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 2r6d_1_B DATA FIRST_RESID 10 DATA SEQUENCE PPQSIEAEQA VLGAVFLDPA ALVPASEILI PEDFYRAAHQ KIFHAMLRVA DATA SEQUENCE DRGEPVDLVT VTAELAASEQ LEEIGGVSYL SELADAVPTA ANVEYYARIV DATA SEQUENCE EEKSVLRRLI RTATSIAQDG YTREDEIDVL LDEADRKIME XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXITGIPTG FTELDRMTSG FQRSDLIIVA DATA SEQUENCE ARPSVGKTAF ALNIAQNVAT KTNENVAIFS LEMSAQQLVM RMLCAEGNIN DATA SEQUENCE AQNLRTGKLT PEDWGKLTMA MGSLSNAGIY IDDTPSIRVS DIRAKCRRLK DATA SEQUENCE QESGLGMIVI DYLQLIQGSG RXXXXXXXEV SEISRSLKAL ARELEVPVIA DATA SEQUENCE LSQLSRSVEX XXXXRPMMSD IRESGSIEQD ADIVAFLYXX XXXXXXXXXK DATA SEQUENCE NIIEIIIAKQ RNGPVGTVQL AFIKEYNKFV NL 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.157 177.300 -0.239 0.000 1.155 10 P CA 0.000 62.986 63.100 -0.190 0.000 0.800 10 P CB 0.000 31.550 31.700 -0.249 0.000 0.726 11 P HA 0.195 nan 4.420 nan 0.000 0.263 11 P C -0.489 176.677 177.300 -0.223 0.000 1.195 11 P CA 0.626 63.625 63.100 -0.169 0.000 0.762 11 P CB 1.134 32.759 31.700 -0.125 0.000 0.799 12 Q N 1.406 121.103 119.800 -0.172 0.000 2.541 12 Q HA 0.314 4.654 4.340 0.001 0.000 0.259 12 Q C -1.984 173.978 176.000 -0.063 0.000 0.974 12 Q CA -0.573 55.138 55.803 -0.152 0.000 0.955 12 Q CB 1.024 29.602 28.738 -0.266 0.000 1.517 12 Q HN 0.263 nan 8.270 nan 0.000 0.412 13 S N 5.771 121.455 115.700 -0.027 0.000 2.130 13 S HA 0.284 4.755 4.470 0.001 0.000 0.165 13 S C 1.254 175.888 174.600 0.055 0.000 1.677 13 S CA -0.583 57.623 58.200 0.011 0.000 1.227 13 S CB 0.146 63.346 63.200 0.000 0.000 1.115 13 S HN 0.618 nan 8.310 nan 0.000 0.452 14 I N 2.506 123.123 120.570 0.077 0.000 2.087 14 I HA -0.214 3.956 4.170 0.001 0.000 0.240 14 I C 2.450 178.657 176.117 0.149 0.000 1.054 14 I CA 1.847 63.216 61.300 0.115 0.000 1.311 14 I CB -1.087 36.981 38.000 0.113 0.000 1.024 14 I HN 0.669 nan 8.210 nan 0.000 0.402 15 E N 0.733 121.005 120.200 0.120 0.000 2.070 15 E HA -0.257 4.093 4.350 0.001 0.000 0.197 15 E C 2.250 178.917 176.600 0.111 0.000 1.004 15 E CA 1.677 58.147 56.400 0.116 0.000 0.805 15 E CB -0.226 29.542 29.700 0.113 0.000 0.744 15 E HN 0.558 nan 8.360 nan 0.000 0.451 16 A N 1.584 124.488 122.820 0.140 0.000 1.902 16 A HA -0.252 4.069 4.320 0.001 0.000 0.217 16 A C 1.988 179.614 177.584 0.069 0.000 1.181 16 A CA 1.566 53.705 52.037 0.169 0.000 0.623 16 A CB -0.448 18.658 19.000 0.177 0.000 0.818 16 A HN 0.206 nan 8.150 nan 0.000 0.443 17 E N -0.407 119.862 120.200 0.116 0.000 2.038 17 E HA -0.264 4.087 4.350 0.001 0.000 0.195 17 E C 2.308 179.064 176.600 0.261 0.000 1.000 17 E CA 1.534 58.092 56.400 0.263 0.000 0.803 17 E CB -0.293 29.701 29.700 0.490 0.000 0.750 17 E HN 0.727 nan 8.360 nan 0.000 0.448 18 Q N 0.239 120.163 119.800 0.208 0.000 2.152 18 Q HA -0.216 4.125 4.340 0.001 0.000 0.206 18 Q C 2.204 178.147 176.000 -0.095 0.000 0.985 18 Q CA 1.335 57.158 55.803 0.033 0.000 0.863 18 Q CB -0.248 28.527 28.738 0.061 0.000 0.904 18 Q HN 0.248 nan 8.270 nan 0.000 0.422 19 A N 0.493 123.218 122.820 -0.157 0.000 1.841 19 A HA -0.206 4.114 4.320 0.001 0.000 0.216 19 A C 2.341 179.778 177.584 -0.245 0.000 1.199 19 A CA 1.902 53.729 52.037 -0.351 0.000 0.621 19 A CB -1.126 17.338 19.000 -0.893 0.000 0.835 19 A HN 0.221 nan 8.150 nan 0.000 0.445 20 V N 0.347 120.173 119.914 -0.147 0.000 2.250 20 V HA -0.362 3.759 4.120 0.001 0.000 0.253 20 V C 2.590 178.679 176.094 -0.009 0.000 1.065 20 V CA 2.329 64.625 62.300 -0.006 0.000 1.039 20 V CB -1.152 30.733 31.823 0.104 0.000 0.647 20 V HN 0.566 nan 8.190 nan 0.000 0.446 21 L N 0.376 121.576 121.223 -0.038 0.000 1.970 21 L HA -0.150 4.190 4.340 0.001 0.000 0.212 21 L C 2.752 179.368 176.870 -0.424 0.000 1.071 21 L CA 2.133 56.829 54.840 -0.241 0.000 0.751 21 L CB -1.391 40.467 42.059 -0.336 0.000 0.889 21 L HN 0.510 nan 8.230 nan 0.000 0.432 22 G N -0.785 107.826 108.800 -0.316 0.000 2.450 22 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 22 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 22 G C 1.655 176.484 174.900 -0.119 0.000 1.130 22 G CA 0.821 45.789 45.100 -0.220 0.000 0.760 22 G HN 0.510 nan 8.290 nan 0.000 0.557 23 A N -0.211 122.539 122.820 -0.117 0.000 2.066 23 A HA 0.263 4.583 4.320 0.001 0.000 0.218 23 A C 2.503 180.079 177.584 -0.012 0.000 1.157 23 A CA 1.372 53.380 52.037 -0.050 0.000 0.670 23 A CB -0.188 18.782 19.000 -0.051 0.000 0.804 23 A HN 0.233 nan 8.150 nan 0.000 0.453 24 V N -0.978 118.902 119.914 -0.055 0.000 2.302 24 V HA -0.152 3.969 4.120 0.001 0.000 0.243 24 V C 2.218 178.367 176.094 0.092 0.000 1.036 24 V CA 1.617 63.912 62.300 -0.008 0.000 1.020 24 V CB -0.943 30.854 31.823 -0.043 0.000 0.657 24 V HN 0.533 nan 8.190 nan 0.000 0.453 25 F N -0.100 119.844 119.950 -0.011 0.000 2.147 25 F HA -0.226 4.302 4.527 0.001 0.000 0.301 25 F C 2.205 177.993 175.800 -0.020 0.000 1.084 25 F CA 1.051 59.037 58.000 -0.024 0.000 1.268 25 F CB -1.170 37.806 39.000 -0.040 0.000 1.009 25 F HN 0.080 nan 8.300 nan 0.000 0.486 26 L N -0.663 120.657 121.223 0.163 0.000 1.988 26 L HA -0.224 4.116 4.340 0.001 0.000 0.207 26 L C 2.435 179.343 176.870 0.063 0.000 1.071 26 L CA 1.857 56.749 54.840 0.086 0.000 0.744 26 L CB -0.448 41.641 42.059 0.049 0.000 0.893 26 L HN 0.033 nan 8.230 nan 0.000 0.433 27 D N -0.869 119.565 120.400 0.056 0.000 2.144 27 D HA -0.027 4.613 4.640 0.001 0.000 0.207 27 D C -1.097 175.226 176.300 0.039 0.000 0.970 27 D CA 0.846 54.871 54.000 0.042 0.000 0.853 27 D CB -0.621 40.202 40.800 0.038 0.000 1.007 27 D HN 0.269 nan 8.370 nan 0.000 0.469 28 P HA 0.406 nan 4.420 nan 0.000 0.263 28 P C -0.417 176.908 177.300 0.042 0.000 1.821 28 P CA 0.052 63.185 63.100 0.054 0.000 1.186 28 P CB 0.702 32.444 31.700 0.069 0.000 1.623 29 A N 0.333 123.175 122.820 0.036 0.000 2.261 29 A HA 0.366 4.686 4.320 0.001 0.000 0.208 29 A C 1.783 179.393 177.584 0.043 0.000 1.223 29 A CA 0.762 52.819 52.037 0.033 0.000 0.833 29 A CB -0.540 18.476 19.000 0.027 0.000 0.830 29 A HN 0.278 nan 8.150 nan 0.000 0.483 30 A N -0.996 121.855 122.820 0.051 0.000 2.275 30 A HA 0.300 4.620 4.320 0.001 0.000 0.212 30 A C 1.659 179.296 177.584 0.087 0.000 1.201 30 A CA 0.628 52.705 52.037 0.066 0.000 0.843 30 A CB -0.286 18.752 19.000 0.062 0.000 0.873 30 A HN 0.553 nan 8.150 nan 0.000 0.492 31 L N -0.283 120.984 121.223 0.073 0.000 2.313 31 L HA -0.001 4.339 4.340 0.001 0.000 0.214 31 L C 2.060 178.981 176.870 0.085 0.000 1.119 31 L CA 1.405 56.295 54.840 0.084 0.000 0.809 31 L CB -0.288 41.781 42.059 0.016 0.000 0.933 31 L HN 0.143 nan 8.230 nan 0.000 0.449 32 V N 0.700 120.652 119.914 0.063 0.000 2.270 32 V HA -0.124 3.997 4.120 0.001 0.000 0.245 32 V C -0.152 175.989 176.094 0.079 0.000 1.043 32 V CA 1.990 64.324 62.300 0.057 0.000 1.014 32 V CB -2.093 29.754 31.823 0.040 0.000 0.645 32 V HN 0.367 nan 8.190 nan 0.000 0.447 33 P HA -0.008 nan 4.420 nan 0.000 0.222 33 P C 1.564 178.936 177.300 0.120 0.000 1.153 33 P CA 1.673 64.827 63.100 0.090 0.000 0.798 33 P CB -0.114 31.637 31.700 0.084 0.000 0.796 34 A N 0.401 123.319 122.820 0.162 0.000 2.015 34 A HA -0.145 4.175 4.320 0.001 0.000 0.219 34 A C 2.336 180.129 177.584 0.348 0.000 1.163 34 A CA 2.130 54.308 52.037 0.234 0.000 0.646 34 A CB -1.402 17.789 19.000 0.318 0.000 0.806 34 A HN 0.354 nan 8.150 nan 0.000 0.448 35 S N -0.765 115.118 115.700 0.305 0.000 2.458 35 S HA -0.008 4.462 4.470 0.001 0.000 0.223 35 S C 1.522 176.230 174.600 0.180 0.000 1.019 35 S CA 0.888 59.270 58.200 0.303 0.000 0.937 35 S CB -0.253 63.031 63.200 0.139 0.000 0.788 35 S HN 0.606 nan 8.310 nan 0.000 0.511 36 E N 0.718 120.993 120.200 0.125 0.000 2.150 36 E HA 0.021 4.372 4.350 0.001 0.000 0.193 36 E C 1.599 178.243 176.600 0.074 0.000 0.985 36 E CA 1.321 57.771 56.400 0.082 0.000 0.814 36 E CB -0.158 29.580 29.700 0.064 0.000 0.752 36 E HN 0.617 nan 8.360 nan 0.000 0.466 37 I N -0.094 120.525 120.570 0.082 0.000 2.685 37 I HA -0.011 4.159 4.170 0.001 0.000 0.251 37 I C 0.697 176.834 176.117 0.034 0.000 1.102 37 I CA 0.277 61.601 61.300 0.041 0.000 1.442 37 I CB 0.411 38.422 38.000 0.018 0.000 1.194 37 I HN -0.089 nan 8.210 nan 0.000 0.448 38 L N 1.493 122.752 121.223 0.059 0.000 2.334 38 L HA 0.538 4.879 4.340 0.001 0.000 0.272 38 L C -0.618 176.380 176.870 0.214 0.000 1.020 38 L CA -0.822 54.027 54.840 0.015 0.000 0.812 38 L CB 1.933 43.849 42.059 -0.239 0.000 1.264 38 L HN 0.078 nan 8.230 nan 0.000 0.439 39 I N -1.617 119.077 120.570 0.207 0.000 2.785 39 I HA 0.522 4.692 4.170 0.001 0.000 0.302 39 I C -2.120 174.235 176.117 0.396 0.000 1.069 39 I CA -2.081 59.435 61.300 0.360 0.000 1.045 39 I CB 1.931 40.070 38.000 0.232 0.000 1.236 39 I HN 0.262 nan 8.210 nan 0.000 0.429 40 P HA -0.289 nan 4.420 nan 0.000 0.224 40 P C 1.087 178.611 177.300 0.374 0.000 1.153 40 P CA 1.924 65.301 63.100 0.463 0.000 0.947 40 P CB 0.074 32.000 31.700 0.376 0.000 0.790 41 E N -0.841 119.512 120.200 0.255 0.000 2.209 41 E HA -0.165 4.186 4.350 0.001 0.000 0.196 41 E C 1.668 178.371 176.600 0.172 0.000 0.993 41 E CA 1.078 57.587 56.400 0.182 0.000 0.819 41 E CB -0.780 28.995 29.700 0.125 0.000 0.745 41 E HN 0.343 nan 8.360 nan 0.000 0.477 42 D N -0.279 120.215 120.400 0.156 0.000 2.265 42 D HA -0.137 4.504 4.640 0.001 0.000 0.208 42 D C -0.138 176.133 176.300 -0.048 0.000 0.977 42 D CA 0.815 54.824 54.000 0.016 0.000 0.871 42 D CB -0.117 40.627 40.800 -0.094 0.000 0.925 42 D HN 0.165 nan 8.370 nan 0.000 0.485 43 F N 0.147 120.096 119.950 -0.003 0.000 2.420 43 F HA 0.069 4.597 4.527 0.001 0.000 0.352 43 F C 1.309 177.136 175.800 0.046 0.000 1.108 43 F CA -0.941 57.065 58.000 0.010 0.000 1.162 43 F CB 0.850 39.862 39.000 0.022 0.000 1.118 43 F HN -0.203 nan 8.300 nan 0.000 0.510 44 Y N 3.111 123.443 120.300 0.054 0.000 2.263 44 Y HA 0.094 4.644 4.550 0.001 0.000 0.292 44 Y C 1.175 177.061 175.900 -0.023 0.000 1.130 44 Y CA 0.937 59.037 58.100 -0.001 0.000 1.179 44 Y CB 0.012 38.447 38.460 -0.042 0.000 0.998 44 Y HN 0.327 nan 8.280 nan 0.000 0.532 45 R N 0.830 121.179 120.500 -0.252 0.000 2.288 45 R HA 0.246 4.587 4.340 0.001 0.000 0.330 45 R C 1.450 177.618 176.300 -0.220 0.000 1.069 45 R CA 0.343 56.191 56.100 -0.420 0.000 0.941 45 R CB 0.720 30.651 30.300 -0.615 0.000 0.998 45 R HN 0.470 nan 8.270 nan 0.000 0.452 46 A N 4.378 127.053 122.820 -0.240 0.000 1.900 46 A HA -0.387 3.933 4.320 0.001 0.000 0.225 46 A C 2.146 179.699 177.584 -0.052 0.000 1.414 46 A CA 2.598 54.557 52.037 -0.129 0.000 0.702 46 A CB -1.045 17.873 19.000 -0.137 0.000 0.845 46 A HN 0.896 nan 8.150 nan 0.000 0.478 47 A N -1.158 121.638 122.820 -0.040 0.000 1.870 47 A HA -0.317 4.004 4.320 0.001 0.000 0.219 47 A C 1.951 179.618 177.584 0.138 0.000 1.224 47 A CA 2.138 54.194 52.037 0.033 0.000 0.650 47 A CB -1.510 17.486 19.000 -0.006 0.000 0.836 47 A HN 0.833 nan 8.150 nan 0.000 0.454 48 H N -1.501 117.547 119.070 -0.037 0.000 2.289 48 H HA -0.226 4.331 4.556 0.001 0.000 0.296 48 H C 2.404 177.598 175.328 -0.225 0.000 1.091 48 H CA 1.530 57.516 56.048 -0.103 0.000 1.274 48 H CB -0.182 29.557 29.762 -0.039 0.000 1.364 48 H HN 0.708 nan 8.280 nan 0.000 0.490 49 Q N 1.238 121.047 119.800 0.015 0.000 2.142 49 Q HA -0.258 4.083 4.340 0.001 0.000 0.213 49 Q C 2.032 178.054 176.000 0.037 0.000 1.004 49 Q CA 2.293 58.107 55.803 0.018 0.000 0.883 49 Q CB 0.096 28.872 28.738 0.062 0.000 0.939 49 Q HN 0.251 nan 8.270 nan 0.000 0.413 50 K N -0.222 120.192 120.400 0.023 0.000 2.062 50 K HA -0.034 4.287 4.320 0.001 0.000 0.205 50 K C 1.868 178.501 176.600 0.054 0.000 1.051 50 K CA 1.222 57.525 56.287 0.026 0.000 0.941 50 K CB -0.101 32.401 32.500 0.002 0.000 0.719 50 K HN 0.235 nan 8.250 nan 0.000 0.440 51 I N -0.276 120.309 120.570 0.026 0.000 2.090 51 I HA -0.268 3.902 4.170 0.001 0.000 0.236 51 I C 1.891 177.995 176.117 -0.021 0.000 1.064 51 I CA 1.220 62.528 61.300 0.014 0.000 1.324 51 I CB -0.229 37.766 38.000 -0.009 0.000 1.044 51 I HN 0.062 nan 8.210 nan 0.000 0.399 52 F N 0.585 120.379 119.950 -0.260 0.000 2.411 52 F HA -0.281 4.246 4.527 0.001 0.000 0.299 52 F C 2.395 178.133 175.800 -0.104 0.000 1.077 52 F CA 1.552 59.382 58.000 -0.284 0.000 1.439 52 F CB -0.374 38.235 39.000 -0.652 0.000 1.085 52 F HN 0.222 nan 8.300 nan 0.000 0.564 53 H N -0.542 118.467 119.070 -0.102 0.000 2.320 53 H HA 0.086 4.642 4.556 0.001 0.000 0.309 53 H C 2.301 177.552 175.328 -0.127 0.000 1.057 53 H CA 1.177 57.166 56.048 -0.099 0.000 1.374 53 H CB -0.380 29.372 29.762 -0.016 0.000 1.421 53 H HN 0.232 nan 8.280 nan 0.000 0.532 54 A N 1.643 124.521 122.820 0.097 0.000 1.892 54 A HA -0.252 4.068 4.320 0.001 0.000 0.218 54 A C 2.698 180.243 177.584 -0.065 0.000 1.188 54 A CA 2.154 54.219 52.037 0.046 0.000 0.631 54 A CB -1.040 17.998 19.000 0.063 0.000 0.822 54 A HN 0.521 nan 8.150 nan 0.000 0.447 55 M N -1.153 118.385 119.600 -0.104 0.000 2.088 55 M HA -0.215 4.265 4.480 0.001 0.000 0.256 55 M C 2.142 178.299 176.300 -0.238 0.000 1.071 55 M CA 2.038 57.249 55.300 -0.150 0.000 1.097 55 M CB -0.309 32.154 32.600 -0.228 0.000 1.315 55 M HN 0.473 nan 8.290 nan 0.000 0.406 56 L N -1.070 119.914 121.223 -0.397 0.000 2.141 56 L HA -0.198 4.142 4.340 0.001 0.000 0.209 56 L C 2.511 179.213 176.870 -0.280 0.000 1.094 56 L CA 1.179 55.781 54.840 -0.398 0.000 0.763 56 L CB -0.291 41.447 42.059 -0.535 0.000 0.908 56 L HN 0.262 nan 8.230 nan 0.000 0.437 57 R N -1.162 119.178 120.500 -0.266 0.000 2.148 57 R HA -0.079 4.262 4.340 0.001 0.000 0.223 57 R C 1.995 178.237 176.300 -0.097 0.000 1.088 57 R CA 0.803 56.799 56.100 -0.174 0.000 0.985 57 R CB 0.111 30.345 30.300 -0.111 0.000 0.880 57 R HN 0.173 nan 8.270 nan 0.000 0.451 58 V N 0.489 120.351 119.914 -0.086 0.000 2.871 58 V HA -0.076 4.044 4.120 0.001 0.000 0.256 58 V C 2.159 178.218 176.094 -0.059 0.000 1.082 58 V CA 1.469 63.736 62.300 -0.054 0.000 1.105 58 V CB -0.024 31.779 31.823 -0.034 0.000 0.713 58 V HN 0.421 nan 8.190 nan 0.000 0.473 59 A N -0.567 122.200 122.820 -0.088 0.000 2.070 59 A HA -0.180 4.140 4.320 0.001 0.000 0.220 59 A C 1.519 179.067 177.584 -0.061 0.000 1.159 59 A CA 1.510 53.501 52.037 -0.077 0.000 0.656 59 A CB -0.299 18.635 19.000 -0.109 0.000 0.800 59 A HN 0.506 nan 8.150 nan 0.000 0.453 60 D N -1.064 119.297 120.400 -0.065 0.000 2.706 60 D HA 0.242 4.883 4.640 0.001 0.000 0.236 60 D C 1.174 177.454 176.300 -0.033 0.000 1.231 60 D CA 0.153 54.123 54.000 -0.049 0.000 0.828 60 D CB 0.337 41.102 40.800 -0.058 0.000 1.015 60 D HN 0.467 nan 8.370 nan 0.000 0.484 61 R N -0.423 120.059 120.500 -0.028 0.000 2.450 61 R HA 0.462 4.803 4.340 0.001 0.000 0.149 61 R C 0.698 176.989 176.300 -0.015 0.000 1.895 61 R CA 0.214 56.303 56.100 -0.020 0.000 1.488 61 R CB 0.121 30.410 30.300 -0.018 0.000 1.316 61 R HN 0.108 nan 8.270 nan 0.000 0.474 62 G N 1.095 109.886 108.800 -0.014 0.000 2.705 62 G HA2 -0.184 3.776 3.960 0.001 0.000 0.686 62 G HA3 -0.184 3.776 3.960 0.001 0.000 0.686 62 G C -0.153 174.736 174.900 -0.019 0.000 1.285 62 G CA 0.074 45.164 45.100 -0.015 0.000 0.800 62 G HN 0.556 nan 8.290 nan 0.000 0.611 63 E N -0.590 119.600 120.200 -0.017 0.000 2.653 63 E HA 0.193 4.544 4.350 0.001 0.000 0.218 63 E C -1.149 175.445 176.600 -0.010 0.000 0.911 63 E CA 0.218 56.611 56.400 -0.013 0.000 1.355 63 E CB 0.423 30.115 29.700 -0.014 0.000 1.314 63 E HN 0.568 nan 8.360 nan 0.000 0.686 64 P HA 0.389 nan 4.420 nan 0.000 0.339 64 P C -0.567 176.731 177.300 -0.003 0.000 1.267 64 P CA -0.563 62.533 63.100 -0.008 0.000 0.801 64 P CB 0.694 32.392 31.700 -0.003 0.000 1.860 65 V N 1.300 121.219 119.914 0.007 0.000 2.394 65 V HA 0.576 4.696 4.120 0.001 0.000 0.282 65 V C -0.309 175.818 176.094 0.054 0.000 1.031 65 V CA -0.146 62.171 62.300 0.029 0.000 0.881 65 V CB 0.552 32.393 31.823 0.030 0.000 0.982 65 V HN 0.882 nan 8.190 nan 0.000 0.451 66 D N 3.201 123.629 120.400 0.047 0.000 2.779 66 D HA 0.132 4.772 4.640 0.001 0.000 0.331 66 D C 0.665 176.886 176.300 -0.131 0.000 1.331 66 D CA -0.827 53.182 54.000 0.016 0.000 0.866 66 D CB 0.858 41.645 40.800 -0.022 0.000 1.409 66 D HN 0.223 nan 8.370 nan 0.000 0.486 67 L N 0.355 121.377 121.223 -0.335 0.000 2.081 67 L HA -0.112 4.228 4.340 0.001 0.000 0.212 67 L C 1.743 178.408 176.870 -0.342 0.000 1.080 67 L CA 1.600 56.065 54.840 -0.626 0.000 0.754 67 L CB -0.410 41.318 42.059 -0.552 0.000 0.893 67 L HN 0.455 nan 8.230 nan 0.000 0.433 68 V N -0.732 119.068 119.914 -0.191 0.000 2.231 68 V HA -0.257 3.864 4.120 0.001 0.000 0.240 68 V C 2.616 178.660 176.094 -0.083 0.000 1.039 68 V CA 2.098 64.326 62.300 -0.119 0.000 0.998 68 V CB -0.515 31.259 31.823 -0.081 0.000 0.639 68 V HN 0.447 nan 8.190 nan 0.000 0.451 69 T N -0.440 114.079 114.554 -0.059 0.000 2.802 69 T HA -0.183 4.168 4.350 0.001 0.000 0.269 69 T C 1.668 176.359 174.700 -0.014 0.000 1.062 69 T CA 1.758 63.840 62.100 -0.030 0.000 1.133 69 T CB -0.176 68.680 68.868 -0.020 0.000 0.852 69 T HN 0.226 nan 8.240 nan 0.000 0.485 70 V N 1.243 121.151 119.914 -0.010 0.000 2.346 70 V HA -0.084 4.037 4.120 0.001 0.000 0.244 70 V C 2.955 179.065 176.094 0.026 0.000 1.037 70 V CA 2.090 64.415 62.300 0.042 0.000 1.029 70 V CB -1.059 30.862 31.823 0.164 0.000 0.663 70 V HN 0.728 nan 8.190 nan 0.000 0.454 71 T N -0.769 113.774 114.554 -0.018 0.000 2.915 71 T HA -0.081 4.269 4.350 0.001 0.000 0.269 71 T C 1.833 176.528 174.700 -0.007 0.000 1.071 71 T CA 1.489 63.582 62.100 -0.011 0.000 1.132 71 T CB -0.269 68.573 68.868 -0.043 0.000 0.878 71 T HN 0.417 nan 8.240 nan 0.000 0.479 72 A N 1.361 124.173 122.820 -0.014 0.000 1.930 72 A HA 0.012 4.332 4.320 0.001 0.000 0.217 72 A C 2.259 179.843 177.584 -0.000 0.000 1.175 72 A CA 1.832 53.863 52.037 -0.010 0.000 0.627 72 A CB -0.730 18.261 19.000 -0.016 0.000 0.815 72 A HN 0.597 nan 8.150 nan 0.000 0.443 73 E N -0.086 120.118 120.200 0.007 0.000 2.158 73 E HA 0.018 4.368 4.350 0.001 0.000 0.191 73 E C 1.769 178.383 176.600 0.022 0.000 0.982 73 E CA 0.655 57.064 56.400 0.015 0.000 0.823 73 E CB -0.312 29.398 29.700 0.018 0.000 0.766 73 E HN 0.581 nan 8.360 nan 0.000 0.468 74 L N -0.139 121.099 121.223 0.025 0.000 2.072 74 L HA -0.030 4.311 4.340 0.001 0.000 0.205 74 L C 2.474 179.353 176.870 0.015 0.000 1.079 74 L CA 1.057 55.913 54.840 0.027 0.000 0.752 74 L CB -0.550 41.532 42.059 0.038 0.000 0.906 74 L HN 0.203 nan 8.230 nan 0.000 0.436 75 A N 0.084 122.909 122.820 0.010 0.000 1.978 75 A HA -0.208 4.113 4.320 0.001 0.000 0.220 75 A C 2.502 180.088 177.584 0.003 0.000 1.170 75 A CA 1.776 53.816 52.037 0.004 0.000 0.636 75 A CB -0.653 18.347 19.000 -0.000 0.000 0.810 75 A HN 0.425 nan 8.150 nan 0.000 0.448 76 A N 0.374 123.197 122.820 0.005 0.000 1.845 76 A HA -0.071 4.249 4.320 0.001 0.000 0.215 76 A C 2.124 179.711 177.584 0.005 0.000 1.195 76 A CA 2.007 54.047 52.037 0.005 0.000 0.616 76 A CB -1.029 17.975 19.000 0.008 0.000 0.832 76 A HN 1.012 nan 8.150 nan 0.000 0.443 77 S N 0.748 116.452 115.700 0.007 0.000 2.859 77 S HA 0.227 4.698 4.470 0.001 0.000 0.245 77 S C 0.372 174.970 174.600 -0.004 0.000 1.008 77 S CA 0.515 58.716 58.200 0.001 0.000 1.089 77 S CB -0.971 62.230 63.200 0.001 0.000 0.798 77 S HN 0.780 nan 8.310 nan 0.000 0.477 78 E N 1.093 121.292 120.200 -0.002 0.000 2.162 78 E HA -0.342 4.008 4.350 0.001 0.000 0.209 78 E C -0.159 176.438 176.600 -0.006 0.000 1.328 78 E CA 1.127 57.525 56.400 -0.004 0.000 0.712 78 E CB -2.347 27.350 29.700 -0.005 0.000 1.107 78 E HN 0.987 nan 8.360 nan 0.000 0.347 79 Q N -0.492 119.306 119.800 -0.003 0.000 2.333 79 Q HA 0.426 4.766 4.340 0.001 0.000 0.365 79 Q C 0.753 176.756 176.000 0.005 0.000 0.882 79 Q CA -0.492 55.308 55.803 -0.005 0.000 1.124 79 Q CB 0.621 29.351 28.738 -0.013 0.000 1.345 79 Q HN 0.441 nan 8.270 nan 0.000 0.409 80 L N 0.108 121.336 121.223 0.008 0.000 2.116 80 L HA 0.088 4.428 4.340 0.001 0.000 0.200 80 L C 2.183 179.062 176.870 0.014 0.000 1.084 80 L CA 0.915 55.766 54.840 0.017 0.000 0.766 80 L CB 0.200 42.268 42.059 0.015 0.000 0.930 80 L HN 0.514 nan 8.230 nan 0.000 0.453 81 E N 0.111 120.314 120.200 0.006 0.000 2.472 81 E HA -0.268 4.082 4.350 0.001 0.000 0.200 81 E C 1.620 178.213 176.600 -0.012 0.000 1.046 81 E CA 0.604 57.004 56.400 0.000 0.000 0.871 81 E CB 0.231 29.930 29.700 -0.002 0.000 0.806 81 E HN 0.483 nan 8.360 nan 0.000 0.533 82 E N -0.101 120.090 120.200 -0.015 0.000 2.285 82 E HA -0.087 4.264 4.350 0.001 0.000 0.194 82 E C 1.504 178.077 176.600 -0.045 0.000 0.997 82 E CA 0.216 56.599 56.400 -0.028 0.000 0.845 82 E CB 0.241 29.926 29.700 -0.024 0.000 0.782 82 E HN 0.269 nan 8.360 nan 0.000 0.491 83 I N -0.401 120.146 120.570 -0.038 0.000 4.809 83 I HA 0.083 4.254 4.170 0.001 0.000 0.209 83 I C 1.671 177.705 176.117 -0.138 0.000 0.969 83 I CA 0.475 61.727 61.300 -0.081 0.000 1.498 83 I CB -0.512 37.483 38.000 -0.008 0.000 1.359 83 I HN 0.010 nan 8.210 nan 0.000 0.433 84 G N -0.804 107.935 108.800 -0.103 0.000 3.099 84 G HA2 0.543 4.503 3.960 0.001 0.000 0.151 84 G HA3 0.543 4.503 3.960 0.001 0.000 0.151 84 G C 0.055 174.981 174.900 0.043 0.000 1.265 84 G CA 0.102 45.184 45.100 -0.029 0.000 0.981 84 G HN 0.570 nan 8.290 nan 0.000 0.601 85 G N -1.460 107.390 108.800 0.082 0.000 2.546 85 G HA2 0.375 4.335 3.960 0.001 0.000 0.239 85 G HA3 0.375 4.335 3.960 0.001 0.000 0.239 85 G C 1.351 176.303 174.900 0.087 0.000 1.476 85 G CA 0.958 46.097 45.100 0.065 0.000 1.064 85 G HN 1.114 nan 8.290 nan 0.000 0.561 86 V N -1.805 118.141 119.914 0.054 0.000 2.871 86 V HA -0.052 4.069 4.120 0.001 0.000 0.256 86 V C 2.621 178.746 176.094 0.053 0.000 1.082 86 V CA 1.889 64.214 62.300 0.041 0.000 1.105 86 V CB -0.720 31.098 31.823 -0.008 0.000 0.713 86 V HN 0.479 nan 8.190 nan 0.000 0.473 87 S N 0.478 116.214 115.700 0.060 0.000 2.393 87 S HA -0.347 4.123 4.470 0.001 0.000 0.234 87 S C 1.790 176.449 174.600 0.098 0.000 1.064 87 S CA 2.669 60.909 58.200 0.066 0.000 1.088 87 S CB -0.800 62.444 63.200 0.072 0.000 0.939 87 S HN 0.824 nan 8.310 nan 0.000 0.448 88 Y N 1.855 122.171 120.300 0.027 0.000 2.263 88 Y HA 0.071 4.622 4.550 0.001 0.000 0.292 88 Y C 1.907 177.845 175.900 0.063 0.000 1.130 88 Y CA 0.851 58.974 58.100 0.038 0.000 1.179 88 Y CB -0.319 38.163 38.460 0.037 0.000 0.998 88 Y HN 0.133 nan 8.280 nan 0.000 0.532 89 L N -1.023 120.259 121.223 0.099 0.000 2.046 89 L HA -0.238 4.102 4.340 0.001 0.000 0.208 89 L C 2.518 179.425 176.870 0.061 0.000 1.077 89 L CA 1.591 56.516 54.840 0.140 0.000 0.747 89 L CB -0.728 41.420 42.059 0.148 0.000 0.896 89 L HN 0.094 nan 8.230 nan 0.000 0.432 90 S N -0.709 114.978 115.700 -0.022 0.000 2.382 90 S HA -0.191 4.280 4.470 0.001 0.000 0.228 90 S C 1.861 176.434 174.600 -0.045 0.000 1.027 90 S CA 1.031 59.207 58.200 -0.039 0.000 0.991 90 S CB -0.178 62.997 63.200 -0.042 0.000 0.823 90 S HN 0.392 nan 8.310 nan 0.000 0.469 91 E N 0.731 120.875 120.200 -0.093 0.000 2.118 91 E HA -0.147 4.204 4.350 0.001 0.000 0.195 91 E C 1.910 178.401 176.600 -0.183 0.000 0.992 91 E CA 0.920 57.237 56.400 -0.138 0.000 0.804 91 E CB -0.208 29.383 29.700 -0.182 0.000 0.741 91 E HN 0.459 nan 8.360 nan 0.000 0.458 92 L N -0.062 121.014 121.223 -0.246 0.000 2.056 92 L HA -0.133 4.207 4.340 0.001 0.000 0.207 92 L C 2.579 179.416 176.870 -0.055 0.000 1.078 92 L CA 0.978 55.689 54.840 -0.215 0.000 0.749 92 L CB -0.414 41.480 42.059 -0.274 0.000 0.901 92 L HN 0.114 nan 8.230 nan 0.000 0.433 93 A N -0.541 122.332 122.820 0.087 0.000 1.930 93 A HA -0.186 4.135 4.320 0.001 0.000 0.217 93 A C 1.864 179.462 177.584 0.024 0.000 1.175 93 A CA 1.630 53.734 52.037 0.112 0.000 0.627 93 A CB -0.360 18.739 19.000 0.165 0.000 0.815 93 A HN 0.369 nan 8.150 nan 0.000 0.443 94 D N -0.404 119.994 120.400 -0.003 0.000 2.349 94 D HA 0.193 4.833 4.640 0.001 0.000 0.215 94 D C 1.904 178.192 176.300 -0.020 0.000 1.016 94 D CA 0.880 54.873 54.000 -0.012 0.000 0.870 94 D CB 0.186 40.977 40.800 -0.015 0.000 0.917 94 D HN 0.458 nan 8.370 nan 0.000 0.524 95 A N 0.444 123.242 122.820 -0.036 0.000 1.935 95 A HA 0.048 4.369 4.320 0.001 0.000 0.214 95 A C 1.264 178.830 177.584 -0.029 0.000 1.178 95 A CA 0.525 52.542 52.037 -0.035 0.000 0.640 95 A CB 0.288 19.256 19.000 -0.054 0.000 0.825 95 A HN 0.044 nan 8.150 nan 0.000 0.447 96 V N 1.225 121.113 119.914 -0.042 0.000 2.435 96 V HA 0.285 4.405 4.120 0.001 0.000 0.290 96 V C -1.426 174.654 176.094 -0.022 0.000 1.030 96 V CA -0.938 61.336 62.300 -0.044 0.000 0.881 96 V CB 1.716 33.480 31.823 -0.099 0.000 0.983 96 V HN 0.368 nan 8.190 nan 0.000 0.445 97 P HA 0.078 nan 4.420 nan 0.000 0.224 97 P C 0.456 177.759 177.300 0.004 0.000 1.159 97 P CA 0.572 63.672 63.100 0.001 0.000 0.824 97 P CB 0.504 32.209 31.700 0.007 0.000 0.833 98 T N -0.906 113.652 114.554 0.007 0.000 2.881 98 T HA 0.632 4.982 4.350 0.001 0.000 0.290 98 T C -0.041 174.669 174.700 0.017 0.000 1.000 98 T CA -0.412 61.696 62.100 0.013 0.000 0.978 98 T CB 1.123 70.001 68.868 0.015 0.000 0.997 98 T HN -0.093 nan 8.240 nan 0.000 0.443 99 A N 2.995 125.827 122.820 0.020 0.000 2.423 99 A HA 0.617 4.937 4.320 0.001 0.000 0.246 99 A C 2.017 179.627 177.584 0.044 0.000 1.278 99 A CA 0.643 52.697 52.037 0.028 0.000 0.903 99 A CB -0.410 18.605 19.000 0.025 0.000 0.997 99 A HN 0.965 nan 8.150 nan 0.000 0.510 100 A N 0.608 123.450 122.820 0.036 0.000 2.015 100 A HA -0.115 4.205 4.320 0.001 0.000 0.219 100 A C 1.869 179.477 177.584 0.039 0.000 1.163 100 A CA 1.328 53.383 52.037 0.030 0.000 0.646 100 A CB -0.354 18.652 19.000 0.011 0.000 0.806 100 A HN 0.607 nan 8.150 nan 0.000 0.448 101 N N -0.269 118.469 118.700 0.064 0.000 2.187 101 N HA 0.049 4.790 4.740 0.001 0.000 0.191 101 N C 1.514 177.149 175.510 0.207 0.000 1.057 101 N CA 1.762 54.861 53.050 0.082 0.000 0.913 101 N CB -0.571 38.002 38.487 0.143 0.000 1.089 101 N HN 0.241 nan 8.380 nan 0.000 0.472 102 V N 0.510 120.642 119.914 0.364 0.000 0.497 102 V HA -0.342 3.778 4.120 0.001 0.000 0.092 102 V C 0.816 177.136 176.094 0.378 0.000 2.331 102 V CA 2.561 65.046 62.300 0.307 0.000 3.613 102 V CB -1.405 30.514 31.823 0.159 0.000 0.899 102 V HN 0.789 nan 8.190 nan 0.000 0.942 103 E N -0.171 120.215 120.200 0.310 0.000 2.947 103 E HA 0.620 4.970 4.350 0.001 0.000 0.229 103 E C -0.269 176.445 176.600 0.191 0.000 1.158 103 E CA -0.344 56.185 56.400 0.215 0.000 1.441 103 E CB 0.334 30.119 29.700 0.140 0.000 1.414 103 E HN 0.725 nan 8.360 nan 0.000 0.432 104 Y N -1.693 118.616 120.300 0.014 0.000 2.299 104 Y HA -0.054 4.497 4.550 0.001 0.000 0.399 104 Y C 0.083 175.961 175.900 -0.036 0.000 1.500 104 Y CA -0.429 57.685 58.100 0.023 0.000 1.059 104 Y CB -0.292 38.155 38.460 -0.021 0.000 4.503 104 Y HN 0.097 nan 8.280 nan 0.000 0.165 105 Y N -1.899 118.238 120.300 -0.272 0.000 2.736 105 Y HA -0.524 4.026 4.550 0.001 0.000 0.479 105 Y C 1.867 177.725 175.900 -0.070 0.000 1.110 105 Y CA 1.430 59.561 58.100 0.053 0.000 2.900 105 Y CB -1.960 36.662 38.460 0.269 0.000 1.048 105 Y HN 0.635 nan 8.280 nan 0.000 0.588 106 A N 0.037 122.939 122.820 0.137 0.000 1.872 106 A HA -0.127 4.193 4.320 0.001 0.000 0.214 106 A C 1.792 179.313 177.584 -0.104 0.000 1.187 106 A CA 1.934 53.958 52.037 -0.022 0.000 0.614 106 A CB -0.561 18.456 19.000 0.028 0.000 0.826 106 A HN 0.569 nan 8.150 nan 0.000 0.442 107 R N -0.693 119.741 120.500 -0.111 0.000 2.189 107 R HA 0.130 4.470 4.340 0.001 0.000 0.218 107 R C 1.854 178.027 176.300 -0.211 0.000 1.074 107 R CA 0.869 56.871 56.100 -0.165 0.000 0.991 107 R CB -0.291 29.910 30.300 -0.164 0.000 0.883 107 R HN 0.556 nan 8.270 nan 0.000 0.457 108 I N 0.041 120.462 120.570 -0.249 0.000 2.202 108 I HA -0.251 3.919 4.170 0.001 0.000 0.242 108 I C 2.032 178.053 176.117 -0.159 0.000 1.091 108 I CA 1.150 62.326 61.300 -0.207 0.000 1.368 108 I CB -0.131 37.762 38.000 -0.179 0.000 1.058 108 I HN -0.015 nan 8.210 nan 0.000 0.410 109 V N 0.686 120.495 119.914 -0.175 0.000 2.392 109 V HA -0.303 3.817 4.120 0.001 0.000 0.249 109 V C 2.491 178.442 176.094 -0.239 0.000 1.059 109 V CA 1.965 64.112 62.300 -0.255 0.000 1.051 109 V CB -0.712 30.827 31.823 -0.472 0.000 0.658 109 V HN 0.493 nan 8.190 nan 0.000 0.455 110 E N 0.183 120.258 120.200 -0.209 0.000 2.051 110 E HA -0.248 4.103 4.350 0.001 0.000 0.192 110 E C 2.214 178.741 176.600 -0.122 0.000 0.991 110 E CA 1.591 57.896 56.400 -0.158 0.000 0.799 110 E CB -0.042 29.583 29.700 -0.126 0.000 0.748 110 E HN 0.718 nan 8.360 nan 0.000 0.449 111 E N 0.312 120.439 120.200 -0.122 0.000 2.033 111 E HA -0.222 4.129 4.350 0.001 0.000 0.199 111 E C 2.175 178.717 176.600 -0.096 0.000 1.011 111 E CA 1.291 57.630 56.400 -0.103 0.000 0.815 111 E CB -0.023 29.612 29.700 -0.109 0.000 0.755 111 E HN 0.089 nan 8.360 nan 0.000 0.451 112 K N 0.530 120.864 120.400 -0.108 0.000 2.103 112 K HA -0.136 4.184 4.320 0.001 0.000 0.207 112 K C 2.288 178.831 176.600 -0.096 0.000 1.048 112 K CA 0.879 57.104 56.287 -0.105 0.000 0.930 112 K CB -0.661 31.773 32.500 -0.111 0.000 0.716 112 K HN 0.010 nan 8.250 nan 0.000 0.444 113 S N 0.729 116.371 115.700 -0.097 0.000 2.343 113 S HA -0.113 4.358 4.470 0.001 0.000 0.219 113 S C 2.124 176.694 174.600 -0.050 0.000 1.033 113 S CA 1.382 59.541 58.200 -0.068 0.000 1.014 113 S CB -0.218 62.934 63.200 -0.081 0.000 0.915 113 S HN 0.057 nan 8.310 nan 0.000 0.435 114 V N 2.261 122.142 119.914 -0.055 0.000 2.407 114 V HA -0.133 3.987 4.120 0.001 0.000 0.248 114 V C 2.433 178.502 176.094 -0.042 0.000 1.055 114 V CA 1.674 63.949 62.300 -0.042 0.000 1.049 114 V CB -0.634 31.163 31.823 -0.044 0.000 0.662 114 V HN 0.484 nan 8.190 nan 0.000 0.455 115 L N -0.543 120.648 121.223 -0.054 0.000 2.042 115 L HA -0.212 4.129 4.340 0.001 0.000 0.210 115 L C 2.794 179.634 176.870 -0.050 0.000 1.076 115 L CA 1.805 56.613 54.840 -0.053 0.000 0.749 115 L CB -0.521 41.499 42.059 -0.065 0.000 0.893 115 L HN 0.287 nan 8.230 nan 0.000 0.432 116 R N -0.702 119.764 120.500 -0.056 0.000 2.148 116 R HA -0.129 4.211 4.340 0.001 0.000 0.227 116 R C 2.179 178.463 176.300 -0.025 0.000 1.103 116 R CA 0.735 56.805 56.100 -0.050 0.000 0.983 116 R CB -0.181 30.085 30.300 -0.055 0.000 0.874 116 R HN 0.313 nan 8.270 nan 0.000 0.451 117 R N 0.254 120.742 120.500 -0.020 0.000 2.307 117 R HA -0.023 4.317 4.340 0.001 0.000 0.199 117 R C 1.691 177.984 176.300 -0.012 0.000 1.000 117 R CA 0.351 56.445 56.100 -0.010 0.000 1.023 117 R CB 0.115 30.411 30.300 -0.007 0.000 0.908 117 R HN 0.102 nan 8.270 nan 0.000 0.473 118 L N 0.172 121.384 121.223 -0.019 0.000 2.185 118 L HA 0.077 4.417 4.340 0.001 0.000 0.198 118 L C 1.799 178.660 176.870 -0.015 0.000 1.079 118 L CA 1.261 56.091 54.840 -0.017 0.000 0.780 118 L CB -0.176 41.870 42.059 -0.022 0.000 0.955 118 L HN -0.000 nan 8.230 nan 0.000 0.462 119 I N -0.181 120.377 120.570 -0.021 0.000 2.185 119 I HA -0.384 3.786 4.170 0.001 0.000 0.246 119 I C 2.716 178.827 176.117 -0.011 0.000 1.088 119 I CA 1.741 63.030 61.300 -0.019 0.000 1.347 119 I CB -0.411 37.572 38.000 -0.030 0.000 1.041 119 I HN 0.329 nan 8.210 nan 0.000 0.415 120 R N 0.899 121.393 120.500 -0.009 0.000 2.075 120 R HA -0.182 4.158 4.340 0.001 0.000 0.230 120 R C 2.419 178.721 176.300 0.003 0.000 1.140 120 R CA 2.563 58.663 56.100 -0.001 0.000 0.928 120 R CB -0.510 29.791 30.300 0.003 0.000 0.834 120 R HN 0.461 nan 8.270 nan 0.000 0.429 121 T N -1.538 113.018 114.554 0.002 0.000 2.977 121 T HA 0.014 4.364 4.350 0.001 0.000 0.271 121 T C 1.743 176.447 174.700 0.006 0.000 1.105 121 T CA 0.906 63.008 62.100 0.005 0.000 1.116 121 T CB -0.112 68.757 68.868 0.002 0.000 0.878 121 T HN 0.386 nan 8.240 nan 0.000 0.509 122 A N 2.029 124.851 122.820 0.004 0.000 1.871 122 A HA 0.096 4.417 4.320 0.001 0.000 0.211 122 A C 2.605 180.198 177.584 0.015 0.000 1.207 122 A CA 1.411 53.453 52.037 0.007 0.000 0.620 122 A CB -1.207 17.794 19.000 0.002 0.000 0.860 122 A HN 0.466 nan 8.150 nan 0.000 0.450 123 T N 0.218 114.779 114.554 0.011 0.000 2.699 123 T HA -0.208 4.143 4.350 0.001 0.000 0.268 123 T C 2.188 176.902 174.700 0.023 0.000 1.036 123 T CA 1.861 63.970 62.100 0.015 0.000 1.147 123 T CB -0.524 68.347 68.868 0.005 0.000 0.862 123 T HN 0.516 nan 8.240 nan 0.000 0.446 124 S N 0.832 116.543 115.700 0.019 0.000 2.365 124 S HA -0.131 4.339 4.470 0.001 0.000 0.225 124 S C 2.026 176.647 174.600 0.036 0.000 1.039 124 S CA 1.235 59.449 58.200 0.024 0.000 1.033 124 S CB -0.572 62.639 63.200 0.018 0.000 0.887 124 S HN 0.505 nan 8.310 nan 0.000 0.447 125 I N 1.453 122.043 120.570 0.033 0.000 2.179 125 I HA -0.185 3.985 4.170 0.001 0.000 0.242 125 I C 2.882 179.037 176.117 0.063 0.000 1.088 125 I CA 1.150 62.471 61.300 0.037 0.000 1.357 125 I CB -0.810 37.203 38.000 0.023 0.000 1.051 125 I HN 0.435 nan 8.210 nan 0.000 0.409 126 A N 0.333 123.200 122.820 0.079 0.000 1.859 126 A HA -0.340 3.980 4.320 0.001 0.000 0.217 126 A C 2.217 179.944 177.584 0.239 0.000 1.198 126 A CA 2.235 54.361 52.037 0.148 0.000 0.629 126 A CB -0.861 18.215 19.000 0.126 0.000 0.830 126 A HN 0.421 nan 8.150 nan 0.000 0.446 127 Q N 0.320 120.201 119.800 0.137 0.000 2.082 127 Q HA -0.262 4.079 4.340 0.001 0.000 0.211 127 Q C 1.420 177.526 176.000 0.177 0.000 1.002 127 Q CA 2.700 58.568 55.803 0.109 0.000 0.868 127 Q CB -0.896 27.865 28.738 0.039 0.000 0.931 127 Q HN 0.697 nan 8.270 nan 0.000 0.414 128 D N -1.304 119.169 120.400 0.122 0.000 2.218 128 D HA -0.060 4.581 4.640 0.001 0.000 0.204 128 D C 1.483 177.842 176.300 0.099 0.000 0.976 128 D CA 1.317 55.373 54.000 0.093 0.000 0.853 128 D CB -0.509 40.321 40.800 0.050 0.000 0.939 128 D HN 0.529 nan 8.370 nan 0.000 0.481 129 G N -0.991 107.873 108.800 0.106 0.000 2.564 129 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 129 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 129 G C 0.558 175.331 174.900 -0.213 0.000 1.124 129 G CA 0.718 45.776 45.100 -0.070 0.000 0.764 129 G HN 0.331 nan 8.290 nan 0.000 0.550 130 Y N -0.474 119.825 120.300 -0.000 0.000 2.467 130 Y HA 0.117 4.668 4.550 0.000 0.000 0.259 130 Y C 2.825 178.725 175.900 0.000 0.000 1.084 130 Y CA 0.431 58.531 58.100 -0.000 0.000 1.275 130 Y CB -0.319 38.141 38.460 -0.000 0.000 1.208 130 Y HN 0.194 nan 8.280 nan 0.000 0.511 131 T N -1.001 113.647 114.554 0.157 0.000 2.770 131 T HA 0.058 4.409 4.350 0.001 0.000 0.258 131 T C 1.101 175.831 174.700 0.050 0.000 1.039 131 T CA 0.371 62.522 62.100 0.085 0.000 1.143 131 T CB -0.211 68.696 68.868 0.064 0.000 0.866 131 T HN -0.002 nan 8.240 nan 0.000 0.428 132 R N 0.975 121.497 120.500 0.037 0.000 2.583 132 R HA 0.571 4.911 4.340 0.001 0.000 0.268 132 R C 0.525 176.824 176.300 -0.001 0.000 1.101 132 R CA -0.070 56.039 56.100 0.014 0.000 1.180 132 R CB 0.377 30.682 30.300 0.008 0.000 1.128 132 R HN 0.463 nan 8.270 nan 0.000 0.568 133 E N -0.936 119.260 120.200 -0.007 0.000 1.624 133 E HA -0.066 4.284 4.350 0.001 0.000 0.181 133 E C -0.843 175.750 176.600 -0.012 0.000 0.783 133 E CA 0.080 56.470 56.400 -0.017 0.000 1.147 133 E CB 0.204 29.892 29.700 -0.019 0.000 3.415 133 E HN 0.723 nan 8.360 nan 0.000 0.588 134 D N -0.832 119.564 120.400 -0.006 0.000 2.933 134 D HA -0.170 4.471 4.640 0.001 0.000 0.231 134 D C 1.032 177.331 176.300 -0.003 0.000 1.041 134 D CA 2.314 56.313 54.000 -0.002 0.000 1.975 134 D CB -0.638 40.163 40.800 0.002 0.000 1.303 134 D HN 0.262 nan 8.370 nan 0.000 0.595 135 E N -1.108 119.088 120.200 -0.006 0.000 3.701 135 E HA 0.276 4.627 4.350 0.001 0.000 0.206 135 E C 1.383 177.978 176.600 -0.008 0.000 1.229 135 E CA 0.279 56.676 56.400 -0.005 0.000 1.573 135 E CB 1.299 30.998 29.700 -0.002 0.000 1.449 135 E HN 0.167 nan 8.360 nan 0.000 0.618 136 I N 0.978 121.540 120.570 -0.013 0.000 4.848 136 I HA -0.495 3.676 4.170 0.001 0.000 0.040 136 I C 1.164 177.275 176.117 -0.010 0.000 0.633 136 I CA 2.346 63.637 61.300 -0.015 0.000 0.429 136 I CB -2.186 35.804 38.000 -0.016 0.000 0.454 136 I HN 0.211 nan 8.210 nan 0.000 0.152 137 D N 1.636 122.032 120.400 -0.008 0.000 2.265 137 D HA -0.033 4.608 4.640 0.001 0.000 0.208 137 D C 2.177 178.475 176.300 -0.003 0.000 0.977 137 D CA 1.574 55.571 54.000 -0.005 0.000 0.871 137 D CB -0.163 40.635 40.800 -0.003 0.000 0.925 137 D HN 0.489 nan 8.370 nan 0.000 0.485 138 V N 0.534 120.447 119.914 -0.003 0.000 2.446 138 V HA -0.086 4.034 4.120 0.001 0.000 0.244 138 V C 2.575 178.669 176.094 -0.002 0.000 1.039 138 V CA 0.619 62.918 62.300 -0.001 0.000 1.045 138 V CB -0.250 31.573 31.823 0.000 0.000 0.681 138 V HN 0.158 nan 8.190 nan 0.000 0.459 139 L N -0.642 120.578 121.223 -0.004 0.000 2.083 139 L HA -0.149 4.191 4.340 0.001 0.000 0.209 139 L C 2.291 179.158 176.870 -0.005 0.000 1.083 139 L CA 1.507 56.344 54.840 -0.004 0.000 0.752 139 L CB -0.179 41.875 42.059 -0.009 0.000 0.899 139 L HN 0.314 nan 8.230 nan 0.000 0.433 140 L N -0.941 120.278 121.223 -0.007 0.000 2.376 140 L HA -0.167 4.173 4.340 0.001 0.000 0.219 140 L C 1.759 178.627 176.870 -0.004 0.000 1.133 140 L CA 0.560 55.396 54.840 -0.006 0.000 0.816 140 L CB -0.218 41.837 42.059 -0.008 0.000 0.933 140 L HN 0.285 nan 8.230 nan 0.000 0.449 141 D N 0.105 120.504 120.400 -0.003 0.000 2.121 141 D HA -0.193 4.447 4.640 0.001 0.000 0.209 141 D C 1.774 178.073 176.300 -0.001 0.000 0.981 141 D CA 1.302 55.301 54.000 -0.001 0.000 0.875 141 D CB -0.120 40.679 40.800 -0.001 0.000 1.016 141 D HN 0.368 nan 8.370 nan 0.000 0.452 142 E N 0.560 120.760 120.200 0.000 0.000 2.510 142 E HA -0.045 4.305 4.350 0.001 0.000 0.202 142 E C 1.442 178.043 176.600 0.002 0.000 1.072 142 E CA 0.750 57.151 56.400 0.002 0.000 0.883 142 E CB 0.012 29.715 29.700 0.004 0.000 0.818 142 E HN 0.180 nan 8.360 nan 0.000 0.548 143 A N 1.695 124.515 122.820 0.001 0.000 1.898 143 A HA -0.133 4.188 4.320 0.001 0.000 0.214 143 A C 1.612 179.196 177.584 -0.000 0.000 1.183 143 A CA 1.316 53.354 52.037 0.001 0.000 0.622 143 A CB -0.145 18.855 19.000 -0.001 0.000 0.824 143 A HN 0.244 nan 8.150 nan 0.000 0.444 144 D N -0.283 120.116 120.400 -0.001 0.000 2.077 144 D HA -0.149 4.492 4.640 0.001 0.000 0.196 144 D C 2.014 178.313 176.300 -0.002 0.000 0.986 144 D CA 1.201 55.200 54.000 -0.002 0.000 0.829 144 D CB -0.592 40.206 40.800 -0.003 0.000 0.983 144 D HN 0.395 nan 8.370 nan 0.000 0.453 145 R N 1.124 121.623 120.500 -0.002 0.000 2.162 145 R HA -0.239 4.102 4.340 0.001 0.000 0.245 145 R C 1.967 178.267 176.300 -0.001 0.000 1.129 145 R CA 1.862 57.961 56.100 -0.002 0.000 0.940 145 R CB -0.072 30.228 30.300 -0.000 0.000 0.875 145 R HN 0.139 nan 8.270 nan 0.000 0.437 146 K N -0.205 120.196 120.400 0.001 0.000 2.057 146 K HA -0.089 4.232 4.320 0.001 0.000 0.206 146 K C 2.101 178.701 176.600 0.000 0.000 1.050 146 K CA 0.952 57.240 56.287 0.002 0.000 0.935 146 K CB -0.110 32.393 32.500 0.004 0.000 0.715 146 K HN 0.288 nan 8.250 nan 0.000 0.439 147 I N 1.185 121.755 120.570 -0.001 0.000 2.830 147 I HA -0.115 4.055 4.170 0.001 0.000 0.263 147 I C 1.586 177.700 176.117 -0.005 0.000 1.230 147 I CA 0.859 62.157 61.300 -0.003 0.000 1.480 147 I CB -0.270 37.729 38.000 -0.003 0.000 1.095 147 I HN 0.211 nan 8.210 nan 0.000 0.455 148 M N 0.511 120.108 119.600 -0.005 0.000 2.696 148 M HA 0.045 4.525 4.480 0.001 0.000 0.220 148 M C -0.043 176.253 176.300 -0.006 0.000 1.133 148 M CA 0.660 55.956 55.300 -0.006 0.000 1.016 148 M CB -0.669 31.927 32.600 -0.006 0.000 1.740 148 M HN 0.124 nan 8.290 nan 0.000 0.502 184 T N 2.703 117.253 114.554 -0.007 0.000 3.023 184 T HA 0.153 4.504 4.350 0.001 0.000 0.266 184 T C 1.022 175.725 174.700 0.006 0.000 1.093 184 T CA 1.639 63.740 62.100 0.001 0.000 1.129 184 T CB 0.147 69.019 68.868 0.006 0.000 0.899 184 T HN 0.756 nan 8.240 nan 0.000 0.491 185 G N 0.781 109.584 108.800 0.006 0.000 2.945 185 G HA2 0.528 4.488 3.960 0.001 0.000 0.156 185 G HA3 0.528 4.488 3.960 0.001 0.000 0.156 185 G C -0.473 174.436 174.900 0.015 0.000 1.375 185 G CA -0.709 44.404 45.100 0.022 0.000 1.039 185 G HN 0.347 nan 8.290 nan 0.000 0.586 186 I N 2.681 123.273 120.570 0.036 0.000 2.325 186 I HA 0.247 4.418 4.170 0.001 0.000 0.291 186 I C -2.071 174.027 176.117 -0.032 0.000 1.019 186 I CA -1.753 59.561 61.300 0.024 0.000 1.302 186 I CB 1.165 39.208 38.000 0.072 0.000 1.401 186 I HN 0.180 nan 8.210 nan 0.000 0.485 187 P HA 0.142 nan 4.420 nan 0.000 0.271 187 P C 0.330 177.546 177.300 -0.140 0.000 1.220 187 P CA -0.065 62.972 63.100 -0.105 0.000 0.768 187 P CB 0.928 32.579 31.700 -0.082 0.000 0.848 188 T N 1.062 115.490 114.554 -0.211 0.000 3.065 188 T HA 0.186 4.536 4.350 0.001 0.000 0.252 188 T C 1.453 175.948 174.700 -0.341 0.000 1.099 188 T CA 0.814 62.778 62.100 -0.227 0.000 1.063 188 T CB -0.295 68.409 68.868 -0.274 0.000 0.948 188 T HN 0.694 nan 8.240 nan 0.000 0.506 189 G N 1.612 110.223 108.800 -0.315 0.000 2.268 189 G HA2 -0.235 3.726 3.960 0.001 0.000 0.240 189 G HA3 -0.235 3.726 3.960 0.001 0.000 0.240 189 G C 0.115 174.737 174.900 -0.462 0.000 1.010 189 G CA -0.434 44.410 45.100 -0.427 0.000 0.618 189 G HN 0.561 nan 8.290 nan 0.000 0.516 190 F N 2.889 122.824 119.950 -0.025 0.000 2.334 190 F HA 0.385 4.913 4.527 0.001 0.000 0.365 190 F C 2.059 177.851 175.800 -0.013 0.000 1.124 190 F CA 0.125 58.131 58.000 0.010 0.000 1.166 190 F CB 0.863 39.894 39.000 0.052 0.000 1.355 190 F HN 0.136 nan 8.300 nan 0.000 0.532 191 T N -1.872 112.754 114.554 0.120 0.000 2.680 191 T HA -0.326 4.024 4.350 0.001 0.000 0.268 191 T C 1.601 176.337 174.700 0.061 0.000 1.033 191 T CA 1.990 64.124 62.100 0.057 0.000 1.152 191 T CB -0.223 68.673 68.868 0.047 0.000 0.859 191 T HN 0.619 nan 8.240 nan 0.000 0.452 192 E N -0.019 120.239 120.200 0.096 0.000 2.158 192 E HA 0.060 4.410 4.350 0.001 0.000 0.191 192 E C 2.007 178.641 176.600 0.056 0.000 0.982 192 E CA 0.281 56.721 56.400 0.068 0.000 0.823 192 E CB -0.121 29.622 29.700 0.071 0.000 0.766 192 E HN 0.357 nan 8.360 nan 0.000 0.468 193 L N 1.496 122.769 121.223 0.083 0.000 1.994 193 L HA -0.184 4.156 4.340 0.001 0.000 0.208 193 L C 1.382 178.235 176.870 -0.028 0.000 1.071 193 L CA 1.971 56.839 54.840 0.047 0.000 0.745 193 L CB -0.416 41.703 42.059 0.100 0.000 0.892 193 L HN 0.046 nan 8.230 nan 0.000 0.431 194 D N -0.615 119.757 120.400 -0.047 0.000 2.133 194 D HA -0.226 4.415 4.640 0.001 0.000 0.195 194 D C 2.299 178.571 176.300 -0.045 0.000 0.997 194 D CA 1.140 55.087 54.000 -0.087 0.000 0.840 194 D CB -0.248 40.505 40.800 -0.077 0.000 0.947 194 D HN 0.290 nan 8.370 nan 0.000 0.452 195 R N -0.364 120.127 120.500 -0.015 0.000 2.113 195 R HA -0.127 4.213 4.340 0.001 0.000 0.244 195 R C 2.310 178.609 176.300 -0.002 0.000 1.142 195 R CA 1.351 57.449 56.100 -0.003 0.000 0.953 195 R CB -0.165 30.141 30.300 0.009 0.000 0.860 195 R HN 0.267 nan 8.270 nan 0.000 0.438 196 M N -1.225 118.375 119.600 0.001 0.000 2.248 196 M HA -0.086 4.394 4.480 0.001 0.000 0.265 196 M C 2.229 178.535 176.300 0.011 0.000 1.079 196 M CA 1.867 57.173 55.300 0.010 0.000 1.150 196 M CB 0.069 32.682 32.600 0.021 0.000 1.366 196 M HN 0.279 nan 8.290 nan 0.000 0.433 197 T N -3.979 110.572 114.554 -0.006 0.000 3.010 197 T HA 0.134 4.484 4.350 0.001 0.000 0.252 197 T C 1.004 175.701 174.700 -0.005 0.000 1.047 197 T CA 0.676 62.781 62.100 0.010 0.000 1.140 197 T CB 0.087 68.952 68.868 -0.006 0.000 0.885 197 T HN 0.309 nan 8.240 nan 0.000 0.464 198 S N 0.294 115.967 115.700 -0.044 0.000 3.576 198 S HA -0.092 4.378 4.470 0.001 0.000 0.294 198 S C 0.889 175.468 174.600 -0.034 0.000 1.224 198 S CA 0.413 58.593 58.200 -0.033 0.000 0.866 198 S CB -1.688 61.508 63.200 -0.007 0.000 1.017 198 S HN 1.069 nan 8.310 nan 0.000 0.597 199 G N 0.026 108.786 108.800 -0.067 0.000 2.968 199 G HA2 0.592 4.552 3.960 0.001 0.000 0.206 199 G HA3 0.592 4.552 3.960 0.001 0.000 0.206 199 G C -0.327 174.538 174.900 -0.059 0.000 2.051 199 G CA -0.416 44.577 45.100 -0.179 0.000 0.773 199 G HN 0.257 nan 8.290 nan 0.000 0.741 200 F N 2.365 122.325 119.950 0.016 0.000 2.471 200 F HA 0.444 4.972 4.527 0.001 0.000 0.365 200 F C 0.843 176.647 175.800 0.007 0.000 1.095 200 F CA -0.712 57.295 58.000 0.012 0.000 1.174 200 F CB 0.654 39.660 39.000 0.010 0.000 1.105 200 F HN 0.149 nan 8.300 nan 0.000 0.535 201 Q N 2.700 122.620 119.800 0.199 0.000 2.248 201 Q HA 0.484 4.824 4.340 0.001 0.000 0.263 201 Q C -0.147 175.897 176.000 0.074 0.000 1.007 201 Q CA -1.220 54.646 55.803 0.104 0.000 0.877 201 Q CB 2.023 30.806 28.738 0.075 0.000 1.315 201 Q HN 0.510 nan 8.270 nan 0.000 0.454 202 R N 0.441 120.971 120.500 0.051 0.000 2.570 202 R HA 0.017 4.357 4.340 0.001 0.000 0.277 202 R C 0.154 176.469 176.300 0.025 0.000 1.039 202 R CA 0.508 56.629 56.100 0.035 0.000 1.065 202 R CB 0.219 30.535 30.300 0.026 0.000 0.964 202 R HN 0.818 nan 8.270 nan 0.000 0.428 203 S N -0.125 115.584 115.700 0.016 0.000 3.018 203 S HA -0.132 4.339 4.470 0.001 0.000 0.274 203 S C -0.612 173.989 174.600 0.002 0.000 1.300 203 S CA 1.279 59.483 58.200 0.007 0.000 1.179 203 S CB -0.843 62.361 63.200 0.007 0.000 1.427 203 S HN 0.730 nan 8.310 nan 0.000 0.668 204 D N 1.134 121.536 120.400 0.003 0.000 2.232 204 D HA 0.501 5.141 4.640 0.001 0.000 0.242 204 D C -0.249 176.029 176.300 -0.035 0.000 1.093 204 D CA -0.418 53.578 54.000 -0.007 0.000 0.845 204 D CB 0.971 41.779 40.800 0.013 0.000 1.124 204 D HN 0.199 nan 8.370 nan 0.000 0.467 205 L N 4.587 125.786 121.223 -0.040 0.000 2.342 205 L HA 0.344 4.684 4.340 0.001 0.000 0.285 205 L C -0.852 175.967 176.870 -0.085 0.000 1.095 205 L CA -0.004 54.800 54.840 -0.059 0.000 0.843 205 L CB -0.202 41.830 42.059 -0.045 0.000 1.201 205 L HN 0.292 nan 8.230 nan 0.000 0.445 206 I N 6.128 126.613 120.570 -0.141 0.000 2.353 206 I HA 0.347 4.517 4.170 0.001 0.000 0.293 206 I C -0.191 175.834 176.117 -0.154 0.000 0.992 206 I CA -0.190 60.995 61.300 -0.193 0.000 1.268 206 I CB 1.290 39.041 38.000 -0.415 0.000 1.387 206 I HN 0.477 nan 8.210 nan 0.000 0.478 207 I N 6.526 127.021 120.570 -0.125 0.000 2.418 207 I HA 0.313 4.483 4.170 0.001 0.000 0.287 207 I C -0.834 175.227 176.117 -0.094 0.000 1.008 207 I CA -0.613 60.633 61.300 -0.091 0.000 1.104 207 I CB 1.811 39.766 38.000 -0.076 0.000 1.264 207 I HN 0.199 nan 8.210 nan 0.000 0.438 208 V N 6.469 126.367 119.914 -0.027 0.000 2.313 208 V HA 0.657 4.778 4.120 0.001 0.000 0.278 208 V C 0.269 176.393 176.094 0.050 0.000 1.017 208 V CA -0.527 61.784 62.300 0.019 0.000 0.823 208 V CB 1.126 33.036 31.823 0.145 0.000 1.010 208 V HN 0.758 nan 8.190 nan 0.000 0.443 209 A N 4.154 127.015 122.820 0.069 0.000 2.324 209 A HA 1.017 5.337 4.320 0.001 0.000 0.330 209 A C -0.020 177.681 177.584 0.195 0.000 1.165 209 A CA -0.108 52.036 52.037 0.178 0.000 0.813 209 A CB 1.528 20.732 19.000 0.339 0.000 1.197 209 A HN 1.559 nan 8.150 nan 0.000 0.484 210 A N 2.001 124.881 122.820 0.101 0.000 2.594 210 A HA 0.658 4.978 4.320 0.001 0.000 0.296 210 A C -0.363 177.215 177.584 -0.009 0.000 1.061 210 A CA -0.777 51.287 52.037 0.045 0.000 0.689 210 A CB 0.876 19.881 19.000 0.008 0.000 1.280 210 A HN 0.864 nan 8.150 nan 0.000 0.406 211 R N 0.949 121.435 120.500 -0.022 0.000 2.694 211 R HA 0.351 4.692 4.340 0.001 0.000 0.268 211 R C -2.371 173.890 176.300 -0.065 0.000 1.061 211 R CA -1.140 54.933 56.100 -0.045 0.000 1.133 211 R CB -0.010 30.269 30.300 -0.036 0.000 1.020 211 R HN 0.423 nan 8.270 nan 0.000 0.475 212 P HA -0.040 nan 4.420 nan 0.000 0.265 212 P C -0.214 177.047 177.300 -0.065 0.000 1.187 212 P CA 0.613 63.662 63.100 -0.085 0.000 0.766 212 P CB 0.773 32.426 31.700 -0.078 0.000 0.820 213 S N -0.485 115.179 115.700 -0.060 0.000 2.427 213 S HA -0.166 4.304 4.470 0.001 0.000 0.253 213 S C 1.213 175.754 174.600 -0.098 0.000 1.246 213 S CA 1.056 59.221 58.200 -0.059 0.000 1.421 213 S CB -1.762 61.409 63.200 -0.049 0.000 1.769 213 S HN 0.315 nan 8.310 nan 0.000 0.620 214 V N 0.372 120.224 119.914 -0.102 0.000 2.427 214 V HA 0.200 4.321 4.120 0.001 0.000 0.248 214 V C 1.893 177.867 176.094 -0.201 0.000 1.051 214 V CA 2.013 64.228 62.300 -0.142 0.000 1.048 214 V CB -0.505 31.259 31.823 -0.098 0.000 0.666 214 V HN 1.367 nan 8.190 nan 0.000 0.456 215 G N 0.212 108.947 108.800 -0.109 0.000 2.189 215 G HA2 -0.153 3.807 3.960 0.001 0.000 0.113 215 G HA3 -0.153 3.807 3.960 0.001 0.000 0.113 215 G C 0.678 175.674 174.900 0.161 0.000 1.038 215 G CA 0.297 45.370 45.100 -0.046 0.000 0.704 215 G HN 0.494 nan 8.290 nan 0.000 0.490 216 K N -0.723 119.738 120.400 0.101 0.000 2.057 216 K HA -0.095 4.225 4.320 0.001 0.000 0.207 216 K C 2.066 178.810 176.600 0.240 0.000 1.049 216 K CA 1.913 58.295 56.287 0.159 0.000 0.931 216 K CB -0.664 31.891 32.500 0.091 0.000 0.714 216 K HN 0.187 nan 8.250 nan 0.000 0.440 217 T N 1.675 116.344 114.554 0.192 0.000 2.652 217 T HA -0.152 4.198 4.350 0.001 0.000 0.267 217 T C 2.246 177.098 174.700 0.254 0.000 1.039 217 T CA 1.753 63.971 62.100 0.197 0.000 1.153 217 T CB -0.472 68.493 68.868 0.162 0.000 0.863 217 T HN 0.493 nan 8.240 nan 0.000 0.428 218 A N 0.943 123.965 122.820 0.337 0.000 1.940 218 A HA -0.049 4.271 4.320 0.001 0.000 0.219 218 A C 2.032 179.985 177.584 0.614 0.000 1.176 218 A CA 1.438 53.760 52.037 0.475 0.000 0.631 218 A CB -0.954 18.404 19.000 0.597 0.000 0.814 218 A HN 0.480 nan 8.150 nan 0.000 0.446 219 F N 0.871 121.057 119.950 0.394 0.000 2.186 219 F HA 0.025 4.553 4.527 0.001 0.000 0.299 219 F C 2.449 178.308 175.800 0.098 0.000 1.090 219 F CA 0.914 58.911 58.000 -0.004 0.000 1.307 219 F CB -0.477 38.288 39.000 -0.392 0.000 1.019 219 F HN 0.240 nan 8.300 nan 0.000 0.489 220 A N 0.736 123.589 122.820 0.056 0.000 1.873 220 A HA -0.100 4.220 4.320 0.001 0.000 0.215 220 A C 2.325 179.918 177.584 0.016 0.000 1.186 220 A CA 1.678 53.698 52.037 -0.028 0.000 0.616 220 A CB -1.170 17.876 19.000 0.076 0.000 0.823 220 A HN 0.462 nan 8.150 nan 0.000 0.442 221 L N -0.237 121.049 121.223 0.106 0.000 2.012 221 L HA -0.253 4.088 4.340 0.001 0.000 0.210 221 L C 2.421 179.359 176.870 0.112 0.000 1.073 221 L CA 1.749 56.655 54.840 0.111 0.000 0.748 221 L CB -0.814 41.332 42.059 0.145 0.000 0.891 221 L HN 0.523 nan 8.230 nan 0.000 0.431 222 N N 0.188 119.000 118.700 0.187 0.000 2.104 222 N HA -0.193 4.547 4.740 0.001 0.000 0.190 222 N C 1.942 177.513 175.510 0.101 0.000 1.024 222 N CA 1.274 54.462 53.050 0.229 0.000 0.853 222 N CB -0.121 38.684 38.487 0.529 0.000 1.008 222 N HN 0.288 nan 8.380 nan 0.000 0.424 223 I N 1.454 122.057 120.570 0.055 0.000 2.142 223 I HA -0.259 3.912 4.170 0.001 0.000 0.240 223 I C 2.614 178.732 176.117 0.001 0.000 1.078 223 I CA 0.988 62.290 61.300 0.004 0.000 1.343 223 I CB -0.455 37.531 38.000 -0.024 0.000 1.046 223 I HN 0.113 nan 8.210 nan 0.000 0.405 224 A N -0.109 122.719 122.820 0.013 0.000 1.917 224 A HA -0.314 4.007 4.320 0.001 0.000 0.219 224 A C 2.315 179.900 177.584 0.002 0.000 1.182 224 A CA 2.077 54.124 52.037 0.017 0.000 0.633 224 A CB -0.752 18.262 19.000 0.023 0.000 0.819 224 A HN 0.534 nan 8.150 nan 0.000 0.448 225 Q N -0.557 119.244 119.800 0.001 0.000 2.020 225 Q HA -0.184 4.157 4.340 0.001 0.000 0.198 225 Q C 2.008 177.983 176.000 -0.041 0.000 0.974 225 Q CA 1.641 57.435 55.803 -0.014 0.000 0.829 225 Q CB -0.211 28.530 28.738 0.005 0.000 0.894 225 Q HN 0.832 nan 8.270 nan 0.000 0.433 226 N N -0.702 117.955 118.700 -0.071 0.000 2.060 226 N HA -0.218 4.523 4.740 0.001 0.000 0.195 226 N C 1.763 177.220 175.510 -0.089 0.000 1.028 226 N CA 1.678 54.655 53.050 -0.122 0.000 0.861 226 N CB -0.048 38.292 38.487 -0.244 0.000 1.029 226 N HN 0.036 nan 8.380 nan 0.000 0.428 227 V N 0.949 120.828 119.914 -0.059 0.000 2.295 227 V HA -0.217 3.904 4.120 0.001 0.000 0.246 227 V C 2.303 178.384 176.094 -0.022 0.000 1.049 227 V CA 1.959 64.241 62.300 -0.031 0.000 1.024 227 V CB -0.894 30.931 31.823 0.005 0.000 0.648 227 V HN 0.393 nan 8.190 nan 0.000 0.447 228 A N 0.662 123.470 122.820 -0.020 0.000 1.902 228 A HA -0.215 4.105 4.320 0.001 0.000 0.217 228 A C 2.481 180.046 177.584 -0.031 0.000 1.181 228 A CA 2.632 54.657 52.037 -0.020 0.000 0.623 228 A CB -0.887 18.096 19.000 -0.028 0.000 0.818 228 A HN 0.642 nan 8.150 nan 0.000 0.443 229 T N -2.486 112.043 114.554 -0.041 0.000 2.894 229 T HA 0.032 4.383 4.350 0.001 0.000 0.258 229 T C 1.884 176.558 174.700 -0.043 0.000 1.043 229 T CA 1.283 63.357 62.100 -0.044 0.000 1.141 229 T CB -0.157 68.681 68.868 -0.050 0.000 0.873 229 T HN 0.450 nan 8.240 nan 0.000 0.449 230 K N 0.556 120.925 120.400 -0.051 0.000 2.044 230 K HA 0.139 4.459 4.320 0.001 0.000 0.204 230 K C 1.443 178.020 176.600 -0.039 0.000 1.049 230 K CA 0.778 57.034 56.287 -0.051 0.000 0.945 230 K CB -0.141 32.317 32.500 -0.070 0.000 0.724 230 K HN 0.269 nan 8.250 nan 0.000 0.440 231 T N -0.062 114.471 114.554 -0.035 0.000 2.912 231 T HA 0.102 4.452 4.350 0.001 0.000 0.280 231 T C 0.511 175.203 174.700 -0.013 0.000 0.989 231 T CA -0.595 61.492 62.100 -0.023 0.000 0.995 231 T CB 1.037 69.894 68.868 -0.020 0.000 1.077 231 T HN -0.032 nan 8.240 nan 0.000 0.531 232 N N 1.188 119.884 118.700 -0.006 0.000 2.449 232 N HA 0.084 4.824 4.740 0.001 0.000 0.191 232 N C -0.030 175.489 175.510 0.014 0.000 1.161 232 N CA 0.097 53.148 53.050 0.002 0.000 0.863 232 N CB 0.004 38.492 38.487 0.001 0.000 0.980 232 N HN 0.522 nan 8.380 nan 0.000 0.458 233 E N -0.122 120.087 120.200 0.016 0.000 2.319 233 E HA 0.264 4.615 4.350 0.001 0.000 0.268 233 E C -0.618 176.011 176.600 0.048 0.000 1.050 233 E CA -0.513 55.904 56.400 0.029 0.000 0.878 233 E CB 0.511 30.226 29.700 0.025 0.000 1.066 233 E HN 0.119 nan 8.360 nan 0.000 0.406 234 N N 0.801 119.543 118.700 0.070 0.000 2.509 234 N HA 0.340 5.080 4.740 0.001 0.000 0.287 234 N C -1.277 174.298 175.510 0.108 0.000 1.121 234 N CA -0.367 52.761 53.050 0.129 0.000 0.977 234 N CB 1.560 40.160 38.487 0.187 0.000 1.167 234 N HN 0.089 nan 8.380 nan 0.000 0.476 235 V N 0.621 120.616 119.914 0.135 0.000 2.531 235 V HA 0.640 4.760 4.120 0.001 0.000 0.301 235 V C -0.239 175.921 176.094 0.109 0.000 1.034 235 V CA -1.067 61.287 62.300 0.090 0.000 0.865 235 V CB 1.502 33.357 31.823 0.053 0.000 0.995 235 V HN 0.769 nan 8.190 nan 0.000 0.424 236 A N 6.425 129.279 122.820 0.056 0.000 2.260 236 A HA 0.859 5.180 4.320 0.001 0.000 0.314 236 A C -0.587 176.951 177.584 -0.077 0.000 1.257 236 A CA -0.372 51.648 52.037 -0.029 0.000 0.871 236 A CB 0.246 19.206 19.000 -0.068 0.000 1.166 236 A HN 0.778 nan 8.150 nan 0.000 0.522 237 I N 1.969 122.439 120.570 -0.166 0.000 2.404 237 I HA 0.385 4.556 4.170 0.001 0.000 0.293 237 I C -1.201 174.755 176.117 -0.268 0.000 0.992 237 I CA -0.285 60.954 61.300 -0.101 0.000 1.149 237 I CB 1.592 39.573 38.000 -0.032 0.000 1.315 237 I HN 0.550 nan 8.210 nan 0.000 0.446 238 F N 3.998 123.964 119.950 0.028 0.000 2.375 238 F HA 0.316 4.843 4.527 0.001 0.000 0.361 238 F C 0.558 176.370 175.800 0.019 0.000 1.117 238 F CA -0.458 57.553 58.000 0.018 0.000 1.037 238 F CB 1.763 40.765 39.000 0.004 0.000 1.192 238 F HN 0.299 nan 8.300 nan 0.000 0.452 239 S N 5.035 120.825 115.700 0.150 0.000 2.461 239 S HA 0.438 4.908 4.470 0.001 0.000 0.322 239 S C 0.793 175.447 174.600 0.090 0.000 1.063 239 S CA -0.593 57.674 58.200 0.111 0.000 1.120 239 S CB 0.275 63.522 63.200 0.078 0.000 0.968 239 S HN 0.706 nan 8.310 nan 0.000 0.467 240 L N 3.557 124.814 121.223 0.057 0.000 2.446 240 L HA 0.229 4.570 4.340 0.001 0.000 0.219 240 L C 2.208 179.073 176.870 -0.007 0.000 1.116 240 L CA 0.546 55.386 54.840 0.000 0.000 0.844 240 L CB -0.062 41.945 42.059 -0.086 0.000 0.970 240 L HN 0.627 nan 8.230 nan 0.000 0.457 241 E N -0.060 120.161 120.200 0.035 0.000 2.244 241 E HA 0.047 4.398 4.350 0.001 0.000 0.196 241 E C 0.854 177.504 176.600 0.083 0.000 0.939 241 E CA -0.028 56.421 56.400 0.081 0.000 0.884 241 E CB 0.642 30.465 29.700 0.207 0.000 0.850 241 E HN 0.142 nan 8.360 nan 0.000 0.481 242 M N 1.470 121.121 119.600 0.085 0.000 2.364 242 M HA 0.235 4.715 4.480 0.001 0.000 0.334 242 M C -0.213 176.120 176.300 0.055 0.000 1.107 242 M CA -0.563 54.780 55.300 0.073 0.000 0.988 242 M CB 1.553 34.204 32.600 0.084 0.000 1.673 242 M HN 0.022 nan 8.290 nan 0.000 0.441 243 S N 3.428 119.154 115.700 0.043 0.000 2.596 243 S HA 0.371 4.841 4.470 0.001 0.000 0.260 243 S C 0.991 175.607 174.600 0.026 0.000 1.336 243 S CA -0.070 58.150 58.200 0.032 0.000 0.993 243 S CB 1.042 64.257 63.200 0.026 0.000 0.923 243 S HN 0.847 nan 8.310 nan 0.000 0.567 244 A N 0.886 123.715 122.820 0.015 0.000 1.877 244 A HA -0.096 4.224 4.320 0.001 0.000 0.216 244 A C 2.391 179.976 177.584 0.001 0.000 1.186 244 A CA 1.529 53.568 52.037 0.004 0.000 0.620 244 A CB -1.080 17.916 19.000 -0.006 0.000 0.822 244 A HN 0.911 nan 8.150 nan 0.000 0.443 245 Q N -1.029 118.772 119.800 0.002 0.000 2.079 245 Q HA -0.219 4.121 4.340 0.001 0.000 0.200 245 Q C 2.298 178.301 176.000 0.004 0.000 0.974 245 Q CA 1.444 57.246 55.803 -0.002 0.000 0.840 245 Q CB -0.240 28.497 28.738 -0.001 0.000 0.898 245 Q HN 0.813 nan 8.270 nan 0.000 0.430 246 Q N 0.681 120.490 119.800 0.014 0.000 2.234 246 Q HA -0.173 4.168 4.340 0.001 0.000 0.206 246 Q C 2.025 178.042 176.000 0.029 0.000 0.980 246 Q CA 0.852 56.669 55.803 0.023 0.000 0.869 246 Q CB 0.024 28.781 28.738 0.031 0.000 0.912 246 Q HN 0.358 nan 8.270 nan 0.000 0.436 247 L N -0.828 120.411 121.223 0.028 0.000 2.102 247 L HA -0.100 4.241 4.340 0.001 0.000 0.202 247 L C 2.126 179.009 176.870 0.023 0.000 1.076 247 L CA 0.573 55.434 54.840 0.035 0.000 0.761 247 L CB -0.070 42.009 42.059 0.034 0.000 0.921 247 L HN 0.011 nan 8.230 nan 0.000 0.444 248 V N 0.109 120.025 119.914 0.004 0.000 2.407 248 V HA -0.326 3.795 4.120 0.001 0.000 0.248 248 V C 2.637 178.725 176.094 -0.010 0.000 1.055 248 V CA 1.844 64.138 62.300 -0.010 0.000 1.049 248 V CB -0.481 31.326 31.823 -0.026 0.000 0.662 248 V HN 0.427 nan 8.190 nan 0.000 0.455 249 M N -0.618 118.978 119.600 -0.006 0.000 2.144 249 M HA -0.204 4.277 4.480 0.001 0.000 0.260 249 M C 2.317 178.621 176.300 0.007 0.000 1.067 249 M CA 1.861 57.157 55.300 -0.008 0.000 1.095 249 M CB -0.909 31.690 32.600 -0.000 0.000 1.365 249 M HN 0.377 nan 8.290 nan 0.000 0.406 250 R N 0.167 120.682 120.500 0.026 0.000 2.093 250 R HA -0.018 4.322 4.340 0.001 0.000 0.224 250 R C 2.160 178.489 176.300 0.048 0.000 1.101 250 R CA 1.363 57.491 56.100 0.046 0.000 0.979 250 R CB -0.393 29.949 30.300 0.071 0.000 0.877 250 R HN 0.524 nan 8.270 nan 0.000 0.441 251 M N -0.435 119.186 119.600 0.036 0.000 2.419 251 M HA 0.066 4.547 4.480 0.001 0.000 0.264 251 M C 1.825 178.127 176.300 0.003 0.000 1.082 251 M CA 1.389 56.706 55.300 0.029 0.000 1.119 251 M CB -0.258 32.356 32.600 0.023 0.000 1.398 251 M HN -0.020 nan 8.290 nan 0.000 0.453 252 L N 0.421 121.637 121.223 -0.012 0.000 2.056 252 L HA -0.149 4.192 4.340 0.001 0.000 0.207 252 L C 2.598 179.454 176.870 -0.023 0.000 1.078 252 L CA 1.005 55.825 54.840 -0.034 0.000 0.749 252 L CB -0.496 41.529 42.059 -0.056 0.000 0.901 252 L HN 0.532 nan 8.230 nan 0.000 0.433 253 C N -0.546 118.756 119.300 0.004 0.000 2.429 253 C HA -0.129 4.332 4.460 0.001 0.000 0.277 253 C C 3.079 178.103 174.990 0.056 0.000 1.262 253 C CA 0.748 59.791 59.018 0.042 0.000 1.733 253 C CB -1.017 26.756 27.740 0.056 0.000 2.010 253 C HN 0.618 nan 8.230 nan 0.000 0.483 254 A N 0.304 123.150 122.820 0.043 0.000 1.930 254 A HA -0.155 4.165 4.320 0.001 0.000 0.217 254 A C 1.989 179.562 177.584 -0.017 0.000 1.175 254 A CA 2.014 54.073 52.037 0.037 0.000 0.627 254 A CB -0.468 18.573 19.000 0.068 0.000 0.815 254 A HN 0.593 nan 8.150 nan 0.000 0.443 255 E N 0.064 120.249 120.200 -0.025 0.000 2.001 255 E HA -0.015 4.336 4.350 0.001 0.000 0.193 255 E C 1.773 178.325 176.600 -0.079 0.000 0.994 255 E CA 1.650 58.021 56.400 -0.048 0.000 0.815 255 E CB -0.717 28.956 29.700 -0.045 0.000 0.770 255 E HN 0.318 nan 8.360 nan 0.000 0.453 256 G N -0.752 108.001 108.800 -0.079 0.000 3.233 256 G HA2 -0.011 3.950 3.960 0.001 0.000 0.227 256 G HA3 -0.011 3.950 3.960 0.001 0.000 0.227 256 G C -0.331 174.493 174.900 -0.126 0.000 1.175 256 G CA 0.184 45.229 45.100 -0.092 0.000 0.781 256 G HN 0.290 nan 8.290 nan 0.000 0.542 257 N N -0.277 118.307 118.700 -0.193 0.000 2.726 257 N HA -0.138 4.603 4.740 0.001 0.000 0.253 257 N C -0.377 175.120 175.510 -0.022 0.000 1.059 257 N CA 0.737 53.545 53.050 -0.403 0.000 0.701 257 N CB -1.299 36.831 38.487 -0.596 0.000 0.899 257 N HN 0.429 nan 8.380 nan 0.000 0.548 258 I N 0.328 120.989 120.570 0.152 0.000 2.377 258 I HA 0.162 4.332 4.170 0.001 0.000 0.293 258 I C 0.903 177.164 176.117 0.240 0.000 0.987 258 I CA -0.871 60.535 61.300 0.175 0.000 1.185 258 I CB 1.312 39.338 38.000 0.044 0.000 1.341 258 I HN 0.029 nan 8.210 nan 0.000 0.455 259 N N 4.491 123.273 118.700 0.138 0.000 2.411 259 N HA 0.029 4.770 4.740 0.001 0.000 0.265 259 N C 0.833 176.325 175.510 -0.030 0.000 1.266 259 N CA 0.498 53.517 53.050 -0.052 0.000 0.889 259 N CB 1.289 39.730 38.487 -0.075 0.000 1.069 259 N HN 0.763 nan 8.380 nan 0.000 0.476 260 A N 3.830 126.612 122.820 -0.062 0.000 1.898 260 A HA -0.187 4.134 4.320 0.001 0.000 0.216 260 A C 1.893 179.463 177.584 -0.023 0.000 1.181 260 A CA 1.418 53.438 52.037 -0.027 0.000 0.620 260 A CB -0.629 18.353 19.000 -0.029 0.000 0.819 260 A HN 0.861 nan 8.150 nan 0.000 0.442 261 Q N -0.288 119.488 119.800 -0.039 0.000 2.224 261 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 261 Q C 2.022 178.017 176.000 -0.010 0.000 0.970 261 Q CA 1.255 57.044 55.803 -0.023 0.000 0.865 261 Q CB -0.168 28.550 28.738 -0.034 0.000 0.922 261 Q HN 0.742 nan 8.270 nan 0.000 0.445 262 N N 0.518 119.212 118.700 -0.010 0.000 2.120 262 N HA -0.158 4.582 4.740 0.001 0.000 0.188 262 N C 1.763 177.289 175.510 0.026 0.000 1.024 262 N CA 1.102 54.160 53.050 0.012 0.000 0.852 262 N CB -0.185 38.313 38.487 0.018 0.000 1.003 262 N HN 0.309 nan 8.380 nan 0.000 0.424 263 L N 0.686 121.918 121.223 0.015 0.000 2.005 263 L HA -0.078 4.263 4.340 0.001 0.000 0.207 263 L C 2.774 179.655 176.870 0.019 0.000 1.072 263 L CA 0.997 55.844 54.840 0.013 0.000 0.744 263 L CB -0.395 41.658 42.059 -0.010 0.000 0.895 263 L HN 0.137 nan 8.230 nan 0.000 0.433 264 R N -0.500 120.008 120.500 0.012 0.000 2.112 264 R HA -0.171 4.170 4.340 0.001 0.000 0.242 264 R C 2.103 178.416 176.300 0.020 0.000 1.137 264 R CA 2.170 58.279 56.100 0.015 0.000 0.944 264 R CB -0.813 29.493 30.300 0.011 0.000 0.857 264 R HN 0.365 nan 8.270 nan 0.000 0.435 265 T N -0.566 114.000 114.554 0.020 0.000 3.054 265 T HA 0.100 4.450 4.350 0.001 0.000 0.259 265 T C 0.908 175.629 174.700 0.035 0.000 1.092 265 T CA 0.491 62.605 62.100 0.023 0.000 1.121 265 T CB -0.013 68.864 68.868 0.016 0.000 0.912 265 T HN 0.544 nan 8.240 nan 0.000 0.489 266 G N 3.550 112.378 108.800 0.046 0.000 2.580 266 G HA2 -0.253 3.707 3.960 0.001 0.000 0.289 266 G HA3 -0.253 3.707 3.960 0.001 0.000 0.289 266 G C -0.207 174.737 174.900 0.073 0.000 0.118 266 G CA 0.577 45.721 45.100 0.075 0.000 1.158 266 G HN 0.599 nan 8.290 nan 0.000 0.544 267 K N -0.639 119.802 120.400 0.068 0.000 7.076 267 K HA -0.072 4.248 4.320 0.001 0.000 0.574 267 K C -0.051 176.623 176.600 0.123 0.000 2.583 267 K CA 0.658 56.989 56.287 0.073 0.000 2.032 267 K CB -0.386 32.143 32.500 0.050 0.000 2.232 267 K HN 1.387 nan 8.250 nan 0.000 0.189 268 L N 0.420 121.717 121.223 0.123 0.000 5.572 268 L HA -0.053 4.288 4.340 0.001 0.000 0.235 268 L C -0.669 176.298 176.870 0.162 0.000 1.147 268 L CA -0.510 54.439 54.840 0.181 0.000 0.755 268 L CB 0.895 43.163 42.059 0.349 0.000 1.457 268 L HN 0.810 nan 8.230 nan 0.000 0.229 269 T N 2.753 117.389 114.554 0.136 0.000 2.851 269 T HA 0.173 4.524 4.350 0.001 0.000 0.298 269 T C -1.665 173.121 174.700 0.143 0.000 0.977 269 T CA -1.231 60.932 62.100 0.105 0.000 1.126 269 T CB 0.814 69.731 68.868 0.081 0.000 0.916 269 T HN 0.405 nan 8.240 nan 0.000 0.529 270 P HA -0.151 nan 4.420 nan 0.000 0.220 270 P C 0.830 178.212 177.300 0.136 0.000 1.142 270 P CA 1.166 64.309 63.100 0.072 0.000 0.801 270 P CB 0.337 32.036 31.700 -0.001 0.000 0.764 271 E N -1.875 118.397 120.200 0.121 0.000 2.434 271 E HA -0.032 4.319 4.350 0.001 0.000 0.207 271 E C 1.523 178.189 176.600 0.110 0.000 0.929 271 E CA -0.121 56.342 56.400 0.105 0.000 1.001 271 E CB -0.111 29.627 29.700 0.063 0.000 1.016 271 E HN -0.070 nan 8.360 nan 0.000 0.502 272 D N 0.064 120.539 120.400 0.124 0.000 2.178 272 D HA -0.173 4.468 4.640 0.001 0.000 0.202 272 D C 1.234 177.608 176.300 0.123 0.000 0.974 272 D CA 0.699 54.764 54.000 0.108 0.000 0.841 272 D CB -0.024 40.845 40.800 0.115 0.000 0.953 272 D HN 0.310 nan 8.370 nan 0.000 0.478 273 W N 1.391 122.696 121.300 0.008 0.000 2.381 273 W HA -0.062 4.599 4.660 0.001 0.000 0.301 273 W C 1.944 178.464 176.519 0.002 0.000 1.205 273 W CA 1.717 59.065 57.345 0.006 0.000 1.285 273 W CB -0.600 28.863 29.460 0.004 0.000 1.133 273 W HN 0.027 nan 8.180 nan 0.000 0.521 274 G N 0.601 109.554 108.800 0.255 0.000 2.443 274 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 274 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 274 G C 1.612 176.534 174.900 0.036 0.000 1.131 274 G CA 0.833 46.019 45.100 0.143 0.000 0.775 274 G HN 0.243 nan 8.290 nan 0.000 0.547 275 K N -0.573 119.839 120.400 0.019 0.000 2.147 275 K HA 0.017 4.337 4.320 0.001 0.000 0.205 275 K C 2.323 178.883 176.600 -0.067 0.000 1.049 275 K CA 0.717 56.992 56.287 -0.020 0.000 0.936 275 K CB -0.164 32.331 32.500 -0.008 0.000 0.722 275 K HN 0.298 nan 8.250 nan 0.000 0.446 276 L N 0.850 121.996 121.223 -0.127 0.000 2.056 276 L HA -0.153 4.188 4.340 0.001 0.000 0.207 276 L C 2.269 179.041 176.870 -0.162 0.000 1.078 276 L CA 2.225 56.946 54.840 -0.199 0.000 0.749 276 L CB -0.801 41.021 42.059 -0.395 0.000 0.901 276 L HN 0.289 nan 8.230 nan 0.000 0.433 277 T N -3.268 111.207 114.554 -0.132 0.000 2.962 277 T HA -0.174 4.177 4.350 0.001 0.000 0.270 277 T C 1.715 176.385 174.700 -0.050 0.000 1.088 277 T CA 1.495 63.550 62.100 -0.075 0.000 1.127 277 T CB -0.409 68.452 68.868 -0.012 0.000 0.883 277 T HN 0.404 nan 8.240 nan 0.000 0.493 278 M N 0.814 120.386 119.600 -0.047 0.000 2.287 278 M HA 0.283 4.764 4.480 0.001 0.000 0.266 278 M C 2.985 179.254 176.300 -0.051 0.000 1.079 278 M CA 1.203 56.479 55.300 -0.040 0.000 1.146 278 M CB -0.615 31.965 32.600 -0.033 0.000 1.374 278 M HN 0.417 nan 8.290 nan 0.000 0.435 279 A N 1.080 123.861 122.820 -0.065 0.000 1.858 279 A HA -0.147 4.173 4.320 0.001 0.000 0.216 279 A C 2.226 179.770 177.584 -0.067 0.000 1.190 279 A CA 1.585 53.582 52.037 -0.068 0.000 0.617 279 A CB -0.651 18.303 19.000 -0.077 0.000 0.827 279 A HN 0.400 nan 8.150 nan 0.000 0.443 280 M N -0.699 118.855 119.600 -0.076 0.000 2.115 280 M HA -0.167 4.313 4.480 0.001 0.000 0.258 280 M C 2.383 178.649 176.300 -0.057 0.000 1.071 280 M CA 1.757 57.015 55.300 -0.071 0.000 1.100 280 M CB -0.894 31.660 32.600 -0.078 0.000 1.292 280 M HN 0.529 nan 8.290 nan 0.000 0.415 281 G N -0.087 108.684 108.800 -0.048 0.000 2.547 281 G HA2 -0.301 3.659 3.960 0.001 0.000 0.221 281 G HA3 -0.301 3.659 3.960 0.001 0.000 0.221 281 G C 1.536 176.411 174.900 -0.041 0.000 1.140 281 G CA 1.669 46.745 45.100 -0.039 0.000 0.760 281 G HN 0.605 nan 8.290 nan 0.000 0.583 282 S N -0.577 115.097 115.700 -0.044 0.000 2.496 282 S HA 0.201 4.671 4.470 0.001 0.000 0.224 282 S C 2.026 176.597 174.600 -0.049 0.000 0.996 282 S CA 0.675 58.849 58.200 -0.043 0.000 0.927 282 S CB 0.061 63.235 63.200 -0.044 0.000 0.774 282 S HN 0.139 nan 8.310 nan 0.000 0.524 283 L N 1.464 122.654 121.223 -0.054 0.000 2.416 283 L HA 0.330 4.670 4.340 0.001 0.000 0.216 283 L C 2.381 179.210 176.870 -0.068 0.000 1.098 283 L CA 0.763 55.567 54.840 -0.060 0.000 0.840 283 L CB -0.500 41.523 42.059 -0.060 0.000 0.981 283 L HN 0.212 nan 8.230 nan 0.000 0.462 284 S N 0.139 115.801 115.700 -0.063 0.000 2.368 284 S HA -0.139 4.332 4.470 0.001 0.000 0.225 284 S C 1.591 176.151 174.600 -0.068 0.000 1.030 284 S CA 1.369 59.529 58.200 -0.066 0.000 0.999 284 S CB -0.344 62.824 63.200 -0.052 0.000 0.844 284 S HN 0.510 nan 8.310 nan 0.000 0.459 285 N N 1.711 120.378 118.700 -0.055 0.000 2.459 285 N HA 0.130 4.871 4.740 0.001 0.000 0.181 285 N C 0.498 175.976 175.510 -0.054 0.000 1.046 285 N CA 0.418 53.439 53.050 -0.048 0.000 0.904 285 N CB -0.459 38.006 38.487 -0.036 0.000 0.964 285 N HN 0.386 nan 8.380 nan 0.000 0.444 286 A N 0.108 122.888 122.820 -0.067 0.000 2.425 286 A HA 0.510 4.830 4.320 0.001 0.000 0.242 286 A C 1.043 178.564 177.584 -0.105 0.000 1.077 286 A CA 0.090 52.085 52.037 -0.070 0.000 0.781 286 A CB 0.107 19.065 19.000 -0.071 0.000 1.020 286 A HN 0.206 nan 8.150 nan 0.000 0.494 287 G N 1.167 109.923 108.800 -0.073 0.000 3.714 287 G HA2 0.491 4.451 3.960 0.001 0.000 0.276 287 G HA3 0.491 4.451 3.960 0.001 0.000 0.276 287 G C -0.253 174.574 174.900 -0.122 0.000 1.058 287 G CA -0.260 44.794 45.100 -0.077 0.000 1.700 287 G HN 0.570 nan 8.290 nan 0.000 0.605 288 I N 0.936 121.326 120.570 -0.301 0.000 2.336 288 I HA 0.344 4.514 4.170 0.001 0.000 0.292 288 I C -0.914 174.930 176.117 -0.455 0.000 0.991 288 I CA -0.917 60.246 61.300 -0.229 0.000 1.227 288 I CB 1.458 39.370 38.000 -0.148 0.000 1.366 288 I HN 0.193 nan 8.210 nan 0.000 0.466 289 Y N 6.566 126.816 120.300 -0.083 0.000 2.326 289 Y HA 0.558 5.108 4.550 0.001 0.000 0.331 289 Y C -0.095 175.701 175.900 -0.173 0.000 0.962 289 Y CA -0.576 57.456 58.100 -0.113 0.000 1.167 289 Y CB 1.455 39.846 38.460 -0.114 0.000 1.148 289 Y HN 0.358 nan 8.280 nan 0.000 0.463 290 I N 3.245 123.784 120.570 -0.051 0.000 2.441 290 I HA 0.308 4.478 4.170 0.001 0.000 0.295 290 I C -0.877 175.161 176.117 -0.133 0.000 0.994 290 I CA -0.618 60.615 61.300 -0.112 0.000 1.144 290 I CB 1.721 39.679 38.000 -0.069 0.000 1.314 290 I HN 0.506 nan 8.210 nan 0.000 0.445 291 D N 5.151 125.425 120.400 -0.210 0.000 2.469 291 D HA 0.173 4.814 4.640 0.001 0.000 0.251 291 D C -0.609 175.695 176.300 0.006 0.000 1.173 291 D CA -0.498 53.432 54.000 -0.117 0.000 0.882 291 D CB 1.080 41.761 40.800 -0.198 0.000 1.129 291 D HN 0.501 nan 8.370 nan 0.000 0.549 292 D N 2.059 122.474 120.400 0.025 0.000 2.722 292 D HA 0.057 4.697 4.640 0.001 0.000 0.239 292 D C -0.385 175.947 176.300 0.053 0.000 1.249 292 D CA -0.360 53.666 54.000 0.045 0.000 0.830 292 D CB -0.358 40.459 40.800 0.028 0.000 1.025 292 D HN 0.062 nan 8.370 nan 0.000 0.486 293 T N 2.847 117.446 114.554 0.075 0.000 2.834 293 T HA 0.107 4.457 4.350 0.001 0.000 0.298 293 T C -1.213 173.515 174.700 0.046 0.000 0.966 293 T CA -0.925 61.211 62.100 0.060 0.000 1.141 293 T CB 1.594 70.506 68.868 0.073 0.000 0.905 293 T HN 0.052 nan 8.240 nan 0.000 0.535 294 P HA -0.128 nan 4.420 nan 0.000 0.216 294 P C 0.321 177.614 177.300 -0.013 0.000 1.167 294 P CA 1.217 64.322 63.100 0.008 0.000 0.914 294 P CB 0.075 31.779 31.700 0.007 0.000 0.793 295 S N -1.188 114.503 115.700 -0.014 0.000 2.721 295 S HA 0.550 5.020 4.470 0.001 0.000 0.264 295 S C -0.199 174.382 174.600 -0.031 0.000 1.161 295 S CA -0.916 57.263 58.200 -0.035 0.000 1.113 295 S CB 0.020 63.196 63.200 -0.039 0.000 1.079 295 S HN -0.049 nan 8.310 nan 0.000 0.479 296 I N 2.880 123.425 120.570 -0.042 0.000 2.577 296 I HA 0.460 4.630 4.170 0.001 0.000 0.300 296 I C 0.718 176.789 176.117 -0.077 0.000 0.990 296 I CA -1.096 60.174 61.300 -0.050 0.000 1.283 296 I CB 0.894 38.851 38.000 -0.072 0.000 1.411 296 I HN 0.469 nan 8.210 nan 0.000 0.515 297 R N 2.882 123.342 120.500 -0.068 0.000 2.528 297 R HA 0.326 4.666 4.340 0.001 0.000 0.271 297 R C 0.762 177.000 176.300 -0.104 0.000 1.056 297 R CA -0.798 55.258 56.100 -0.072 0.000 1.117 297 R CB 0.961 31.232 30.300 -0.048 0.000 1.085 297 R HN 0.407 nan 8.270 nan 0.000 0.530 298 V N 1.084 120.936 119.914 -0.104 0.000 2.490 298 V HA -0.264 3.857 4.120 0.001 0.000 0.250 298 V C 2.372 178.402 176.094 -0.108 0.000 1.061 298 V CA 2.343 64.566 62.300 -0.129 0.000 1.064 298 V CB -0.713 31.048 31.823 -0.104 0.000 0.670 298 V HN 0.971 nan 8.190 nan 0.000 0.461 299 S N 0.391 116.048 115.700 -0.071 0.000 2.383 299 S HA -0.262 4.208 4.470 0.001 0.000 0.229 299 S C 1.622 176.194 174.600 -0.046 0.000 1.030 299 S CA 1.656 59.825 58.200 -0.051 0.000 1.002 299 S CB -0.560 62.619 63.200 -0.035 0.000 0.829 299 S HN 0.604 nan 8.310 nan 0.000 0.467 300 D N 2.058 122.428 120.400 -0.050 0.000 2.084 300 D HA -0.003 4.637 4.640 0.001 0.000 0.194 300 D C 2.014 178.298 176.300 -0.028 0.000 0.990 300 D CA 1.182 55.167 54.000 -0.024 0.000 0.826 300 D CB -0.552 40.240 40.800 -0.013 0.000 0.971 300 D HN 0.420 nan 8.370 nan 0.000 0.453 301 I N 0.794 121.277 120.570 -0.146 0.000 2.145 301 I HA -0.322 3.849 4.170 0.001 0.000 0.244 301 I C 2.661 178.732 176.117 -0.076 0.000 1.075 301 I CA 1.299 62.418 61.300 -0.302 0.000 1.332 301 I CB -0.164 37.468 38.000 -0.614 0.000 1.033 301 I HN -0.045 nan 8.210 nan 0.000 0.410 302 R N 0.309 120.766 120.500 -0.073 0.000 2.073 302 R HA -0.133 4.207 4.340 0.001 0.000 0.234 302 R C 2.397 178.701 176.300 0.005 0.000 1.134 302 R CA 1.558 57.642 56.100 -0.027 0.000 0.952 302 R CB -0.377 29.901 30.300 -0.037 0.000 0.850 302 R HN 0.390 nan 8.270 nan 0.000 0.433 303 A N 0.950 123.773 122.820 0.006 0.000 1.968 303 A HA -0.135 4.186 4.320 0.001 0.000 0.217 303 A C 1.853 179.454 177.584 0.028 0.000 1.169 303 A CA 1.160 53.204 52.037 0.011 0.000 0.638 303 A CB -0.111 18.892 19.000 0.006 0.000 0.812 303 A HN 0.188 nan 8.150 nan 0.000 0.446 304 K N -0.819 119.621 120.400 0.066 0.000 2.007 304 K HA -0.088 4.232 4.320 0.001 0.000 0.206 304 K C 2.063 178.701 176.600 0.063 0.000 1.047 304 K CA 1.423 57.762 56.287 0.085 0.000 0.937 304 K CB -0.410 32.197 32.500 0.178 0.000 0.718 304 K HN 0.524 nan 8.250 nan 0.000 0.438 305 C N 0.675 120.042 119.300 0.112 0.000 2.413 305 C HA -0.073 4.387 4.460 0.001 0.000 0.276 305 C C 2.610 177.606 174.990 0.009 0.000 1.248 305 C CA 0.522 59.580 59.018 0.067 0.000 1.742 305 C CB -0.785 27.021 27.740 0.110 0.000 2.017 305 C HN 0.453 nan 8.230 nan 0.000 0.481 306 R N 0.538 121.044 120.500 0.011 0.000 2.094 306 R HA -0.156 4.185 4.340 0.001 0.000 0.239 306 R C 2.498 178.786 176.300 -0.020 0.000 1.137 306 R CA 1.651 57.748 56.100 -0.006 0.000 0.943 306 R CB -0.254 30.044 30.300 -0.003 0.000 0.850 306 R HN 0.556 nan 8.270 nan 0.000 0.433 307 R N -0.055 120.431 120.500 -0.022 0.000 2.096 307 R HA -0.152 4.188 4.340 0.001 0.000 0.235 307 R C 2.261 178.521 176.300 -0.067 0.000 1.127 307 R CA 1.122 57.200 56.100 -0.036 0.000 0.968 307 R CB -0.330 29.952 30.300 -0.030 0.000 0.861 307 R HN 0.162 nan 8.270 nan 0.000 0.440 308 L N 1.365 122.531 121.223 -0.094 0.000 2.109 308 L HA -0.097 4.243 4.340 0.001 0.000 0.207 308 L C 2.154 178.940 176.870 -0.140 0.000 1.086 308 L CA 1.738 56.473 54.840 -0.174 0.000 0.760 308 L CB -0.287 41.624 42.059 -0.247 0.000 0.910 308 L HN -0.030 nan 8.230 nan 0.000 0.437 309 K N -0.763 119.587 120.400 -0.083 0.000 2.057 309 K HA -0.173 4.147 4.320 0.001 0.000 0.206 309 K C 1.837 178.408 176.600 -0.049 0.000 1.050 309 K CA 1.616 57.869 56.287 -0.057 0.000 0.935 309 K CB -0.004 32.478 32.500 -0.031 0.000 0.715 309 K HN 0.463 nan 8.250 nan 0.000 0.439 310 Q N -0.541 119.233 119.800 -0.044 0.000 2.444 310 Q HA -0.059 4.282 4.340 0.001 0.000 0.206 310 Q C 1.163 177.142 176.000 -0.035 0.000 0.948 310 Q CA 0.484 56.268 55.803 -0.032 0.000 0.946 310 Q CB 0.600 29.323 28.738 -0.025 0.000 1.027 310 Q HN 0.363 nan 8.270 nan 0.000 0.513 311 E N -1.279 118.890 120.200 -0.051 0.000 2.391 311 E HA 0.089 4.439 4.350 0.001 0.000 0.206 311 E C 0.875 177.446 176.600 -0.048 0.000 0.851 311 E CA 0.447 56.818 56.400 -0.049 0.000 1.059 311 E CB 0.621 30.285 29.700 -0.060 0.000 1.065 311 E HN 0.060 nan 8.360 nan 0.000 0.512 312 S N -0.967 114.692 115.700 -0.068 0.000 2.612 312 S HA 0.366 4.837 4.470 0.001 0.000 0.278 312 S C 0.001 174.581 174.600 -0.034 0.000 1.082 312 S CA 0.114 58.286 58.200 -0.047 0.000 1.185 312 S CB 2.004 65.168 63.200 -0.061 0.000 1.077 312 S HN 0.431 nan 8.310 nan 0.000 0.585 313 G N 1.677 110.445 108.800 -0.054 0.000 3.233 313 G HA2 -0.006 3.954 3.960 0.001 0.000 0.686 313 G HA3 -0.006 3.954 3.960 0.001 0.000 0.686 313 G C -1.218 173.662 174.900 -0.034 0.000 1.153 313 G CA -0.773 44.309 45.100 -0.031 0.000 0.853 313 G HN 0.331 nan 8.290 nan 0.000 0.582 314 L N 2.096 123.303 121.223 -0.027 0.000 2.330 314 L HA 0.882 5.222 4.340 0.001 0.000 0.271 314 L C 1.231 178.106 176.870 0.009 0.000 1.013 314 L CA 0.161 54.992 54.840 -0.016 0.000 0.816 314 L CB 1.965 44.009 42.059 -0.025 0.000 1.287 314 L HN 1.005 nan 8.230 nan 0.000 0.435 315 G N 3.107 111.922 108.800 0.025 0.000 2.512 315 G HA2 0.273 4.233 3.960 0.001 0.000 0.193 315 G HA3 0.273 4.233 3.960 0.001 0.000 0.193 315 G C -0.021 174.904 174.900 0.042 0.000 1.278 315 G CA -0.089 45.031 45.100 0.033 0.000 0.722 315 G HN 0.373 nan 8.290 nan 0.000 0.925 316 M N 0.560 120.188 119.600 0.047 0.000 2.531 316 M HA 0.555 5.036 4.480 0.001 0.000 0.286 316 M C -1.894 174.439 176.300 0.056 0.000 1.232 316 M CA -0.529 54.801 55.300 0.050 0.000 0.877 316 M CB 3.194 35.829 32.600 0.057 0.000 1.726 316 M HN -0.118 nan 8.290 nan 0.000 0.463 317 I N 2.109 122.713 120.570 0.057 0.000 2.478 317 I HA 0.455 4.626 4.170 0.001 0.000 0.287 317 I C -1.053 175.119 176.117 0.092 0.000 1.042 317 I CA -0.812 60.551 61.300 0.105 0.000 1.067 317 I CB 2.072 40.149 38.000 0.129 0.000 1.233 317 I HN 0.248 nan 8.210 nan 0.000 0.431 318 V N 7.252 127.241 119.914 0.125 0.000 2.448 318 V HA 0.491 4.612 4.120 0.001 0.000 0.295 318 V C -0.080 176.126 176.094 0.187 0.000 1.025 318 V CA -0.469 61.893 62.300 0.103 0.000 0.859 318 V CB 1.992 33.852 31.823 0.062 0.000 0.988 318 V HN 0.481 nan 8.190 nan 0.000 0.431 319 I N 3.237 123.891 120.570 0.140 0.000 2.382 319 I HA 0.303 4.474 4.170 0.001 0.000 0.285 319 I C -0.401 175.791 176.117 0.125 0.000 1.007 319 I CA -0.426 60.962 61.300 0.146 0.000 1.142 319 I CB 1.640 39.666 38.000 0.044 0.000 1.289 319 I HN 0.554 nan 8.210 nan 0.000 0.453 320 D N 8.122 128.611 120.400 0.148 0.000 2.367 320 D HA 0.073 4.714 4.640 0.001 0.000 0.255 320 D C -0.381 176.016 176.300 0.160 0.000 1.300 320 D CA 0.442 54.546 54.000 0.173 0.000 0.959 320 D CB -0.080 40.824 40.800 0.173 0.000 1.064 320 D HN 0.348 nan 8.370 nan 0.000 0.509 321 Y N 1.459 121.792 120.300 0.054 0.000 2.576 321 Y HA -0.302 4.248 4.550 0.001 0.000 0.053 321 Y C 0.212 176.125 175.900 0.022 0.000 1.757 321 Y CA -0.015 58.108 58.100 0.039 0.000 1.365 321 Y CB -1.141 37.345 38.460 0.044 0.000 2.012 321 Y HN 0.442 nan 8.280 nan 0.000 0.266 322 L N 3.073 124.365 121.223 0.115 0.000 2.046 322 L HA -0.241 4.099 4.340 0.001 0.000 0.208 322 L C 2.235 179.098 176.870 -0.011 0.000 1.077 322 L CA 1.856 56.709 54.840 0.022 0.000 0.747 322 L CB -0.256 41.834 42.059 0.051 0.000 0.896 322 L HN 0.907 nan 8.230 nan 0.000 0.432 323 Q N -0.288 119.559 119.800 0.078 0.000 2.443 323 Q HA -0.179 4.162 4.340 0.001 0.000 0.213 323 Q C 1.975 177.934 176.000 -0.068 0.000 0.982 323 Q CA 1.129 56.970 55.803 0.063 0.000 0.894 323 Q CB -0.319 28.545 28.738 0.209 0.000 0.947 323 Q HN 0.574 nan 8.270 nan 0.000 0.480 324 L N 0.157 121.221 121.223 -0.265 0.000 2.477 324 L HA 0.186 4.526 4.340 0.001 0.000 0.220 324 L C 0.739 177.499 176.870 -0.184 0.000 1.106 324 L CA -0.146 54.502 54.840 -0.320 0.000 0.851 324 L CB 0.228 41.913 42.059 -0.624 0.000 0.994 324 L HN 0.102 nan 8.230 nan 0.000 0.462 325 I N 1.283 121.764 120.570 -0.150 0.000 2.598 325 I HA -0.068 4.103 4.170 0.001 0.000 0.284 325 I C 0.609 176.678 176.117 -0.079 0.000 1.140 325 I CA 0.120 61.353 61.300 -0.112 0.000 1.420 325 I CB 0.616 38.549 38.000 -0.111 0.000 1.387 325 I HN 0.257 nan 8.210 nan 0.000 0.553 326 Q N 5.593 125.353 119.800 -0.067 0.000 2.221 326 Q HA 0.618 4.959 4.340 0.001 0.000 0.242 326 Q C 0.221 176.195 176.000 -0.043 0.000 0.940 326 Q CA -0.864 54.911 55.803 -0.047 0.000 0.896 326 Q CB 1.409 30.125 28.738 -0.037 0.000 1.226 326 Q HN 0.685 nan 8.270 nan 0.000 0.463 327 G N 0.355 109.136 108.800 -0.031 0.000 2.553 327 G HA2 0.184 4.145 3.960 0.001 0.000 0.278 327 G HA3 0.184 4.145 3.960 0.001 0.000 0.278 327 G C 0.414 175.299 174.900 -0.024 0.000 1.349 327 G CA -0.317 44.767 45.100 -0.027 0.000 1.037 327 G HN 0.811 nan 8.290 nan 0.000 0.508 328 S N -1.105 114.583 115.700 -0.020 0.000 2.603 328 S HA 0.223 4.694 4.470 0.001 0.000 0.220 328 S C 1.318 175.911 174.600 -0.011 0.000 0.967 328 S CA 0.273 58.462 58.200 -0.017 0.000 0.920 328 S CB -0.003 63.188 63.200 -0.015 0.000 0.773 328 S HN 0.826 nan 8.310 nan 0.000 0.529 329 G N 1.297 110.091 108.800 -0.010 0.000 2.928 329 G HA2 0.602 4.563 3.960 0.001 0.000 0.163 329 G HA3 0.602 4.563 3.960 0.001 0.000 0.163 329 G C 0.075 174.972 174.900 -0.006 0.000 1.573 329 G CA -0.684 44.412 45.100 -0.006 0.000 1.084 329 G HN 0.246 nan 8.290 nan 0.000 0.569 339 V N 1.195 121.108 119.914 -0.001 0.000 2.626 339 V HA -0.101 4.019 4.120 0.001 0.000 0.252 339 V C 1.712 177.805 176.094 -0.001 0.000 1.067 339 V CA 2.624 64.924 62.300 -0.000 0.000 1.081 339 V CB -0.150 31.679 31.823 0.010 0.000 0.686 339 V HN 0.366 nan 8.190 nan 0.000 0.468 340 S N -0.083 115.617 115.700 0.000 0.000 2.383 340 S HA -0.155 4.315 4.470 0.001 0.000 0.227 340 S C 1.746 176.342 174.600 -0.007 0.000 1.026 340 S CA 1.680 59.880 58.200 -0.001 0.000 0.981 340 S CB -0.246 62.956 63.200 0.002 0.000 0.818 340 S HN 0.769 nan 8.310 nan 0.000 0.472 341 E N 0.660 120.855 120.200 -0.008 0.000 2.150 341 E HA -0.028 4.322 4.350 0.001 0.000 0.193 341 E C 1.855 178.443 176.600 -0.020 0.000 0.985 341 E CA 0.704 57.097 56.400 -0.013 0.000 0.814 341 E CB -0.163 29.530 29.700 -0.012 0.000 0.752 341 E HN 0.471 nan 8.360 nan 0.000 0.466 342 I N 0.342 120.899 120.570 -0.023 0.000 2.163 342 I HA -0.255 3.915 4.170 0.001 0.000 0.240 342 I C 2.627 178.724 176.117 -0.033 0.000 1.081 342 I CA 0.778 62.057 61.300 -0.034 0.000 1.353 342 I CB -0.233 37.746 38.000 -0.036 0.000 1.054 342 I HN 0.065 nan 8.210 nan 0.000 0.407 343 S N 0.541 116.228 115.700 -0.023 0.000 2.383 343 S HA -0.246 4.225 4.470 0.001 0.000 0.229 343 S C 2.235 176.822 174.600 -0.021 0.000 1.030 343 S CA 1.547 59.734 58.200 -0.020 0.000 1.002 343 S CB -0.267 62.928 63.200 -0.010 0.000 0.829 343 S HN 0.276 nan 8.310 nan 0.000 0.467 344 R N 0.053 120.542 120.500 -0.018 0.000 2.092 344 R HA 0.004 4.345 4.340 0.001 0.000 0.231 344 R C 2.628 178.915 176.300 -0.022 0.000 1.119 344 R CA 1.491 57.581 56.100 -0.017 0.000 0.970 344 R CB -0.546 29.747 30.300 -0.013 0.000 0.864 344 R HN 0.409 nan 8.270 nan 0.000 0.440 345 S N 0.126 115.810 115.700 -0.028 0.000 2.406 345 S HA 0.025 4.495 4.470 0.001 0.000 0.228 345 S C 1.775 176.350 174.600 -0.041 0.000 1.020 345 S CA 0.657 58.836 58.200 -0.034 0.000 0.965 345 S CB -0.003 63.172 63.200 -0.041 0.000 0.798 345 S HN 0.278 nan 8.310 nan 0.000 0.488 346 L N 0.778 121.974 121.223 -0.045 0.000 2.217 346 L HA -0.014 4.327 4.340 0.001 0.000 0.211 346 L C 2.513 179.361 176.870 -0.036 0.000 1.107 346 L CA 0.994 55.804 54.840 -0.049 0.000 0.783 346 L CB -0.404 41.623 42.059 -0.053 0.000 0.919 346 L HN 0.218 nan 8.230 nan 0.000 0.442 347 K N 1.050 121.433 120.400 -0.030 0.000 2.025 347 K HA -0.089 4.232 4.320 0.001 0.000 0.207 347 K C 2.072 178.660 176.600 -0.020 0.000 1.049 347 K CA 1.627 57.900 56.287 -0.023 0.000 0.933 347 K CB -0.467 32.022 32.500 -0.019 0.000 0.714 347 K HN 0.152 nan 8.250 nan 0.000 0.438 348 A N 1.251 124.059 122.820 -0.020 0.000 1.869 348 A HA -0.206 4.114 4.320 0.001 0.000 0.218 348 A C 2.196 179.770 177.584 -0.018 0.000 1.203 348 A CA 2.104 54.131 52.037 -0.017 0.000 0.638 348 A CB -1.138 17.851 19.000 -0.019 0.000 0.831 348 A HN 0.439 nan 8.150 nan 0.000 0.450 349 L N -0.202 121.007 121.223 -0.024 0.000 2.021 349 L HA -0.203 4.137 4.340 0.001 0.000 0.215 349 L C 2.607 179.469 176.870 -0.014 0.000 1.074 349 L CA 2.756 57.583 54.840 -0.022 0.000 0.760 349 L CB -0.902 41.136 42.059 -0.035 0.000 0.889 349 L HN 0.391 nan 8.230 nan 0.000 0.433 350 A N -0.434 122.376 122.820 -0.015 0.000 1.883 350 A HA -0.227 4.094 4.320 0.001 0.000 0.217 350 A C 2.455 180.036 177.584 -0.005 0.000 1.186 350 A CA 1.995 54.026 52.037 -0.010 0.000 0.624 350 A CB -0.623 18.367 19.000 -0.016 0.000 0.822 350 A HN 0.558 nan 8.150 nan 0.000 0.444 351 R N -0.928 119.568 120.500 -0.007 0.000 2.148 351 R HA -0.063 4.278 4.340 0.001 0.000 0.223 351 R C 2.153 178.451 176.300 -0.003 0.000 1.088 351 R CA 1.129 57.227 56.100 -0.004 0.000 0.985 351 R CB -0.150 30.148 30.300 -0.005 0.000 0.880 351 R HN 0.743 nan 8.270 nan 0.000 0.451 352 E N 0.371 120.568 120.200 -0.005 0.000 2.158 352 E HA -0.120 4.231 4.350 0.001 0.000 0.191 352 E C 1.072 177.671 176.600 -0.003 0.000 0.982 352 E CA 0.778 57.175 56.400 -0.005 0.000 0.823 352 E CB 0.320 30.016 29.700 -0.007 0.000 0.766 352 E HN 0.113 nan 8.360 nan 0.000 0.468 353 L N 0.797 122.019 121.223 -0.001 0.000 2.616 353 L HA 0.126 4.466 4.340 0.001 0.000 0.229 353 L C -0.135 176.738 176.870 0.004 0.000 1.110 353 L CA 0.474 55.315 54.840 0.001 0.000 0.884 353 L CB 0.233 42.295 42.059 0.005 0.000 1.115 353 L HN 0.010 nan 8.230 nan 0.000 0.481 354 E N -0.529 119.673 120.200 0.005 0.000 2.230 354 E HA -0.185 4.166 4.350 0.001 0.000 0.206 354 E C -0.754 175.854 176.600 0.013 0.000 1.309 354 E CA 0.052 56.457 56.400 0.008 0.000 0.697 354 E CB -1.183 28.521 29.700 0.007 0.000 1.146 354 E HN 0.075 nan 8.360 nan 0.000 0.363 355 V N 0.971 120.893 119.914 0.014 0.000 2.752 355 V HA 0.312 4.432 4.120 0.001 0.000 0.302 355 V C -2.147 173.957 176.094 0.017 0.000 1.133 355 V CA -1.673 60.639 62.300 0.021 0.000 0.919 355 V CB 2.380 34.216 31.823 0.021 0.000 1.026 355 V HN 0.063 nan 8.190 nan 0.000 0.429 356 P HA 0.110 nan 4.420 nan 0.000 0.267 356 P C -0.675 176.607 177.300 -0.030 0.000 1.205 356 P CA 0.251 63.351 63.100 -0.000 0.000 0.765 356 P CB 0.926 32.650 31.700 0.039 0.000 0.828 357 V N 6.112 125.993 119.914 -0.056 0.000 2.328 357 V HA 0.283 4.403 4.120 0.001 0.000 0.278 357 V C 0.687 176.716 176.094 -0.109 0.000 1.021 357 V CA -0.522 61.746 62.300 -0.053 0.000 0.838 357 V CB 0.855 32.658 31.823 -0.034 0.000 0.999 357 V HN 0.392 nan 8.190 nan 0.000 0.447 358 I N 4.645 125.144 120.570 -0.118 0.000 2.312 358 I HA 0.591 4.762 4.170 0.001 0.000 0.291 358 I C 0.537 176.621 176.117 -0.056 0.000 1.031 358 I CA -0.066 61.141 61.300 -0.156 0.000 1.293 358 I CB 1.246 39.120 38.000 -0.210 0.000 1.403 358 I HN 0.656 nan 8.210 nan 0.000 0.484 359 A N 8.052 130.843 122.820 -0.047 0.000 2.291 359 A HA 0.694 5.014 4.320 0.001 0.000 0.311 359 A C -0.436 177.165 177.584 0.029 0.000 1.224 359 A CA -0.553 51.484 52.037 0.000 0.000 0.821 359 A CB 0.589 19.582 19.000 -0.012 0.000 1.172 359 A HN 0.681 nan 8.150 nan 0.000 0.494 360 L N 1.867 123.138 121.223 0.080 0.000 2.426 360 L HA 0.473 4.814 4.340 0.001 0.000 0.271 360 L C 0.890 177.844 176.870 0.139 0.000 1.169 360 L CA 0.081 54.990 54.840 0.116 0.000 0.836 360 L CB 1.310 43.465 42.059 0.159 0.000 1.112 360 L HN 0.690 nan 8.230 nan 0.000 0.465 361 S N 1.493 117.263 115.700 0.116 0.000 2.632 361 S HA 0.468 4.939 4.470 0.001 0.000 0.289 361 S C -1.052 173.596 174.600 0.079 0.000 1.115 361 S CA -0.676 57.598 58.200 0.123 0.000 0.889 361 S CB 1.960 65.219 63.200 0.099 0.000 1.116 361 S HN 0.623 nan 8.310 nan 0.000 0.486 362 Q N 1.914 121.751 119.800 0.061 0.000 2.312 362 Q HA 0.617 4.957 4.340 0.001 0.000 0.263 362 Q C -1.290 174.722 176.000 0.020 0.000 0.995 362 Q CA -0.615 55.177 55.803 -0.019 0.000 0.853 362 Q CB 1.347 30.007 28.738 -0.131 0.000 1.300 362 Q HN 0.690 nan 8.270 nan 0.000 0.448 363 L N 2.042 123.268 121.223 0.004 0.000 2.375 363 L HA 0.375 4.716 4.340 0.001 0.000 0.271 363 L C 0.454 177.314 176.870 -0.018 0.000 1.107 363 L CA -0.458 54.381 54.840 -0.001 0.000 0.806 363 L CB 1.311 43.350 42.059 -0.034 0.000 1.146 363 L HN 0.755 nan 8.230 nan 0.000 0.447 364 S N 1.672 117.361 115.700 -0.018 0.000 2.606 364 S HA 0.175 4.646 4.470 0.001 0.000 0.257 364 S C 0.581 175.162 174.600 -0.031 0.000 1.327 364 S CA -0.518 57.671 58.200 -0.019 0.000 0.984 364 S CB 0.468 63.660 63.200 -0.014 0.000 0.941 364 S HN 0.572 nan 8.310 nan 0.000 0.576 365 R N 0.441 120.927 120.500 -0.024 0.000 2.788 365 R HA 0.222 4.562 4.340 0.001 0.000 0.264 365 R C 1.038 177.320 176.300 -0.029 0.000 1.267 365 R CA 0.025 56.110 56.100 -0.025 0.000 1.213 365 R CB -0.396 29.894 30.300 -0.017 0.000 1.256 365 R HN 0.592 nan 8.270 nan 0.000 0.556 366 S N -0.513 115.163 115.700 -0.040 0.000 2.406 366 S HA -0.059 4.411 4.470 0.001 0.000 0.224 366 S C 1.992 176.558 174.600 -0.057 0.000 1.030 366 S CA 0.498 58.670 58.200 -0.046 0.000 0.958 366 S CB 0.210 63.379 63.200 -0.052 0.000 0.811 366 S HN 0.129 nan 8.310 nan 0.000 0.489 367 V N 1.975 121.847 119.914 -0.071 0.000 2.252 367 V HA -0.200 3.921 4.120 0.001 0.000 0.249 367 V C 1.233 177.305 176.094 -0.037 0.000 1.056 367 V CA 1.505 63.761 62.300 -0.073 0.000 1.022 367 V CB -0.752 31.026 31.823 -0.075 0.000 0.641 367 V HN 0.476 nan 8.190 nan 0.000 0.445 375 P HA 0.224 nan 4.420 nan 0.000 0.272 375 P C -0.521 176.400 177.300 -0.632 0.000 1.230 375 P CA -0.161 62.594 63.100 -0.574 0.000 0.788 375 P CB 0.787 32.016 31.700 -0.785 0.000 0.949 376 M N -0.728 118.485 119.600 -0.644 0.000 3.223 376 M HA 0.395 4.875 4.480 0.001 0.000 0.282 376 M C 0.609 176.821 176.300 -0.147 0.000 1.346 376 M CA -0.994 54.124 55.300 -0.303 0.000 0.789 376 M CB 0.623 33.144 32.600 -0.132 0.000 1.724 376 M HN -0.129 nan 8.290 nan 0.000 0.447 377 M N 1.095 120.766 119.600 0.118 0.000 2.175 377 M HA -0.046 4.434 4.480 0.001 0.000 0.264 377 M C 2.171 178.530 176.300 0.098 0.000 1.063 377 M CA 2.343 57.764 55.300 0.203 0.000 1.119 377 M CB -1.386 31.297 32.600 0.139 0.000 1.377 377 M HN 0.965 nan 8.290 nan 0.000 0.415 378 S N -0.458 115.253 115.700 0.020 0.000 2.507 378 S HA -0.103 4.367 4.470 0.001 0.000 0.235 378 S C 1.098 175.687 174.600 -0.018 0.000 0.988 378 S CA 0.949 59.148 58.200 -0.000 0.000 0.944 378 S CB -0.417 62.772 63.200 -0.018 0.000 0.762 378 S HN 0.371 nan 8.310 nan 0.000 0.526 379 D N 1.759 122.127 120.400 -0.053 0.000 2.347 379 D HA 0.159 4.799 4.640 0.001 0.000 0.213 379 D C 1.527 177.825 176.300 -0.004 0.000 0.985 379 D CA 0.673 54.629 54.000 -0.073 0.000 0.879 379 D CB 0.010 40.696 40.800 -0.189 0.000 0.919 379 D HN 0.776 nan 8.370 nan 0.000 0.526 380 I N -3.099 117.509 120.570 0.063 0.000 4.227 380 I HA 0.326 4.496 4.170 0.001 0.000 0.334 380 I C 1.900 178.057 176.117 0.066 0.000 1.341 380 I CA -0.349 61.006 61.300 0.092 0.000 1.123 380 I CB 0.451 38.550 38.000 0.166 0.000 1.097 380 I HN -0.288 nan 8.210 nan 0.000 0.399 381 R N 2.296 122.829 120.500 0.054 0.000 2.115 381 R HA -0.006 4.334 4.340 0.001 0.000 0.226 381 R C 1.914 178.229 176.300 0.025 0.000 1.100 381 R CA 1.473 57.596 56.100 0.038 0.000 0.980 381 R CB -0.306 30.013 30.300 0.033 0.000 0.875 381 R HN 0.373 nan 8.270 nan 0.000 0.445 382 E N -0.361 119.850 120.200 0.018 0.000 2.338 382 E HA -0.013 4.337 4.350 0.001 0.000 0.197 382 E C 0.190 176.800 176.600 0.017 0.000 1.007 382 E CA 0.700 57.107 56.400 0.013 0.000 0.849 382 E CB 0.127 29.830 29.700 0.005 0.000 0.774 382 E HN 0.091 nan 8.360 nan 0.000 0.506 383 S N 0.752 116.468 115.700 0.025 0.000 2.592 383 S HA 0.328 4.798 4.470 0.001 0.000 0.243 383 S C 0.556 175.175 174.600 0.032 0.000 1.160 383 S CA -0.163 58.055 58.200 0.030 0.000 1.145 383 S CB 0.924 64.146 63.200 0.037 0.000 0.909 383 S HN 0.285 nan 8.310 nan 0.000 0.487 384 G N 1.263 110.079 108.800 0.027 0.000 2.583 384 G HA2 0.247 4.208 3.960 0.001 0.000 0.275 384 G HA3 0.247 4.208 3.960 0.001 0.000 0.275 384 G C 0.206 175.117 174.900 0.018 0.000 1.342 384 G CA -0.324 44.791 45.100 0.024 0.000 1.030 384 G HN 0.376 nan 8.290 nan 0.000 0.520 385 S N -0.608 115.100 115.700 0.014 0.000 2.560 385 S HA 0.197 4.668 4.470 0.001 0.000 0.227 385 S C 1.751 176.357 174.600 0.011 0.000 1.280 385 S CA -0.656 57.552 58.200 0.013 0.000 1.260 385 S CB -0.806 62.400 63.200 0.009 0.000 1.002 385 S HN 0.438 nan 8.310 nan 0.000 0.509 386 I N 0.197 120.776 120.570 0.015 0.000 2.394 386 I HA -0.104 4.067 4.170 0.001 0.000 0.251 386 I C 2.362 178.481 176.117 0.004 0.000 1.136 386 I CA 0.944 62.249 61.300 0.009 0.000 1.425 386 I CB -0.358 37.653 38.000 0.017 0.000 1.079 386 I HN 0.471 nan 8.210 nan 0.000 0.425 387 E N 1.404 121.612 120.200 0.013 0.000 2.086 387 E HA -0.351 4.000 4.350 0.001 0.000 0.205 387 E C 2.220 178.819 176.600 -0.000 0.000 1.027 387 E CA 2.121 58.528 56.400 0.011 0.000 0.830 387 E CB -0.001 29.714 29.700 0.025 0.000 0.751 387 E HN 0.506 nan 8.360 nan 0.000 0.456 388 Q N 0.185 119.986 119.800 0.002 0.000 2.049 388 Q HA -0.123 4.217 4.340 0.001 0.000 0.198 388 Q C 1.928 177.924 176.000 -0.006 0.000 0.971 388 Q CA 1.718 57.521 55.803 -0.001 0.000 0.833 388 Q CB 0.083 28.822 28.738 0.001 0.000 0.896 388 Q HN 0.338 nan 8.270 nan 0.000 0.434 389 D N 0.598 120.993 120.400 -0.008 0.000 2.144 389 D HA -0.073 4.567 4.640 0.001 0.000 0.199 389 D C 0.152 176.441 176.300 -0.018 0.000 0.984 389 D CA 1.002 54.995 54.000 -0.012 0.000 0.834 389 D CB -0.292 40.501 40.800 -0.012 0.000 0.955 389 D HN 0.245 nan 8.370 nan 0.000 0.465 390 A N 1.521 124.327 122.820 -0.023 0.000 2.450 390 A HA 0.141 4.461 4.320 0.001 0.000 0.255 390 A C 0.469 178.035 177.584 -0.029 0.000 1.096 390 A CA -0.283 51.733 52.037 -0.035 0.000 0.778 390 A CB 0.345 19.316 19.000 -0.049 0.000 1.031 390 A HN 0.046 nan 8.150 nan 0.000 0.494 391 D N 0.966 121.350 120.400 -0.027 0.000 2.363 391 D HA 0.225 4.865 4.640 0.001 0.000 0.214 391 D C 0.038 176.328 176.300 -0.016 0.000 1.093 391 D CA 0.141 54.131 54.000 -0.016 0.000 0.837 391 D CB 0.090 40.886 40.800 -0.006 0.000 0.948 391 D HN 0.421 nan 8.370 nan 0.000 0.507 392 I N -0.186 120.362 120.570 -0.035 0.000 2.685 392 I HA 0.326 4.496 4.170 0.001 0.000 0.289 392 I C -2.075 173.987 176.117 -0.091 0.000 1.292 392 I CA -0.893 60.383 61.300 -0.040 0.000 1.050 392 I CB 1.935 39.941 38.000 0.009 0.000 1.301 392 I HN -0.310 nan 8.210 nan 0.000 0.425 393 V N 7.016 126.847 119.914 -0.138 0.000 2.409 393 V HA 0.854 4.974 4.120 0.001 0.000 0.291 393 V C 0.083 175.949 176.094 -0.380 0.000 1.020 393 V CA -0.320 61.819 62.300 -0.268 0.000 0.848 393 V CB 1.412 33.051 31.823 -0.307 0.000 0.990 393 V HN 0.808 nan 8.190 nan 0.000 0.430 394 A N 5.147 127.727 122.820 -0.399 0.000 2.355 394 A HA 0.931 5.251 4.320 0.001 0.000 0.317 394 A C -1.111 176.213 177.584 -0.432 0.000 1.094 394 A CA -0.426 51.407 52.037 -0.340 0.000 0.764 394 A CB 1.006 19.955 19.000 -0.085 0.000 1.230 394 A HN 0.635 nan 8.150 nan 0.000 0.448 395 F N 0.889 120.809 119.950 -0.050 0.000 2.523 395 F HA 0.624 5.151 4.527 0.001 0.000 0.329 395 F C 0.077 175.805 175.800 -0.120 0.000 1.061 395 F CA -0.840 57.120 58.000 -0.066 0.000 0.967 395 F CB 1.779 40.751 39.000 -0.048 0.000 1.218 395 F HN 0.298 nan 8.300 nan 0.000 0.480 396 L N 2.350 123.635 121.223 0.104 0.000 2.341 396 L HA 0.486 4.827 4.340 0.001 0.000 0.278 396 L C -1.235 175.688 176.870 0.087 0.000 1.005 396 L CA -0.821 53.997 54.840 -0.037 0.000 0.818 396 L CB 1.804 43.762 42.059 -0.169 0.000 1.259 396 L HN 0.630 nan 8.230 nan 0.000 0.418 410 N N 3.257 121.973 118.700 0.025 0.000 2.597 410 N HA 0.075 4.815 4.740 0.001 0.000 0.269 410 N C 0.010 175.568 175.510 0.081 0.000 1.204 410 N CA -0.173 52.909 53.050 0.052 0.000 0.947 410 N CB 0.380 38.896 38.487 0.048 0.000 1.258 410 N HN 0.474 nan 8.380 nan 0.000 0.508 411 I N 0.440 121.042 120.570 0.053 0.000 2.412 411 I HA 0.359 4.530 4.170 0.001 0.000 0.296 411 I C -0.695 175.448 176.117 0.043 0.000 0.987 411 I CA -0.913 60.427 61.300 0.066 0.000 1.180 411 I CB 1.494 39.523 38.000 0.048 0.000 1.340 411 I HN -0.020 nan 8.210 nan 0.000 0.455 412 I N 6.735 127.354 120.570 0.082 0.000 2.693 412 I HA 0.417 4.588 4.170 0.001 0.000 0.303 412 I C -0.664 175.467 176.117 0.024 0.000 1.025 412 I CA -0.505 60.821 61.300 0.044 0.000 1.086 412 I CB 2.075 40.161 38.000 0.144 0.000 1.268 412 I HN 0.636 nan 8.210 nan 0.000 0.440 413 E N 6.293 126.498 120.200 0.008 0.000 2.183 413 E HA 0.465 4.815 4.350 0.001 0.000 0.271 413 E C -0.996 175.580 176.600 -0.040 0.000 0.919 413 E CA -0.606 55.811 56.400 0.028 0.000 0.781 413 E CB 2.575 32.354 29.700 0.132 0.000 1.140 413 E HN 0.381 nan 8.360 nan 0.000 0.402 414 I N 4.575 125.095 120.570 -0.084 0.000 2.371 414 I HA 0.269 4.440 4.170 0.001 0.000 0.282 414 I C -0.364 175.728 176.117 -0.042 0.000 1.031 414 I CA -0.387 60.824 61.300 -0.150 0.000 1.180 414 I CB 0.571 38.430 38.000 -0.234 0.000 1.336 414 I HN 0.356 nan 8.210 nan 0.000 0.467 415 I N 7.169 127.746 120.570 0.012 0.000 2.301 415 I HA 0.260 4.430 4.170 0.001 0.000 0.292 415 I C 0.170 176.295 176.117 0.014 0.000 1.046 415 I CA -0.280 61.054 61.300 0.057 0.000 1.282 415 I CB 0.805 38.889 38.000 0.141 0.000 1.409 415 I HN 0.442 nan 8.210 nan 0.000 0.484 416 I N 6.508 127.077 120.570 -0.002 0.000 2.260 416 I HA 0.140 4.311 4.170 0.001 0.000 0.297 416 I C 1.410 177.509 176.117 -0.031 0.000 1.143 416 I CA 0.104 61.385 61.300 -0.032 0.000 1.271 416 I CB 1.082 39.087 38.000 0.008 0.000 1.461 416 I HN 0.727 nan 8.210 nan 0.000 0.530 417 A N 6.039 128.807 122.820 -0.085 0.000 1.968 417 A HA -0.009 4.312 4.320 0.001 0.000 0.217 417 A C 1.118 178.684 177.584 -0.029 0.000 1.169 417 A CA 1.036 53.060 52.037 -0.021 0.000 0.638 417 A CB 0.136 19.146 19.000 0.016 0.000 0.812 417 A HN 0.613 nan 8.150 nan 0.000 0.446 418 K N -0.320 120.039 120.400 -0.068 0.000 2.513 418 K HA 0.457 4.777 4.320 0.001 0.000 0.251 418 K C -1.670 174.912 176.600 -0.030 0.000 0.939 418 K CA -0.450 55.813 56.287 -0.039 0.000 0.793 418 K CB 1.301 33.775 32.500 -0.045 0.000 1.241 418 K HN 0.290 nan 8.250 nan 0.000 0.431 419 Q N 4.266 124.062 119.800 -0.007 0.000 2.268 419 Q HA 0.297 4.637 4.340 0.001 0.000 0.266 419 Q C -0.149 175.857 176.000 0.010 0.000 1.006 419 Q CA -0.593 55.215 55.803 0.008 0.000 0.824 419 Q CB 1.621 30.373 28.738 0.024 0.000 1.306 419 Q HN 0.712 nan 8.270 nan 0.000 0.424 420 R N 1.818 122.325 120.500 0.011 0.000 2.090 420 R HA -0.010 4.330 4.340 0.001 0.000 0.228 420 R C 0.185 176.493 176.300 0.013 0.000 1.110 420 R CA 1.034 57.140 56.100 0.010 0.000 0.973 420 R CB 0.235 30.539 30.300 0.008 0.000 0.869 420 R HN 0.443 nan 8.270 nan 0.000 0.440 421 N N 0.152 118.863 118.700 0.018 0.000 2.813 421 N HA 0.216 4.957 4.740 0.001 0.000 0.282 421 N C -1.360 174.162 175.510 0.021 0.000 1.748 421 N CA -0.012 53.049 53.050 0.018 0.000 0.860 421 N CB 1.135 39.633 38.487 0.019 0.000 1.204 421 N HN 0.278 nan 8.380 nan 0.000 0.490 422 G N 0.954 109.765 108.800 0.019 0.000 2.316 422 G HA2 0.199 4.160 3.960 0.001 0.000 0.296 422 G HA3 0.199 4.160 3.960 0.001 0.000 0.296 422 G C -3.136 171.774 174.900 0.017 0.000 1.399 422 G CA -0.857 44.255 45.100 0.019 0.000 0.833 422 G HN 0.112 nan 8.290 nan 0.000 0.565 423 P HA 0.486 nan 4.420 nan 0.000 0.274 423 P C -0.662 176.647 177.300 0.015 0.000 1.264 423 P CA -0.264 62.844 63.100 0.015 0.000 0.795 423 P CB 1.095 32.803 31.700 0.015 0.000 1.064 424 V N -0.345 119.578 119.914 0.014 0.000 2.569 424 V HA 0.723 4.844 4.120 0.001 0.000 0.301 424 V C 0.518 176.622 176.094 0.015 0.000 1.044 424 V CA 0.153 62.462 62.300 0.014 0.000 0.874 424 V CB 1.233 33.063 31.823 0.012 0.000 1.002 424 V HN 1.077 nan 8.190 nan 0.000 0.424 425 G N 3.161 111.971 108.800 0.017 0.000 2.490 425 G HA2 0.560 4.520 3.960 0.001 0.000 0.308 425 G HA3 0.560 4.520 3.960 0.001 0.000 0.308 425 G C -1.065 173.847 174.900 0.021 0.000 1.286 425 G CA -0.340 44.771 45.100 0.018 0.000 0.825 425 G HN 0.448 nan 8.290 nan 0.000 0.479 426 T N 0.362 114.928 114.554 0.021 0.000 2.779 426 T HA 0.608 4.959 4.350 0.001 0.000 0.280 426 T C -0.511 174.201 174.700 0.020 0.000 0.987 426 T CA -0.306 61.807 62.100 0.022 0.000 0.966 426 T CB 1.717 70.601 68.868 0.027 0.000 0.933 426 T HN 0.461 nan 8.240 nan 0.000 0.442 427 V N 3.531 123.453 119.914 0.012 0.000 2.483 427 V HA 0.456 4.576 4.120 0.001 0.000 0.295 427 V C -0.120 175.975 176.094 0.002 0.000 1.035 427 V CA -0.735 61.573 62.300 0.013 0.000 0.896 427 V CB 1.852 33.686 31.823 0.018 0.000 0.986 427 V HN 0.806 nan 8.190 nan 0.000 0.447 428 Q N 3.697 123.509 119.800 0.019 0.000 2.322 428 Q HA 0.727 5.067 4.340 0.001 0.000 0.265 428 Q C -1.583 174.441 176.000 0.040 0.000 0.985 428 Q CA -0.411 55.408 55.803 0.026 0.000 0.849 428 Q CB 1.750 30.512 28.738 0.039 0.000 1.274 428 Q HN 0.645 nan 8.270 nan 0.000 0.449 429 L N 1.466 122.717 121.223 0.047 0.000 2.350 429 L HA 0.854 5.195 4.340 0.001 0.000 0.260 429 L C -0.871 176.105 176.870 0.176 0.000 1.015 429 L CA -1.169 53.732 54.840 0.102 0.000 0.821 429 L CB 2.140 44.226 42.059 0.044 0.000 1.370 429 L HN 0.646 nan 8.230 nan 0.000 0.416 430 A N 1.372 124.309 122.820 0.194 0.000 2.305 430 A HA 0.650 4.971 4.320 0.001 0.000 0.322 430 A C -1.324 176.374 177.584 0.189 0.000 1.187 430 A CA -0.251 51.888 52.037 0.170 0.000 0.825 430 A CB 0.773 19.838 19.000 0.109 0.000 1.164 430 A HN 0.489 nan 8.150 nan 0.000 0.498 431 F N 3.098 123.005 119.950 -0.072 0.000 2.444 431 F HA 0.671 5.198 4.527 0.001 0.000 0.342 431 F C -0.581 175.109 175.800 -0.183 0.000 1.121 431 F CA -1.033 56.779 58.000 -0.312 0.000 0.997 431 F CB 1.117 39.835 39.000 -0.471 0.000 1.130 431 F HN 0.435 nan 8.300 nan 0.000 0.454 432 I N 7.528 127.621 120.570 -0.796 0.000 2.328 432 I HA 0.271 4.442 4.170 0.001 0.000 0.287 432 I C 0.673 176.270 176.117 -0.866 0.000 1.012 432 I CA -0.534 60.432 61.300 -0.556 0.000 1.195 432 I CB 1.602 39.499 38.000 -0.172 0.000 1.350 432 I HN 0.683 nan 8.210 nan 0.000 0.464 433 K N 3.502 123.549 120.400 -0.587 0.000 2.148 433 K HA -0.129 4.191 4.320 0.001 0.000 0.204 433 K C 1.271 177.679 176.600 -0.320 0.000 1.050 433 K CA 1.283 57.335 56.287 -0.392 0.000 0.942 433 K CB 0.122 32.567 32.500 -0.091 0.000 0.724 433 K HN 0.544 nan 8.250 nan 0.000 0.446 434 E N -0.159 119.801 120.200 -0.400 0.000 2.106 434 E HA -0.145 4.205 4.350 0.001 0.000 0.192 434 E C 1.122 177.410 176.600 -0.521 0.000 0.984 434 E CA 1.305 57.404 56.400 -0.502 0.000 0.806 434 E CB -0.050 29.215 29.700 -0.724 0.000 0.750 434 E HN 0.447 nan 8.360 nan 0.000 0.458 435 Y N -1.071 119.119 120.300 -0.183 0.000 2.458 435 Y HA 0.237 4.787 4.550 0.001 0.000 0.254 435 Y C 0.460 176.262 175.900 -0.163 0.000 1.120 435 Y CA -0.148 57.865 58.100 -0.146 0.000 1.282 435 Y CB 0.335 38.719 38.460 -0.127 0.000 1.109 435 Y HN -0.103 nan 8.280 nan 0.000 0.526 436 N N 1.145 119.732 118.700 -0.188 0.000 2.783 436 N HA -0.208 4.533 4.740 0.001 0.000 0.247 436 N C -0.918 174.519 175.510 -0.121 0.000 1.089 436 N CA 0.452 53.394 53.050 -0.179 0.000 0.690 436 N CB -0.691 37.819 38.487 0.038 0.000 0.991 436 N HN 0.295 nan 8.380 nan 0.000 0.552 437 K N 0.013 120.226 120.400 -0.311 0.000 2.328 437 K HA 0.493 4.814 4.320 0.001 0.000 0.246 437 K C -0.791 175.705 176.600 -0.173 0.000 0.955 437 K CA -0.614 55.633 56.287 -0.066 0.000 0.817 437 K CB 0.935 33.448 32.500 0.022 0.000 1.208 437 K HN 0.011 nan 8.250 nan 0.000 0.432 438 F N 1.225 121.343 119.950 0.280 0.000 2.458 438 F HA 0.388 4.916 4.527 0.001 0.000 0.336 438 F C -0.015 175.997 175.800 0.354 0.000 1.114 438 F CA -0.729 57.442 58.000 0.285 0.000 0.987 438 F CB 1.661 40.768 39.000 0.179 0.000 1.130 438 F HN 0.009 nan 8.300 nan 0.000 0.458 439 V N 2.500 122.651 119.914 0.396 0.000 3.001 439 V HA 0.399 4.519 4.120 0.001 0.000 0.314 439 V C -0.118 176.159 176.094 0.305 0.000 1.099 439 V CA -1.251 61.252 62.300 0.340 0.000 0.989 439 V CB 1.962 33.891 31.823 0.177 0.000 1.040 439 V HN 0.622 nan 8.190 nan 0.000 0.434 440 N N 0.591 119.458 118.700 0.279 0.000 2.263 440 N HA 0.469 5.210 4.740 0.001 0.000 0.239 440 N C -0.514 175.079 175.510 0.138 0.000 1.317 440 N CA -0.091 53.087 53.050 0.214 0.000 0.909 440 N CB 0.441 39.032 38.487 0.173 0.000 1.171 440 N HN 0.498 nan 8.380 nan 0.000 0.492 441 L N 0.000 121.288 121.223 0.108 0.000 2.949 441 L HA 0.000 4.340 4.340 0.001 0.000 0.249 441 L CA 0.000 54.888 54.840 0.080 0.000 0.813 441 L CB 0.000 42.105 42.059 0.076 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502