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 2wn6_1_A DATA FIRST_RESID 17 DATA SEQUENCE LKDKEKAKEW ERKEAERIEQ KLERSEKEAL ESYKKDSVEI SKYSQTRNYF DATA SEQUENCE YDYQIEANSR EKEYKELRNA ISKNKIDKPM YVYYFESPEK FAFNKVIRTE DATA SEQUENCE NQNEISLEKF NEFKETIQNK LFKQDGFKDI SLWEPGKGDE KPTPLLMHLK DATA SEQUENCE LPRNTGMLPY TNTNNVSTLI EQGYSIKIDK IVRIVIDGKH YIKAEASVVS DATA SEQUENCE SLDFKDDVSK GDSWGKANYN DWSNKLTPNE LADVNDYMRG GYTAINNYLI DATA SEQUENCE SNGPVNNPNP ELDSKITNIE NALKREPIPT NLTVYRRSGP QEFGLTLTSP DATA SEQUENCE EYDFNKLENI DAFKSKWEGQ ALSYPNFIST SIGSVNMSAF AKRKIVLRIT DATA SEQUENCE IPKGSPGAYL SAIPGYAGEY EVLLNHGSKF KINKIDSYKD GTITKLIVDA DATA SEQUENCE TLIP 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.923 176.870 0.089 0.000 1.165 17 L CA 0.000 54.923 54.840 0.138 0.000 0.813 17 L CB 0.000 42.095 42.059 0.060 0.000 0.961 18 K N 0.479 120.898 120.400 0.032 0.000 2.358 18 K HA 0.215 4.573 4.320 0.063 0.000 0.200 18 K C -0.180 176.421 176.600 0.002 0.000 1.030 18 K CA 0.132 56.426 56.287 0.012 0.000 1.097 18 K CB 0.667 33.152 32.500 -0.025 0.000 0.862 18 K HN 0.553 nan 8.250 nan 0.000 0.534 19 D N 2.527 122.926 120.400 -0.001 0.000 2.455 19 D HA -0.027 4.650 4.640 0.063 0.000 0.234 19 D C 0.818 177.003 176.300 -0.192 0.000 1.224 19 D CA 0.383 54.340 54.000 -0.072 0.000 0.999 19 D CB 0.561 41.337 40.800 -0.040 0.000 1.072 19 D HN 0.062 nan 8.370 nan 0.000 0.514 20 K N 2.209 122.370 120.400 -0.398 0.000 2.001 20 K HA -0.210 4.147 4.320 0.063 0.000 0.208 20 K C 1.971 178.185 176.600 -0.643 0.000 1.048 20 K CA 1.653 57.364 56.287 -0.961 0.000 0.932 20 K CB 0.161 31.981 32.500 -1.133 0.000 0.715 20 K HN 0.290 nan 8.250 nan 0.000 0.437 21 E N 1.936 121.918 120.200 -0.363 0.000 2.085 21 E HA -0.275 4.113 4.350 0.063 0.000 0.194 21 E C 1.822 178.346 176.600 -0.128 0.000 0.994 21 E CA 1.958 58.230 56.400 -0.214 0.000 0.801 21 E CB -0.598 29.016 29.700 -0.142 0.000 0.743 21 E HN 0.521 nan 8.360 nan 0.000 0.453 22 K N -0.402 119.936 120.400 -0.103 0.000 2.025 22 K HA 0.062 4.420 4.320 0.063 0.000 0.207 22 K C 2.546 179.177 176.600 0.051 0.000 1.049 22 K CA 1.173 57.449 56.287 -0.019 0.000 0.933 22 K CB -0.350 32.135 32.500 -0.025 0.000 0.714 22 K HN 0.322 nan 8.250 nan 0.000 0.438 23 A N 1.485 124.313 122.820 0.014 0.000 1.930 23 A HA -0.123 4.235 4.320 0.063 0.000 0.217 23 A C 1.914 179.663 177.584 0.274 0.000 1.175 23 A CA 1.333 53.480 52.037 0.184 0.000 0.627 23 A CB -0.287 18.902 19.000 0.316 0.000 0.815 23 A HN 0.191 nan 8.150 nan 0.000 0.443 24 K N -0.247 120.203 120.400 0.083 0.000 2.057 24 K HA -0.068 4.290 4.320 0.063 0.000 0.206 24 K C 2.294 178.960 176.600 0.111 0.000 1.050 24 K CA 1.630 57.985 56.287 0.113 0.000 0.935 24 K CB -0.896 31.594 32.500 -0.015 0.000 0.715 24 K HN 0.653 nan 8.250 nan 0.000 0.439 25 E N 0.490 120.742 120.200 0.086 0.000 2.051 25 E HA -0.201 4.186 4.350 0.063 0.000 0.192 25 E C 1.810 178.489 176.600 0.131 0.000 0.991 25 E CA 1.489 57.938 56.400 0.081 0.000 0.799 25 E CB -1.141 28.596 29.700 0.061 0.000 0.748 25 E HN 0.564 nan 8.360 nan 0.000 0.449 26 W N 1.003 122.314 121.300 0.019 0.000 2.355 26 W HA -0.145 4.552 4.660 0.062 0.000 0.309 26 W C 2.333 178.880 176.519 0.047 0.000 1.206 26 W CA 2.131 59.497 57.345 0.035 0.000 1.284 26 W CB 0.066 29.555 29.460 0.049 0.000 1.145 26 W HN 0.429 nan 8.180 nan 0.000 0.502 27 E N 0.070 120.441 120.200 0.284 0.000 2.077 27 E HA -0.307 4.081 4.350 0.063 0.000 0.193 27 E C 2.370 178.920 176.600 -0.084 0.000 0.989 27 E CA 1.619 58.074 56.400 0.092 0.000 0.800 27 E CB -0.327 29.543 29.700 0.283 0.000 0.746 27 E HN 0.269 nan 8.360 nan 0.000 0.452 28 R N 0.287 120.771 120.500 -0.026 0.000 2.073 28 R HA -0.173 4.204 4.340 0.063 0.000 0.234 28 R C 2.627 178.866 176.300 -0.102 0.000 1.134 28 R CA 2.286 58.355 56.100 -0.051 0.000 0.952 28 R CB -0.280 30.011 30.300 -0.016 0.000 0.850 28 R HN 0.038 nan 8.270 nan 0.000 0.433 29 K N 0.909 121.232 120.400 -0.130 0.000 2.063 29 K HA -0.208 4.150 4.320 0.063 0.000 0.208 29 K C 1.851 178.306 176.600 -0.242 0.000 1.048 29 K CA 1.925 58.116 56.287 -0.159 0.000 0.928 29 K CB -0.771 31.642 32.500 -0.146 0.000 0.713 29 K HN 0.419 nan 8.250 nan 0.000 0.442 30 E N -0.117 119.830 120.200 -0.422 0.000 2.072 30 E HA 0.044 4.432 4.350 0.063 0.000 0.191 30 E C 2.241 178.692 176.600 -0.248 0.000 0.985 30 E CA 1.351 57.472 56.400 -0.464 0.000 0.801 30 E CB -0.317 28.852 29.700 -0.886 0.000 0.750 30 E HN 0.518 nan 8.360 nan 0.000 0.452 31 A N 0.794 123.502 122.820 -0.186 0.000 1.865 31 A HA -0.272 4.085 4.320 0.063 0.000 0.217 31 A C 2.075 179.623 177.584 -0.060 0.000 1.191 31 A CA 2.000 53.988 52.037 -0.083 0.000 0.623 31 A CB -0.716 18.250 19.000 -0.057 0.000 0.826 31 A HN 0.348 nan 8.150 nan 0.000 0.444 32 E N -1.155 119.003 120.200 -0.070 0.000 2.150 32 E HA -0.171 4.216 4.350 0.063 0.000 0.193 32 E C 2.293 178.862 176.600 -0.052 0.000 0.985 32 E CA 0.921 57.292 56.400 -0.048 0.000 0.814 32 E CB -0.120 29.553 29.700 -0.045 0.000 0.752 32 E HN 0.593 nan 8.360 nan 0.000 0.466 33 R N 0.681 121.134 120.500 -0.078 0.000 2.066 33 R HA -0.116 4.261 4.340 0.063 0.000 0.232 33 R C 2.115 178.382 176.300 -0.055 0.000 1.131 33 R CA 1.071 57.129 56.100 -0.070 0.000 0.955 33 R CB 0.016 30.258 30.300 -0.098 0.000 0.851 33 R HN 0.102 nan 8.270 nan 0.000 0.432 34 I N 1.391 121.924 120.570 -0.062 0.000 2.394 34 I HA -0.202 4.006 4.170 0.063 0.000 0.251 34 I C 2.283 178.384 176.117 -0.027 0.000 1.136 34 I CA 1.213 62.488 61.300 -0.042 0.000 1.425 34 I CB -1.311 36.666 38.000 -0.039 0.000 1.079 34 I HN 0.394 nan 8.210 nan 0.000 0.425 35 E N 1.002 121.189 120.200 -0.021 0.000 2.160 35 E HA -0.259 4.128 4.350 0.063 0.000 0.195 35 E C 2.019 178.610 176.600 -0.015 0.000 0.991 35 E CA 1.259 57.653 56.400 -0.011 0.000 0.810 35 E CB 0.102 29.801 29.700 -0.003 0.000 0.742 35 E HN 0.592 nan 8.360 nan 0.000 0.466 36 Q N -0.242 119.547 119.800 -0.018 0.000 2.230 36 Q HA -0.109 4.269 4.340 0.063 0.000 0.202 36 Q C 1.961 177.951 176.000 -0.016 0.000 0.963 36 Q CA 0.969 56.763 55.803 -0.016 0.000 0.866 36 Q CB 0.116 28.844 28.738 -0.017 0.000 0.931 36 Q HN 0.153 nan 8.270 nan 0.000 0.452 37 K N 0.329 120.718 120.400 -0.019 0.000 2.103 37 K HA 0.003 4.361 4.320 0.063 0.000 0.204 37 K C 0.467 177.055 176.600 -0.019 0.000 1.052 37 K CA 0.332 56.608 56.287 -0.018 0.000 0.945 37 K CB -0.004 32.484 32.500 -0.019 0.000 0.722 37 K HN 0.109 nan 8.250 nan 0.000 0.443 38 L N 2.630 123.839 121.223 -0.023 0.000 2.485 38 L HA -0.029 4.349 4.340 0.063 0.000 0.275 38 L C 0.660 177.516 176.870 -0.024 0.000 1.207 38 L CA -0.202 54.621 54.840 -0.028 0.000 0.855 38 L CB 0.172 42.211 42.059 -0.034 0.000 1.114 38 L HN 0.169 nan 8.230 nan 0.000 0.485 39 E N 2.755 122.939 120.200 -0.027 0.000 2.408 39 E HA 0.036 4.424 4.350 0.063 0.000 0.259 39 E C 0.974 177.560 176.600 -0.023 0.000 1.110 39 E CA -0.355 56.032 56.400 -0.022 0.000 0.929 39 E CB 0.583 30.270 29.700 -0.023 0.000 0.971 39 E HN 0.405 nan 8.360 nan 0.000 0.438 40 R N 0.895 121.384 120.500 -0.018 0.000 2.091 40 R HA -0.134 4.243 4.340 0.063 0.000 0.238 40 R C 2.203 178.491 176.300 -0.020 0.000 1.136 40 R CA 1.692 57.783 56.100 -0.016 0.000 0.959 40 R CB -0.978 29.315 30.300 -0.011 0.000 0.856 40 R HN 0.649 nan 8.270 nan 0.000 0.437 41 S N 0.706 116.394 115.700 -0.020 0.000 2.382 41 S HA -0.142 4.365 4.470 0.063 0.000 0.228 41 S C 1.809 176.388 174.600 -0.036 0.000 1.027 41 S CA 1.157 59.343 58.200 -0.022 0.000 0.991 41 S CB -0.164 63.025 63.200 -0.018 0.000 0.823 41 S HN 0.392 nan 8.310 nan 0.000 0.469 42 E N 1.538 121.712 120.200 -0.044 0.000 2.072 42 E HA -0.048 4.339 4.350 0.063 0.000 0.190 42 E C 2.237 178.794 176.600 -0.072 0.000 0.982 42 E CA 1.041 57.401 56.400 -0.067 0.000 0.803 42 E CB -0.124 29.534 29.700 -0.069 0.000 0.755 42 E HN 0.570 nan 8.360 nan 0.000 0.453 43 K N 0.864 121.234 120.400 -0.050 0.000 2.103 43 K HA -0.218 4.140 4.320 0.063 0.000 0.207 43 K C 2.178 178.756 176.600 -0.037 0.000 1.048 43 K CA 1.269 57.531 56.287 -0.040 0.000 0.930 43 K CB -0.066 32.420 32.500 -0.023 0.000 0.716 43 K HN 0.139 nan 8.250 nan 0.000 0.444 44 E N 0.713 120.894 120.200 -0.032 0.000 2.072 44 E HA -0.178 4.210 4.350 0.063 0.000 0.191 44 E C 1.974 178.555 176.600 -0.030 0.000 0.985 44 E CA 0.988 57.373 56.400 -0.024 0.000 0.801 44 E CB -0.015 29.673 29.700 -0.019 0.000 0.750 44 E HN 0.321 nan 8.360 nan 0.000 0.452 45 A N 0.891 123.684 122.820 -0.046 0.000 1.933 45 A HA -0.157 4.201 4.320 0.063 0.000 0.218 45 A C 2.099 179.638 177.584 -0.076 0.000 1.175 45 A CA 1.081 53.083 52.037 -0.057 0.000 0.628 45 A CB -0.581 18.369 19.000 -0.083 0.000 0.814 45 A HN 0.361 nan 8.150 nan 0.000 0.444 46 L N -0.100 121.057 121.223 -0.110 0.000 2.046 46 L HA -0.133 4.245 4.340 0.063 0.000 0.208 46 L C 2.264 179.110 176.870 -0.040 0.000 1.077 46 L CA 2.068 56.825 54.840 -0.138 0.000 0.747 46 L CB -0.634 41.327 42.059 -0.164 0.000 0.896 46 L HN 0.348 nan 8.230 nan 0.000 0.432 47 E N -0.530 119.659 120.200 -0.019 0.000 2.085 47 E HA -0.187 4.201 4.350 0.063 0.000 0.194 47 E C 2.265 178.869 176.600 0.007 0.000 0.994 47 E CA 1.525 57.928 56.400 0.005 0.000 0.801 47 E CB -0.399 29.302 29.700 0.001 0.000 0.743 47 E HN 0.490 nan 8.360 nan 0.000 0.453 48 S N 0.344 116.046 115.700 0.003 0.000 2.368 48 S HA -0.158 4.349 4.470 0.063 0.000 0.225 48 S C 1.797 176.402 174.600 0.008 0.000 1.030 48 S CA 0.973 59.175 58.200 0.003 0.000 0.999 48 S CB -0.411 62.793 63.200 0.005 0.000 0.844 48 S HN 0.339 nan 8.310 nan 0.000 0.459 49 Y N 2.499 122.734 120.300 -0.109 0.000 2.128 49 Y HA -0.158 4.429 4.550 0.062 0.000 0.284 49 Y C 2.023 177.877 175.900 -0.077 0.000 1.154 49 Y CA 1.587 59.607 58.100 -0.133 0.000 1.149 49 Y CB -0.284 38.008 38.460 -0.281 0.000 0.976 49 Y HN 0.099 nan 8.280 nan 0.000 0.505 50 K N -0.059 120.328 120.400 -0.022 0.000 2.218 50 K HA -0.201 4.156 4.320 0.063 0.000 0.205 50 K C 1.811 178.370 176.600 -0.068 0.000 1.046 50 K CA 1.841 58.125 56.287 -0.006 0.000 0.933 50 K CB -0.107 32.445 32.500 0.086 0.000 0.728 50 K HN 0.386 nan 8.250 nan 0.000 0.454 51 K N -0.396 119.958 120.400 -0.078 0.000 2.308 51 K HA -0.021 4.336 4.320 0.063 0.000 0.197 51 K C 0.474 177.020 176.600 -0.091 0.000 1.049 51 K CA 0.664 56.913 56.287 -0.063 0.000 0.991 51 K CB 0.481 32.961 32.500 -0.034 0.000 0.836 51 K HN -0.054 nan 8.250 nan 0.000 0.500 52 D N -0.087 120.229 120.400 -0.141 0.000 2.865 52 D HA 0.039 4.716 4.640 0.063 0.000 0.347 52 D C 0.888 177.070 176.300 -0.197 0.000 1.498 52 D CA -0.011 53.917 54.000 -0.119 0.000 0.787 52 D CB 0.343 41.108 40.800 -0.059 0.000 1.190 52 D HN -0.013 nan 8.370 nan 0.000 0.445 53 S N -1.601 113.856 115.700 -0.405 0.000 2.370 53 S HA -0.181 4.326 4.470 0.063 0.000 0.226 53 S C 1.995 176.480 174.600 -0.191 0.000 1.033 53 S CA 1.297 59.076 58.200 -0.702 0.000 1.011 53 S CB -0.566 62.067 63.200 -0.945 0.000 0.852 53 S HN 0.107 nan 8.310 nan 0.000 0.457 54 V N 2.519 122.377 119.914 -0.093 0.000 2.255 54 V HA -0.150 4.008 4.120 0.063 0.000 0.247 54 V C 3.022 179.152 176.094 0.060 0.000 1.051 54 V CA 2.170 64.476 62.300 0.009 0.000 1.018 54 V CB -0.763 31.063 31.823 0.005 0.000 0.641 54 V HN 0.463 nan 8.190 nan 0.000 0.445 55 E N -0.279 119.948 120.200 0.044 0.000 2.107 55 E HA -0.065 4.322 4.350 0.063 0.000 0.191 55 E C 2.145 178.836 176.600 0.152 0.000 0.982 55 E CA 1.031 57.477 56.400 0.078 0.000 0.809 55 E CB -0.213 29.509 29.700 0.036 0.000 0.756 55 E HN 0.596 nan 8.360 nan 0.000 0.459 56 I N 0.893 121.568 120.570 0.175 0.000 2.252 56 I HA -0.225 3.983 4.170 0.063 0.000 0.245 56 I C 2.297 178.702 176.117 0.480 0.000 1.102 56 I CA 0.832 62.332 61.300 0.334 0.000 1.385 56 I CB -0.169 38.043 38.000 0.354 0.000 1.064 56 I HN -0.053 nan 8.210 nan 0.000 0.414 57 S N 0.542 116.505 115.700 0.437 0.000 2.368 57 S HA -0.164 4.343 4.470 0.063 0.000 0.225 57 S C 1.962 176.680 174.600 0.197 0.000 1.030 57 S CA 1.221 59.665 58.200 0.407 0.000 0.999 57 S CB -0.159 63.256 63.200 0.358 0.000 0.844 57 S HN 0.347 nan 8.310 nan 0.000 0.459 58 K N 0.087 120.587 120.400 0.167 0.000 2.026 58 K HA -0.143 4.214 4.320 0.063 0.000 0.208 58 K C 2.027 178.689 176.600 0.103 0.000 1.048 58 K CA 1.563 57.915 56.287 0.109 0.000 0.929 58 K CB -0.367 32.198 32.500 0.108 0.000 0.713 58 K HN 0.378 nan 8.250 nan 0.000 0.439 59 Y N 1.933 122.257 120.300 0.039 0.000 2.165 59 Y HA -0.287 4.301 4.550 0.064 0.000 0.286 59 Y C 2.427 178.265 175.900 -0.102 0.000 1.155 59 Y CA 1.904 60.000 58.100 -0.008 0.000 1.164 59 Y CB -0.455 38.014 38.460 0.015 0.000 0.978 59 Y HN 0.128 nan 8.280 nan 0.000 0.513 60 S N -0.704 114.907 115.700 -0.148 0.000 2.474 60 S HA -0.204 4.304 4.470 0.063 0.000 0.235 60 S C 1.729 176.063 174.600 -0.443 0.000 0.997 60 S CA 1.246 59.173 58.200 -0.455 0.000 0.949 60 S CB -0.450 62.417 63.200 -0.554 0.000 0.766 60 S HN 0.697 nan 8.310 nan 0.000 0.517 61 Q N 0.894 120.536 119.800 -0.264 0.000 2.096 61 Q HA -0.012 4.365 4.340 0.063 0.000 0.197 61 Q C 1.857 177.760 176.000 -0.161 0.000 0.964 61 Q CA 1.644 57.334 55.803 -0.189 0.000 0.838 61 Q CB -0.088 28.589 28.738 -0.102 0.000 0.906 61 Q HN 0.890 nan 8.270 nan 0.000 0.444 62 T N -2.738 111.712 114.554 -0.174 0.000 3.040 62 T HA 0.159 4.547 4.350 0.063 0.000 0.266 62 T C 1.321 175.982 174.700 -0.064 0.000 1.005 62 T CA -0.398 61.668 62.100 -0.057 0.000 0.906 62 T CB 0.136 68.932 68.868 -0.120 0.000 1.082 62 T HN 0.239 nan 8.240 nan 0.000 0.531 63 R N 3.016 123.250 120.500 -0.443 0.000 2.117 63 R HA -0.136 4.242 4.340 0.063 0.000 0.243 63 R C 1.833 177.961 176.300 -0.287 0.000 1.143 63 R CA 1.991 57.727 56.100 -0.606 0.000 0.968 63 R CB -1.020 28.460 30.300 -1.365 0.000 0.863 63 R HN 0.510 nan 8.270 nan 0.000 0.444 64 N N -0.059 118.351 118.700 -0.483 0.000 2.521 64 N HA -0.137 4.640 4.740 0.063 0.000 0.188 64 N C 0.229 175.322 175.510 -0.694 0.000 1.146 64 N CA 0.647 53.350 53.050 -0.579 0.000 0.893 64 N CB -0.044 38.020 38.487 -0.705 0.000 0.975 64 N HN 0.425 nan 8.380 nan 0.000 0.451 65 Y N -0.433 119.621 120.300 -0.410 0.000 2.458 65 Y HA 0.360 4.947 4.550 0.062 0.000 0.256 65 Y C 0.455 175.994 175.900 -0.603 0.000 1.159 65 Y CA -0.551 57.206 58.100 -0.570 0.000 1.261 65 Y CB 0.067 38.020 38.460 -0.845 0.000 1.119 65 Y HN -0.161 nan 8.280 nan 0.000 0.524 66 F N -1.774 118.094 119.950 -0.137 0.000 2.321 66 F HA 0.341 4.907 4.527 0.065 0.000 0.318 66 F C 0.158 175.811 175.800 -0.246 0.000 1.129 66 F CA -1.471 56.431 58.000 -0.164 0.000 1.074 66 F CB 0.056 39.008 39.000 -0.080 0.000 1.432 66 F HN -0.272 nan 8.300 nan 0.000 0.502 67 Y N 1.314 121.611 120.300 -0.006 0.000 2.379 67 Y HA 0.013 4.602 4.550 0.064 0.000 0.337 67 Y C 1.580 177.366 175.900 -0.190 0.000 1.238 67 Y CA -0.445 57.551 58.100 -0.173 0.000 1.405 67 Y CB 0.166 38.336 38.460 -0.482 0.000 1.310 67 Y HN 0.528 nan 8.280 nan 0.000 0.569 68 D N 0.542 120.999 120.400 0.096 0.000 2.133 68 D HA -0.333 4.344 4.640 0.063 0.000 0.195 68 D C 1.586 177.933 176.300 0.079 0.000 0.997 68 D CA 2.274 56.320 54.000 0.076 0.000 0.840 68 D CB -1.244 39.626 40.800 0.118 0.000 0.947 68 D HN 0.771 nan 8.370 nan 0.000 0.452 69 Y N -0.078 120.299 120.300 0.128 0.000 2.293 69 Y HA 0.071 4.659 4.550 0.063 0.000 0.291 69 Y C 2.252 178.206 175.900 0.091 0.000 1.137 69 Y CA 0.831 58.979 58.100 0.081 0.000 1.202 69 Y CB -0.884 37.597 38.460 0.036 0.000 0.990 69 Y HN -0.033 nan 8.280 nan 0.000 0.537 70 Q N 0.793 120.364 119.800 -0.381 0.000 2.079 70 Q HA -0.056 4.322 4.340 0.063 0.000 0.200 70 Q C 2.298 178.273 176.000 -0.041 0.000 0.974 70 Q CA 1.888 57.585 55.803 -0.178 0.000 0.840 70 Q CB -0.168 28.455 28.738 -0.191 0.000 0.898 70 Q HN 0.595 nan 8.270 nan 0.000 0.430 71 I N 0.837 121.404 120.570 -0.006 0.000 2.127 71 I HA -0.284 3.924 4.170 0.063 0.000 0.241 71 I C 2.599 178.761 176.117 0.076 0.000 1.075 71 I CA 1.107 62.439 61.300 0.053 0.000 1.334 71 I CB -0.328 37.687 38.000 0.025 0.000 1.040 71 I HN 0.239 nan 8.210 nan 0.000 0.405 72 E N 1.267 121.511 120.200 0.072 0.000 2.118 72 E HA -0.227 4.161 4.350 0.063 0.000 0.195 72 E C 2.119 178.758 176.600 0.066 0.000 0.992 72 E CA 1.731 58.178 56.400 0.079 0.000 0.804 72 E CB 0.023 29.779 29.700 0.093 0.000 0.741 72 E HN 0.494 nan 8.360 nan 0.000 0.458 73 A N 0.935 123.794 122.820 0.065 0.000 2.132 73 A HA -0.025 4.332 4.320 0.063 0.000 0.213 73 A C 1.248 178.831 177.584 -0.001 0.000 1.154 73 A CA -0.155 51.910 52.037 0.046 0.000 0.753 73 A CB -0.291 18.758 19.000 0.081 0.000 0.826 73 A HN 0.137 nan 8.150 nan 0.000 0.469 74 N N 1.092 119.778 118.700 -0.024 0.000 2.412 74 N HA -0.051 4.727 4.740 0.063 0.000 0.258 74 N C 1.354 176.770 175.510 -0.156 0.000 1.236 74 N CA 0.828 53.809 53.050 -0.115 0.000 0.882 74 N CB 0.793 39.190 38.487 -0.151 0.000 1.066 74 N HN 0.352 nan 8.380 nan 0.000 0.465 75 S N 3.757 119.353 115.700 -0.173 0.000 2.500 75 S HA -0.066 4.442 4.470 0.063 0.000 0.239 75 S C 1.197 175.688 174.600 -0.183 0.000 0.989 75 S CA 0.833 58.948 58.200 -0.141 0.000 0.951 75 S CB 0.073 63.206 63.200 -0.113 0.000 0.759 75 S HN 0.675 nan 8.310 nan 0.000 0.523 76 R N -0.210 120.074 120.500 -0.359 0.000 2.437 76 R HA 0.292 4.669 4.340 0.063 0.000 0.257 76 R C 1.632 177.802 176.300 -0.217 0.000 0.927 76 R CA 0.350 56.230 56.100 -0.367 0.000 1.078 76 R CB 0.099 30.053 30.300 -0.576 0.000 1.161 76 R HN 0.393 nan 8.270 nan 0.000 0.529 77 E N 1.932 122.055 120.200 -0.129 0.000 2.072 77 E HA -0.108 4.280 4.350 0.063 0.000 0.190 77 E C 1.300 178.033 176.600 0.222 0.000 0.982 77 E CA 1.518 58.029 56.400 0.184 0.000 0.803 77 E CB 0.249 30.044 29.700 0.159 0.000 0.755 77 E HN 0.061 nan 8.360 nan 0.000 0.453 78 K N 0.126 120.590 120.400 0.107 0.000 2.057 78 K HA -0.125 4.232 4.320 0.063 0.000 0.206 78 K C 2.219 178.871 176.600 0.087 0.000 1.050 78 K CA 1.479 57.818 56.287 0.087 0.000 0.935 78 K CB -0.090 32.435 32.500 0.041 0.000 0.715 78 K HN 0.185 nan 8.250 nan 0.000 0.439 79 E N -0.059 120.192 120.200 0.086 0.000 2.058 79 E HA -0.240 4.148 4.350 0.063 0.000 0.194 79 E C 1.830 178.521 176.600 0.153 0.000 0.997 79 E CA 1.393 57.842 56.400 0.081 0.000 0.801 79 E CB -0.207 29.537 29.700 0.073 0.000 0.746 79 E HN 0.304 nan 8.360 nan 0.000 0.450 80 Y N 1.934 122.357 120.300 0.205 0.000 2.081 80 Y HA -0.295 4.293 4.550 0.063 0.000 0.280 80 Y C 1.865 177.920 175.900 0.258 0.000 1.163 80 Y CA 1.849 60.164 58.100 0.358 0.000 1.135 80 Y CB -0.030 38.661 38.460 0.386 0.000 0.970 80 Y HN -0.166 nan 8.280 nan 0.000 0.498 81 K N -0.247 120.150 120.400 -0.005 0.000 2.057 81 K HA -0.164 4.193 4.320 0.063 0.000 0.207 81 K C 1.964 178.479 176.600 -0.141 0.000 1.049 81 K CA 1.520 57.727 56.287 -0.134 0.000 0.931 81 K CB -0.132 32.401 32.500 0.054 0.000 0.714 81 K HN 0.399 nan 8.250 nan 0.000 0.440 82 E N 0.898 121.051 120.200 -0.078 0.000 2.047 82 E HA -0.168 4.220 4.350 0.063 0.000 0.191 82 E C 2.079 178.594 176.600 -0.142 0.000 0.987 82 E CA 0.802 57.150 56.400 -0.087 0.000 0.799 82 E CB -0.227 29.437 29.700 -0.061 0.000 0.752 82 E HN 0.112 nan 8.360 nan 0.000 0.449 83 L N 1.528 122.636 121.223 -0.192 0.000 2.083 83 L HA -0.124 4.253 4.340 0.063 0.000 0.209 83 L C 2.548 179.278 176.870 -0.233 0.000 1.083 83 L CA 1.496 56.139 54.840 -0.330 0.000 0.752 83 L CB -0.532 41.147 42.059 -0.634 0.000 0.899 83 L HN 0.027 nan 8.230 nan 0.000 0.433 84 R N -0.606 119.793 120.500 -0.170 0.000 2.080 84 R HA -0.196 4.182 4.340 0.063 0.000 0.236 84 R C 2.003 178.236 176.300 -0.112 0.000 1.137 84 R CA 1.842 57.854 56.100 -0.147 0.000 0.943 84 R CB -0.249 29.782 30.300 -0.449 0.000 0.846 84 R HN 0.421 nan 8.270 nan 0.000 0.431 85 N N 0.711 119.339 118.700 -0.121 0.000 2.069 85 N HA -0.159 4.619 4.740 0.063 0.000 0.191 85 N C 1.675 177.144 175.510 -0.069 0.000 1.031 85 N CA 1.670 54.673 53.050 -0.078 0.000 0.852 85 N CB -0.542 37.906 38.487 -0.066 0.000 1.018 85 N HN 0.357 nan 8.380 nan 0.000 0.423 86 A N 1.201 123.965 122.820 -0.092 0.000 1.902 86 A HA -0.078 4.279 4.320 0.063 0.000 0.217 86 A C 2.357 179.898 177.584 -0.072 0.000 1.181 86 A CA 1.018 53.002 52.037 -0.088 0.000 0.623 86 A CB -0.754 18.171 19.000 -0.125 0.000 0.818 86 A HN 0.233 nan 8.150 nan 0.000 0.443 87 I N -0.525 119.996 120.570 -0.082 0.000 2.208 87 I HA -0.223 3.985 4.170 0.063 0.000 0.245 87 I C 2.587 178.697 176.117 -0.012 0.000 1.097 87 I CA 1.478 62.753 61.300 -0.042 0.000 1.363 87 I CB -0.205 37.782 38.000 -0.021 0.000 1.051 87 I HN 0.214 nan 8.210 nan 0.000 0.413 88 S N 0.130 115.820 115.700 -0.017 0.000 2.447 88 S HA -0.100 4.408 4.470 0.063 0.000 0.233 88 S C 1.734 176.331 174.600 -0.004 0.000 1.006 88 S CA 1.030 59.226 58.200 -0.006 0.000 0.957 88 S CB -0.087 63.105 63.200 -0.013 0.000 0.773 88 S HN 0.372 nan 8.310 nan 0.000 0.507 89 K N 0.876 121.269 120.400 -0.011 0.000 2.444 89 K HA 0.126 4.484 4.320 0.063 0.000 0.193 89 K C 0.211 176.811 176.600 -0.000 0.000 1.024 89 K CA 0.130 56.413 56.287 -0.007 0.000 1.077 89 K CB 0.078 32.569 32.500 -0.015 0.000 0.833 89 K HN 0.054 nan 8.250 nan 0.000 0.517 90 N N 1.808 120.511 118.700 0.005 0.000 2.898 90 N HA 0.077 4.855 4.740 0.063 0.000 0.245 90 N C -1.563 173.968 175.510 0.034 0.000 1.185 90 N CA -0.317 52.745 53.050 0.018 0.000 0.879 90 N CB 0.437 38.934 38.487 0.016 0.000 1.157 90 N HN -0.116 nan 8.380 nan 0.000 0.503 91 K N 2.186 122.605 120.400 0.033 0.000 2.172 91 K HA 0.370 4.728 4.320 0.063 0.000 0.276 91 K C 0.332 176.961 176.600 0.049 0.000 1.013 91 K CA -0.752 55.557 56.287 0.036 0.000 0.913 91 K CB 1.466 33.980 32.500 0.024 0.000 1.055 91 K HN 0.491 nan 8.250 nan 0.000 0.461 92 I N -0.359 120.243 120.570 0.053 0.000 2.634 92 I HA 0.061 4.268 4.170 0.063 0.000 0.284 92 I C 0.388 176.529 176.117 0.040 0.000 1.124 92 I CA -0.369 60.969 61.300 0.063 0.000 1.417 92 I CB 0.807 38.845 38.000 0.062 0.000 1.396 92 I HN 0.661 nan 8.210 nan 0.000 0.571 93 D N 3.302 123.730 120.400 0.047 0.000 2.350 93 D HA 0.042 4.720 4.640 0.063 0.000 0.213 93 D C 0.046 176.356 176.300 0.016 0.000 1.031 93 D CA 0.180 54.198 54.000 0.031 0.000 0.861 93 D CB 0.111 40.934 40.800 0.039 0.000 0.926 93 D HN 0.775 nan 8.370 nan 0.000 0.520 94 K N -1.040 119.367 120.400 0.012 0.000 2.512 94 K HA 0.556 4.914 4.320 0.063 0.000 0.263 94 K C -3.125 173.458 176.600 -0.027 0.000 0.966 94 K CA -2.211 54.072 56.287 -0.007 0.000 0.851 94 K CB 1.616 34.115 32.500 -0.001 0.000 1.395 94 K HN -0.304 nan 8.250 nan 0.000 0.440 95 P HA 0.000 nan 4.420 nan 0.000 0.269 95 P C -0.989 176.250 177.300 -0.102 0.000 1.209 95 P CA -0.012 63.026 63.100 -0.103 0.000 0.776 95 P CB 0.566 32.186 31.700 -0.132 0.000 0.876 96 M N 2.667 122.178 119.600 -0.148 0.000 2.433 96 M HA 0.344 4.861 4.480 0.063 0.000 0.290 96 M C -1.550 174.633 176.300 -0.195 0.000 1.173 96 M CA -0.896 54.346 55.300 -0.098 0.000 0.905 96 M CB 1.843 34.426 32.600 -0.029 0.000 1.692 96 M HN 0.162 nan 8.290 nan 0.000 0.462 97 Y N 2.672 122.904 120.300 -0.113 0.000 2.304 97 Y HA 0.534 5.121 4.550 0.062 0.000 0.328 97 Y C 0.110 175.942 175.900 -0.113 0.000 1.123 97 Y CA -0.140 57.834 58.100 -0.210 0.000 1.218 97 Y CB 1.291 39.579 38.460 -0.286 0.000 1.207 97 Y HN 0.446 nan 8.280 nan 0.000 0.495 98 V N 0.674 120.589 119.914 0.001 0.000 3.001 98 V HA 0.631 4.788 4.120 0.063 0.000 0.314 98 V C -1.647 174.434 176.094 -0.022 0.000 1.099 98 V CA -1.396 60.953 62.300 0.080 0.000 0.989 98 V CB 1.923 33.838 31.823 0.154 0.000 1.040 98 V HN 0.579 nan 8.190 nan 0.000 0.434 99 Y N 2.967 123.343 120.300 0.127 0.000 2.393 99 Y HA 0.852 5.439 4.550 0.063 0.000 0.341 99 Y C -0.367 175.569 175.900 0.060 0.000 0.988 99 Y CA -0.492 57.598 58.100 -0.016 0.000 1.078 99 Y CB 2.128 40.481 38.460 -0.179 0.000 1.203 99 Y HN 0.914 nan 8.280 nan 0.000 0.453 100 Y N -0.496 119.817 120.300 0.023 0.000 2.592 100 Y HA 0.652 5.238 4.550 0.061 0.000 0.334 100 Y C -1.951 173.905 175.900 -0.073 0.000 1.136 100 Y CA -2.354 55.759 58.100 0.021 0.000 1.042 100 Y CB 0.647 39.170 38.460 0.104 0.000 1.325 100 Y HN 0.383 nan 8.280 nan 0.000 0.457 101 F N 1.897 121.974 119.950 0.212 0.000 2.382 101 F HA 0.579 5.143 4.527 0.062 0.000 0.331 101 F C 0.341 176.281 175.800 0.235 0.000 1.121 101 F CA 0.197 58.284 58.000 0.145 0.000 1.183 101 F CB 1.393 40.464 39.000 0.118 0.000 1.207 101 F HN 0.639 nan 8.300 nan 0.000 0.555 102 E N 0.408 120.819 120.200 0.352 0.000 2.383 102 E HA 0.316 4.703 4.350 0.063 0.000 0.275 102 E C -1.163 175.575 176.600 0.229 0.000 0.918 102 E CA -0.698 55.878 56.400 0.293 0.000 0.764 102 E CB 1.941 31.826 29.700 0.309 0.000 1.252 102 E HN 0.378 nan 8.360 nan 0.000 0.449 103 S N 3.282 119.076 115.700 0.157 0.000 2.548 103 S HA 0.302 4.809 4.470 0.063 0.000 0.277 103 S C -1.772 172.919 174.600 0.152 0.000 1.315 103 S CA -1.134 57.143 58.200 0.128 0.000 1.050 103 S CB 0.695 63.944 63.200 0.083 0.000 0.918 103 S HN 0.417 nan 8.310 nan 0.000 0.497 104 P HA -0.087 nan 4.420 nan 0.000 0.219 104 P C 1.153 178.673 177.300 0.366 0.000 1.146 104 P CA 0.846 64.167 63.100 0.369 0.000 0.808 104 P CB 0.081 32.020 31.700 0.398 0.000 0.779 105 E N 0.379 120.701 120.200 0.202 0.000 2.160 105 E HA -0.266 4.122 4.350 0.063 0.000 0.195 105 E C 1.918 178.517 176.600 -0.001 0.000 0.991 105 E CA 1.104 57.574 56.400 0.116 0.000 0.810 105 E CB -0.199 29.541 29.700 0.068 0.000 0.742 105 E HN -0.107 nan 8.360 nan 0.000 0.466 106 K N 0.027 120.340 120.400 -0.144 0.000 2.160 106 K HA -0.153 4.204 4.320 0.063 0.000 0.206 106 K C 0.624 176.794 176.600 -0.715 0.000 1.047 106 K CA 1.283 57.297 56.287 -0.456 0.000 0.930 106 K CB -0.219 31.867 32.500 -0.690 0.000 0.720 106 K HN 0.156 nan 8.250 nan 0.000 0.450 107 F N -0.439 119.426 119.950 -0.140 0.000 2.750 107 F HA 0.428 4.990 4.527 0.059 0.000 0.297 107 F C 0.718 176.480 175.800 -0.064 0.000 1.138 107 F CA -0.144 57.560 58.000 -0.494 0.000 1.346 107 F CB -0.012 38.567 39.000 -0.701 0.000 0.965 107 F HN 0.067 nan 8.300 nan 0.000 0.514 108 A N -0.212 122.714 122.820 0.177 0.000 2.887 108 A HA -0.327 4.030 4.320 0.063 0.000 0.257 108 A C 0.228 177.973 177.584 0.269 0.000 1.372 108 A CA 0.487 52.658 52.037 0.223 0.000 0.879 108 A CB -2.683 16.483 19.000 0.276 0.000 1.082 108 A HN 0.355 nan 8.150 nan 0.000 0.703 109 F N 1.610 121.662 119.950 0.169 0.000 2.351 109 F HA 0.462 5.025 4.527 0.060 0.000 0.362 109 F C 0.392 176.283 175.800 0.152 0.000 1.131 109 F CA -1.017 57.102 58.000 0.198 0.000 1.187 109 F CB 0.333 39.561 39.000 0.380 0.000 1.434 109 F HN 0.206 nan 8.300 nan 0.000 0.553 110 N N 6.286 124.931 118.700 -0.090 0.000 3.091 110 N HA 0.084 4.862 4.740 0.063 0.000 0.301 110 N C -0.769 174.669 175.510 -0.120 0.000 1.325 110 N CA 0.016 53.037 53.050 -0.049 0.000 1.143 110 N CB -0.001 38.474 38.487 -0.021 0.000 1.450 110 N HN 0.658 nan 8.380 nan 0.000 0.542 111 K N -3.088 117.229 120.400 -0.139 0.000 2.658 111 K HA 0.309 4.666 4.320 0.063 0.000 0.293 111 K C -0.684 175.952 176.600 0.059 0.000 1.026 111 K CA -0.990 55.231 56.287 -0.111 0.000 0.871 111 K CB 0.930 33.273 32.500 -0.261 0.000 1.524 111 K HN -0.153 nan 8.250 nan 0.000 0.400 112 V N -0.348 119.616 119.914 0.083 0.000 2.775 112 V HA 0.268 4.425 4.120 0.063 0.000 0.299 112 V C 1.220 177.452 176.094 0.231 0.000 1.062 112 V CA -0.309 62.073 62.300 0.137 0.000 1.063 112 V CB 0.563 32.430 31.823 0.073 0.000 0.994 112 V HN 0.843 nan 8.190 nan 0.000 0.483 113 I N 2.731 123.417 120.570 0.194 0.000 2.333 113 I HA 0.088 4.296 4.170 0.063 0.000 0.246 113 I C 1.353 177.522 176.117 0.086 0.000 1.106 113 I CA 1.171 62.554 61.300 0.138 0.000 1.411 113 I CB -0.067 37.897 38.000 -0.060 0.000 1.082 113 I HN 0.935 nan 8.210 nan 0.000 0.420 114 R N -0.569 119.957 120.500 0.043 0.000 2.716 114 R HA 0.388 4.765 4.340 0.063 0.000 0.271 114 R C -0.462 175.841 176.300 0.005 0.000 1.028 114 R CA -0.757 55.355 56.100 0.020 0.000 0.883 114 R CB 0.598 30.890 30.300 -0.013 0.000 1.250 114 R HN -0.082 nan 8.270 nan 0.000 0.465 115 T N -1.601 112.953 114.554 -0.001 0.000 2.813 115 T HA 0.092 4.480 4.350 0.063 0.000 0.297 115 T C 0.747 175.430 174.700 -0.028 0.000 1.036 115 T CA -0.284 61.812 62.100 -0.007 0.000 1.044 115 T CB 1.045 69.911 68.868 -0.004 0.000 0.993 115 T HN 0.729 nan 8.240 nan 0.000 0.535 116 E N 0.339 120.525 120.200 -0.024 0.000 2.208 116 E HA -0.011 4.376 4.350 0.063 0.000 0.193 116 E C 1.851 178.428 176.600 -0.039 0.000 0.988 116 E CA 0.739 57.118 56.400 -0.036 0.000 0.828 116 E CB -0.270 29.417 29.700 -0.021 0.000 0.763 116 E HN 0.607 nan 8.360 nan 0.000 0.478 117 N N 0.282 118.965 118.700 -0.029 0.000 2.270 117 N HA -0.056 4.721 4.740 0.063 0.000 0.181 117 N C 0.088 175.574 175.510 -0.039 0.000 1.016 117 N CA 0.431 53.464 53.050 -0.028 0.000 0.870 117 N CB -0.004 38.472 38.487 -0.018 0.000 0.979 117 N HN 0.269 nan 8.380 nan 0.000 0.431 118 Q N 0.449 120.223 119.800 -0.043 0.000 2.421 118 Q HA 0.106 4.484 4.340 0.063 0.000 0.255 118 Q C 0.433 176.381 176.000 -0.088 0.000 1.013 118 Q CA 0.123 55.893 55.803 -0.055 0.000 0.895 118 Q CB 0.554 29.267 28.738 -0.041 0.000 1.271 118 Q HN 0.251 nan 8.270 nan 0.000 0.460 119 N N 0.760 119.396 118.700 -0.107 0.000 2.414 119 N HA 0.017 4.794 4.740 0.063 0.000 0.177 119 N C -0.431 174.935 175.510 -0.239 0.000 1.062 119 N CA 0.500 53.454 53.050 -0.159 0.000 0.890 119 N CB 0.545 38.941 38.487 -0.152 0.000 1.070 119 N HN 0.439 nan 8.380 nan 0.000 0.454 120 E N 0.253 120.339 120.200 -0.190 0.000 2.214 120 E HA 0.483 4.871 4.350 0.063 0.000 0.274 120 E C -0.506 176.131 176.600 0.062 0.000 0.977 120 E CA -0.328 55.972 56.400 -0.166 0.000 0.827 120 E CB 1.904 31.530 29.700 -0.125 0.000 1.130 120 E HN 0.019 nan 8.360 nan 0.000 0.394 121 I N 2.054 122.804 120.570 0.300 0.000 2.389 121 I HA 0.209 4.417 4.170 0.063 0.000 0.288 121 I C -0.010 176.199 176.117 0.154 0.000 0.999 121 I CA -0.804 60.599 61.300 0.172 0.000 1.129 121 I CB 1.566 39.639 38.000 0.121 0.000 1.288 121 I HN 0.467 nan 8.210 nan 0.000 0.444 122 S N 5.964 121.734 115.700 0.117 0.000 2.573 122 S HA 0.155 4.662 4.470 0.063 0.000 0.277 122 S C 1.169 175.836 174.600 0.112 0.000 1.346 122 S CA -0.507 57.753 58.200 0.100 0.000 1.034 122 S CB 1.126 64.381 63.200 0.092 0.000 0.879 122 S HN 0.702 nan 8.310 nan 0.000 0.528 123 L N 0.950 122.223 121.223 0.084 0.000 2.046 123 L HA -0.127 4.250 4.340 0.063 0.000 0.208 123 L C 2.838 179.812 176.870 0.174 0.000 1.077 123 L CA 1.771 56.674 54.840 0.104 0.000 0.747 123 L CB -0.566 41.528 42.059 0.057 0.000 0.896 123 L HN 0.890 nan 8.230 nan 0.000 0.432 124 E N -0.319 119.961 120.200 0.134 0.000 2.058 124 E HA -0.314 4.074 4.350 0.063 0.000 0.194 124 E C 2.094 178.796 176.600 0.170 0.000 0.997 124 E CA 1.496 57.977 56.400 0.135 0.000 0.801 124 E CB 0.058 29.823 29.700 0.107 0.000 0.746 124 E HN 0.191 nan 8.360 nan 0.000 0.450 125 K N 0.479 120.990 120.400 0.186 0.000 2.057 125 K HA -0.147 4.211 4.320 0.063 0.000 0.206 125 K C 1.758 178.467 176.600 0.182 0.000 1.050 125 K CA 0.916 57.336 56.287 0.220 0.000 0.935 125 K CB -0.476 32.147 32.500 0.206 0.000 0.715 125 K HN 0.049 nan 8.250 nan 0.000 0.439 126 F N 1.519 121.490 119.950 0.034 0.000 2.069 126 F HA -0.257 4.310 4.527 0.066 0.000 0.298 126 F C 1.640 177.470 175.800 0.050 0.000 1.113 126 F CA 1.854 59.860 58.000 0.010 0.000 1.214 126 F CB -0.414 38.576 39.000 -0.017 0.000 0.978 126 F HN 0.139 nan 8.300 nan 0.000 0.474 127 N N 0.480 119.262 118.700 0.138 0.000 2.223 127 N HA -0.197 4.580 4.740 0.063 0.000 0.185 127 N C 1.914 177.426 175.510 0.003 0.000 1.016 127 N CA 1.379 54.448 53.050 0.032 0.000 0.863 127 N CB -0.583 37.975 38.487 0.118 0.000 0.983 127 N HN 0.558 nan 8.380 nan 0.000 0.429 128 E N -0.333 119.919 120.200 0.088 0.000 2.106 128 E HA -0.154 4.233 4.350 0.063 0.000 0.192 128 E C 1.642 178.317 176.600 0.124 0.000 0.984 128 E CA 0.557 57.057 56.400 0.167 0.000 0.806 128 E CB -0.090 29.802 29.700 0.321 0.000 0.750 128 E HN 0.247 nan 8.360 nan 0.000 0.458 129 F N 1.960 121.732 119.950 -0.296 0.000 2.102 129 F HA -0.143 4.424 4.527 0.067 0.000 0.298 129 F C 2.292 177.874 175.800 -0.363 0.000 1.105 129 F CA 1.680 59.305 58.000 -0.625 0.000 1.239 129 F CB -0.184 38.288 39.000 -0.879 0.000 0.991 129 F HN -0.145 nan 8.300 nan 0.000 0.474 130 K N 0.453 120.637 120.400 -0.360 0.000 2.020 130 K HA -0.282 4.075 4.320 0.063 0.000 0.212 130 K C 2.214 178.663 176.600 -0.252 0.000 1.050 130 K CA 2.297 58.369 56.287 -0.359 0.000 0.929 130 K CB -0.515 31.798 32.500 -0.312 0.000 0.714 130 K HN 0.427 nan 8.250 nan 0.000 0.443 131 E N 0.121 120.236 120.200 -0.142 0.000 2.153 131 E HA -0.140 4.248 4.350 0.063 0.000 0.194 131 E C 1.838 178.406 176.600 -0.055 0.000 0.988 131 E CA 1.869 58.229 56.400 -0.067 0.000 0.811 131 E CB -1.159 28.538 29.700 -0.005 0.000 0.746 131 E HN 0.561 nan 8.360 nan 0.000 0.466 132 T N 0.459 114.968 114.554 -0.075 0.000 2.857 132 T HA 0.007 4.395 4.350 0.063 0.000 0.266 132 T C 2.079 176.763 174.700 -0.027 0.000 1.048 132 T CA 1.393 63.491 62.100 -0.003 0.000 1.139 132 T CB -0.342 68.596 68.868 0.116 0.000 0.874 132 T HN 0.714 nan 8.240 nan 0.000 0.455 133 I N -1.098 119.337 120.570 -0.225 0.000 3.793 133 I HA 0.281 4.489 4.170 0.063 0.000 0.315 133 I C 0.532 176.626 176.117 -0.038 0.000 1.275 133 I CA -0.254 60.978 61.300 -0.112 0.000 1.214 133 I CB -0.309 37.378 38.000 -0.522 0.000 1.018 133 I HN 0.020 nan 8.210 nan 0.000 0.439 134 Q N 2.743 122.492 119.800 -0.085 0.000 2.337 134 Q HA 0.086 4.464 4.340 0.063 0.000 0.270 134 Q C -0.060 175.908 176.000 -0.052 0.000 1.002 134 Q CA 0.069 55.829 55.803 -0.071 0.000 0.888 134 Q CB 0.335 29.031 28.738 -0.069 0.000 1.222 134 Q HN 0.399 nan 8.270 nan 0.000 0.400 135 N N 1.789 120.455 118.700 -0.056 0.000 2.735 135 N HA -0.188 4.590 4.740 0.063 0.000 0.248 135 N C -1.322 174.129 175.510 -0.097 0.000 1.083 135 N CA 1.266 54.278 53.050 -0.063 0.000 0.703 135 N CB -0.690 37.767 38.487 -0.050 0.000 1.005 135 N HN 0.498 nan 8.380 nan 0.000 0.550 136 K N 0.120 120.439 120.400 -0.136 0.000 2.375 136 K HA 0.589 4.946 4.320 0.063 0.000 0.249 136 K C -0.119 176.273 176.600 -0.347 0.000 0.942 136 K CA -0.598 55.502 56.287 -0.312 0.000 0.806 136 K CB 2.025 34.212 32.500 -0.522 0.000 1.227 136 K HN -0.044 nan 8.250 nan 0.000 0.430 137 L N 2.889 123.884 121.223 -0.380 0.000 2.325 137 L HA 0.542 4.920 4.340 0.063 0.000 0.278 137 L C -1.072 175.563 176.870 -0.392 0.000 1.023 137 L CA -0.785 53.914 54.840 -0.234 0.000 0.811 137 L CB 0.733 42.733 42.059 -0.098 0.000 1.249 137 L HN 0.472 nan 8.230 nan 0.000 0.431 138 F N 1.488 121.514 119.950 0.127 0.000 2.493 138 F HA 0.394 4.961 4.527 0.068 0.000 0.329 138 F C 0.105 175.985 175.800 0.133 0.000 1.126 138 F CA -0.925 57.173 58.000 0.163 0.000 0.937 138 F CB 1.528 40.724 39.000 0.327 0.000 1.146 138 F HN 0.234 nan 8.300 nan 0.000 0.442 139 K N 3.706 124.238 120.400 0.221 0.000 2.379 139 K HA 0.230 4.588 4.320 0.063 0.000 0.284 139 K C -0.464 176.190 176.600 0.090 0.000 1.044 139 K CA -0.457 55.899 56.287 0.114 0.000 0.974 139 K CB 0.533 33.058 32.500 0.040 0.000 0.962 139 K HN 0.441 nan 8.250 nan 0.000 0.474 140 Q N 2.752 122.560 119.800 0.013 0.000 2.333 140 Q HA 0.365 4.743 4.340 0.063 0.000 0.267 140 Q C -0.894 174.953 176.000 -0.254 0.000 1.012 140 Q CA -0.331 55.419 55.803 -0.087 0.000 0.824 140 Q CB 2.277 30.993 28.738 -0.036 0.000 1.290 140 Q HN 0.576 nan 8.270 nan 0.000 0.449 141 D N 0.327 120.607 120.400 -0.200 0.000 2.756 141 D HA 0.648 5.326 4.640 0.063 0.000 0.226 141 D C -0.084 176.090 176.300 -0.210 0.000 1.186 141 D CA -0.230 53.636 54.000 -0.224 0.000 0.845 141 D CB 2.533 43.236 40.800 -0.162 0.000 1.610 141 D HN 0.647 nan 8.370 nan 0.000 0.465 142 G N 0.273 108.916 108.800 -0.262 0.000 2.663 142 G HA2 -0.114 3.883 3.960 0.063 0.000 0.686 142 G HA3 -0.114 3.883 3.960 0.063 0.000 0.686 142 G C -0.800 173.964 174.900 -0.228 0.000 1.288 142 G CA -1.114 43.806 45.100 -0.300 0.000 0.836 142 G HN 0.242 nan 8.290 nan 0.000 0.584 143 F N 0.641 120.606 119.950 0.026 0.000 2.563 143 F HA 0.579 5.145 4.527 0.064 0.000 0.363 143 F C 1.046 176.849 175.800 0.005 0.000 1.123 143 F CA 0.549 58.549 58.000 0.001 0.000 1.307 143 F CB 1.183 40.189 39.000 0.010 0.000 1.115 143 F HN 0.604 nan 8.300 nan 0.000 0.592 144 K N 2.003 122.512 120.400 0.181 0.000 2.513 144 K HA 0.224 4.581 4.320 0.063 0.000 0.251 144 K C -1.624 175.042 176.600 0.109 0.000 0.939 144 K CA -0.719 55.615 56.287 0.078 0.000 0.793 144 K CB 1.288 33.706 32.500 -0.136 0.000 1.241 144 K HN 0.531 nan 8.250 nan 0.000 0.431 145 D N 4.751 125.252 120.400 0.168 0.000 2.317 145 D HA 0.200 4.877 4.640 0.063 0.000 0.252 145 D C 0.017 176.403 176.300 0.144 0.000 1.174 145 D CA 0.040 54.160 54.000 0.200 0.000 0.866 145 D CB 0.727 41.685 40.800 0.263 0.000 1.127 145 D HN 0.404 nan 8.370 nan 0.000 0.467 146 I N -1.059 119.598 120.570 0.145 0.000 2.957 146 I HA 0.524 4.731 4.170 0.063 0.000 0.310 146 I C -0.207 175.984 176.117 0.123 0.000 1.063 146 I CA -0.881 60.518 61.300 0.164 0.000 1.033 146 I CB 1.942 40.052 38.000 0.184 0.000 1.230 146 I HN 0.032 nan 8.210 nan 0.000 0.447 147 S N 1.736 117.487 115.700 0.084 0.000 2.532 147 S HA 0.660 5.167 4.470 0.063 0.000 0.301 147 S C 0.322 174.937 174.600 0.025 0.000 1.083 147 S CA -0.730 57.408 58.200 -0.104 0.000 1.025 147 S CB 1.073 63.988 63.200 -0.475 0.000 1.056 147 S HN 0.694 nan 8.310 nan 0.000 0.494 148 L N 3.065 124.305 121.223 0.029 0.000 2.592 148 L HA 0.383 4.760 4.340 0.063 0.000 0.227 148 L C 0.079 177.168 176.870 0.365 0.000 1.127 148 L CA -0.283 54.711 54.840 0.257 0.000 0.884 148 L CB -0.010 42.241 42.059 0.320 0.000 1.065 148 L HN 0.602 nan 8.230 nan 0.000 0.457 149 W N -0.765 120.628 121.300 0.154 0.000 3.031 149 W HA 0.454 5.153 4.660 0.064 0.000 0.337 149 W C -0.604 175.524 176.519 -0.653 0.000 1.187 149 W CA -1.058 56.227 57.345 -0.099 0.000 1.166 149 W CB 0.738 30.155 29.460 -0.073 0.000 1.437 149 W HN -0.232 nan 8.180 nan 0.000 0.551 150 E N 2.878 122.587 120.200 -0.818 0.000 2.351 150 E HA 0.180 4.567 4.350 0.063 0.000 0.266 150 E C -1.958 174.417 176.600 -0.376 0.000 1.031 150 E CA -1.668 54.038 56.400 -1.157 0.000 0.911 150 E CB 0.702 29.949 29.700 -0.756 0.000 0.986 150 E HN -0.123 nan 8.360 nan 0.000 0.446 151 P HA 0.031 nan 4.420 nan 0.000 0.264 151 P C -0.366 176.948 177.300 0.023 0.000 1.193 151 P CA 0.109 63.134 63.100 -0.126 0.000 0.763 151 P CB 1.091 32.790 31.700 -0.002 0.000 0.810 152 G N 1.162 110.064 108.800 0.169 0.000 3.209 152 G HA2 0.560 4.557 3.960 0.063 0.000 0.236 152 G HA3 0.560 4.557 3.960 0.063 0.000 0.236 152 G C -0.509 174.432 174.900 0.068 0.000 1.329 152 G CA -0.656 44.497 45.100 0.088 0.000 1.015 152 G HN 0.392 nan 8.290 nan 0.000 0.571 153 K N -0.310 120.118 120.400 0.047 0.000 2.199 153 K HA 0.522 4.880 4.320 0.063 0.000 0.226 153 K C 0.893 177.518 176.600 0.042 0.000 1.237 153 K CA 0.535 56.846 56.287 0.041 0.000 1.170 153 K CB -0.597 31.921 32.500 0.030 0.000 1.418 153 K HN 1.987 nan 8.250 nan 0.000 0.255 154 G N -0.192 108.642 108.800 0.057 0.000 4.362 154 G HA2 -0.001 3.997 3.960 0.063 0.000 0.220 154 G HA3 -0.001 3.997 3.960 0.063 0.000 0.220 154 G C -0.490 174.461 174.900 0.084 0.000 0.795 154 G CA -0.223 44.912 45.100 0.058 0.000 0.920 154 G HN 0.529 nan 8.290 nan 0.000 0.715 155 D N 0.952 121.413 120.400 0.102 0.000 2.385 155 D HA 0.555 5.233 4.640 0.063 0.000 0.254 155 D C 0.356 176.671 176.300 0.024 0.000 1.053 155 D CA 0.174 54.239 54.000 0.108 0.000 0.992 155 D CB 1.132 42.028 40.800 0.159 0.000 1.145 155 D HN 0.332 nan 8.370 nan 0.000 0.523 156 E N 0.519 120.721 120.200 0.004 0.000 2.257 156 E HA 0.183 4.570 4.350 0.063 0.000 0.278 156 E C -0.351 176.102 176.600 -0.245 0.000 1.049 156 E CA -0.277 56.079 56.400 -0.073 0.000 0.876 156 E CB -0.039 29.642 29.700 -0.033 0.000 1.035 156 E HN 0.235 nan 8.360 nan 0.000 0.419 157 K N 4.004 124.174 120.400 -0.383 0.000 2.624 157 K HA 0.241 4.599 4.320 0.063 0.000 0.200 157 K C -2.004 174.223 176.600 -0.622 0.000 1.036 157 K CA -1.476 54.257 56.287 -0.924 0.000 1.029 157 K CB 2.036 34.223 32.500 -0.521 0.000 1.317 157 K HN 0.388 nan 8.250 nan 0.000 0.555 158 P HA -0.085 nan 4.420 nan 0.000 0.236 158 P C 0.132 177.381 177.300 -0.085 0.000 1.177 158 P CA 0.763 63.738 63.100 -0.208 0.000 0.773 158 P CB 0.291 31.930 31.700 -0.102 0.000 0.878 159 T N -4.799 109.721 114.554 -0.057 0.000 2.864 159 T HA 0.484 4.872 4.350 0.063 0.000 0.299 159 T C -2.836 172.048 174.700 0.308 0.000 1.166 159 T CA -1.932 60.255 62.100 0.145 0.000 1.007 159 T CB 2.134 71.138 68.868 0.228 0.000 1.219 159 T HN -0.362 nan 8.240 nan 0.000 0.506 160 P HA 0.261 nan 4.420 nan 0.000 0.245 160 P C -0.257 177.206 177.300 0.272 0.000 1.212 160 P CA -0.078 63.104 63.100 0.136 0.000 0.774 160 P CB -0.042 31.616 31.700 -0.070 0.000 0.999 161 L N 0.436 121.833 121.223 0.290 0.000 2.319 161 L HA 0.529 4.907 4.340 0.063 0.000 0.281 161 L C -1.098 175.851 176.870 0.131 0.000 1.005 161 L CA -1.107 53.812 54.840 0.132 0.000 0.828 161 L CB 1.196 43.261 42.059 0.011 0.000 1.227 161 L HN -0.251 nan 8.230 nan 0.000 0.415 162 L N 6.242 127.428 121.223 -0.062 0.000 2.298 162 L HA 0.607 4.984 4.340 0.063 0.000 0.284 162 L C -0.848 175.858 176.870 -0.273 0.000 1.013 162 L CA -0.372 54.227 54.840 -0.402 0.000 0.824 162 L CB 1.357 43.090 42.059 -0.542 0.000 1.221 162 L HN 0.534 nan 8.230 nan 0.000 0.418 163 M N 4.733 124.089 119.600 -0.406 0.000 2.180 163 M HA 0.252 4.770 4.480 0.063 0.000 0.358 163 M C -0.318 175.794 176.300 -0.312 0.000 1.233 163 M CA 0.176 55.226 55.300 -0.417 0.000 1.114 163 M CB 0.415 32.503 32.600 -0.853 0.000 1.594 163 M HN 0.626 nan 8.290 nan 0.000 0.467 164 H N 3.855 122.742 119.070 -0.304 0.000 2.786 164 H HA 0.463 5.057 4.556 0.062 0.000 0.284 164 H C -1.789 173.479 175.328 -0.101 0.000 1.104 164 H CA -0.732 55.111 56.048 -0.342 0.000 1.339 164 H CB 0.986 30.545 29.762 -0.338 0.000 1.427 164 H HN 0.537 nan 8.280 nan 0.000 0.497 165 L N 5.037 126.157 121.223 -0.172 0.000 2.296 165 L HA 0.304 4.682 4.340 0.063 0.000 0.286 165 L C -0.381 176.254 176.870 -0.391 0.000 1.023 165 L CA -0.488 54.252 54.840 -0.167 0.000 0.812 165 L CB 1.333 43.407 42.059 0.024 0.000 1.223 165 L HN 0.463 nan 8.230 nan 0.000 0.421 166 K N 5.953 125.968 120.400 -0.640 0.000 2.273 166 K HA 0.357 4.715 4.320 0.063 0.000 0.287 166 K C -1.078 175.211 176.600 -0.518 0.000 1.089 166 K CA -0.375 55.334 56.287 -0.964 0.000 0.909 166 K CB 0.180 31.995 32.500 -1.140 0.000 1.123 166 K HN 0.698 nan 8.250 nan 0.000 0.473 167 L N 7.385 128.369 121.223 -0.398 0.000 2.331 167 L HA 0.321 4.699 4.340 0.063 0.000 0.278 167 L C -1.769 174.954 176.870 -0.246 0.000 1.106 167 L CA -2.089 52.580 54.840 -0.286 0.000 0.824 167 L CB 0.766 42.730 42.059 -0.158 0.000 1.142 167 L HN 0.556 nan 8.230 nan 0.000 0.443 168 P HA 0.046 nan 4.420 nan 0.000 0.274 168 P C -0.582 176.658 177.300 -0.100 0.000 1.246 168 P CA -0.669 62.336 63.100 -0.157 0.000 0.795 168 P CB 0.599 32.213 31.700 -0.144 0.000 1.006 169 R N 1.685 122.140 120.500 -0.074 0.000 2.619 169 R HA -0.149 4.228 4.340 0.063 0.000 0.268 169 R C 0.183 176.466 176.300 -0.028 0.000 0.990 169 R CA 0.851 56.926 56.100 -0.040 0.000 1.092 169 R CB -0.863 29.419 30.300 -0.031 0.000 0.935 169 R HN 0.528 nan 8.270 nan 0.000 0.415 170 N N 0.258 118.952 118.700 -0.009 0.000 2.850 170 N HA -0.155 4.622 4.740 0.063 0.000 0.249 170 N C -1.251 174.263 175.510 0.006 0.000 1.060 170 N CA 1.616 54.667 53.050 0.002 0.000 0.825 170 N CB -0.947 37.539 38.487 -0.001 0.000 1.132 170 N HN 0.633 nan 8.380 nan 0.000 0.564 171 T N 0.298 114.854 114.554 0.003 0.000 2.901 171 T HA 0.440 4.828 4.350 0.063 0.000 0.301 171 T C 1.183 175.908 174.700 0.041 0.000 1.012 171 T CA 0.181 62.294 62.100 0.022 0.000 1.135 171 T CB 1.036 69.909 68.868 0.009 0.000 0.936 171 T HN 0.353 nan 8.240 nan 0.000 0.539 172 G N 2.577 111.406 108.800 0.049 0.000 2.406 172 G HA2 0.489 4.486 3.960 0.063 0.000 0.251 172 G HA3 0.489 4.486 3.960 0.063 0.000 0.251 172 G C -0.630 174.308 174.900 0.064 0.000 1.271 172 G CA -0.426 44.703 45.100 0.048 0.000 0.859 172 G HN 0.702 nan 8.290 nan 0.000 0.540 173 M N 2.711 122.351 119.600 0.066 0.000 2.271 173 M HA 0.422 4.940 4.480 0.063 0.000 0.285 173 M C -1.849 174.496 176.300 0.075 0.000 1.059 173 M CA -0.918 54.436 55.300 0.089 0.000 0.940 173 M CB 2.072 34.748 32.600 0.126 0.000 1.636 173 M HN 0.406 nan 8.290 nan 0.000 0.460 174 L N 8.140 129.406 121.223 0.073 0.000 2.366 174 L HA 0.657 5.035 4.340 0.063 0.000 0.266 174 L C -2.602 174.360 176.870 0.152 0.000 1.010 174 L CA -1.562 53.315 54.840 0.061 0.000 0.879 174 L CB 1.127 43.174 42.059 -0.020 0.000 1.228 174 L HN 0.354 nan 8.230 nan 0.000 0.439 175 P HA 0.298 nan 4.420 nan 0.000 0.276 175 P C -1.769 175.624 177.300 0.154 0.000 1.230 175 P CA 0.275 63.434 63.100 0.098 0.000 0.776 175 P CB 0.414 32.101 31.700 -0.022 0.000 0.888 176 Y N -1.275 119.023 120.300 -0.003 0.000 2.597 176 Y HA 0.694 5.281 4.550 0.062 0.000 0.340 176 Y C -0.671 175.240 175.900 0.019 0.000 1.097 176 Y CA -1.284 56.812 58.100 -0.005 0.000 1.037 176 Y CB 0.671 39.124 38.460 -0.012 0.000 1.305 176 Y HN 0.350 nan 8.280 nan 0.000 0.463 177 T N 0.602 115.193 114.554 0.061 0.000 2.837 177 T HA 0.453 4.840 4.350 0.063 0.000 0.285 177 T C -0.856 173.898 174.700 0.091 0.000 0.984 177 T CA -0.606 61.490 62.100 -0.007 0.000 1.049 177 T CB 1.224 70.102 68.868 0.018 0.000 0.947 177 T HN 0.718 nan 8.240 nan 0.000 0.472 178 N N 2.493 121.207 118.700 0.023 0.000 2.540 178 N HA 0.329 5.107 4.740 0.063 0.000 0.275 178 N C 0.571 176.109 175.510 0.047 0.000 1.053 178 N CA 0.732 53.838 53.050 0.094 0.000 0.876 178 N CB 0.919 39.490 38.487 0.140 0.000 1.284 178 N HN 1.230 nan 8.380 nan 0.000 0.518 179 T N 0.147 114.729 114.554 0.047 0.000 14.059 179 T HA -0.396 3.992 4.350 0.063 0.000 0.419 179 T C 1.078 175.789 174.700 0.019 0.000 1.441 179 T CA 1.578 63.695 62.100 0.030 0.000 2.333 179 T CB -1.634 67.250 68.868 0.027 0.000 2.762 179 T HN 0.546 nan 8.240 nan 0.000 0.312 180 N N 2.370 121.079 118.700 0.015 0.000 2.383 180 N HA 0.273 5.050 4.740 0.063 0.000 0.192 180 N C 0.472 175.987 175.510 0.008 0.000 1.141 180 N CA 0.551 53.608 53.050 0.010 0.000 0.851 180 N CB -0.491 38.003 38.487 0.011 0.000 0.976 180 N HN 0.762 nan 8.380 nan 0.000 0.465 181 N N -0.397 118.305 118.700 0.004 0.000 2.443 181 N HA 0.606 5.384 4.740 0.063 0.000 0.293 181 N C -1.035 174.445 175.510 -0.049 0.000 1.159 181 N CA -0.338 52.709 53.050 -0.003 0.000 0.904 181 N CB 2.110 40.601 38.487 0.007 0.000 1.214 181 N HN 0.067 nan 8.380 nan 0.000 0.513 182 V N -0.165 119.718 119.914 -0.052 0.000 2.540 182 V HA 0.605 4.763 4.120 0.063 0.000 0.302 182 V C 0.112 176.110 176.094 -0.160 0.000 1.035 182 V CA -0.619 61.608 62.300 -0.121 0.000 0.873 182 V CB 1.539 33.343 31.823 -0.031 0.000 0.992 182 V HN 0.665 nan 8.190 nan 0.000 0.428 183 S N 2.099 117.545 115.700 -0.423 0.000 2.667 183 S HA 0.813 5.320 4.470 0.063 0.000 0.292 183 S C -0.699 173.758 174.600 -0.240 0.000 1.126 183 S CA -0.364 57.645 58.200 -0.319 0.000 0.881 183 S CB 2.377 65.384 63.200 -0.321 0.000 1.132 183 S HN 0.799 nan 8.310 nan 0.000 0.492 184 T N 2.424 117.010 114.554 0.054 0.000 2.841 184 T HA 0.537 4.925 4.350 0.063 0.000 0.285 184 T C -1.412 173.433 174.700 0.242 0.000 0.991 184 T CA -0.324 61.884 62.100 0.180 0.000 0.966 184 T CB 1.198 70.174 68.868 0.180 0.000 0.962 184 T HN 0.413 nan 8.240 nan 0.000 0.438 185 L N 5.418 126.787 121.223 0.243 0.000 2.295 185 L HA 0.750 5.127 4.340 0.063 0.000 0.285 185 L C -0.535 176.379 176.870 0.073 0.000 1.035 185 L CA -0.663 54.241 54.840 0.107 0.000 0.806 185 L CB 0.703 42.680 42.059 -0.138 0.000 1.214 185 L HN 0.697 nan 8.230 nan 0.000 0.426 186 I N 0.114 120.738 120.570 0.089 0.000 2.957 186 I HA 0.617 4.825 4.170 0.063 0.000 0.310 186 I C -0.797 175.411 176.117 0.152 0.000 1.063 186 I CA -0.744 60.619 61.300 0.105 0.000 1.033 186 I CB 2.060 40.128 38.000 0.113 0.000 1.230 186 I HN 0.640 nan 8.210 nan 0.000 0.447 187 E N 3.117 123.400 120.200 0.138 0.000 2.145 187 E HA 0.287 4.674 4.350 0.063 0.000 0.262 187 E C -1.179 175.395 176.600 -0.043 0.000 0.883 187 E CA -0.639 55.810 56.400 0.082 0.000 0.748 187 E CB 1.312 31.063 29.700 0.086 0.000 1.140 187 E HN 0.638 nan 8.360 nan 0.000 0.417 188 Q N 1.646 121.339 119.800 -0.177 0.000 2.332 188 Q HA 0.409 4.787 4.340 0.063 0.000 0.263 188 Q C 0.250 175.913 176.000 -0.561 0.000 0.979 188 Q CA 0.050 55.539 55.803 -0.525 0.000 0.885 188 Q CB 1.230 29.659 28.738 -0.516 0.000 1.218 188 Q HN 0.628 nan 8.270 nan 0.000 0.405 189 G N 2.661 110.987 108.800 -0.790 0.000 4.485 189 G HA2 0.397 4.395 3.960 0.063 0.000 0.238 189 G HA3 0.397 4.395 3.960 0.063 0.000 0.238 189 G C -1.343 173.419 174.900 -0.231 0.000 1.216 189 G CA -0.286 44.587 45.100 -0.380 0.000 0.611 189 G HN 0.545 nan 8.290 nan 0.000 0.422 190 Y N -2.326 117.956 120.300 -0.030 0.000 2.779 190 Y HA 0.803 5.390 4.550 0.061 0.000 0.340 190 Y C -0.292 175.613 175.900 0.008 0.000 1.252 190 Y CA -1.830 56.254 58.100 -0.025 0.000 1.072 190 Y CB 0.301 38.748 38.460 -0.022 0.000 1.343 190 Y HN 0.026 nan 8.280 nan 0.000 0.450 191 S N 1.531 117.402 115.700 0.285 0.000 2.651 191 S HA 0.819 5.326 4.470 0.063 0.000 0.291 191 S C -0.515 174.259 174.600 0.290 0.000 1.141 191 S CA -0.677 57.666 58.200 0.237 0.000 1.027 191 S CB 0.913 64.179 63.200 0.110 0.000 1.043 191 S HN 0.740 nan 8.310 nan 0.000 0.530 192 I N -0.288 120.464 120.570 0.303 0.000 2.646 192 I HA 0.730 4.937 4.170 0.063 0.000 0.299 192 I C -0.939 175.303 176.117 0.208 0.000 1.036 192 I CA -1.098 60.343 61.300 0.236 0.000 1.074 192 I CB 1.974 40.150 38.000 0.294 0.000 1.258 192 I HN 0.548 nan 8.210 nan 0.000 0.430 193 K N 5.357 125.815 120.400 0.098 0.000 2.270 193 K HA 0.650 5.007 4.320 0.063 0.000 0.255 193 K C -1.343 175.262 176.600 0.009 0.000 0.936 193 K CA -0.721 55.606 56.287 0.066 0.000 0.809 193 K CB 2.508 35.013 32.500 0.009 0.000 1.131 193 K HN 0.696 nan 8.250 nan 0.000 0.427 194 I N 3.759 124.312 120.570 -0.028 0.000 2.291 194 I HA 0.013 4.221 4.170 0.063 0.000 0.292 194 I C 0.293 176.364 176.117 -0.076 0.000 1.064 194 I CA -0.433 60.804 61.300 -0.105 0.000 1.269 194 I CB 0.884 38.740 38.000 -0.240 0.000 1.418 194 I HN 0.741 nan 8.210 nan 0.000 0.485 195 D N 5.097 125.466 120.400 -0.052 0.000 2.162 195 D HA -0.003 4.674 4.640 0.063 0.000 0.203 195 D C 0.776 177.056 176.300 -0.033 0.000 0.967 195 D CA 1.302 55.280 54.000 -0.036 0.000 0.840 195 D CB 0.529 41.316 40.800 -0.022 0.000 0.972 195 D HN 0.415 nan 8.370 nan 0.000 0.482 196 K N 0.420 120.803 120.400 -0.028 0.000 2.542 196 K HA 0.381 4.739 4.320 0.063 0.000 0.259 196 K C -1.501 175.098 176.600 -0.001 0.000 0.932 196 K CA -0.562 55.719 56.287 -0.009 0.000 0.820 196 K CB 2.216 34.725 32.500 0.016 0.000 1.345 196 K HN -0.064 nan 8.250 nan 0.000 0.432 197 I N 0.625 121.205 120.570 0.016 0.000 2.569 197 I HA 0.692 4.900 4.170 0.063 0.000 0.296 197 I C -0.552 175.721 176.117 0.261 0.000 1.028 197 I CA -1.055 60.290 61.300 0.074 0.000 1.082 197 I CB 1.894 39.872 38.000 -0.037 0.000 1.264 197 I HN 0.266 nan 8.210 nan 0.000 0.429 198 V N 2.062 122.143 119.914 0.278 0.000 2.841 198 V HA 0.600 4.758 4.120 0.063 0.000 0.310 198 V C -0.436 175.764 176.094 0.176 0.000 1.090 198 V CA -0.909 61.536 62.300 0.242 0.000 0.930 198 V CB 1.740 33.612 31.823 0.083 0.000 1.014 198 V HN 1.001 nan 8.190 nan 0.000 0.425 199 R N 3.797 124.226 120.500 -0.118 0.000 2.248 199 R HA 0.691 5.068 4.340 0.063 0.000 0.328 199 R C -0.308 175.897 176.300 -0.158 0.000 1.067 199 R CA -0.291 55.663 56.100 -0.243 0.000 0.924 199 R CB 0.574 30.466 30.300 -0.680 0.000 1.013 199 R HN 0.946 nan 8.270 nan 0.000 0.454 200 I N 0.657 121.214 120.570 -0.022 0.000 2.910 200 I HA 0.581 4.789 4.170 0.063 0.000 0.310 200 I C -0.952 175.258 176.117 0.156 0.000 1.043 200 I CA -1.294 60.030 61.300 0.040 0.000 1.053 200 I CB 2.169 40.197 38.000 0.047 0.000 1.242 200 I HN 0.154 nan 8.210 nan 0.000 0.452 201 V N 4.403 124.410 119.914 0.155 0.000 2.448 201 V HA 0.524 4.682 4.120 0.063 0.000 0.295 201 V C -0.202 175.996 176.094 0.173 0.000 1.025 201 V CA -0.340 62.095 62.300 0.224 0.000 0.859 201 V CB 1.463 33.391 31.823 0.175 0.000 0.988 201 V HN 0.521 nan 8.190 nan 0.000 0.431 202 I N 3.281 124.003 120.570 0.253 0.000 2.468 202 I HA 0.412 4.620 4.170 0.063 0.000 0.285 202 I C -0.113 176.115 176.117 0.185 0.000 1.039 202 I CA -0.486 60.897 61.300 0.137 0.000 1.074 202 I CB 1.676 39.642 38.000 -0.058 0.000 1.228 202 I HN 0.680 nan 8.210 nan 0.000 0.436 203 D N 5.346 125.808 120.400 0.103 0.000 2.689 203 D HA -0.185 4.492 4.640 0.063 0.000 0.237 203 D C 1.115 177.464 176.300 0.081 0.000 1.148 203 D CA 1.736 55.786 54.000 0.083 0.000 0.656 203 D CB -0.660 40.189 40.800 0.081 0.000 1.050 203 D HN 1.144 nan 8.370 nan 0.000 0.426 204 G N -0.320 108.521 108.800 0.069 0.000 2.155 204 G HA2 -0.351 3.646 3.960 0.063 0.000 0.257 204 G HA3 -0.351 3.646 3.960 0.063 0.000 0.257 204 G C 0.278 175.178 174.900 -0.001 0.000 0.983 204 G CA 0.790 45.906 45.100 0.026 0.000 0.676 204 G HN 0.607 nan 8.290 nan 0.000 0.528 205 K N -0.268 120.173 120.400 0.067 0.000 2.318 205 K HA 0.503 4.861 4.320 0.063 0.000 0.249 205 K C -0.309 176.332 176.600 0.068 0.000 0.942 205 K CA -0.926 55.350 56.287 -0.018 0.000 0.808 205 K CB 1.567 34.031 32.500 -0.060 0.000 1.189 205 K HN 0.409 nan 8.250 nan 0.000 0.428 206 H N 1.063 120.070 119.070 -0.104 0.000 2.683 206 H HA 0.148 4.742 4.556 0.063 0.000 0.339 206 H C -0.874 174.310 175.328 -0.240 0.000 1.081 206 H CA -0.074 55.930 56.048 -0.072 0.000 1.432 206 H CB 0.550 30.265 29.762 -0.077 0.000 1.462 206 H HN 0.395 nan 8.280 nan 0.000 0.557 207 Y N 1.282 121.668 120.300 0.143 0.000 2.576 207 Y HA 0.323 4.910 4.550 0.062 0.000 0.346 207 Y C -0.114 175.811 175.900 0.043 0.000 1.018 207 Y CA -0.979 57.179 58.100 0.097 0.000 1.050 207 Y CB 1.481 40.018 38.460 0.128 0.000 1.280 207 Y HN 0.393 nan 8.280 nan 0.000 0.474 208 I N 2.535 123.201 120.570 0.160 0.000 2.315 208 I HA 0.251 4.459 4.170 0.063 0.000 0.291 208 I C -0.370 175.794 176.117 0.079 0.000 1.006 208 I CA -0.610 60.751 61.300 0.102 0.000 1.265 208 I CB 1.190 39.147 38.000 -0.070 0.000 1.387 208 I HN 0.412 nan 8.210 nan 0.000 0.475 209 K N 6.209 126.661 120.400 0.087 0.000 2.253 209 K HA 0.633 4.991 4.320 0.063 0.000 0.277 209 K C -0.681 175.943 176.600 0.040 0.000 1.053 209 K CA -0.437 55.870 56.287 0.033 0.000 0.892 209 K CB 1.189 33.702 32.500 0.020 0.000 1.102 209 K HN 0.715 nan 8.250 nan 0.000 0.469 210 A N 4.933 127.752 122.820 -0.001 0.000 2.253 210 A HA 0.252 4.610 4.320 0.063 0.000 0.316 210 A C -0.733 176.840 177.584 -0.019 0.000 1.327 210 A CA -0.752 51.276 52.037 -0.015 0.000 0.917 210 A CB 0.484 19.448 19.000 -0.058 0.000 1.162 210 A HN 0.749 nan 8.150 nan 0.000 0.535 211 E N 1.555 121.759 120.200 0.007 0.000 2.180 211 E HA 0.447 4.834 4.350 0.063 0.000 0.283 211 E C -0.089 176.498 176.600 -0.021 0.000 1.061 211 E CA 0.181 56.596 56.400 0.024 0.000 0.861 211 E CB 1.413 31.141 29.700 0.047 0.000 1.056 211 E HN 0.661 nan 8.360 nan 0.000 0.407 212 A N 2.601 125.399 122.820 -0.038 0.000 2.401 212 A HA 0.692 5.050 4.320 0.063 0.000 0.310 212 A C -0.312 177.217 177.584 -0.091 0.000 1.075 212 A CA -0.639 51.364 52.037 -0.057 0.000 0.746 212 A CB 1.379 20.352 19.000 -0.045 0.000 1.277 212 A HN 0.578 nan 8.150 nan 0.000 0.425 213 S N -0.174 115.475 115.700 -0.086 0.000 2.632 213 S HA 0.748 5.256 4.470 0.063 0.000 0.289 213 S C -0.787 173.736 174.600 -0.128 0.000 1.115 213 S CA -0.740 57.375 58.200 -0.142 0.000 0.889 213 S CB 1.277 64.401 63.200 -0.126 0.000 1.116 213 S HN 0.843 nan 8.310 nan 0.000 0.486 214 V N 1.637 121.426 119.914 -0.207 0.000 2.465 214 V HA 0.468 4.626 4.120 0.063 0.000 0.279 214 V C -0.518 175.503 176.094 -0.122 0.000 1.045 214 V CA -0.459 61.699 62.300 -0.236 0.000 0.938 214 V CB 1.275 32.820 31.823 -0.464 0.000 0.986 214 V HN 0.756 nan 8.190 nan 0.000 0.467 215 V N 4.246 124.133 119.914 -0.045 0.000 2.409 215 V HA 0.382 4.540 4.120 0.063 0.000 0.291 215 V C 0.231 176.329 176.094 0.006 0.000 1.020 215 V CA -0.334 61.952 62.300 -0.023 0.000 0.848 215 V CB 1.933 33.750 31.823 -0.010 0.000 0.990 215 V HN 0.896 nan 8.190 nan 0.000 0.430 216 S N 2.876 118.567 115.700 -0.015 0.000 2.584 216 S HA 0.579 5.086 4.470 0.063 0.000 0.273 216 S C 0.047 174.627 174.600 -0.033 0.000 1.311 216 S CA -0.273 57.922 58.200 -0.008 0.000 1.034 216 S CB 1.373 64.556 63.200 -0.028 0.000 0.939 216 S HN 0.817 nan 8.310 nan 0.000 0.513 217 S N 2.062 117.728 115.700 -0.057 0.000 2.619 217 S HA 0.391 4.898 4.470 0.063 0.000 0.280 217 S C -1.053 173.429 174.600 -0.197 0.000 1.150 217 S CA -0.762 57.372 58.200 -0.110 0.000 0.978 217 S CB 0.633 63.777 63.200 -0.094 0.000 1.041 217 S HN 0.552 nan 8.310 nan 0.000 0.485 218 L N 4.536 125.589 121.223 -0.284 0.000 2.615 218 L HA 0.415 4.792 4.340 0.063 0.000 0.271 218 L C -0.509 176.018 176.870 -0.571 0.000 1.183 218 L CA 1.092 55.624 54.840 -0.513 0.000 0.933 218 L CB 0.078 41.747 42.059 -0.650 0.000 1.199 218 L HN 0.671 nan 8.230 nan 0.000 0.487 219 D N 4.186 124.227 120.400 -0.599 0.000 2.402 219 D HA 0.149 4.827 4.640 0.063 0.000 0.252 219 D C 0.495 176.557 176.300 -0.396 0.000 1.294 219 D CA -0.338 53.440 54.000 -0.371 0.000 0.948 219 D CB 0.435 41.124 40.800 -0.186 0.000 1.202 219 D HN 0.341 nan 8.370 nan 0.000 0.561 220 F N 2.763 122.655 119.950 -0.096 0.000 2.206 220 F HA 0.068 4.631 4.527 0.061 0.000 0.298 220 F C 1.961 177.675 175.800 -0.143 0.000 1.090 220 F CA 0.550 58.480 58.000 -0.116 0.000 1.323 220 F CB -0.198 38.730 39.000 -0.121 0.000 1.028 220 F HN 0.303 nan 8.300 nan 0.000 0.492 221 K N -0.341 120.050 120.400 -0.015 0.000 1.941 221 K HA -0.296 4.061 4.320 0.063 0.000 0.187 221 K C 0.914 177.338 176.600 -0.293 0.000 1.490 221 K CA 1.529 57.647 56.287 -0.281 0.000 0.446 221 K CB -1.472 30.851 32.500 -0.297 0.000 0.688 221 K HN 0.360 nan 8.250 nan 0.000 0.803 222 D N 1.373 121.599 120.400 -0.291 0.000 2.363 222 D HA -0.079 4.599 4.640 0.063 0.000 0.220 222 D C 0.341 176.545 176.300 -0.161 0.000 0.994 222 D CA 0.733 54.585 54.000 -0.248 0.000 0.890 222 D CB -0.231 40.430 40.800 -0.231 0.000 0.906 222 D HN 0.323 nan 8.370 nan 0.000 0.530 223 D N 1.536 121.880 120.400 -0.093 0.000 2.619 223 D HA 0.001 4.678 4.640 0.063 0.000 0.224 223 D C 1.798 178.019 176.300 -0.131 0.000 1.133 223 D CA -0.267 53.701 54.000 -0.055 0.000 1.017 223 D CB 0.688 41.511 40.800 0.039 0.000 1.077 223 D HN 0.019 nan 8.370 nan 0.000 0.503 224 V N 0.573 120.322 119.914 -0.275 0.000 2.626 224 V HA -0.123 4.034 4.120 0.063 0.000 0.252 224 V C 2.163 178.015 176.094 -0.403 0.000 1.067 224 V CA 1.489 63.457 62.300 -0.553 0.000 1.081 224 V CB -0.473 30.701 31.823 -1.081 0.000 0.686 224 V HN 0.306 nan 8.190 nan 0.000 0.468 225 S N 0.143 115.731 115.700 -0.186 0.000 2.371 225 S HA -0.151 4.357 4.470 0.063 0.000 0.224 225 S C 2.085 176.639 174.600 -0.077 0.000 1.029 225 S CA 1.717 59.889 58.200 -0.047 0.000 0.978 225 S CB -0.294 62.909 63.200 0.005 0.000 0.833 225 S HN 0.704 nan 8.310 nan 0.000 0.466 226 K N 0.140 120.478 120.400 -0.104 0.000 2.057 226 K HA -0.047 4.310 4.320 0.063 0.000 0.207 226 K C 2.248 178.563 176.600 -0.476 0.000 1.049 226 K CA 1.140 57.366 56.287 -0.102 0.000 0.931 226 K CB -0.641 31.918 32.500 0.098 0.000 0.714 226 K HN 0.484 nan 8.250 nan 0.000 0.440 227 G N 1.323 109.548 108.800 -0.959 0.000 2.418 227 G HA2 -0.312 3.685 3.960 0.063 0.000 0.217 227 G HA3 -0.312 3.685 3.960 0.063 0.000 0.217 227 G C 1.143 175.703 174.900 -0.568 0.000 1.158 227 G CA 1.209 45.348 45.100 -1.602 0.000 0.771 227 G HN 0.321 nan 8.290 nan 0.000 0.545 228 D N 0.215 120.494 120.400 -0.202 0.000 2.117 228 D HA -0.068 4.609 4.640 0.063 0.000 0.197 228 D C 2.663 178.917 176.300 -0.076 0.000 0.987 228 D CA 1.387 55.411 54.000 0.039 0.000 0.829 228 D CB -0.107 40.888 40.800 0.324 0.000 0.961 228 D HN 0.214 nan 8.370 nan 0.000 0.460 229 S N -0.666 115.001 115.700 -0.056 0.000 2.359 229 S HA -0.159 4.349 4.470 0.063 0.000 0.224 229 S C 1.487 176.071 174.600 -0.026 0.000 1.035 229 S CA 1.219 59.408 58.200 -0.019 0.000 1.018 229 S CB -0.601 62.609 63.200 0.017 0.000 0.876 229 S HN 0.563 nan 8.310 nan 0.000 0.448 230 W N 2.261 123.430 121.300 -0.218 0.000 2.355 230 W HA -0.059 4.638 4.660 0.062 0.000 0.309 230 W C 2.280 178.664 176.519 -0.225 0.000 1.206 230 W CA 1.398 58.657 57.345 -0.144 0.000 1.284 230 W CB -1.019 28.431 29.460 -0.016 0.000 1.145 230 W HN 0.258 nan 8.180 nan 0.000 0.502 231 G N 0.628 109.192 108.800 -0.393 0.000 2.459 231 G HA2 -0.318 3.680 3.960 0.063 0.000 0.217 231 G HA3 -0.318 3.680 3.960 0.063 0.000 0.217 231 G C 1.480 176.077 174.900 -0.505 0.000 1.183 231 G CA 1.390 45.879 45.100 -1.018 0.000 0.776 231 G HN 0.304 nan 8.290 nan 0.000 0.552 232 K N 0.570 120.804 120.400 -0.278 0.000 2.057 232 K HA 0.072 4.430 4.320 0.063 0.000 0.207 232 K C 2.961 179.499 176.600 -0.104 0.000 1.049 232 K CA 0.953 57.220 56.287 -0.033 0.000 0.931 232 K CB -0.280 32.243 32.500 0.038 0.000 0.714 232 K HN 0.257 nan 8.250 nan 0.000 0.440 233 A N 1.944 124.653 122.820 -0.185 0.000 1.917 233 A HA -0.221 4.137 4.320 0.063 0.000 0.219 233 A C 1.750 179.152 177.584 -0.303 0.000 1.182 233 A CA 1.853 53.767 52.037 -0.204 0.000 0.633 233 A CB -0.433 18.447 19.000 -0.199 0.000 0.819 233 A HN 0.291 nan 8.150 nan 0.000 0.448 234 N N -2.622 115.777 118.700 -0.501 0.000 2.392 234 N HA 0.050 4.828 4.740 0.063 0.000 0.177 234 N C -0.015 175.011 175.510 -0.807 0.000 1.066 234 N CA 0.784 53.419 53.050 -0.692 0.000 0.895 234 N CB 0.229 38.097 38.487 -1.032 0.000 0.988 234 N HN 0.638 nan 8.380 nan 0.000 0.457 235 Y N -0.574 119.611 120.300 -0.191 0.000 2.717 235 Y HA 0.304 4.892 4.550 0.063 0.000 0.250 235 Y C 1.178 177.135 175.900 0.094 0.000 1.149 235 Y CA -0.535 57.547 58.100 -0.031 0.000 1.211 235 Y CB 0.189 38.593 38.460 -0.093 0.000 1.289 235 Y HN -0.154 nan 8.280 nan 0.000 0.552 236 N N 0.924 119.694 118.700 0.116 0.000 2.223 236 N HA -0.130 4.648 4.740 0.063 0.000 0.185 236 N C 1.023 176.603 175.510 0.117 0.000 1.016 236 N CA 1.832 54.951 53.050 0.115 0.000 0.863 236 N CB -0.071 38.446 38.487 0.050 0.000 0.983 236 N HN 0.522 nan 8.380 nan 0.000 0.429 237 D N -2.061 118.394 120.400 0.092 0.000 2.363 237 D HA -0.046 4.632 4.640 0.063 0.000 0.214 237 D C 1.596 177.972 176.300 0.126 0.000 1.093 237 D CA -0.403 53.641 54.000 0.073 0.000 0.837 237 D CB -0.853 39.958 40.800 0.017 0.000 0.948 237 D HN 0.218 nan 8.370 nan 0.000 0.507 238 W N 2.107 123.419 121.300 0.019 0.000 2.335 238 W HA -0.153 4.545 4.660 0.063 0.000 0.311 238 W C 1.995 178.535 176.519 0.034 0.000 1.213 238 W CA 2.077 59.458 57.345 0.059 0.000 1.274 238 W CB -0.387 29.196 29.460 0.206 0.000 1.148 238 W HN -0.079 nan 8.180 nan 0.000 0.498 239 S N 0.850 116.514 115.700 -0.059 0.000 2.374 239 S HA -0.270 4.237 4.470 0.063 0.000 0.227 239 S C 1.515 175.981 174.600 -0.223 0.000 1.037 239 S CA 1.681 59.727 58.200 -0.257 0.000 1.024 239 S CB -0.710 62.442 63.200 -0.081 0.000 0.861 239 S HN 0.375 nan 8.310 nan 0.000 0.456 240 N N 0.952 119.585 118.700 -0.112 0.000 2.453 240 N HA 0.004 4.782 4.740 0.063 0.000 0.183 240 N C 1.128 176.576 175.510 -0.104 0.000 1.041 240 N CA 0.676 53.673 53.050 -0.088 0.000 0.900 240 N CB -0.039 38.423 38.487 -0.041 0.000 0.961 240 N HN 0.496 nan 8.380 nan 0.000 0.443 241 K N 0.140 120.456 120.400 -0.140 0.000 2.426 241 K HA 0.187 4.544 4.320 0.063 0.000 0.193 241 K C 0.331 176.827 176.600 -0.174 0.000 1.028 241 K CA 0.115 56.329 56.287 -0.121 0.000 1.047 241 K CB 0.480 32.941 32.500 -0.066 0.000 0.821 241 K HN 0.074 nan 8.250 nan 0.000 0.513 242 L N 1.635 122.700 121.223 -0.264 0.000 2.357 242 L HA 0.188 4.566 4.340 0.063 0.000 0.273 242 L C 0.924 177.694 176.870 -0.167 0.000 1.080 242 L CA -0.852 53.829 54.840 -0.264 0.000 0.803 242 L CB 1.027 42.836 42.059 -0.416 0.000 1.174 242 L HN 0.086 nan 8.230 nan 0.000 0.443 243 T N -1.376 113.102 114.554 -0.126 0.000 2.748 243 T HA 0.137 4.525 4.350 0.063 0.000 0.304 243 T C -1.818 172.827 174.700 -0.092 0.000 1.041 243 T CA -1.245 60.803 62.100 -0.088 0.000 1.033 243 T CB 0.698 69.529 68.868 -0.062 0.000 0.995 243 T HN 0.371 nan 8.240 nan 0.000 0.536 244 P HA -0.094 nan 4.420 nan 0.000 0.215 244 P C 1.409 178.673 177.300 -0.060 0.000 1.157 244 P CA 1.025 64.089 63.100 -0.061 0.000 0.874 244 P CB -0.064 31.611 31.700 -0.043 0.000 0.790 245 N N -0.468 118.201 118.700 -0.051 0.000 2.106 245 N HA -0.134 4.643 4.740 0.063 0.000 0.188 245 N C 1.664 177.140 175.510 -0.057 0.000 1.029 245 N CA 1.207 54.231 53.050 -0.044 0.000 0.848 245 N CB -0.681 37.788 38.487 -0.030 0.000 1.007 245 N HN 0.326 nan 8.380 nan 0.000 0.423 246 E N 0.339 120.493 120.200 -0.077 0.000 2.058 246 E HA -0.157 4.231 4.350 0.063 0.000 0.194 246 E C 1.839 178.352 176.600 -0.146 0.000 0.997 246 E CA 0.661 56.998 56.400 -0.105 0.000 0.801 246 E CB -0.158 29.465 29.700 -0.128 0.000 0.746 246 E HN 0.097 nan 8.360 nan 0.000 0.450 247 L N 0.912 122.036 121.223 -0.165 0.000 2.046 247 L HA -0.133 4.244 4.340 0.063 0.000 0.208 247 L C 2.174 178.982 176.870 -0.104 0.000 1.077 247 L CA 1.987 56.722 54.840 -0.176 0.000 0.747 247 L CB -0.676 41.285 42.059 -0.164 0.000 0.896 247 L HN 0.062 nan 8.230 nan 0.000 0.432 248 A N -1.069 121.708 122.820 -0.072 0.000 1.933 248 A HA -0.194 4.163 4.320 0.063 0.000 0.218 248 A C 1.987 179.557 177.584 -0.024 0.000 1.175 248 A CA 1.849 53.862 52.037 -0.040 0.000 0.628 248 A CB -0.678 18.302 19.000 -0.032 0.000 0.814 248 A HN 0.505 nan 8.150 nan 0.000 0.444 249 D N -0.524 119.856 120.400 -0.032 0.000 2.149 249 D HA -0.045 4.633 4.640 0.063 0.000 0.201 249 D C 2.073 178.372 176.300 -0.001 0.000 0.972 249 D CA 1.072 55.066 54.000 -0.011 0.000 0.835 249 D CB -0.311 40.477 40.800 -0.019 0.000 0.966 249 D HN 0.191 nan 8.370 nan 0.000 0.476 250 V N 1.651 121.536 119.914 -0.048 0.000 2.295 250 V HA -0.239 3.918 4.120 0.063 0.000 0.246 250 V C 2.090 178.202 176.094 0.030 0.000 1.049 250 V CA 1.431 63.708 62.300 -0.039 0.000 1.024 250 V CB -0.439 31.333 31.823 -0.085 0.000 0.648 250 V HN 0.141 nan 8.190 nan 0.000 0.447 251 N N 0.484 119.186 118.700 0.002 0.000 2.043 251 N HA -0.181 4.596 4.740 0.063 0.000 0.193 251 N C 1.566 177.114 175.510 0.064 0.000 1.037 251 N CA 1.859 54.923 53.050 0.023 0.000 0.851 251 N CB -0.656 37.834 38.487 0.005 0.000 1.027 251 N HN 0.458 nan 8.380 nan 0.000 0.422 252 D N -0.184 120.251 120.400 0.059 0.000 2.116 252 D HA -0.191 4.487 4.640 0.063 0.000 0.193 252 D C 1.874 178.240 176.300 0.110 0.000 0.998 252 D CA 0.887 54.927 54.000 0.067 0.000 0.836 252 D CB -0.632 40.196 40.800 0.047 0.000 0.951 252 D HN 0.368 nan 8.370 nan 0.000 0.449 253 Y N 0.775 121.083 120.300 0.014 0.000 2.081 253 Y HA -0.250 4.337 4.550 0.061 0.000 0.280 253 Y C 2.447 178.433 175.900 0.143 0.000 1.163 253 Y CA 1.802 59.934 58.100 0.053 0.000 1.135 253 Y CB -0.248 38.179 38.460 -0.056 0.000 0.970 253 Y HN -0.100 nan 8.280 nan 0.000 0.498 254 M N -0.494 119.255 119.600 0.248 0.000 2.296 254 M HA -0.155 4.363 4.480 0.063 0.000 0.265 254 M C 1.857 178.303 176.300 0.244 0.000 1.064 254 M CA 1.500 56.900 55.300 0.167 0.000 1.109 254 M CB -0.110 32.436 32.600 -0.091 0.000 1.396 254 M HN 0.111 nan 8.290 nan 0.000 0.430 255 R N -0.312 120.294 120.500 0.177 0.000 2.313 255 R HA 0.078 4.456 4.340 0.063 0.000 0.199 255 R C 1.159 177.535 176.300 0.126 0.000 0.958 255 R CA 0.702 56.893 56.100 0.152 0.000 1.047 255 R CB 0.189 30.547 30.300 0.096 0.000 0.955 255 R HN 0.574 nan 8.270 nan 0.000 0.481 256 G N -1.481 107.407 108.800 0.147 0.000 2.485 256 G HA2 -0.180 3.817 3.960 0.063 0.000 0.181 256 G HA3 -0.180 3.817 3.960 0.063 0.000 0.181 256 G C 0.877 175.647 174.900 -0.216 0.000 0.999 256 G CA -0.255 44.843 45.100 -0.004 0.000 0.721 256 G HN 0.368 nan 8.290 nan 0.000 0.486 257 G N 0.821 109.561 108.800 -0.100 0.000 2.559 257 G HA2 0.099 4.097 3.960 0.063 0.000 0.216 257 G HA3 0.099 4.097 3.960 0.063 0.000 0.216 257 G C 1.443 176.225 174.900 -0.198 0.000 1.126 257 G CA 1.707 46.736 45.100 -0.118 0.000 0.778 257 G HN 1.013 nan 8.290 nan 0.000 0.543 258 Y N 0.446 120.478 120.300 -0.447 0.000 2.207 258 Y HA -0.118 4.468 4.550 0.061 0.000 0.287 258 Y C 2.571 178.361 175.900 -0.183 0.000 1.156 258 Y CA 1.438 59.129 58.100 -0.682 0.000 1.182 258 Y CB -1.125 36.597 38.460 -1.230 0.000 0.979 258 Y HN 0.039 nan 8.280 nan 0.000 0.521 259 T N 1.133 115.272 114.554 -0.691 0.000 2.622 259 T HA -0.238 4.150 4.350 0.063 0.000 0.266 259 T C 2.278 176.912 174.700 -0.110 0.000 1.047 259 T CA 2.069 63.939 62.100 -0.385 0.000 1.159 259 T CB -0.811 67.775 68.868 -0.469 0.000 0.863 259 T HN 0.601 nan 8.240 nan 0.000 0.422 260 A N 0.704 123.460 122.820 -0.106 0.000 1.933 260 A HA 0.000 4.358 4.320 0.063 0.000 0.218 260 A C 2.318 179.949 177.584 0.078 0.000 1.175 260 A CA 1.191 53.217 52.037 -0.017 0.000 0.628 260 A CB -0.769 18.203 19.000 -0.048 0.000 0.814 260 A HN 0.525 nan 8.150 nan 0.000 0.444 261 I N -0.054 120.583 120.570 0.111 0.000 2.202 261 I HA -0.241 3.967 4.170 0.063 0.000 0.242 261 I C 2.084 178.404 176.117 0.338 0.000 1.091 261 I CA 1.245 62.697 61.300 0.254 0.000 1.368 261 I CB -0.358 37.850 38.000 0.348 0.000 1.058 261 I HN 0.291 nan 8.210 nan 0.000 0.410 262 N N 0.821 119.708 118.700 0.311 0.000 2.216 262 N HA -0.118 4.659 4.740 0.063 0.000 0.183 262 N C 1.558 177.192 175.510 0.206 0.000 1.017 262 N CA 0.958 54.191 53.050 0.304 0.000 0.861 262 N CB -0.539 38.156 38.487 0.346 0.000 0.986 262 N HN 0.303 nan 8.380 nan 0.000 0.428 263 N N 0.496 119.296 118.700 0.166 0.000 2.166 263 N HA -0.164 4.614 4.740 0.063 0.000 0.186 263 N C 1.636 177.236 175.510 0.151 0.000 1.019 263 N CA 0.594 53.721 53.050 0.128 0.000 0.856 263 N CB -0.573 37.969 38.487 0.092 0.000 0.993 263 N HN 0.359 nan 8.380 nan 0.000 0.426 264 Y N 1.440 121.772 120.300 0.053 0.000 2.181 264 Y HA -0.070 4.520 4.550 0.067 0.000 0.288 264 Y C 2.102 178.028 175.900 0.043 0.000 1.146 264 Y CA 1.328 59.454 58.100 0.043 0.000 1.164 264 Y CB -0.465 38.022 38.460 0.045 0.000 0.982 264 Y HN -0.022 nan 8.280 nan 0.000 0.515 265 L N -0.537 120.697 121.223 0.019 0.000 2.027 265 L HA -0.207 4.171 4.340 0.063 0.000 0.206 265 L C 2.442 179.275 176.870 -0.063 0.000 1.074 265 L CA 1.470 56.258 54.840 -0.087 0.000 0.745 265 L CB -0.531 41.544 42.059 0.026 0.000 0.898 265 L HN 0.231 nan 8.230 nan 0.000 0.433 266 I N -0.310 120.267 120.570 0.011 0.000 2.226 266 I HA -0.269 3.938 4.170 0.063 0.000 0.245 266 I C 2.358 178.462 176.117 -0.022 0.000 1.100 266 I CA 1.624 62.929 61.300 0.008 0.000 1.374 266 I CB -0.291 37.735 38.000 0.044 0.000 1.057 266 I HN 0.304 nan 8.210 nan 0.000 0.413 267 S N 0.298 115.984 115.700 -0.025 0.000 2.701 267 S HA -0.001 4.506 4.470 0.063 0.000 0.220 267 S C 0.919 175.472 174.600 -0.078 0.000 0.954 267 S CA 0.104 58.285 58.200 -0.031 0.000 0.936 267 S CB -0.606 62.595 63.200 0.003 0.000 0.777 267 S HN 0.551 nan 8.310 nan 0.000 0.518 268 N N 1.092 119.715 118.700 -0.129 0.000 2.714 268 N HA -0.155 4.623 4.740 0.063 0.000 0.252 268 N C 0.788 176.157 175.510 -0.235 0.000 1.014 268 N CA 0.758 53.704 53.050 -0.173 0.000 0.735 268 N CB -1.545 36.882 38.487 -0.099 0.000 0.924 268 N HN 0.561 nan 8.380 nan 0.000 0.540 269 G N -0.169 108.385 108.800 -0.410 0.000 2.469 269 G HA2 -0.210 3.787 3.960 0.063 0.000 0.220 269 G HA3 -0.210 3.787 3.960 0.063 0.000 0.220 269 G C -0.704 173.980 174.900 -0.359 0.000 1.136 269 G CA 0.964 45.813 45.100 -0.417 0.000 0.759 269 G HN 0.475 nan 8.290 nan 0.000 0.562 270 P HA -0.054 nan 4.420 nan 0.000 0.218 270 P C 1.839 179.111 177.300 -0.046 0.000 1.146 270 P CA 0.867 63.877 63.100 -0.150 0.000 0.813 270 P CB 0.051 31.659 31.700 -0.153 0.000 0.778 271 V N 0.260 120.126 119.914 -0.079 0.000 2.391 271 V HA -0.117 4.040 4.120 0.063 0.000 0.237 271 V C 2.081 178.166 176.094 -0.014 0.000 1.046 271 V CA 2.133 64.413 62.300 -0.034 0.000 1.053 271 V CB -1.381 30.417 31.823 -0.041 0.000 0.704 271 V HN 0.196 nan 8.190 nan 0.000 0.475 272 N N -0.039 118.646 118.700 -0.025 0.000 2.446 272 N HA -0.030 4.747 4.740 0.063 0.000 0.179 272 N C 0.537 176.062 175.510 0.025 0.000 1.054 272 N CA 0.885 53.934 53.050 -0.002 0.000 0.905 272 N CB -0.115 38.366 38.487 -0.010 0.000 0.973 272 N HN 0.473 nan 8.380 nan 0.000 0.448 273 N N -0.303 118.428 118.700 0.052 0.000 2.700 273 N HA 0.316 5.094 4.740 0.063 0.000 0.242 273 N C -3.079 172.545 175.510 0.190 0.000 1.541 273 N CA -1.442 51.668 53.050 0.100 0.000 0.764 273 N CB 0.821 39.369 38.487 0.102 0.000 1.319 273 N HN -0.051 nan 8.380 nan 0.000 0.518 274 P HA 0.125 nan 4.420 nan 0.000 0.264 274 P C -0.768 176.634 177.300 0.170 0.000 1.193 274 P CA 0.158 63.384 63.100 0.210 0.000 0.763 274 P CB 0.407 32.176 31.700 0.116 0.000 0.810 275 N N 4.715 123.514 118.700 0.165 0.000 2.682 275 N HA 0.185 4.963 4.740 0.063 0.000 0.252 275 N C -1.970 173.492 175.510 -0.079 0.000 1.081 275 N CA -2.410 50.589 53.050 -0.084 0.000 0.844 275 N CB 1.178 39.429 38.487 -0.393 0.000 1.167 275 N HN 0.101 nan 8.380 nan 0.000 0.523 276 P HA -0.110 nan 4.420 nan 0.000 0.222 276 P C 0.993 178.279 177.300 -0.024 0.000 1.147 276 P CA 0.833 63.936 63.100 0.005 0.000 0.790 276 P CB 0.707 32.415 31.700 0.014 0.000 0.780 277 E N -0.219 119.946 120.200 -0.057 0.000 2.051 277 E HA -0.164 4.224 4.350 0.063 0.000 0.192 277 E C 1.827 178.381 176.600 -0.076 0.000 0.991 277 E CA 0.935 57.300 56.400 -0.059 0.000 0.799 277 E CB -0.297 29.364 29.700 -0.066 0.000 0.748 277 E HN 0.002 nan 8.360 nan 0.000 0.449 278 L N 1.849 122.974 121.223 -0.164 0.000 2.056 278 L HA -0.166 4.211 4.340 0.063 0.000 0.207 278 L C 1.963 178.807 176.870 -0.044 0.000 1.078 278 L CA 1.661 56.386 54.840 -0.192 0.000 0.749 278 L CB -0.811 40.907 42.059 -0.569 0.000 0.901 278 L HN 0.124 nan 8.230 nan 0.000 0.433 279 D N -1.061 119.340 120.400 0.001 0.000 2.133 279 D HA -0.163 4.514 4.640 0.063 0.000 0.195 279 D C 2.312 178.651 176.300 0.065 0.000 0.997 279 D CA 1.464 55.525 54.000 0.102 0.000 0.840 279 D CB -0.020 40.847 40.800 0.113 0.000 0.947 279 D HN 0.211 nan 8.370 nan 0.000 0.452 280 S N 0.156 115.876 115.700 0.034 0.000 2.368 280 S HA -0.101 4.406 4.470 0.063 0.000 0.224 280 S C 1.800 176.422 174.600 0.036 0.000 1.029 280 S CA 0.833 59.051 58.200 0.030 0.000 0.988 280 S CB 0.063 63.271 63.200 0.013 0.000 0.838 280 S HN 0.289 nan 8.310 nan 0.000 0.462 281 K N 0.818 121.237 120.400 0.032 0.000 2.057 281 K HA -0.039 4.318 4.320 0.063 0.000 0.207 281 K C 1.976 178.618 176.600 0.069 0.000 1.049 281 K CA 1.268 57.578 56.287 0.039 0.000 0.931 281 K CB -0.398 32.128 32.500 0.043 0.000 0.714 281 K HN 0.322 nan 8.250 nan 0.000 0.440 282 I N 1.000 121.642 120.570 0.120 0.000 2.163 282 I HA -0.291 3.916 4.170 0.063 0.000 0.243 282 I C 2.282 178.514 176.117 0.192 0.000 1.085 282 I CA 1.378 62.801 61.300 0.206 0.000 1.347 282 I CB -0.478 37.583 38.000 0.100 0.000 1.044 282 I HN 0.188 nan 8.210 nan 0.000 0.408 283 T N 0.618 115.243 114.554 0.119 0.000 2.684 283 T HA -0.164 4.224 4.350 0.063 0.000 0.267 283 T C 1.751 176.517 174.700 0.111 0.000 1.036 283 T CA 1.536 63.710 62.100 0.123 0.000 1.148 283 T CB -0.329 68.590 68.868 0.084 0.000 0.863 283 T HN 0.284 nan 8.240 nan 0.000 0.436 284 N N 1.011 119.751 118.700 0.066 0.000 2.120 284 N HA 0.024 4.802 4.740 0.063 0.000 0.188 284 N C 1.886 177.408 175.510 0.020 0.000 1.024 284 N CA 0.946 54.013 53.050 0.029 0.000 0.852 284 N CB -0.419 38.066 38.487 -0.003 0.000 1.003 284 N HN 0.397 nan 8.380 nan 0.000 0.424 285 I N 1.170 121.740 120.570 -0.001 0.000 2.252 285 I HA -0.220 3.988 4.170 0.063 0.000 0.245 285 I C 2.435 178.597 176.117 0.074 0.000 1.102 285 I CA 0.990 62.226 61.300 -0.106 0.000 1.385 285 I CB -0.237 37.458 38.000 -0.508 0.000 1.064 285 I HN 0.211 nan 8.210 nan 0.000 0.414 286 E N 1.314 121.683 120.200 0.282 0.000 2.058 286 E HA -0.267 4.120 4.350 0.063 0.000 0.194 286 E C 1.930 178.654 176.600 0.207 0.000 0.997 286 E CA 1.608 58.222 56.400 0.356 0.000 0.801 286 E CB 0.030 29.977 29.700 0.412 0.000 0.746 286 E HN 0.414 nan 8.360 nan 0.000 0.450 287 N N 0.464 119.253 118.700 0.149 0.000 2.166 287 N HA -0.142 4.636 4.740 0.063 0.000 0.186 287 N C 1.645 177.226 175.510 0.117 0.000 1.019 287 N CA 1.305 54.419 53.050 0.108 0.000 0.856 287 N CB -0.493 38.035 38.487 0.067 0.000 0.993 287 N HN 0.298 nan 8.380 nan 0.000 0.426 288 A N 1.100 123.986 122.820 0.111 0.000 1.902 288 A HA -0.056 4.302 4.320 0.063 0.000 0.217 288 A C 2.309 180.163 177.584 0.449 0.000 1.181 288 A CA 0.961 53.092 52.037 0.157 0.000 0.623 288 A CB -0.703 18.325 19.000 0.047 0.000 0.818 288 A HN 0.233 nan 8.150 nan 0.000 0.443 289 L N -1.203 120.223 121.223 0.338 0.000 2.291 289 L HA -0.091 4.287 4.340 0.063 0.000 0.214 289 L C 2.202 179.202 176.870 0.217 0.000 1.120 289 L CA 1.146 56.144 54.840 0.263 0.000 0.799 289 L CB -0.230 41.928 42.059 0.165 0.000 0.925 289 L HN 0.322 nan 8.230 nan 0.000 0.446 290 K N -0.631 119.887 120.400 0.197 0.000 2.400 290 K HA -0.059 4.298 4.320 0.063 0.000 0.194 290 K C 1.989 178.689 176.600 0.167 0.000 1.033 290 K CA -0.008 56.368 56.287 0.149 0.000 1.021 290 K CB 0.185 32.749 32.500 0.108 0.000 0.808 290 K HN -0.013 nan 8.250 nan 0.000 0.505 291 R N 1.891 122.531 120.500 0.233 0.000 2.073 291 R HA -0.082 4.296 4.340 0.063 0.000 0.234 291 R C 0.114 176.549 176.300 0.224 0.000 1.134 291 R CA 1.513 57.740 56.100 0.211 0.000 0.952 291 R CB 0.075 30.496 30.300 0.201 0.000 0.850 291 R HN -0.107 nan 8.270 nan 0.000 0.433 292 E N 0.172 120.571 120.200 0.331 0.000 2.593 292 E HA 0.333 4.720 4.350 0.063 0.000 0.232 292 E C -2.592 174.141 176.600 0.221 0.000 1.026 292 E CA -2.954 53.582 56.400 0.226 0.000 0.772 292 E CB 1.119 30.944 29.700 0.209 0.000 1.310 292 E HN 0.033 nan 8.360 nan 0.000 0.413 293 P HA 0.029 nan 4.420 nan 0.000 0.267 293 P C -0.026 177.385 177.300 0.184 0.000 1.200 293 P CA -0.288 62.901 63.100 0.148 0.000 0.772 293 P CB 0.428 32.187 31.700 0.098 0.000 0.855 294 I N 4.978 125.674 120.570 0.211 0.000 2.943 294 I HA -0.101 4.107 4.170 0.063 0.000 0.296 294 I C -1.148 175.102 176.117 0.222 0.000 1.220 294 I CA -0.587 60.879 61.300 0.278 0.000 1.409 294 I CB -0.322 37.813 38.000 0.225 0.000 1.374 294 I HN 0.341 nan 8.210 nan 0.000 0.545 295 P HA 0.027 nan 4.420 nan 0.000 0.249 295 P C 0.392 177.800 177.300 0.179 0.000 1.229 295 P CA 0.514 63.713 63.100 0.165 0.000 0.788 295 P CB 0.645 32.409 31.700 0.106 0.000 1.072 296 T N -0.714 113.966 114.554 0.209 0.000 2.786 296 T HA 0.238 4.626 4.350 0.063 0.000 0.316 296 T C -1.297 173.447 174.700 0.073 0.000 1.503 296 T CA -0.673 61.503 62.100 0.128 0.000 1.019 296 T CB 0.414 69.365 68.868 0.137 0.000 1.415 296 T HN -0.315 nan 8.240 nan 0.000 0.496 297 N N 2.056 120.763 118.700 0.013 0.000 2.411 297 N HA 0.336 5.113 4.740 0.063 0.000 0.265 297 N C -0.711 174.751 175.510 -0.081 0.000 1.266 297 N CA 0.112 53.148 53.050 -0.024 0.000 0.889 297 N CB 0.189 38.654 38.487 -0.038 0.000 1.069 297 N HN 0.514 nan 8.380 nan 0.000 0.476 298 L N 2.002 123.179 121.223 -0.076 0.000 2.408 298 L HA 0.473 4.851 4.340 0.063 0.000 0.268 298 L C -0.472 176.319 176.870 -0.132 0.000 0.986 298 L CA -0.398 54.354 54.840 -0.147 0.000 0.820 298 L CB 2.019 44.012 42.059 -0.110 0.000 1.303 298 L HN 0.360 nan 8.230 nan 0.000 0.411 299 T N 4.515 118.960 114.554 -0.181 0.000 2.767 299 T HA 0.649 5.037 4.350 0.063 0.000 0.288 299 T C -0.318 174.258 174.700 -0.206 0.000 0.963 299 T CA -0.297 61.670 62.100 -0.222 0.000 1.019 299 T CB 1.058 69.779 68.868 -0.244 0.000 0.923 299 T HN 0.588 nan 8.240 nan 0.000 0.468 300 V N 1.137 120.874 119.914 -0.295 0.000 3.074 300 V HA 0.795 4.952 4.120 0.063 0.000 0.314 300 V C -1.760 174.052 176.094 -0.469 0.000 1.117 300 V CA -1.292 60.890 62.300 -0.196 0.000 1.014 300 V CB 1.561 33.355 31.823 -0.048 0.000 1.057 300 V HN 0.783 nan 8.190 nan 0.000 0.438 301 Y N 0.643 120.916 120.300 -0.045 0.000 2.425 301 Y HA 0.802 5.392 4.550 0.066 0.000 0.344 301 Y C 0.105 175.946 175.900 -0.099 0.000 0.969 301 Y CA -0.608 57.455 58.100 -0.062 0.000 1.052 301 Y CB 2.220 40.655 38.460 -0.041 0.000 1.215 301 Y HN 0.809 nan 8.280 nan 0.000 0.451 302 R N 2.887 123.380 120.500 -0.011 0.000 2.561 302 R HA 0.523 4.901 4.340 0.063 0.000 0.297 302 R C -1.165 175.062 176.300 -0.122 0.000 0.969 302 R CA -0.964 55.066 56.100 -0.116 0.000 0.879 302 R CB 0.980 31.169 30.300 -0.185 0.000 1.178 302 R HN 0.608 nan 8.270 nan 0.000 0.445 303 R N 2.525 122.861 120.500 -0.273 0.000 2.220 303 R HA 0.232 4.609 4.340 0.063 0.000 0.340 303 R C -0.729 175.456 176.300 -0.192 0.000 1.076 303 R CA -0.301 55.652 56.100 -0.246 0.000 0.920 303 R CB 1.226 31.308 30.300 -0.364 0.000 1.062 303 R HN 0.496 nan 8.270 nan 0.000 0.469 304 S N 0.945 116.638 115.700 -0.010 0.000 2.508 304 S HA 0.472 4.980 4.470 0.063 0.000 0.284 304 S C 0.615 175.312 174.600 0.161 0.000 1.192 304 S CA -0.637 57.631 58.200 0.114 0.000 1.070 304 S CB 1.817 65.207 63.200 0.316 0.000 1.004 304 S HN 0.701 nan 8.310 nan 0.000 0.493 305 G N 2.596 111.490 108.800 0.156 0.000 2.572 305 G HA2 0.337 4.335 3.960 0.063 0.000 0.261 305 G HA3 0.337 4.335 3.960 0.063 0.000 0.261 305 G C -1.459 173.519 174.900 0.130 0.000 1.197 305 G CA -1.345 43.838 45.100 0.137 0.000 0.870 305 G HN 0.439 nan 8.290 nan 0.000 0.548 306 P HA -0.170 nan 4.420 nan 0.000 0.216 306 P C 1.396 178.718 177.300 0.036 0.000 1.150 306 P CA 1.284 64.264 63.100 -0.199 0.000 0.837 306 P CB 0.195 31.418 31.700 -0.795 0.000 0.786 307 Q N 0.010 119.815 119.800 0.009 0.000 2.226 307 Q HA -0.165 4.213 4.340 0.063 0.000 0.204 307 Q C 2.035 178.042 176.000 0.012 0.000 0.975 307 Q CA 1.132 56.949 55.803 0.024 0.000 0.866 307 Q CB -0.422 28.323 28.738 0.012 0.000 0.915 307 Q HN 0.495 nan 8.270 nan 0.000 0.440 308 E N -0.383 119.825 120.200 0.013 0.000 2.338 308 E HA -0.120 4.268 4.350 0.063 0.000 0.197 308 E C 0.285 176.570 176.600 -0.525 0.000 1.007 308 E CA 0.638 56.899 56.400 -0.231 0.000 0.849 308 E CB 0.157 29.788 29.700 -0.115 0.000 0.774 308 E HN 0.309 nan 8.360 nan 0.000 0.506 309 F N -0.712 119.194 119.950 -0.073 0.000 2.764 309 F HA 0.316 4.887 4.527 0.074 0.000 0.310 309 F C 1.157 177.118 175.800 0.268 0.000 1.124 309 F CA -0.059 57.909 58.000 -0.053 0.000 1.252 309 F CB 1.379 40.352 39.000 -0.044 0.000 1.010 309 F HN -0.029 nan 8.300 nan 0.000 0.518 310 G N 0.992 109.948 108.800 0.260 0.000 2.153 310 G HA2 -0.288 3.710 3.960 0.063 0.000 0.252 310 G HA3 -0.288 3.710 3.960 0.063 0.000 0.252 310 G C -0.073 174.940 174.900 0.187 0.000 0.994 310 G CA 0.209 45.440 45.100 0.217 0.000 0.698 310 G HN 0.335 nan 8.290 nan 0.000 0.521 311 L N -0.282 121.044 121.223 0.172 0.000 2.271 311 L HA 0.897 5.275 4.340 0.063 0.000 0.265 311 L C 0.917 177.759 176.870 -0.047 0.000 1.013 311 L CA -0.477 54.413 54.840 0.083 0.000 0.820 311 L CB 2.083 44.215 42.059 0.121 0.000 1.352 311 L HN 0.347 nan 8.230 nan 0.000 0.443 312 T N -3.150 111.341 114.554 -0.105 0.000 2.888 312 T HA 0.447 4.835 4.350 0.063 0.000 0.288 312 T C 0.829 175.373 174.700 -0.260 0.000 1.063 312 T CA -0.830 61.182 62.100 -0.146 0.000 1.010 312 T CB 1.067 69.901 68.868 -0.056 0.000 1.214 312 T HN 0.415 nan 8.240 nan 0.000 0.533 313 L N 0.725 121.832 121.223 -0.192 0.000 2.261 313 L HA -0.000 4.377 4.340 0.063 0.000 0.216 313 L C 2.484 179.362 176.870 0.014 0.000 1.114 313 L CA 1.658 56.429 54.840 -0.115 0.000 0.777 313 L CB -0.610 41.437 42.059 -0.020 0.000 0.910 313 L HN 1.006 nan 8.230 nan 0.000 0.440 314 T N -5.601 108.950 114.554 -0.005 0.000 3.134 314 T HA 0.175 4.563 4.350 0.063 0.000 0.260 314 T C 0.654 175.368 174.700 0.023 0.000 1.027 314 T CA -0.359 61.754 62.100 0.022 0.000 0.913 314 T CB 0.100 68.976 68.868 0.013 0.000 1.046 314 T HN -0.018 nan 8.240 nan 0.000 0.553 315 S N 4.047 119.759 115.700 0.021 0.000 2.516 315 S HA 0.208 4.715 4.470 0.063 0.000 0.282 315 S C -1.430 173.197 174.600 0.044 0.000 1.286 315 S CA -0.889 57.333 58.200 0.037 0.000 1.066 315 S CB 1.239 64.466 63.200 0.046 0.000 0.884 315 S HN 0.235 nan 8.310 nan 0.000 0.491 316 P HA -0.100 nan 4.420 nan 0.000 0.219 316 P C 0.762 178.057 177.300 -0.008 0.000 1.146 316 P CA 0.935 64.039 63.100 0.007 0.000 0.808 316 P CB 0.158 31.866 31.700 0.014 0.000 0.779 317 E N -2.223 117.995 120.200 0.029 0.000 2.274 317 E HA -0.165 4.222 4.350 0.063 0.000 0.194 317 E C 1.502 178.057 176.600 -0.075 0.000 0.996 317 E CA 0.617 57.047 56.400 0.050 0.000 0.840 317 E CB -0.912 28.875 29.700 0.145 0.000 0.772 317 E HN 0.330 nan 8.360 nan 0.000 0.491 318 Y N 1.263 121.376 120.300 -0.311 0.000 2.583 318 Y HA -0.015 4.571 4.550 0.060 0.000 0.293 318 Y C 0.208 175.522 175.900 -0.976 0.000 1.157 318 Y CA 0.262 57.954 58.100 -0.680 0.000 1.315 318 Y CB 0.123 38.385 38.460 -0.330 0.000 1.021 318 Y HN -0.153 nan 8.280 nan 0.000 0.536 319 D N 0.207 120.262 120.400 -0.576 0.000 2.470 319 D HA -0.013 4.665 4.640 0.063 0.000 0.226 319 D C 0.077 176.133 176.300 -0.406 0.000 1.196 319 D CA -0.032 53.691 54.000 -0.463 0.000 0.979 319 D CB -0.611 40.069 40.800 -0.200 0.000 1.059 319 D HN 0.088 nan 8.370 nan 0.000 0.515 320 F N 1.628 121.432 119.950 -0.243 0.000 2.802 320 F HA 0.073 4.636 4.527 0.060 0.000 0.300 320 F C 1.760 177.461 175.800 -0.165 0.000 1.168 320 F CA -0.140 57.730 58.000 -0.217 0.000 1.433 320 F CB -0.488 38.320 39.000 -0.321 0.000 1.115 320 F HN 0.275 nan 8.300 nan 0.000 0.582 321 N N 0.652 119.332 118.700 -0.033 0.000 2.381 321 N HA -0.116 4.661 4.740 0.063 0.000 0.182 321 N C 0.338 175.842 175.510 -0.011 0.000 1.025 321 N CA 0.822 53.852 53.050 -0.033 0.000 0.888 321 N CB -0.146 38.308 38.487 -0.055 0.000 0.965 321 N HN 0.231 nan 8.380 nan 0.000 0.438 322 K N 0.748 121.145 120.400 -0.005 0.000 2.248 322 K HA 0.160 4.518 4.320 0.063 0.000 0.281 322 K C 0.521 177.147 176.600 0.042 0.000 1.054 322 K CA -0.444 55.850 56.287 0.012 0.000 0.903 322 K CB 1.508 34.010 32.500 0.004 0.000 1.077 322 K HN -0.125 nan 8.250 nan 0.000 0.474 323 L N 3.223 124.467 121.223 0.035 0.000 2.079 323 L HA -0.236 4.141 4.340 0.063 0.000 0.210 323 L C 1.750 178.657 176.870 0.061 0.000 1.081 323 L CA 1.820 56.686 54.840 0.043 0.000 0.752 323 L CB -0.494 41.581 42.059 0.027 0.000 0.896 323 L HN 0.680 nan 8.230 nan 0.000 0.433 324 E N -0.717 119.517 120.200 0.056 0.000 2.130 324 E HA -0.241 4.146 4.350 0.063 0.000 0.196 324 E C 1.806 178.468 176.600 0.102 0.000 0.998 324 E CA 1.412 57.851 56.400 0.064 0.000 0.806 324 E CB -0.324 29.405 29.700 0.048 0.000 0.738 324 E HN 0.504 nan 8.360 nan 0.000 0.459 325 N N 0.522 119.297 118.700 0.125 0.000 2.270 325 N HA -0.036 4.741 4.740 0.063 0.000 0.181 325 N C 1.843 177.554 175.510 0.335 0.000 1.016 325 N CA 0.779 53.953 53.050 0.207 0.000 0.870 325 N CB 0.016 38.590 38.487 0.144 0.000 0.979 325 N HN 0.237 nan 8.380 nan 0.000 0.431 326 I N 1.228 121.947 120.570 0.248 0.000 2.202 326 I HA -0.206 4.001 4.170 0.063 0.000 0.242 326 I C 1.471 177.689 176.117 0.169 0.000 1.091 326 I CA 1.056 62.448 61.300 0.153 0.000 1.368 326 I CB -0.244 37.771 38.000 0.025 0.000 1.058 326 I HN -0.055 nan 8.210 nan 0.000 0.410 327 D N 1.397 121.873 120.400 0.127 0.000 2.149 327 D HA -0.165 4.513 4.640 0.063 0.000 0.198 327 D C 2.239 178.613 176.300 0.123 0.000 0.990 327 D CA 1.638 55.699 54.000 0.102 0.000 0.839 327 D CB -0.156 40.683 40.800 0.066 0.000 0.948 327 D HN 0.373 nan 8.370 nan 0.000 0.460 328 A N 0.289 123.204 122.820 0.158 0.000 1.898 328 A HA -0.131 4.227 4.320 0.063 0.000 0.216 328 A C 2.091 179.798 177.584 0.205 0.000 1.181 328 A CA 0.764 52.892 52.037 0.152 0.000 0.620 328 A CB -0.905 18.191 19.000 0.158 0.000 0.819 328 A HN 0.206 nan 8.150 nan 0.000 0.442 329 F N 0.688 120.743 119.950 0.176 0.000 2.102 329 F HA -0.126 4.451 4.527 0.082 0.000 0.298 329 F C 2.235 178.170 175.800 0.226 0.000 1.105 329 F CA 2.095 60.254 58.000 0.263 0.000 1.239 329 F CB -0.098 39.036 39.000 0.224 0.000 0.991 329 F HN 0.097 nan 8.300 nan 0.000 0.474 330 K N -0.563 120.020 120.400 0.306 0.000 2.063 330 K HA -0.205 4.153 4.320 0.063 0.000 0.208 330 K C 2.428 179.076 176.600 0.080 0.000 1.048 330 K CA 1.557 57.955 56.287 0.186 0.000 0.928 330 K CB -0.610 31.975 32.500 0.141 0.000 0.713 330 K HN 0.243 nan 8.250 nan 0.000 0.442 331 S N 1.110 116.836 115.700 0.044 0.000 2.368 331 S HA -0.194 4.314 4.470 0.063 0.000 0.225 331 S C 1.984 176.526 174.600 -0.098 0.000 1.030 331 S CA 1.554 59.744 58.200 -0.015 0.000 0.999 331 S CB -0.030 63.163 63.200 -0.012 0.000 0.844 331 S HN 0.240 nan 8.310 nan 0.000 0.459 332 K N -1.325 118.963 120.400 -0.187 0.000 2.062 332 K HA -0.053 4.304 4.320 0.063 0.000 0.205 332 K C 1.556 177.809 176.600 -0.578 0.000 1.051 332 K CA 1.519 57.525 56.287 -0.468 0.000 0.941 332 K CB -0.160 31.938 32.500 -0.669 0.000 0.719 332 K HN 0.565 nan 8.250 nan 0.000 0.440 333 W N 0.734 121.924 121.300 -0.183 0.000 2.866 333 W HA 0.227 4.868 4.660 -0.032 0.000 0.258 333 W C 0.109 176.608 176.519 -0.033 0.000 1.183 333 W CA -0.679 56.578 57.345 -0.148 0.000 1.451 333 W CB 0.455 29.720 29.460 -0.325 0.000 0.959 333 W HN -0.065 nan 8.180 nan 0.000 0.622 334 E N 0.552 120.867 120.200 0.193 0.000 2.417 334 E HA 0.246 4.633 4.350 0.063 0.000 0.261 334 E C 1.140 177.820 176.600 0.133 0.000 1.000 334 E CA 1.103 57.605 56.400 0.170 0.000 0.919 334 E CB 0.392 30.180 29.700 0.148 0.000 0.955 334 E HN 0.310 nan 8.360 nan 0.000 0.455 335 G N 3.136 112.019 108.800 0.139 0.000 2.184 335 G HA2 -0.246 3.751 3.960 0.063 0.000 0.264 335 G HA3 -0.246 3.751 3.960 0.063 0.000 0.264 335 G C 0.157 175.108 174.900 0.086 0.000 0.975 335 G CA 0.154 45.317 45.100 0.104 0.000 0.642 335 G HN 0.464 nan 8.290 nan 0.000 0.536 336 Q N -0.222 119.649 119.800 0.119 0.000 2.194 336 Q HA 0.791 5.169 4.340 0.063 0.000 0.245 336 Q C 0.309 176.409 176.000 0.168 0.000 0.993 336 Q CA 0.011 55.882 55.803 0.114 0.000 0.930 336 Q CB 1.536 30.324 28.738 0.084 0.000 1.238 336 Q HN 0.867 nan 8.270 nan 0.000 0.486 337 A N 0.929 123.837 122.820 0.147 0.000 2.312 337 A HA 0.635 4.992 4.320 0.063 0.000 0.326 337 A C -1.069 176.655 177.584 0.232 0.000 1.172 337 A CA -0.456 51.674 52.037 0.155 0.000 0.821 337 A CB 0.548 19.593 19.000 0.076 0.000 1.166 337 A HN 0.466 nan 8.150 nan 0.000 0.493 338 L N 2.516 123.878 121.223 0.231 0.000 2.376 338 L HA 0.697 5.074 4.340 0.063 0.000 0.275 338 L C -0.179 176.807 176.870 0.193 0.000 0.987 338 L CA 0.089 55.043 54.840 0.190 0.000 0.828 338 L CB 1.974 44.077 42.059 0.072 0.000 1.249 338 L HN 0.694 nan 8.230 nan 0.000 0.409 339 S N 3.162 118.901 115.700 0.066 0.000 2.500 339 S HA 0.654 5.162 4.470 0.063 0.000 0.301 339 S C -1.039 173.558 174.600 -0.005 0.000 1.092 339 S CA -0.571 57.668 58.200 0.065 0.000 1.030 339 S CB 1.027 64.224 63.200 -0.005 0.000 1.031 339 S HN 0.476 nan 8.310 nan 0.000 0.483 340 Y N 2.642 122.951 120.300 0.016 0.000 2.342 340 Y HA 0.381 4.968 4.550 0.062 0.000 0.338 340 Y C -1.594 174.295 175.900 -0.018 0.000 0.965 340 Y CA -2.057 56.055 58.100 0.020 0.000 1.159 340 Y CB 2.056 40.573 38.460 0.096 0.000 1.157 340 Y HN 0.534 nan 8.280 nan 0.000 0.486 341 P HA -0.125 nan 4.420 nan 0.000 0.219 341 P C -0.332 177.007 177.300 0.065 0.000 1.150 341 P CA 1.018 64.145 63.100 0.044 0.000 0.814 341 P CB 0.218 31.922 31.700 0.007 0.000 0.787 342 N N 0.405 119.184 118.700 0.132 0.000 2.445 342 N HA 0.020 4.797 4.740 0.063 0.000 0.264 342 N C -0.181 175.405 175.510 0.126 0.000 1.227 342 N CA -0.539 52.608 53.050 0.162 0.000 0.963 342 N CB 0.003 38.648 38.487 0.264 0.000 1.188 342 N HN -0.131 nan 8.380 nan 0.000 0.491 343 F N -0.254 119.857 119.950 0.268 0.000 2.563 343 F HA 0.198 4.768 4.527 0.072 0.000 0.363 343 F C 0.551 176.449 175.800 0.163 0.000 1.123 343 F CA -0.165 57.955 58.000 0.201 0.000 1.307 343 F CB 0.194 39.287 39.000 0.155 0.000 1.115 343 F HN 0.273 nan 8.300 nan 0.000 0.592 344 I N 2.099 122.812 120.570 0.238 0.000 2.382 344 I HA 0.219 4.427 4.170 0.063 0.000 0.286 344 I C -0.206 175.932 176.117 0.036 0.000 1.002 344 I CA -0.061 61.263 61.300 0.041 0.000 1.135 344 I CB 1.416 39.327 38.000 -0.148 0.000 1.288 344 I HN 0.376 nan 8.210 nan 0.000 0.448 345 S N 3.920 119.635 115.700 0.024 0.000 2.537 345 S HA 0.704 5.211 4.470 0.063 0.000 0.275 345 S C 0.211 174.776 174.600 -0.058 0.000 1.272 345 S CA -0.514 57.684 58.200 -0.003 0.000 1.050 345 S CB 0.823 64.028 63.200 0.007 0.000 0.961 345 S HN 0.774 nan 8.310 nan 0.000 0.496 346 T N -0.505 114.026 114.554 -0.037 0.000 2.841 346 T HA 0.715 5.103 4.350 0.063 0.000 0.296 346 T C -0.602 174.121 174.700 0.038 0.000 1.166 346 T CA -0.819 61.261 62.100 -0.033 0.000 1.007 346 T CB 1.739 70.577 68.868 -0.050 0.000 1.253 346 T HN 0.383 nan 8.240 nan 0.000 0.511 347 S N -0.360 115.396 115.700 0.094 0.000 2.536 347 S HA 0.496 5.003 4.470 0.063 0.000 0.298 347 S C 1.111 175.856 174.600 0.241 0.000 1.083 347 S CA -0.925 57.382 58.200 0.179 0.000 0.995 347 S CB 0.534 63.849 63.200 0.192 0.000 1.058 347 S HN 0.840 nan 8.310 nan 0.000 0.488 348 I N 2.169 122.910 120.570 0.287 0.000 3.001 348 I HA 0.337 4.544 4.170 0.063 0.000 0.268 348 I C 1.010 177.269 176.117 0.238 0.000 1.267 348 I CA 0.280 61.754 61.300 0.291 0.000 1.472 348 I CB -0.932 37.233 38.000 0.274 0.000 1.089 348 I HN 0.452 nan 8.210 nan 0.000 0.468 349 G N 0.308 109.173 108.800 0.108 0.000 2.400 349 G HA2 0.473 4.470 3.960 0.063 0.000 0.333 349 G HA3 0.473 4.470 3.960 0.063 0.000 0.333 349 G C 0.510 175.242 174.900 -0.279 0.000 1.143 349 G CA 0.059 45.092 45.100 -0.112 0.000 0.914 349 G HN 0.251 nan 8.290 nan 0.000 0.480 350 S N -0.004 115.277 115.700 -0.698 0.000 2.535 350 S HA 0.072 4.579 4.470 0.063 0.000 0.214 350 S C 1.089 175.355 174.600 -0.556 0.000 0.980 350 S CA 0.350 57.896 58.200 -1.089 0.000 0.907 350 S CB -0.458 61.629 63.200 -1.854 0.000 0.790 350 S HN 1.107 nan 8.310 nan 0.000 0.510 351 V N 1.217 120.915 119.914 -0.361 0.000 2.763 351 V HA 0.329 4.487 4.120 0.063 0.000 0.306 351 V C 0.436 176.444 176.094 -0.143 0.000 1.059 351 V CA -0.950 61.213 62.300 -0.228 0.000 1.138 351 V CB -0.209 31.535 31.823 -0.132 0.000 0.940 351 V HN 0.294 nan 8.190 nan 0.000 0.489 352 N N 3.735 122.298 118.700 -0.227 0.000 2.453 352 N HA 0.317 5.095 4.740 0.063 0.000 0.253 352 N C -0.498 174.931 175.510 -0.134 0.000 1.252 352 N CA -0.120 52.752 53.050 -0.296 0.000 0.917 352 N CB 0.589 38.634 38.487 -0.737 0.000 1.117 352 N HN 0.755 nan 8.380 nan 0.000 0.442 353 M N 0.798 120.446 119.600 0.081 0.000 2.572 353 M HA 0.198 4.715 4.480 0.063 0.000 0.299 353 M C 1.286 177.747 176.300 0.268 0.000 1.205 353 M CA -0.608 54.840 55.300 0.246 0.000 0.876 353 M CB 1.089 33.792 32.600 0.171 0.000 1.728 353 M HN 0.574 nan 8.290 nan 0.000 0.458 354 S N 1.709 117.568 115.700 0.265 0.000 2.365 354 S HA -0.145 4.362 4.470 0.063 0.000 0.225 354 S C 1.649 176.235 174.600 -0.024 0.000 1.039 354 S CA 2.225 60.519 58.200 0.157 0.000 1.033 354 S CB 0.001 63.234 63.200 0.056 0.000 0.887 354 S HN 0.770 nan 8.310 nan 0.000 0.447 355 A N -0.148 122.511 122.820 -0.267 0.000 2.032 355 A HA 0.011 4.368 4.320 0.063 0.000 0.221 355 A C 1.239 178.517 177.584 -0.510 0.000 1.165 355 A CA 1.364 53.086 52.037 -0.525 0.000 0.645 355 A CB -0.619 17.837 19.000 -0.906 0.000 0.807 355 A HN 0.692 nan 8.150 nan 0.000 0.453 356 F N -1.962 118.048 119.950 0.099 0.000 2.805 356 F HA 0.482 5.050 4.527 0.068 0.000 0.317 356 F C 1.824 177.667 175.800 0.073 0.000 1.146 356 F CA -0.102 57.946 58.000 0.079 0.000 1.265 356 F CB -0.044 38.992 39.000 0.060 0.000 0.992 356 F HN 0.163 nan 8.300 nan 0.000 0.511 357 A N 1.067 124.007 122.820 0.200 0.000 1.903 357 A HA -0.220 4.137 4.320 0.063 0.000 0.219 357 A C 2.174 179.844 177.584 0.144 0.000 1.191 357 A CA 1.787 53.948 52.037 0.207 0.000 0.638 357 A CB -0.271 18.877 19.000 0.246 0.000 0.823 357 A HN 0.396 nan 8.150 nan 0.000 0.451 358 K N -1.020 119.464 120.400 0.140 0.000 2.358 358 K HA 0.117 4.475 4.320 0.063 0.000 0.197 358 K C -0.023 176.643 176.600 0.111 0.000 1.025 358 K CA -0.314 56.035 56.287 0.103 0.000 1.104 358 K CB 0.352 32.911 32.500 0.099 0.000 0.855 358 K HN 0.359 nan 8.250 nan 0.000 0.531 359 R N 1.459 122.053 120.500 0.157 0.000 2.538 359 R HA -0.009 4.368 4.340 0.063 0.000 0.282 359 R C 0.705 177.054 176.300 0.082 0.000 1.009 359 R CA 0.577 56.782 56.100 0.175 0.000 1.063 359 R CB 0.352 30.763 30.300 0.184 0.000 0.945 359 R HN 0.055 nan 8.270 nan 0.000 0.414 360 K N 2.101 122.557 120.400 0.093 0.000 2.353 360 K HA 0.199 4.556 4.320 0.063 0.000 0.195 360 K C 0.188 176.725 176.600 -0.105 0.000 1.031 360 K CA 0.450 56.699 56.287 -0.064 0.000 1.079 360 K CB 0.518 32.894 32.500 -0.206 0.000 0.857 360 K HN 0.445 nan 8.250 nan 0.000 0.535 361 I N 1.655 122.199 120.570 -0.043 0.000 2.382 361 I HA 0.168 4.376 4.170 0.063 0.000 0.286 361 I C -0.785 175.279 176.117 -0.088 0.000 1.002 361 I CA -1.004 60.194 61.300 -0.172 0.000 1.135 361 I CB 2.066 39.909 38.000 -0.262 0.000 1.288 361 I HN -0.313 nan 8.210 nan 0.000 0.448 362 V N 7.399 127.247 119.914 -0.109 0.000 2.328 362 V HA 0.308 4.465 4.120 0.063 0.000 0.278 362 V C 0.185 176.256 176.094 -0.038 0.000 1.021 362 V CA -0.520 61.757 62.300 -0.038 0.000 0.838 362 V CB 1.482 33.294 31.823 -0.017 0.000 0.999 362 V HN 0.526 nan 8.190 nan 0.000 0.447 363 L N 5.985 127.196 121.223 -0.021 0.000 2.315 363 L HA 0.446 4.824 4.340 0.063 0.000 0.283 363 L C 0.636 177.432 176.870 -0.123 0.000 1.089 363 L CA -0.022 54.777 54.840 -0.068 0.000 0.833 363 L CB 0.575 42.563 42.059 -0.119 0.000 1.170 363 L HN 0.605 nan 8.230 nan 0.000 0.442 364 R N 5.586 125.998 120.500 -0.146 0.000 2.247 364 R HA 0.509 4.886 4.340 0.063 0.000 0.329 364 R C -1.069 175.057 176.300 -0.290 0.000 1.014 364 R CA -0.470 55.451 56.100 -0.299 0.000 0.907 364 R CB 0.530 30.742 30.300 -0.146 0.000 1.146 364 R HN 0.549 nan 8.270 nan 0.000 0.499 365 I N 3.135 123.495 120.570 -0.350 0.000 2.378 365 I HA 0.220 4.427 4.170 0.063 0.000 0.291 365 I C 0.003 176.023 176.117 -0.162 0.000 0.992 365 I CA -0.625 60.547 61.300 -0.214 0.000 1.154 365 I CB 2.334 40.194 38.000 -0.233 0.000 1.315 365 I HN 0.464 nan 8.210 nan 0.000 0.448 366 T N 7.159 121.665 114.554 -0.080 0.000 2.743 366 T HA 0.490 4.878 4.350 0.063 0.000 0.293 366 T C 0.058 174.756 174.700 -0.004 0.000 0.945 366 T CA -0.173 61.891 62.100 -0.060 0.000 1.030 366 T CB 0.226 69.062 68.868 -0.053 0.000 0.912 366 T HN 0.260 nan 8.240 nan 0.000 0.483 367 I N 6.439 127.004 120.570 -0.008 0.000 2.297 367 I HA 0.282 4.489 4.170 0.063 0.000 0.291 367 I C -2.199 173.926 176.117 0.013 0.000 1.033 367 I CA -2.601 58.714 61.300 0.024 0.000 1.253 367 I CB 1.238 39.263 38.000 0.042 0.000 1.396 367 I HN 0.287 nan 8.210 nan 0.000 0.476 368 P HA 0.017 nan 4.420 nan 0.000 0.271 368 P C -0.471 176.846 177.300 0.027 0.000 1.218 368 P CA -0.530 62.574 63.100 0.007 0.000 0.780 368 P CB 0.524 32.221 31.700 -0.004 0.000 0.901 369 K N 2.061 122.479 120.400 0.031 0.000 2.530 369 K HA 0.090 4.447 4.320 0.063 0.000 0.280 369 K C 1.091 177.719 176.600 0.046 0.000 1.004 369 K CA 1.287 57.605 56.287 0.051 0.000 1.071 369 K CB -0.842 31.683 32.500 0.042 0.000 0.876 369 K HN 0.795 nan 8.250 nan 0.000 0.487 370 G N 2.206 111.044 108.800 0.064 0.000 2.176 370 G HA2 -0.241 3.757 3.960 0.063 0.000 0.232 370 G HA3 -0.241 3.757 3.960 0.063 0.000 0.232 370 G C -0.082 174.848 174.900 0.050 0.000 0.986 370 G CA 0.176 45.308 45.100 0.054 0.000 0.643 370 G HN 0.643 nan 8.290 nan 0.000 0.522 371 S N 2.298 118.028 115.700 0.051 0.000 2.579 371 S HA 0.474 4.981 4.470 0.063 0.000 0.275 371 S C -1.865 172.768 174.600 0.055 0.000 1.345 371 S CA -0.509 57.712 58.200 0.036 0.000 1.031 371 S CB 1.136 64.353 63.200 0.027 0.000 0.892 371 S HN 0.274 nan 8.310 nan 0.000 0.529 372 P HA 0.412 nan 4.420 nan 0.000 0.267 372 P C 0.097 177.425 177.300 0.047 0.000 1.200 372 P CA 0.299 63.434 63.100 0.059 0.000 0.772 372 P CB 0.376 32.105 31.700 0.048 0.000 0.855 373 G N -0.098 108.719 108.800 0.030 0.000 2.347 373 G HA2 0.538 4.535 3.960 0.063 0.000 0.303 373 G HA3 0.538 4.535 3.960 0.063 0.000 0.303 373 G C -2.144 172.595 174.900 -0.269 0.000 1.481 373 G CA 0.073 45.132 45.100 -0.068 0.000 0.914 373 G HN 0.539 nan 8.290 nan 0.000 0.638 374 A N -0.446 122.043 122.820 -0.551 0.000 2.547 374 A HA 0.674 5.031 4.320 0.063 0.000 0.297 374 A C -1.494 175.483 177.584 -1.012 0.000 1.056 374 A CA -0.617 50.681 52.037 -1.231 0.000 0.688 374 A CB 1.496 19.451 19.000 -1.741 0.000 1.282 374 A HN 1.854 nan 8.150 nan 0.000 0.400 375 Y N 3.705 123.137 120.300 -1.446 0.000 2.620 375 Y HA 0.301 4.888 4.550 0.061 0.000 0.352 375 Y C 0.891 176.506 175.900 -0.474 0.000 1.140 375 Y CA -0.230 57.476 58.100 -0.656 0.000 1.529 375 Y CB 0.065 38.298 38.460 -0.378 0.000 1.321 375 Y HN 0.609 nan 8.280 nan 0.000 0.501 376 L N 2.327 123.198 121.223 -0.588 0.000 2.141 376 L HA -0.180 4.197 4.340 0.063 0.000 0.209 376 L C 1.922 178.596 176.870 -0.325 0.000 1.094 376 L CA 1.122 55.695 54.840 -0.445 0.000 0.763 376 L CB -0.360 41.437 42.059 -0.437 0.000 0.908 376 L HN 0.505 nan 8.230 nan 0.000 0.437 377 S N 0.064 115.480 115.700 -0.474 0.000 2.595 377 S HA 0.004 4.512 4.470 0.063 0.000 0.235 377 S C 1.874 176.488 174.600 0.024 0.000 0.974 377 S CA 0.716 58.791 58.200 -0.209 0.000 0.942 377 S CB -0.038 62.883 63.200 -0.465 0.000 0.766 377 S HN 0.458 nan 8.310 nan 0.000 0.536 378 A N 0.861 123.754 122.820 0.122 0.000 2.123 378 A HA 0.291 4.648 4.320 0.063 0.000 0.214 378 A C 0.774 178.469 177.584 0.185 0.000 1.152 378 A CA 0.047 52.244 52.037 0.267 0.000 0.728 378 A CB -0.196 19.023 19.000 0.366 0.000 0.814 378 A HN 0.460 nan 8.150 nan 0.000 0.464 379 I N 1.904 122.562 120.570 0.147 0.000 2.452 379 I HA 0.124 4.331 4.170 0.063 0.000 0.287 379 I C -2.233 173.969 176.117 0.141 0.000 1.079 379 I CA -1.845 59.535 61.300 0.134 0.000 1.387 379 I CB 0.874 38.925 38.000 0.084 0.000 1.404 379 I HN 0.051 nan 8.210 nan 0.000 0.522 380 P HA 0.010 nan 4.420 nan 0.000 0.265 380 P C 0.921 178.282 177.300 0.101 0.000 1.187 380 P CA 0.710 63.866 63.100 0.093 0.000 0.766 380 P CB 0.657 32.398 31.700 0.068 0.000 0.820 381 G N 2.438 111.285 108.800 0.079 0.000 2.609 381 G HA2 -0.367 3.631 3.960 0.063 0.000 0.235 381 G HA3 -0.367 3.631 3.960 0.063 0.000 0.235 381 G C 0.287 175.229 174.900 0.071 0.000 1.177 381 G CA 0.270 45.407 45.100 0.061 0.000 0.707 381 G HN 0.669 nan 8.290 nan 0.000 0.513 382 Y N 2.355 122.652 120.300 -0.004 0.000 2.921 382 Y HA 0.169 4.756 4.550 0.062 0.000 0.366 382 Y C 1.035 176.912 175.900 -0.039 0.000 1.280 382 Y CA 0.297 58.388 58.100 -0.014 0.000 1.630 382 Y CB 0.136 38.587 38.460 -0.014 0.000 1.151 382 Y HN 0.850 nan 8.280 nan 0.000 0.552 383 A N 6.190 128.698 122.820 -0.520 0.000 2.805 383 A HA 0.564 4.921 4.320 0.063 0.000 0.301 383 A C 0.457 177.520 177.584 -0.868 0.000 1.557 383 A CA 0.535 52.263 52.037 -0.516 0.000 1.254 383 A CB -0.919 17.924 19.000 -0.262 0.000 1.114 383 A HN 1.311 nan 8.150 nan 0.000 0.553 384 G N 1.555 109.839 108.800 -0.861 0.000 2.387 384 G HA2 0.452 4.449 3.960 0.063 0.000 0.309 384 G HA3 0.452 4.449 3.960 0.063 0.000 0.309 384 G C -1.295 173.367 174.900 -0.395 0.000 1.641 384 G CA -0.742 43.953 45.100 -0.676 0.000 0.904 384 G HN 0.491 nan 8.290 nan 0.000 0.661 385 E N 0.941 120.960 120.200 -0.302 0.000 2.199 385 E HA 0.506 4.894 4.350 0.063 0.000 0.269 385 E C -0.643 175.759 176.600 -0.329 0.000 0.899 385 E CA -1.007 55.086 56.400 -0.512 0.000 0.772 385 E CB 1.700 30.957 29.700 -0.738 0.000 1.155 385 E HN 0.604 nan 8.360 nan 0.000 0.408 386 Y N -0.795 119.499 120.300 -0.010 0.000 4.177 386 Y HA -0.278 4.309 4.550 0.061 0.000 0.227 386 Y C 0.169 176.045 175.900 -0.040 0.000 1.154 386 Y CA 0.620 58.765 58.100 0.074 0.000 1.887 386 Y CB -2.022 36.523 38.460 0.141 0.000 1.594 386 Y HN 0.560 nan 8.280 nan 0.000 0.668 387 E N 0.626 120.698 120.200 -0.214 0.000 2.227 387 E HA 0.563 4.950 4.350 0.063 0.000 0.282 387 E C -0.816 175.635 176.600 -0.249 0.000 1.015 387 E CA -0.595 55.722 56.400 -0.138 0.000 0.823 387 E CB 1.046 30.709 29.700 -0.062 0.000 1.081 387 E HN 0.107 nan 8.360 nan 0.000 0.396 388 V N 6.067 125.942 119.914 -0.065 0.000 2.384 388 V HA 0.228 4.386 4.120 0.063 0.000 0.287 388 V C -0.352 175.688 176.094 -0.090 0.000 1.020 388 V CA -0.769 61.487 62.300 -0.072 0.000 0.850 388 V CB 1.302 33.165 31.823 0.066 0.000 0.987 388 V HN 0.608 nan 8.190 nan 0.000 0.436 389 L N 6.906 128.032 121.223 -0.162 0.000 2.276 389 L HA 0.567 4.944 4.340 0.063 0.000 0.286 389 L C -0.449 176.396 176.870 -0.042 0.000 1.061 389 L CA 0.411 55.193 54.840 -0.096 0.000 0.807 389 L CB 0.882 42.844 42.059 -0.162 0.000 1.177 389 L HN 0.498 nan 8.230 nan 0.000 0.429 390 L N 3.717 124.968 121.223 0.047 0.000 2.344 390 L HA 0.468 4.846 4.340 0.063 0.000 0.272 390 L C 0.139 177.116 176.870 0.179 0.000 1.035 390 L CA -0.994 53.896 54.840 0.084 0.000 0.807 390 L CB 1.398 43.517 42.059 0.099 0.000 1.237 390 L HN 0.616 nan 8.230 nan 0.000 0.442 391 N N 0.303 119.078 118.700 0.124 0.000 2.492 391 N HA 0.001 4.778 4.740 0.063 0.000 0.260 391 N C -0.417 175.024 175.510 -0.115 0.000 1.215 391 N CA -0.043 53.084 53.050 0.127 0.000 0.923 391 N CB 0.377 38.867 38.487 0.005 0.000 1.092 391 N HN 0.527 nan 8.380 nan 0.000 0.448 392 H N 0.804 119.512 119.070 -0.603 0.000 2.948 392 H HA 0.281 4.877 4.556 0.065 0.000 0.351 392 H C 1.223 176.367 175.328 -0.307 0.000 1.079 392 H CA 0.140 55.778 56.048 -0.682 0.000 1.407 392 H CB 0.231 29.260 29.762 -1.221 0.000 1.373 392 H HN 0.768 nan 8.280 nan 0.000 0.605 393 G N 2.117 110.772 108.800 -0.242 0.000 2.143 393 G HA2 -0.335 3.663 3.960 0.063 0.000 0.248 393 G HA3 -0.335 3.663 3.960 0.063 0.000 0.248 393 G C 0.031 174.797 174.900 -0.223 0.000 0.991 393 G CA 0.196 45.162 45.100 -0.223 0.000 0.689 393 G HN 0.802 nan 8.290 nan 0.000 0.522 394 S N 0.009 115.582 115.700 -0.212 0.000 2.564 394 S HA 0.440 4.947 4.470 0.063 0.000 0.278 394 S C 0.451 174.776 174.600 -0.459 0.000 1.333 394 S CA 0.098 58.078 58.200 -0.367 0.000 1.048 394 S CB 1.532 64.471 63.200 -0.435 0.000 0.900 394 S HN 0.542 nan 8.310 nan 0.000 0.505 395 K N 2.159 122.222 120.400 -0.561 0.000 2.221 395 K HA 0.505 4.862 4.320 0.063 0.000 0.258 395 K C -1.726 174.499 176.600 -0.625 0.000 0.944 395 K CA -0.484 55.556 56.287 -0.413 0.000 0.823 395 K CB 0.629 33.007 32.500 -0.203 0.000 1.113 395 K HN 0.451 nan 8.250 nan 0.000 0.431 396 F N 2.751 122.722 119.950 0.034 0.000 2.507 396 F HA 0.326 4.878 4.527 0.042 0.000 0.328 396 F C 0.058 175.879 175.800 0.035 0.000 1.136 396 F CA -0.835 57.180 58.000 0.026 0.000 0.930 396 F CB 1.736 40.761 39.000 0.042 0.000 1.166 396 F HN 0.317 nan 8.300 nan 0.000 0.436 397 K N 4.703 125.204 120.400 0.168 0.000 2.285 397 K HA 0.486 4.843 4.320 0.063 0.000 0.286 397 K C -0.622 176.047 176.600 0.115 0.000 1.072 397 K CA -0.287 56.066 56.287 0.109 0.000 0.913 397 K CB 0.504 33.025 32.500 0.034 0.000 1.067 397 K HN 0.688 nan 8.250 nan 0.000 0.479 398 I N 5.560 126.215 120.570 0.141 0.000 2.363 398 I HA -0.026 4.181 4.170 0.063 0.000 0.292 398 I C 0.985 177.159 176.117 0.095 0.000 1.075 398 I CA -0.409 60.973 61.300 0.136 0.000 1.333 398 I CB 0.754 38.878 38.000 0.207 0.000 1.415 398 I HN 0.722 nan 8.210 nan 0.000 0.502 399 N N 4.881 123.608 118.700 0.044 0.000 2.290 399 N HA -0.017 4.761 4.740 0.063 0.000 0.179 399 N C 0.391 176.032 175.510 0.217 0.000 1.016 399 N CA 0.833 53.885 53.050 0.002 0.000 0.871 399 N CB 0.198 38.538 38.487 -0.244 0.000 0.987 399 N HN 0.440 nan 8.380 nan 0.000 0.431 400 K N 0.188 120.705 120.400 0.195 0.000 2.583 400 K HA 0.405 4.763 4.320 0.063 0.000 0.260 400 K C -2.158 174.517 176.600 0.126 0.000 0.931 400 K CA -0.229 56.191 56.287 0.221 0.000 0.849 400 K CB 1.058 33.749 32.500 0.318 0.000 1.347 400 K HN -0.130 nan 8.250 nan 0.000 0.425 401 I N 3.213 123.844 120.570 0.101 0.000 2.465 401 I HA 0.429 4.636 4.170 0.063 0.000 0.291 401 I C -0.584 175.529 176.117 -0.006 0.000 1.014 401 I CA -0.753 60.574 61.300 0.045 0.000 1.093 401 I CB 1.935 39.992 38.000 0.095 0.000 1.267 401 I HN 0.555 nan 8.210 nan 0.000 0.431 402 D N 3.545 123.908 120.400 -0.063 0.000 2.374 402 D HA 0.548 5.225 4.640 0.063 0.000 0.239 402 D C -0.819 175.412 176.300 -0.116 0.000 0.991 402 D CA -0.178 53.776 54.000 -0.078 0.000 0.960 402 D CB 2.476 43.223 40.800 -0.088 0.000 1.284 402 D HN 0.534 nan 8.370 nan 0.000 0.512 403 S N -0.026 115.625 115.700 -0.081 0.000 2.568 403 S HA 0.801 5.309 4.470 0.063 0.000 0.293 403 S C -1.009 173.616 174.600 0.041 0.000 1.089 403 S CA -0.763 57.381 58.200 -0.093 0.000 0.945 403 S CB 1.732 64.846 63.200 -0.142 0.000 1.077 403 S HN 0.550 nan 8.310 nan 0.000 0.485 404 Y N -1.024 119.166 120.300 -0.184 0.000 2.609 404 Y HA 0.687 5.273 4.550 0.060 0.000 0.336 404 Y C -1.282 174.576 175.900 -0.071 0.000 1.129 404 Y CA -1.338 56.693 58.100 -0.115 0.000 1.040 404 Y CB 1.055 39.425 38.460 -0.150 0.000 1.310 404 Y HN 0.461 nan 8.280 nan 0.000 0.460 405 K N 2.505 122.900 120.400 -0.007 0.000 2.276 405 K HA 0.147 4.505 4.320 0.063 0.000 0.285 405 K C -1.306 175.341 176.600 0.078 0.000 1.062 405 K CA -0.203 56.057 56.287 -0.045 0.000 0.918 405 K CB 1.128 33.658 32.500 0.050 0.000 1.055 405 K HN 0.800 nan 8.250 nan 0.000 0.477 406 D N 2.568 122.915 120.400 -0.088 0.000 2.485 406 D HA 0.283 4.960 4.640 0.063 0.000 0.229 406 D C 0.901 177.288 176.300 0.146 0.000 1.101 406 D CA 0.310 54.401 54.000 0.151 0.000 0.906 406 D CB 0.395 41.119 40.800 -0.127 0.000 1.019 406 D HN 0.752 nan 8.370 nan 0.000 0.516 407 G N 3.516 112.435 108.800 0.198 0.000 2.601 407 G HA2 -0.385 3.612 3.960 0.063 0.000 0.306 407 G HA3 -0.385 3.612 3.960 0.063 0.000 0.306 407 G C 1.029 175.962 174.900 0.055 0.000 1.172 407 G CA 1.036 46.201 45.100 0.108 0.000 0.966 407 G HN 0.717 nan 8.290 nan 0.000 0.542 408 T N -1.183 113.390 114.554 0.031 0.000 3.069 408 T HA 0.580 4.968 4.350 0.063 0.000 0.252 408 T C 0.803 175.488 174.700 -0.026 0.000 1.053 408 T CA 0.542 62.645 62.100 0.005 0.000 0.964 408 T CB 0.255 69.127 68.868 0.007 0.000 1.005 408 T HN 0.579 nan 8.240 nan 0.000 0.532 409 I N 3.042 123.585 120.570 -0.045 0.000 2.330 409 I HA 0.286 4.494 4.170 0.063 0.000 0.289 409 I C 0.009 176.022 176.117 -0.174 0.000 1.001 409 I CA -0.533 60.708 61.300 -0.099 0.000 1.193 409 I CB 0.819 38.762 38.000 -0.095 0.000 1.345 409 I HN 0.058 nan 8.210 nan 0.000 0.461 410 T N 7.608 122.064 114.554 -0.164 0.000 2.834 410 T HA 0.232 4.620 4.350 0.063 0.000 0.298 410 T C 0.394 174.921 174.700 -0.289 0.000 0.966 410 T CA -0.106 61.864 62.100 -0.217 0.000 1.141 410 T CB 0.610 69.412 68.868 -0.110 0.000 0.905 410 T HN 0.424 nan 8.240 nan 0.000 0.535 411 K N 2.532 122.600 120.400 -0.553 0.000 2.350 411 K HA 0.668 5.026 4.320 0.063 0.000 0.241 411 K C -0.770 175.511 176.600 -0.531 0.000 0.994 411 K CA -0.938 55.004 56.287 -0.575 0.000 0.839 411 K CB 1.968 34.012 32.500 -0.760 0.000 1.244 411 K HN 0.369 nan 8.250 nan 0.000 0.443 412 L N 2.219 123.164 121.223 -0.464 0.000 2.346 412 L HA 0.567 4.944 4.340 0.063 0.000 0.274 412 L C -0.572 176.141 176.870 -0.262 0.000 1.007 412 L CA -1.003 53.570 54.840 -0.444 0.000 0.818 412 L CB 1.458 43.026 42.059 -0.818 0.000 1.284 412 L HN 0.433 nan 8.230 nan 0.000 0.424 413 I N 2.692 123.128 120.570 -0.223 0.000 2.362 413 I HA 0.318 4.525 4.170 0.063 0.000 0.289 413 I C -0.535 175.492 176.117 -0.150 0.000 0.994 413 I CA -0.737 60.424 61.300 -0.232 0.000 1.158 413 I CB 1.977 39.749 38.000 -0.380 0.000 1.315 413 I HN 0.171 nan 8.210 nan 0.000 0.451 414 V N 4.736 124.585 119.914 -0.107 0.000 2.318 414 V HA 0.156 4.313 4.120 0.063 0.000 0.271 414 V C -0.134 175.947 176.094 -0.022 0.000 1.030 414 V CA -0.491 61.788 62.300 -0.035 0.000 0.844 414 V CB 1.285 33.109 31.823 0.002 0.000 1.015 414 V HN 0.649 nan 8.190 nan 0.000 0.460 415 D N 4.832 125.235 120.400 0.004 0.000 2.352 415 D HA 0.513 5.191 4.640 0.063 0.000 0.245 415 D C 0.006 176.310 176.300 0.008 0.000 1.224 415 D CA 0.209 54.209 54.000 0.001 0.000 0.879 415 D CB 1.228 42.054 40.800 0.043 0.000 1.057 415 D HN 0.684 nan 8.370 nan 0.000 0.491 416 A N 3.063 125.871 122.820 -0.019 0.000 2.423 416 A HA 0.748 5.106 4.320 0.063 0.000 0.304 416 A C -0.391 177.211 177.584 0.031 0.000 1.104 416 A CA -0.720 51.332 52.037 0.024 0.000 0.757 416 A CB 1.708 20.727 19.000 0.033 0.000 1.313 416 A HN 0.428 nan 8.150 nan 0.000 0.423 417 T N 2.301 116.902 114.554 0.080 0.000 2.824 417 T HA 0.416 4.804 4.350 0.063 0.000 0.282 417 T C -0.356 174.437 174.700 0.155 0.000 0.993 417 T CA -0.422 61.721 62.100 0.073 0.000 0.967 417 T CB 1.092 69.955 68.868 -0.008 0.000 0.960 417 T HN 0.577 nan 8.240 nan 0.000 0.441 418 L N 6.125 127.444 121.223 0.160 0.000 2.418 418 L HA 0.490 4.868 4.340 0.063 0.000 0.274 418 L C -0.378 176.445 176.870 -0.078 0.000 1.135 418 L CA -0.020 54.830 54.840 0.017 0.000 0.870 418 L CB -0.281 41.805 42.059 0.046 0.000 1.154 418 L HN 0.694 nan 8.230 nan 0.000 0.462 419 I N 3.309 123.788 120.570 -0.152 0.000 3.067 419 I HA 0.673 4.881 4.170 0.063 0.000 0.312 419 I C -2.397 173.641 176.117 -0.130 0.000 1.073 419 I CA -2.239 58.996 61.300 -0.109 0.000 1.016 419 I CB 1.229 39.184 38.000 -0.075 0.000 1.227 419 I HN 0.390 nan 8.210 nan 0.000 0.456 420 P HA 0.000 nan 4.420 nan 0.000 0.216 420 P CA 0.000 63.046 63.100 -0.090 0.000 0.800 420 P CB 0.000 31.663 31.700 -0.062 0.000 0.726