.000 1.395 489 C CA 0.563 59.566 59.018 -0.025 0.000 1.792 489 C CB -1.412 26.327 27.740 -0.001 0.000 1.847 489 C HN 0.600 nan 8.230 nan 0.000 0.534 490 Q N -0.048 119.724 119.800 -0.048 0.000 2.444 490 Q HA -0.042 4.288 4.340 -0.018 0.000 0.206 490 Q C 1.134 177.184 176.000 0.083 0.000 0.948 490 Q CA 0.853 56.737 55.803 0.136 0.000 0.946 490 Q CB -0.272 28.576 28.738 0.184 0.000 1.027 490 Q HN 0.627 nan 8.270 nan 0.000 0.513 491 Q N 0.952 120.720 119.800 -0.053 0.000 2.220 491 Q HA 0.186 4.516 4.340 -0.018 0.000 0.205 491 Q C -0.539 175.438 176.000 -0.040 0.000 0.865 491 Q CA -0.233 55.529 55.803 -0.070 0.000 0.960 491 Q CB 0.607 29.284 28.738 -0.102 0.000 1.097 491 Q HN 0.404 nan 8.270 nan 0.000 0.493 492 N N 0.404 119.101 118.700 -0.004 0.000 2.515 492 N HA -0.024 4.705 4.740 -0.018 0.000 0.279 492 N C 0.975 176.485 175.510 -0.000 0.000 1.164 492 N CA -0.049 53.004 53.050 0.004 0.000 0.982 492 N CB 0.833 39.335 38.487 0.025 0.000 1.170 492 N HN 0.188 nan 8.380 nan 0.000 0.474 493 E N 1.654 121.850 120.200 -0.007 0.000 2.216 493 E HA -0.170 4.170 4.350 -0.018 0.000 0.192 493 E C 0.052 176.652 176.600 -0.000 0.000 0.988 493 E CA 0.358 56.748 56.400 -0.016 0.000 0.834 493 E CB -0.026 29.666 29.700 -0.014 0.000 0.772 493 E HN 0.438 nan 8.360 nan 0.000 0.479 494 N N 1.542 120.254 118.700 0.021 0.000 2.452 494 N HA -0.058 4.671 4.740 -0.018 0.000 0.266 494 N C -0.228 175.323 175.510 0.069 0.000 1.209 494 N CA 0.136 53.207 53.050 0.036 0.000 0.929 494 N CB 1.076 39.585 38.487 0.036 0.000 1.063 494 N HN 0.097 nan 8.380 nan 0.000 0.472 495 D N 3.000 123.439 120.400 0.065 0.000 2.144 495 D HA -0.142 4.487 4.640 -0.018 0.000 0.199 495 D C 1.528 177.925 176.300 0.160 0.000 0.984 495 D CA 1.146 55.218 54.000 0.121 0.000 0.834 495 D CB 0.281 41.125 40.800 0.073 0.000 0.955 495 D HN 0.557 nan 8.370 nan 0.000 0.465 496 K N 0.349 120.804 120.400 0.091 0.000 2.097 496 K HA -0.087 4.223 4.320 -0.018 0.000 0.205 496 K C 1.964 178.598 176.600 0.057 0.000 1.050 496 K CA 0.516 56.842 56.287 0.065 0.000 0.938 496 K CB 0.016 32.543 32.500 0.046 0.000 0.718 496 K HN 0.105 nan 8.250 nan 0.000 0.442 497 I N 0.652 121.262 120.570 0.067 0.000 2.202 497 I HA -0.280 3.879 4.170 -0.018 0.000 0.242 497 I C 2.413 178.569 176.117 0.066 0.000 1.091 497 I CA 1.209 62.541 61.300 0.053 0.000 1.368 497 I CB -1.414 36.616 38.000 0.050 0.000 1.058 497 I HN 0.195 nan 8.210 nan 0.000 0.410 498 Y N 2.182 122.486 120.300 0.007 0.000 2.128 498 Y HA -0.283 4.257 4.550 -0.018 0.000 0.284 498 Y C 2.678 178.613 175.900 0.059 0.000 1.154 498 Y CA 2.292 60.401 58.100 0.014 0.000 1.149 498 Y CB -0.557 37.894 38.460 -0.015 0.000 0.976 498 Y HN 0.272 nan 8.280 nan 0.000 0.505 499 E N 0.349 120.370 120.200 -0.299 0.000 2.058 499 E HA -0.269 4.070 4.350 -0.018 0.000 0.194 499 E C 2.361 178.868 176.600 -0.157 0.000 0.997 499 E CA 1.636 57.827 56.400 -0.349 0.000 0.801 499 E CB -0.273 29.387 29.700 -0.068 0.000 0.746 499 E HN 0.513 nan 8.360 nan 0.000 0.450 500 K N -0.286 120.078 120.400 -0.060 0.000 2.097 500 K HA -0.121 4.188 4.320 -0.018 0.000 0.205 500 K C 2.028 178.635 176.600 0.012 0.000 1.050 500 K CA 1.009 57.295 56.287 -0.001 0.000 0.938 500 K CB -0.121 32.386 32.500 0.011 0.000 0.718 500 K HN 0.191 nan 8.250 nan 0.000 0.442 501 A N 0.321 123.132 122.820 -0.015 0.000 1.898 501 A HA -0.191 4.118 4.320 -0.018 0.000 0.216 501 A C 2.010 179.605 177.584 0.017 0.000 1.181 501 A CA 1.282 53.327 52.037 0.014 0.000 0.620 501 A CB -0.838 18.164 19.000 0.005 0.000 0.819 501 A HN 0.542 nan 8.150 nan 0.000 0.442 502 Y N 0.750 120.917 120.300 -0.221 0.000 2.097 502 Y HA -0.275 4.264 4.550 -0.018 0.000 0.282 502 Y C 2.382 178.235 175.900 -0.077 0.000 1.152 502 Y CA 2.560 60.536 58.100 -0.206 0.000 1.136 502 Y CB -0.244 37.926 38.460 -0.484 0.000 0.975 502 Y HN 0.299 nan 8.280 nan 0.000 0.498 503 K N 0.360 120.792 120.400 0.054 0.000 2.063 503 K HA -0.208 4.102 4.320 -0.018 0.000 0.208 503 K C 2.038 178.631 176.600 -0.011 0.000 1.048 503 K CA 2.144 58.439 56.287 0.014 0.000 0.928 503 K CB -0.428 32.115 32.500 0.073 0.000 0.713 503 K HN 0.508 nan 8.250 nan 0.000 0.442 504 I N 1.148 121.774 120.570 0.094 0.000 2.286 504 I HA -0.262 3.897 4.170 -0.018 0.000 0.248 504 I C 2.006 178.300 176.117 0.295 0.000 1.115 504 I CA 0.685 62.140 61.300 0.257 0.000 1.392 504 I CB -0.097 38.055 38.000 0.254 0.000 1.065 504 I HN 0.224 nan 8.210 nan 0.000 0.418 505 I N 0.371 121.040 120.570 0.165 0.000 2.617 505 I HA -0.192 3.968 4.170 -0.018 0.000 0.256 505 I C 2.399 178.536 176.117 0.032 0.000 1.167 505 I CA 1.302 62.721 61.300 0.198 0.000 1.469 505 I CB -0.914 37.153 38.000 0.112 0.000 1.098 505 I HN 0.376 nan 8.210 nan 0.000 0.436 506 E N 0.866 120.966 120.200 -0.167 0.000 2.042 506 E HA -0.124 4.216 4.350 -0.018 0.000 0.189 506 E C 2.052 178.524 176.600 -0.213 0.000 0.974 506 E CA 1.400 57.657 56.400 -0.238 0.000 0.806 506 E CB 0.179 29.640 29.700 -0.399 0.000 0.769 506 E HN 0.267 nan 8.360 nan 0.000 0.451 507 T N -0.339 114.038 114.554 -0.295 0.000 2.674 507 T HA -0.141 4.199 4.350 -0.018 0.000 0.265 507 T C 1.062 175.351 174.700 -0.685 0.000 1.039 507 T CA 1.590 63.356 62.100 -0.556 0.000 1.150 507 T CB -0.304 68.071 68.868 -0.822 0.000 0.864 507 T HN 0.310 nan 8.240 nan 0.000 0.427 508 Y N -1.201 118.952 120.300 -0.245 0.000 2.444 508 Y HA 0.422 4.961 4.550 -0.018 0.000 0.249 508 Y C 0.543 175.939 175.900 -0.839 0.000 1.134 508 Y CA -0.569 57.209 58.100 -0.537 0.000 1.261 508 Y CB 0.375 38.438 38.460 -0.662 0.000 1.143 508 Y HN 0.128 nan 8.280 nan 0.000 0.523 509 F N -0.752 119.219 119.950 0.034 0.000 2.749 509 F HA 0.437 4.953 4.527 -0.018 0.000 0.380 509 F C 1.430 177.203 175.800 -0.044 0.000 1.365 509 F CA -0.787 57.214 58.000 0.001 0.000 1.186 509 F CB 0.118 39.125 39.000 0.012 0.000 1.080 509 F HN -0.027 nan 8.300 nan 0.000 0.513 510 G N 0.359 109.164 108.800 0.007 0.000 2.630 510 G HA2 -0.159 3.790 3.960 -0.018 0.000 0.195 510 G HA3 -0.159 3.790 3.960 -0.018 0.000 0.195 510 G C 1.073 175.967 174.900 -0.009 0.000 1.493 510 G CA 0.182 45.266 45.100 -0.026 0.000 0.890 510 G HN 0.363 nan 8.290 nan 0.000 0.475 511 E N 0.205 120.399 120.200 -0.010 0.000 2.515 511 E HA 0.055 4.394 4.350 -0.018 0.000 0.201 511 E C 0.181 176.779 176.600 -0.003 0.000 1.071 511 E CA 0.304 56.699 56.400 -0.009 0.000 0.880 511 E CB 0.162 29.853 29.700 -0.014 0.000 0.828 511 E HN 0.448 nan 8.360 nan 0.000 0.540 512 E N 0.696 120.916 120.200 0.033 0.000 3.191 512 E HA 0.165 4.505 4.350 -0.018 0.000 0.303 512 E C -1.525 175.048 176.600 -0.045 0.000 1.197 512 E CA -0.307 56.089 56.400 -0.007 0.000 0.901 512 E CB 0.431 30.127 29.700 -0.007 0.000 1.446 512 E HN -0.010 nan 8.360 nan 0.000 0.385 513 E N 2.546 122.702 120.200 -0.073 0.000 3.664 513 E HA 0.073 4.412 4.350 -0.018 0.000 0.378 513 E C -1.751 174.775 176.600 -0.122 0.000 1.032 513 E CA -0.523 55.764 56.400 -0.189 0.000 0.817 513 E CB 0.359 29.898 29.700 -0.269 0.000 1.281 513 E HN 0.423 nan 8.360 nan 0.000 0.488 514 D N 2.801 123.122 120.400 -0.132 0.000 2.372 514 D HA 0.434 5.063 4.640 -0.018 0.000 0.243 514 D C -0.111 176.278 176.300 0.149 0.000 1.121 514 D CA -0.277 53.727 54.000 0.007 0.000 0.898 514 D CB 1.431 42.253 40.800 0.037 0.000 1.202 514 D HN 0.401 nan 8.370 nan 0.000 0.428 515 A N 1.762 124.661 122.820 0.132 0.000 2.295 515 A HA 0.527 4.837 4.320 -0.018 0.000 0.318 515 A C -0.238 177.547 177.584 0.335 0.000 1.134 515 A CA -0.819 51.334 52.037 0.194 0.000 0.827 515 A CB 1.238 20.095 19.000 -0.238 0.000 1.136 515 A HN 0.440 nan 8.150 nan 0.000 0.493 516 V N 1.735 121.913 119.914 0.440 0.000 2.483 516 V HA 0.301 4.411 4.120 -0.018 0.000 0.295 516 V C -0.586 175.747 176.094 0.398 0.000 1.035 516 V CA -0.813 61.702 62.300 0.358 0.000 0.896 516 V CB 1.625 33.596 31.823 0.248 0.000 0.986 516 V HN 0.856 nan 8.190 nan 0.000 0.447 517 D N 2.737 123.282 120.400 0.243 0.000 2.264 517 D HA 0.227 4.857 4.640 -0.018 0.000 0.250 517 D C 0.049 176.371 176.300 0.038 0.000 1.113 517 D CA -0.062 54.015 54.000 0.127 0.000 0.871 517 D CB 1.443 42.295 40.800 0.086 0.000 1.167 517 D HN 0.603 nan 8.370 nan 0.000 0.447 518 E N 1.028 121.191 120.200 -0.062 0.000 2.217 518 E HA 0.142 4.481 4.350 -0.018 0.000 0.279 518 E C -0.279 176.219 176.600 -0.169 0.000 1.068 518 E CA 0.250 56.481 56.400 -0.280 0.000 0.882 518 E CB 0.652 29.865 29.700 -0.811 0.000 1.039 518 E HN 0.170 nan 8.360 nan 0.000 0.418 519 T N 4.771 119.250 114.554 -0.125 0.000 3.748 519 T HA 0.182 4.521 4.350 -0.018 0.000 0.281 519 T C -0.236 174.412 174.700 -0.086 0.000 0.977 519 T CA -0.380 61.665 62.100 -0.091 0.000 1.056 519 T CB -0.024 68.814 68.868 -0.051 0.000 1.138 519 T HN 0.446 nan 8.240 nan 0.000 0.498 520 M N 1.942 121.468 119.600 -0.124 0.000 2.869 520 M HA 0.275 4.745 4.480 -0.018 0.000 0.299 520 M C 1.371 177.619 176.300 -0.086 0.000 1.508 520 M CA -0.184 55.054 55.300 -0.103 0.000 1.551 520 M CB 0.296 32.816 32.600 -0.133 0.000 1.384 520 M HN 0.416 nan 8.290 nan 0.000 0.491 521 A N 4.020 126.804 122.820 -0.060 0.000 1.984 521 A HA 0.198 4.507 4.320 -0.018 0.000 0.214 521 A C -1.350 176.210 177.584 -0.039 0.000 1.173 521 A CA 0.311 52.319 52.037 -0.048 0.000 0.673 521 A CB -0.938 18.040 19.000 -0.037 0.000 0.830 521 A HN 0.536 nan 8.150 nan 0.000 0.453 522 P HA 0.340 nan 4.420 nan 0.000 0.256 522 P C -0.239 177.039 177.300 -0.038 0.000 1.689 522 P CA -0.219 62.863 63.100 -0.030 0.000 1.124 522 P CB 0.326 32.012 31.700 -0.023 0.000 1.766 523 Q N 1.612 121.388 119.800 -0.041 0.000 3.244 523 Q HA 0.080 4.409 4.340 -0.018 0.000 0.189 523 Q C 0.451 176.425 176.000 -0.043 0.000 1.197 523 Q CA 0.423 56.196 55.803 -0.049 0.000 1.312 523 Q CB 0.228 28.941 28.738 -0.043 0.000 1.394 523 Q HN 0.428 nan 8.270 nan 0.000 0.724 524 N N -1.404 117.271 118.700 -0.041 0.000 3.134 524 N HA 0.435 5.164 4.740 -0.018 0.000 0.235 524 N C -2.171 173.325 175.510 -0.024 0.000 1.092 524 N CA 0.550 53.582 53.050 -0.031 0.000 1.038 524 N CB 1.432 39.898 38.487 -0.035 0.000 1.684 524 N HN 0.706 nan 8.380 nan 0.000 0.551 525 A N 1.049 123.859 122.820 -0.016 0.000 2.581 525 A HA 0.558 4.868 4.320 -0.018 0.000 0.321 525 A C -0.410 177.171 177.584 -0.005 0.000 0.850 525 A CA -0.053 51.978 52.037 -0.010 0.000 0.549 525 A CB -0.485 18.511 19.000 -0.008 0.000 1.495 525 A HN 1.609 nan 8.150 nan 0.000 0.458 526 G N 0.000 108.799 108.800 -0.001 0.000 5.446 526 G HA2 0.000 3.950 3.960 -0.018 0.000 0.244 526 G HA3 0.000 3.950 3.960 -0.018 0.000 0.244 526 G CA 0.000 45.101 45.100 0.001 0.000 0.502 526 G HN 0.000 nan 8.290 nan 0.000 0.925