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 2eua_1_A DATA FIRST_RESID 2 DATA SEQUENCE QSLTTALENL LRHLSQEIPA TPGIRVIDIP FPLKDAFDAL SWLASQQTYP DATA SEQUENCE QFYWQQRNGD EEAVVLGAIT RFTSLDQAQR FLRQHPEHAD LRIWGLNAFD DATA SEQUENCE PSQGNLLLPR LEWRRCGGKA TLRLTLFSES SLQHDAIQAK EFIATLVSIK DATA SEQUENCE PLPGLHLTTT REQHWPDKTG WTQLIELATK TIAEGELDKV VLARATDLHF DATA SEQUENCE ASPVNAAAMM AASRRLNLNC YHFYMAFDGE NAFLGSSPER LWRRRDKALR DATA SEQUENCE TEALAGTVAN NPDDKQAQQL GEWLMADDKN QRENMLVVED ICQRLQADTQ DATA SEQUENCE TLDVLPPQVL RLRKVQHLRR CIWTSLNKAD DVICLHQLQP TAAVAGLPRD DATA SEQUENCE LARQFIARHE PFTREWYAGS AGYLSLQQSE FCVSLRSAKI SGNVVRLYAG DATA SEQUENCE AGIVRGSDPE QEWQEIDNKA AGLRTLLQ 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.919 176.000 -0.135 0.000 1.003 2 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 2 Q CB 0.000 28.721 28.738 -0.028 0.000 1.108 3 S N 0.940 116.515 115.700 -0.207 0.000 2.428 3 S HA 0.067 4.546 4.470 0.015 0.000 0.230 3 S C 1.899 176.102 174.600 -0.662 0.000 1.014 3 S CA 1.238 59.172 58.200 -0.443 0.000 0.957 3 S CB -0.015 62.859 63.200 -0.544 0.000 0.784 3 S HN 0.616 nan 8.310 nan 0.000 0.499 4 L N 2.138 123.096 121.223 -0.441 0.000 2.044 4 L HA -0.018 4.331 4.340 0.015 0.000 0.205 4 L C 2.241 179.014 176.870 -0.162 0.000 1.075 4 L CA 1.832 56.499 54.840 -0.289 0.000 0.747 4 L CB -1.457 40.502 42.059 -0.166 0.000 0.903 4 L HN 0.134 nan 8.230 nan 0.000 0.435 5 T N -0.733 113.759 114.554 -0.103 0.000 2.699 5 T HA -0.218 4.141 4.350 0.015 0.000 0.268 5 T C 1.721 176.378 174.700 -0.072 0.000 1.036 5 T CA 2.136 64.204 62.100 -0.054 0.000 1.147 5 T CB -0.537 68.312 68.868 -0.032 0.000 0.862 5 T HN 0.469 nan 8.240 nan 0.000 0.446 6 T N 1.601 116.081 114.554 -0.123 0.000 2.777 6 T HA 0.052 4.411 4.350 0.015 0.000 0.266 6 T C 2.393 177.030 174.700 -0.105 0.000 1.040 6 T CA 1.074 63.106 62.100 -0.113 0.000 1.141 6 T CB -0.499 68.283 68.868 -0.145 0.000 0.868 6 T HN 0.435 nan 8.240 nan 0.000 0.444 7 A N 1.189 123.911 122.820 -0.162 0.000 1.933 7 A HA 0.023 4.352 4.320 0.015 0.000 0.218 7 A C 2.272 179.845 177.584 -0.018 0.000 1.175 7 A CA 1.152 53.130 52.037 -0.098 0.000 0.628 7 A CB -0.793 18.138 19.000 -0.114 0.000 0.814 7 A HN 0.475 nan 8.150 nan 0.000 0.444 8 L N -0.850 120.366 121.223 -0.012 0.000 2.093 8 L HA -0.183 4.166 4.340 0.015 0.000 0.208 8 L C 2.551 179.442 176.870 0.035 0.000 1.085 8 L CA 1.505 56.363 54.840 0.030 0.000 0.755 8 L CB -0.617 41.465 42.059 0.038 0.000 0.904 8 L HN 0.463 nan 8.230 nan 0.000 0.435 9 E N -0.039 120.170 120.200 0.015 0.000 2.110 9 E HA -0.239 4.120 4.350 0.015 0.000 0.193 9 E C 1.831 178.458 176.600 0.044 0.000 0.988 9 E CA 1.142 57.556 56.400 0.022 0.000 0.804 9 E CB -0.124 29.578 29.700 0.003 0.000 0.745 9 E HN 0.363 nan 8.360 nan 0.000 0.458 10 N N 0.971 119.699 118.700 0.046 0.000 2.188 10 N HA -0.098 4.652 4.740 0.015 0.000 0.184 10 N C 1.754 177.368 175.510 0.174 0.000 1.018 10 N CA 0.758 53.867 53.050 0.098 0.000 0.858 10 N CB -0.120 38.408 38.487 0.069 0.000 0.989 10 N HN 0.119 nan 8.380 nan 0.000 0.426 11 L N 0.303 121.583 121.223 0.096 0.000 2.042 11 L HA -0.153 4.196 4.340 0.015 0.000 0.210 11 L C 2.147 179.097 176.870 0.133 0.000 1.076 11 L CA 0.889 55.782 54.840 0.087 0.000 0.749 11 L CB -0.396 41.705 42.059 0.069 0.000 0.893 11 L HN 0.232 nan 8.230 nan 0.000 0.432 12 L N -0.975 120.311 121.223 0.106 0.000 2.191 12 L HA -0.195 4.154 4.340 0.015 0.000 0.212 12 L C 2.686 179.607 176.870 0.086 0.000 1.103 12 L CA 0.987 55.880 54.840 0.088 0.000 0.769 12 L CB -0.416 41.681 42.059 0.062 0.000 0.908 12 L HN 0.227 nan 8.230 nan 0.000 0.438 13 R N -1.354 119.206 120.500 0.100 0.000 2.100 13 R HA -0.052 4.297 4.340 0.015 0.000 0.220 13 R C 2.293 178.611 176.300 0.029 0.000 1.091 13 R CA 0.597 56.726 56.100 0.048 0.000 0.986 13 R CB -0.140 30.169 30.300 0.015 0.000 0.888 13 R HN 0.452 nan 8.270 nan 0.000 0.444 14 H N 0.442 119.526 119.070 0.023 0.000 2.387 14 H HA -0.091 4.475 4.556 0.015 0.000 0.299 14 H C 1.991 177.335 175.328 0.028 0.000 1.090 14 H CA 1.197 57.261 56.048 0.026 0.000 1.332 14 H CB 0.138 29.920 29.762 0.032 0.000 1.386 14 H HN 0.164 nan 8.280 nan 0.000 0.516 15 L N 0.068 121.384 121.223 0.155 0.000 2.478 15 L HA -0.050 4.299 4.340 0.015 0.000 0.223 15 L C 1.923 178.826 176.870 0.056 0.000 1.140 15 L CA 0.348 55.246 54.840 0.097 0.000 0.842 15 L CB 0.094 42.209 42.059 0.093 0.000 0.953 15 L HN 0.076 nan 8.230 nan 0.000 0.452 16 S N -1.206 114.519 115.700 0.042 0.000 2.517 16 S HA 0.013 4.492 4.470 0.015 0.000 0.214 16 S C 0.955 175.556 174.600 0.002 0.000 0.991 16 S CA -0.209 58.001 58.200 0.017 0.000 0.906 16 S CB 0.104 63.311 63.200 0.013 0.000 0.789 16 S HN 0.506 nan 8.310 nan 0.000 0.513 17 Q N 1.376 121.175 119.800 -0.001 0.000 2.306 17 Q HA 0.252 4.601 4.340 0.015 0.000 0.175 17 Q C 0.737 176.737 176.000 -0.001 0.000 1.107 17 Q CA -0.475 55.321 55.803 -0.013 0.000 1.170 17 Q CB 0.138 28.853 28.738 -0.037 0.000 1.376 17 Q HN -0.116 nan 8.270 nan 0.000 0.618 18 E N 0.250 120.449 120.200 -0.000 0.000 1.987 18 E HA -0.134 4.225 4.350 0.015 0.000 0.214 18 E C 0.495 177.100 176.600 0.009 0.000 1.012 18 E CA 1.235 57.638 56.400 0.005 0.000 0.881 18 E CB -0.442 29.263 29.700 0.008 0.000 0.806 18 E HN 0.613 nan 8.360 nan 0.000 0.516 19 I N 0.479 121.061 120.570 0.020 0.000 8.342 19 I HA -0.187 3.992 4.170 0.015 0.000 0.126 19 I C -2.385 173.744 176.117 0.020 0.000 1.849 19 I CA -0.363 60.952 61.300 0.025 0.000 2.049 19 I CB -1.755 36.259 38.000 0.024 0.000 3.803 19 I HN 0.129 nan 8.210 nan 0.000 0.173 20 P HA 0.416 nan 4.420 nan 0.000 0.281 20 P C -0.033 177.295 177.300 0.046 0.000 1.249 20 P CA -0.489 62.630 63.100 0.032 0.000 0.810 20 P CB 1.163 32.881 31.700 0.030 0.000 1.008 21 A N 1.456 124.313 122.820 0.061 0.000 3.118 21 A HA 0.449 4.778 4.320 0.015 0.000 0.256 21 A C 0.484 178.106 177.584 0.063 0.000 1.667 21 A CA 0.061 52.162 52.037 0.107 0.000 1.338 21 A CB -1.475 17.612 19.000 0.146 0.000 1.127 21 A HN 0.618 nan 8.150 nan 0.000 0.634 22 T N -2.027 112.551 114.554 0.040 0.000 2.896 22 T HA 0.708 5.067 4.350 0.015 0.000 0.297 22 T C -3.374 171.322 174.700 -0.006 0.000 1.108 22 T CA -2.161 59.948 62.100 0.015 0.000 1.004 22 T CB 2.175 71.053 68.868 0.017 0.000 1.159 22 T HN 0.066 nan 8.240 nan 0.000 0.499 23 P HA 0.527 nan 4.420 nan 0.000 0.269 23 P C 0.561 177.834 177.300 -0.046 0.000 1.217 23 P CA 0.640 63.702 63.100 -0.064 0.000 0.783 23 P CB 0.459 32.130 31.700 -0.050 0.000 0.898 24 G N 0.468 109.209 108.800 -0.097 0.000 2.332 24 G HA2 0.263 4.232 3.960 0.015 0.000 0.265 24 G HA3 0.263 4.232 3.960 0.015 0.000 0.265 24 G C -2.073 172.821 174.900 -0.010 0.000 1.329 24 G CA -0.460 44.635 45.100 -0.008 0.000 0.949 24 G HN 0.668 nan 8.290 nan 0.000 0.476 25 I N -0.101 120.527 120.570 0.096 0.000 2.656 25 I HA 0.780 4.959 4.170 0.015 0.000 0.292 25 I C -1.012 175.152 176.117 0.077 0.000 1.144 25 I CA -1.083 60.284 61.300 0.112 0.000 1.038 25 I CB 1.807 39.862 38.000 0.091 0.000 1.244 25 I HN 0.571 nan 8.210 nan 0.000 0.420 26 R N 5.778 126.300 120.500 0.036 0.000 2.686 26 R HA 0.658 5.007 4.340 0.015 0.000 0.283 26 R C -1.683 174.586 176.300 -0.052 0.000 0.978 26 R CA -0.878 55.237 56.100 0.025 0.000 0.897 26 R CB 2.299 32.635 30.300 0.061 0.000 1.192 26 R HN 0.380 nan 8.270 nan 0.000 0.457 27 V N 4.604 124.479 119.914 -0.065 0.000 2.407 27 V HA 0.470 4.599 4.120 0.015 0.000 0.291 27 V C 0.066 176.156 176.094 -0.007 0.000 1.018 27 V CA -0.625 61.628 62.300 -0.077 0.000 0.842 27 V CB 1.716 33.440 31.823 -0.164 0.000 0.996 27 V HN 0.554 nan 8.190 nan 0.000 0.426 28 I N 4.250 124.801 120.570 -0.032 0.000 2.330 28 I HA 0.405 4.584 4.170 0.015 0.000 0.286 28 I C -0.692 175.362 176.117 -0.104 0.000 1.025 28 I CA -0.350 60.893 61.300 -0.095 0.000 1.197 28 I CB 1.255 39.173 38.000 -0.137 0.000 1.358 28 I HN 0.461 nan 8.210 nan 0.000 0.467 29 D N 7.575 127.918 120.400 -0.095 0.000 2.329 29 D HA 0.403 5.052 4.640 0.015 0.000 0.232 29 D C -0.285 175.966 176.300 -0.081 0.000 1.088 29 D CA -0.174 53.789 54.000 -0.061 0.000 0.835 29 D CB 2.000 42.787 40.800 -0.023 0.000 1.078 29 D HN 0.157 nan 8.370 nan 0.000 0.495 30 I N 4.484 125.018 120.570 -0.060 0.000 2.362 30 I HA 0.234 4.413 4.170 0.015 0.000 0.289 30 I C -2.161 173.959 176.117 0.004 0.000 0.994 30 I CA -2.927 58.350 61.300 -0.038 0.000 1.158 30 I CB 1.256 39.237 38.000 -0.033 0.000 1.315 30 I HN -0.037 nan 8.210 nan 0.000 0.451 31 P HA 0.002 nan 4.420 nan 0.000 0.264 31 P C -0.816 176.503 177.300 0.032 0.000 1.183 31 P CA 0.180 63.285 63.100 0.008 0.000 0.763 31 P CB 0.370 32.065 31.700 -0.008 0.000 0.807 32 F N 6.160 126.050 119.950 -0.100 0.000 2.366 32 F HA 0.381 4.917 4.527 0.015 0.000 0.366 32 F C -2.191 173.573 175.800 -0.060 0.000 1.096 32 F CA -2.989 54.958 58.000 -0.089 0.000 1.060 32 F CB 1.286 40.227 39.000 -0.097 0.000 1.282 32 F HN 0.135 nan 8.300 nan 0.000 0.450 33 P HA 0.083 nan 4.420 nan 0.000 0.271 33 P C -0.008 177.347 177.300 0.091 0.000 1.216 33 P CA 0.056 63.136 63.100 -0.034 0.000 0.771 33 P CB 1.401 33.033 31.700 -0.112 0.000 0.864 34 L N 2.695 124.002 121.223 0.141 0.000 2.912 34 L HA 0.131 4.480 4.340 0.015 0.000 0.240 34 L C 1.966 178.910 176.870 0.124 0.000 1.262 34 L CA -0.169 54.790 54.840 0.197 0.000 1.058 34 L CB -0.175 42.000 42.059 0.195 0.000 1.383 34 L HN 0.416 nan 8.230 nan 0.000 0.512 35 K N 1.848 122.291 120.400 0.072 0.000 2.520 35 K HA -0.154 4.175 4.320 0.015 0.000 0.198 35 K C 0.450 177.097 176.600 0.079 0.000 1.045 35 K CA 1.319 57.637 56.287 0.051 0.000 0.934 35 K CB -0.732 31.779 32.500 0.017 0.000 0.766 35 K HN 0.616 nan 8.250 nan 0.000 0.483 36 D N -3.062 117.418 120.400 0.133 0.000 10.869 36 D HA -0.032 4.617 4.640 0.015 0.000 0.365 36 D C 0.441 176.827 176.300 0.144 0.000 3.075 36 D CA 1.437 55.542 54.000 0.176 0.000 2.532 36 D CB -1.476 39.411 40.800 0.146 0.000 1.131 36 D HN 0.888 nan 8.370 nan 0.000 0.972 37 A N -1.754 121.161 122.820 0.158 0.000 4.016 37 A HA 0.248 4.577 4.320 0.015 0.000 0.174 37 A C 0.484 178.160 177.584 0.153 0.000 1.860 37 A CA 0.849 52.956 52.037 0.117 0.000 1.697 37 A CB -1.179 17.881 19.000 0.099 0.000 0.432 37 A HN 2.197 nan 8.150 nan 0.000 0.579 38 F N 2.710 122.679 119.950 0.032 0.000 2.406 38 F HA 0.534 5.071 4.527 0.015 0.000 0.358 38 F C 0.189 175.902 175.800 -0.145 0.000 1.161 38 F CA -0.968 57.003 58.000 -0.048 0.000 1.185 38 F CB 0.399 39.399 39.000 0.000 0.000 1.421 38 F HN 0.186 nan 8.300 nan 0.000 0.576 39 D N 4.712 124.786 120.400 -0.544 0.000 2.402 39 D HA 0.240 4.889 4.640 0.015 0.000 0.235 39 D C 1.087 176.825 176.300 -0.936 0.000 1.226 39 D CA 0.291 53.961 54.000 -0.549 0.000 0.918 39 D CB 1.133 41.725 40.800 -0.347 0.000 1.043 39 D HN 0.595 nan 8.370 nan 0.000 0.506 40 A N 4.850 127.056 122.820 -1.024 0.000 1.883 40 A HA -0.178 4.151 4.320 0.015 0.000 0.217 40 A C 2.225 179.556 177.584 -0.421 0.000 1.186 40 A CA 0.885 52.340 52.037 -0.969 0.000 0.624 40 A CB -0.668 17.875 19.000 -0.761 0.000 0.822 40 A HN 0.698 nan 8.150 nan 0.000 0.444 41 L N 0.422 121.388 121.223 -0.429 0.000 1.990 41 L HA -0.244 4.105 4.340 0.015 0.000 0.213 41 L C 2.841 179.460 176.870 -0.419 0.000 1.072 41 L CA 2.532 57.042 54.840 -0.549 0.000 0.755 41 L CB -0.410 41.150 42.059 -0.831 0.000 0.889 41 L HN 0.618 nan 8.230 nan 0.000 0.432 42 S N -2.075 113.393 115.700 -0.386 0.000 2.489 42 S HA -0.205 4.274 4.470 0.015 0.000 0.228 42 S C 1.515 175.967 174.600 -0.247 0.000 0.995 42 S CA 0.471 58.485 58.200 -0.310 0.000 0.934 42 S CB -0.794 62.243 63.200 -0.271 0.000 0.771 42 S HN 0.682 nan 8.310 nan 0.000 0.522 43 W N 2.241 123.282 121.300 -0.432 0.000 2.355 43 W HA 0.046 4.717 4.660 0.018 0.000 0.309 43 W C 1.891 178.277 176.519 -0.222 0.000 1.206 43 W CA 0.915 58.060 57.345 -0.333 0.000 1.284 43 W CB -0.422 28.774 29.460 -0.440 0.000 1.145 43 W HN 0.240 nan 8.180 nan 0.000 0.502 44 L N 1.056 122.113 121.223 -0.278 0.000 2.017 44 L HA -0.143 4.206 4.340 0.015 0.000 0.208 44 L C 2.301 178.932 176.870 -0.400 0.000 1.073 44 L CA 2.301 56.895 54.840 -0.409 0.000 0.745 44 L CB -1.409 40.627 42.059 -0.038 0.000 0.894 44 L HN 0.178 nan 8.230 nan 0.000 0.432 45 A N -1.218 121.419 122.820 -0.304 0.000 2.019 45 A HA -0.156 4.173 4.320 0.015 0.000 0.219 45 A C 2.300 179.732 177.584 -0.253 0.000 1.164 45 A CA 1.692 53.589 52.037 -0.233 0.000 0.644 45 A CB -0.452 18.390 19.000 -0.264 0.000 0.805 45 A HN 0.518 nan 8.150 nan 0.000 0.449 46 S N -0.179 115.315 115.700 -0.342 0.000 2.481 46 S HA -0.003 4.476 4.470 0.015 0.000 0.231 46 S C 0.893 175.275 174.600 -0.363 0.000 0.996 46 S CA 0.346 58.358 58.200 -0.313 0.000 0.942 46 S CB -0.120 62.894 63.200 -0.310 0.000 0.768 46 S HN 0.593 nan 8.310 nan 0.000 0.520 47 Q N 0.173 119.671 119.800 -0.504 0.000 2.317 47 Q HA 0.490 4.839 4.340 0.015 0.000 0.229 47 Q C 0.866 176.579 176.000 -0.479 0.000 0.984 47 Q CA 0.022 55.513 55.803 -0.520 0.000 0.911 47 Q CB 0.454 28.785 28.738 -0.678 0.000 1.217 47 Q HN 0.363 nan 8.270 nan 0.000 0.501 48 Q N -0.067 119.491 119.800 -0.404 0.000 2.189 48 Q HA 0.182 4.531 4.340 0.015 0.000 0.223 48 Q C 0.263 176.075 176.000 -0.314 0.000 0.828 48 Q CA 0.194 55.795 55.803 -0.337 0.000 0.967 48 Q CB 0.520 29.187 28.738 -0.119 0.000 1.139 48 Q HN 0.562 nan 8.270 nan 0.000 0.497 49 T N -0.207 114.153 114.554 -0.323 0.000 2.889 49 T HA 0.482 4.842 4.350 0.015 0.000 0.291 49 T C -0.338 174.240 174.700 -0.204 0.000 0.995 49 T CA 0.040 62.080 62.100 -0.102 0.000 1.092 49 T CB 0.588 69.519 68.868 0.104 0.000 0.954 49 T HN 0.462 nan 8.240 nan 0.000 0.506 50 Y N 1.477 121.823 120.300 0.076 0.000 2.675 50 Y HA 0.221 4.783 4.550 0.019 0.000 0.248 50 Y C -2.123 173.809 175.900 0.054 0.000 1.161 50 Y CA -1.657 56.476 58.100 0.055 0.000 1.203 50 Y CB 1.156 39.646 38.460 0.051 0.000 1.262 50 Y HN 0.464 nan 8.280 nan 0.000 0.544 51 P HA 0.238 nan 4.420 nan 0.000 0.297 51 P C -1.185 176.185 177.300 0.116 0.000 1.331 51 P CA -0.062 63.131 63.100 0.154 0.000 0.803 51 P CB 1.353 33.112 31.700 0.097 0.000 0.929 52 Q N 2.114 121.976 119.800 0.103 0.000 2.375 52 Q HA 0.680 5.029 4.340 0.015 0.000 0.271 52 Q C -1.517 174.566 176.000 0.138 0.000 1.074 52 Q CA -0.602 55.262 55.803 0.102 0.000 0.808 52 Q CB 2.529 31.321 28.738 0.090 0.000 1.327 52 Q HN 0.367 nan 8.270 nan 0.000 0.441 53 F N 2.106 122.069 119.950 0.021 0.000 2.574 53 F HA 0.456 4.992 4.527 0.014 0.000 0.313 53 F C -1.941 173.969 175.800 0.183 0.000 1.130 53 F CA -0.766 57.267 58.000 0.056 0.000 0.936 53 F CB 1.353 40.363 39.000 0.016 0.000 1.219 53 F HN 0.546 nan 8.300 nan 0.000 0.445 54 Y N 5.609 125.638 120.300 -0.452 0.000 2.409 54 Y HA 0.609 5.168 4.550 0.015 0.000 0.343 54 Y C -2.053 173.653 175.900 -0.323 0.000 0.973 54 Y CA -1.431 56.527 58.100 -0.237 0.000 1.064 54 Y CB 1.507 39.954 38.460 -0.021 0.000 1.207 54 Y HN 0.711 nan 8.280 nan 0.000 0.452 55 W N 6.994 127.703 121.300 -0.984 0.000 3.425 55 W HA 0.490 5.158 4.660 0.014 0.000 0.318 55 W C -2.035 174.164 176.519 -0.533 0.000 1.201 55 W CA -0.500 56.526 57.345 -0.531 0.000 1.212 55 W CB 1.621 31.118 29.460 0.063 0.000 1.355 55 W HN 0.618 nan 8.180 nan 0.000 0.515 56 Q N 4.240 123.570 119.800 -0.783 0.000 2.285 56 Q HA 0.334 4.683 4.340 0.015 0.000 0.269 56 Q C -0.601 174.857 176.000 -0.903 0.000 1.030 56 Q CA -0.799 54.650 55.803 -0.589 0.000 0.788 56 Q CB 2.063 30.650 28.738 -0.251 0.000 1.266 56 Q HN 0.543 nan 8.270 nan 0.000 0.438 57 Q N 2.653 121.947 119.800 -0.844 0.000 2.417 57 Q HA 0.107 4.456 4.340 0.015 0.000 0.241 57 Q C 0.684 176.291 176.000 -0.654 0.000 1.008 57 Q CA 0.130 55.465 55.803 -0.779 0.000 0.901 57 Q CB 0.795 29.355 28.738 -0.297 0.000 1.259 57 Q HN 0.770 nan 8.270 nan 0.000 0.489 58 R N 1.893 121.763 120.500 -1.050 0.000 2.159 58 R HA -0.184 4.165 4.340 0.015 0.000 0.237 58 R C 0.484 176.573 176.300 -0.353 0.000 1.131 58 R CA 1.728 57.389 56.100 -0.732 0.000 0.982 58 R CB -0.595 29.203 30.300 -0.836 0.000 0.868 58 R HN 0.619 nan 8.270 nan 0.000 0.453 59 N N 0.574 119.114 118.700 -0.266 0.000 2.453 59 N HA -0.029 4.720 4.740 0.015 0.000 0.183 59 N C 1.211 176.667 175.510 -0.089 0.000 1.041 59 N CA 1.440 54.413 53.050 -0.128 0.000 0.900 59 N CB 0.088 38.531 38.487 -0.074 0.000 0.961 59 N HN 0.626 nan 8.380 nan 0.000 0.443 60 G N 0.286 109.020 108.800 -0.110 0.000 2.159 60 G HA2 -0.232 3.737 3.960 0.015 0.000 0.256 60 G HA3 -0.232 3.737 3.960 0.015 0.000 0.256 60 G C 0.319 175.212 174.900 -0.012 0.000 0.977 60 G CA 0.451 45.524 45.100 -0.044 0.000 0.652 60 G HN 0.323 nan 8.290 nan 0.000 0.531 61 D N -0.011 120.378 120.400 -0.019 0.000 2.389 61 D HA 0.153 4.802 4.640 0.015 0.000 0.206 61 D C 0.814 177.124 176.300 0.017 0.000 1.055 61 D CA 0.494 54.498 54.000 0.007 0.000 0.856 61 D CB 0.749 41.553 40.800 0.007 0.000 0.957 61 D HN 0.652 nan 8.370 nan 0.000 0.509 62 E N 1.201 121.414 120.200 0.022 0.000 2.185 62 E HA 0.294 4.654 4.350 0.015 0.000 0.261 62 E C -1.197 175.457 176.600 0.089 0.000 0.879 62 E CA -0.346 56.099 56.400 0.075 0.000 0.756 62 E CB 1.636 31.431 29.700 0.159 0.000 1.152 62 E HN -0.140 nan 8.360 nan 0.000 0.416 63 E N 2.988 123.244 120.200 0.093 0.000 2.321 63 E HA 0.670 5.029 4.350 0.015 0.000 0.278 63 E C -2.024 174.652 176.600 0.127 0.000 0.902 63 E CA -0.757 55.705 56.400 0.102 0.000 0.758 63 E CB 1.889 31.688 29.700 0.166 0.000 1.213 63 E HN 0.522 nan 8.360 nan 0.000 0.426 64 A N 2.164 125.033 122.820 0.082 0.000 2.539 64 A HA 0.715 5.044 4.320 0.015 0.000 0.296 64 A C -1.222 176.371 177.584 0.015 0.000 1.073 64 A CA -0.601 51.432 52.037 -0.006 0.000 0.700 64 A CB 1.592 20.319 19.000 -0.455 0.000 1.296 64 A HN 0.496 nan 8.150 nan 0.000 0.405 65 V N -0.198 119.811 119.914 0.158 0.000 2.638 65 V HA 0.882 5.011 4.120 0.015 0.000 0.306 65 V C -0.218 175.917 176.094 0.069 0.000 1.052 65 V CA -0.600 61.796 62.300 0.160 0.000 0.885 65 V CB 0.769 32.798 31.823 0.343 0.000 0.999 65 V HN 1.797 nan 8.190 nan 0.000 0.424 66 V N 3.068 122.988 119.914 0.010 0.000 2.715 66 V HA 0.949 5.078 4.120 0.015 0.000 0.310 66 V C -0.931 175.256 176.094 0.155 0.000 1.054 66 V CA -0.824 61.495 62.300 0.032 0.000 0.928 66 V CB 1.659 33.396 31.823 -0.143 0.000 1.007 66 V HN 1.238 nan 8.190 nan 0.000 0.437 67 L N 4.060 125.398 121.223 0.192 0.000 2.464 67 L HA 0.969 5.319 4.340 0.015 0.000 0.266 67 L C 0.000 176.969 176.870 0.164 0.000 0.965 67 L CA 1.115 56.081 54.840 0.210 0.000 0.833 67 L CB 1.505 43.750 42.059 0.310 0.000 1.296 67 L HN 1.898 nan 8.230 nan 0.000 0.405 68 G N 3.393 112.255 108.800 0.103 0.000 2.767 68 G HA2 0.411 4.380 3.960 0.015 0.000 0.686 68 G HA3 0.411 4.380 3.960 0.015 0.000 0.686 68 G C -0.764 174.099 174.900 -0.061 0.000 1.213 68 G CA -0.322 44.764 45.100 -0.023 0.000 0.803 68 G HN 1.469 nan 8.290 nan 0.000 0.603 69 A N 1.838 124.622 122.820 -0.060 0.000 2.291 69 A HA 0.788 5.117 4.320 0.015 0.000 0.311 69 A C 1.214 178.734 177.584 -0.107 0.000 1.224 69 A CA -0.289 51.705 52.037 -0.072 0.000 0.821 69 A CB 0.797 19.764 19.000 -0.055 0.000 1.172 69 A HN 1.035 nan 8.150 nan 0.000 0.494 70 I N 1.122 121.618 120.570 -0.123 0.000 2.286 70 I HA -0.042 4.137 4.170 0.015 0.000 0.245 70 I C 0.488 176.500 176.117 -0.174 0.000 1.104 70 I CA 1.279 62.515 61.300 -0.106 0.000 1.397 70 I CB 0.129 38.082 38.000 -0.079 0.000 1.072 70 I HN 0.558 nan 8.210 nan 0.000 0.417 71 T N 2.265 116.626 114.554 -0.322 0.000 2.916 71 T HA 0.427 4.787 4.350 0.015 0.000 0.298 71 T C -0.682 173.630 174.700 -0.647 0.000 1.031 71 T CA -0.840 60.926 62.100 -0.558 0.000 0.993 71 T CB 1.943 70.253 68.868 -0.931 0.000 1.045 71 T HN 0.123 nan 8.240 nan 0.000 0.454 72 R N 1.665 121.797 120.500 -0.613 0.000 2.540 72 R HA 0.749 5.098 4.340 0.015 0.000 0.287 72 R C -1.425 174.463 176.300 -0.687 0.000 0.980 72 R CA -0.763 55.065 56.100 -0.454 0.000 0.966 72 R CB 1.047 31.240 30.300 -0.179 0.000 1.106 72 R HN 0.432 nan 8.270 nan 0.000 0.480 73 F N -0.008 119.908 119.950 -0.057 0.000 2.520 73 F HA 0.262 4.799 4.527 0.016 0.000 0.322 73 F C 1.283 177.092 175.800 0.014 0.000 1.103 73 F CA -0.896 57.081 58.000 -0.038 0.000 0.926 73 F CB 2.457 41.423 39.000 -0.055 0.000 1.154 73 F HN 0.663 nan 8.300 nan 0.000 0.453 74 T N -2.594 112.076 114.554 0.194 0.000 3.107 74 T HA 0.269 4.628 4.350 0.015 0.000 0.249 74 T C 0.258 175.052 174.700 0.158 0.000 1.096 74 T CA 0.385 62.579 62.100 0.156 0.000 1.012 74 T CB -0.286 68.645 68.868 0.105 0.000 0.977 74 T HN 0.559 nan 8.240 nan 0.000 0.527 75 S N -0.355 115.445 115.700 0.166 0.000 2.565 75 S HA 0.505 4.984 4.470 0.015 0.000 0.269 75 S C 0.276 174.919 174.600 0.072 0.000 1.153 75 S CA -0.879 57.389 58.200 0.114 0.000 0.835 75 S CB 1.398 64.653 63.200 0.092 0.000 1.122 75 S HN 0.131 nan 8.310 nan 0.000 0.462 76 L N 0.828 122.068 121.223 0.028 0.000 2.179 76 L HA 0.103 4.452 4.340 0.015 0.000 0.208 76 L C 2.113 178.959 176.870 -0.040 0.000 1.096 76 L CA 1.830 56.651 54.840 -0.032 0.000 0.779 76 L CB -0.444 41.570 42.059 -0.075 0.000 0.922 76 L HN 0.967 nan 8.230 nan 0.000 0.443 77 D N -0.184 120.218 120.400 0.002 0.000 2.116 77 D HA -0.313 4.336 4.640 0.015 0.000 0.193 77 D C 2.040 178.324 176.300 -0.026 0.000 0.998 77 D CA 1.766 55.752 54.000 -0.024 0.000 0.836 77 D CB -0.010 40.771 40.800 -0.031 0.000 0.951 77 D HN 0.542 nan 8.370 nan 0.000 0.449 78 Q N -0.343 119.462 119.800 0.009 0.000 2.079 78 Q HA -0.123 4.226 4.340 0.015 0.000 0.200 78 Q C 2.096 178.035 176.000 -0.101 0.000 0.974 78 Q CA 1.527 57.364 55.803 0.057 0.000 0.840 78 Q CB -0.143 28.703 28.738 0.179 0.000 0.898 78 Q HN 0.272 nan 8.270 nan 0.000 0.430 79 A N 0.938 123.547 122.820 -0.351 0.000 1.883 79 A HA -0.300 4.029 4.320 0.015 0.000 0.217 79 A C 2.000 179.348 177.584 -0.393 0.000 1.186 79 A CA 1.865 53.381 52.037 -0.868 0.000 0.624 79 A CB -0.891 17.729 19.000 -0.633 0.000 0.822 79 A HN 0.623 nan 8.150 nan 0.000 0.444 80 Q N -0.628 119.060 119.800 -0.186 0.000 2.084 80 Q HA -0.196 4.153 4.340 0.015 0.000 0.202 80 Q C 2.287 178.259 176.000 -0.047 0.000 0.978 80 Q CA 1.538 57.286 55.803 -0.090 0.000 0.844 80 Q CB -0.141 28.558 28.738 -0.065 0.000 0.898 80 Q HN 0.661 nan 8.270 nan 0.000 0.426 81 R N -0.523 119.962 120.500 -0.026 0.000 2.105 81 R HA -0.174 4.175 4.340 0.015 0.000 0.239 81 R C 2.177 178.511 176.300 0.057 0.000 1.135 81 R CA 1.617 57.725 56.100 0.014 0.000 0.967 81 R CB -0.443 29.880 30.300 0.037 0.000 0.861 81 R HN 0.334 nan 8.270 nan 0.000 0.442 82 F N 1.453 121.372 119.950 -0.052 0.000 2.075 82 F HA -0.169 4.368 4.527 0.016 0.000 0.297 82 F C 1.932 177.761 175.800 0.048 0.000 1.113 82 F CA 1.452 59.466 58.000 0.024 0.000 1.218 82 F CB -0.291 38.736 39.000 0.044 0.000 0.984 82 F HN -0.109 nan 8.300 nan 0.000 0.472 83 L N 0.162 121.405 121.223 0.033 0.000 2.079 83 L HA -0.234 4.115 4.340 0.015 0.000 0.210 83 L C 2.479 179.301 176.870 -0.081 0.000 1.081 83 L CA 1.424 56.252 54.840 -0.020 0.000 0.752 83 L CB -0.703 41.371 42.059 0.026 0.000 0.896 83 L HN 0.106 nan 8.230 nan 0.000 0.433 84 R N -0.332 120.115 120.500 -0.088 0.000 2.293 84 R HA -0.123 4.226 4.340 0.015 0.000 0.219 84 R C 1.801 178.001 176.300 -0.166 0.000 1.091 84 R CA 0.554 56.596 56.100 -0.097 0.000 1.004 84 R CB -0.012 30.245 30.300 -0.072 0.000 0.865 84 R HN 0.403 nan 8.270 nan 0.000 0.469 85 Q N -0.604 119.016 119.800 -0.300 0.000 2.425 85 Q HA 0.022 4.371 4.340 0.015 0.000 0.204 85 Q C -0.084 175.483 176.000 -0.722 0.000 0.933 85 Q CA 0.853 56.363 55.803 -0.489 0.000 0.939 85 Q CB 0.449 28.831 28.738 -0.593 0.000 1.044 85 Q HN 0.497 nan 8.270 nan 0.000 0.513 86 H N -0.118 118.853 119.070 -0.166 0.000 2.439 86 H HA 0.159 4.724 4.556 0.015 0.000 0.230 86 H C -1.635 173.678 175.328 -0.026 0.000 1.420 86 H CA -1.390 54.615 56.048 -0.072 0.000 1.305 86 H CB 0.828 30.545 29.762 -0.075 0.000 1.667 86 H HN -0.002 nan 8.280 nan 0.000 0.515 87 P HA -0.216 nan 4.420 nan 0.000 0.220 87 P C 1.447 178.740 177.300 -0.012 0.000 1.148 87 P CA 1.117 64.214 63.100 -0.004 0.000 0.803 87 P CB 0.560 32.240 31.700 -0.032 0.000 0.782 88 E N 0.234 120.418 120.200 -0.026 0.000 2.333 88 E HA -0.190 4.169 4.350 0.015 0.000 0.198 88 E C 0.101 176.496 176.600 -0.341 0.000 1.007 88 E CA 1.126 57.436 56.400 -0.150 0.000 0.845 88 E CB -0.958 28.649 29.700 -0.154 0.000 0.766 88 E HN 0.436 nan 8.360 nan 0.000 0.507 89 H N 0.115 119.215 119.070 0.050 0.000 2.418 89 H HA 0.484 5.049 4.556 0.016 0.000 0.238 89 H C 0.164 175.509 175.328 0.028 0.000 1.403 89 H CA 0.207 56.278 56.048 0.037 0.000 1.419 89 H CB 1.198 30.983 29.762 0.038 0.000 1.463 89 H HN 0.213 nan 8.280 nan 0.000 0.515 90 A N 1.586 124.452 122.820 0.076 0.000 2.209 90 A HA -0.104 4.225 4.320 0.015 0.000 0.212 90 A C 1.320 178.935 177.584 0.052 0.000 1.158 90 A CA 0.901 52.968 52.037 0.050 0.000 0.742 90 A CB -0.040 18.971 19.000 0.019 0.000 0.790 90 A HN 0.497 nan 8.150 nan 0.000 0.472 91 D N -1.093 119.349 120.400 0.070 0.000 2.501 91 D HA 0.156 4.806 4.640 0.015 0.000 0.226 91 D C -0.006 176.321 176.300 0.045 0.000 1.198 91 D CA -0.457 53.570 54.000 0.046 0.000 0.830 91 D CB -0.412 40.410 40.800 0.037 0.000 1.014 91 D HN 0.187 nan 8.370 nan 0.000 0.496 92 L N 1.459 122.724 121.223 0.069 0.000 2.369 92 L HA 0.309 4.659 4.340 0.015 0.000 0.279 92 L C -0.065 176.814 176.870 0.015 0.000 1.108 92 L CA -0.014 54.856 54.840 0.051 0.000 0.852 92 L CB 0.234 42.334 42.059 0.068 0.000 1.169 92 L HN -0.127 nan 8.230 nan 0.000 0.452 93 R N 5.168 125.660 120.500 -0.013 0.000 2.474 93 R HA 0.614 4.963 4.340 0.015 0.000 0.295 93 R C -0.876 175.339 176.300 -0.142 0.000 0.980 93 R CA -0.646 55.355 56.100 -0.165 0.000 0.934 93 R CB 1.502 31.571 30.300 -0.386 0.000 1.101 93 R HN 0.606 nan 8.270 nan 0.000 0.469 94 I N 1.998 122.414 120.570 -0.256 0.000 2.433 94 I HA 0.308 4.487 4.170 0.015 0.000 0.292 94 I C -0.926 174.990 176.117 -0.334 0.000 1.001 94 I CA -0.502 60.708 61.300 -0.150 0.000 1.119 94 I CB 1.302 39.223 38.000 -0.131 0.000 1.289 94 I HN 0.403 nan 8.210 nan 0.000 0.438 95 W N 4.995 126.208 121.300 -0.146 0.000 2.606 95 W HA 0.749 5.418 4.660 0.015 0.000 0.332 95 W C 0.605 176.755 176.519 -0.615 0.000 1.052 95 W CA 0.108 57.238 57.345 -0.359 0.000 1.223 95 W CB 1.833 31.122 29.460 -0.285 0.000 1.383 95 W HN 0.696 nan 8.180 nan 0.000 0.524 96 G N 0.511 108.911 108.800 -0.666 0.000 2.470 96 G HA2 0.161 4.131 3.960 0.015 0.000 0.145 96 G HA3 0.161 4.131 3.960 0.015 0.000 0.145 96 G C -2.041 172.698 174.900 -0.268 0.000 1.223 96 G CA -1.083 43.517 45.100 -0.834 0.000 1.058 96 G HN 0.407 nan 8.290 nan 0.000 0.469 97 L N 1.211 122.349 121.223 -0.143 0.000 2.381 97 L HA 0.557 4.906 4.340 0.015 0.000 0.268 97 L C -0.848 176.072 176.870 0.082 0.000 0.997 97 L CA -1.110 53.721 54.840 -0.015 0.000 0.818 97 L CB 2.248 44.142 42.059 -0.275 0.000 1.310 97 L HN 0.444 nan 8.230 nan 0.000 0.416 98 N N 1.578 120.365 118.700 0.145 0.000 2.372 98 N HA 0.522 5.271 4.740 0.015 0.000 0.291 98 N C -0.291 175.405 175.510 0.311 0.000 1.024 98 N CA -0.405 52.740 53.050 0.159 0.000 0.873 98 N CB 2.391 40.830 38.487 -0.080 0.000 1.206 98 N HN 0.701 nan 8.380 nan 0.000 0.486 99 A N 1.346 124.379 122.820 0.355 0.000 2.409 99 A HA 0.027 4.356 4.320 0.015 0.000 0.246 99 A C 1.209 178.818 177.584 0.042 0.000 1.099 99 A CA -0.230 51.868 52.037 0.101 0.000 0.789 99 A CB -0.096 18.735 19.000 -0.282 0.000 1.053 99 A HN 0.716 nan 8.150 nan 0.000 0.503 100 F N 0.512 120.379 119.950 -0.139 0.000 2.087 100 F HA -0.175 4.361 4.527 0.015 0.000 0.299 100 F C 1.029 176.755 175.800 -0.124 0.000 1.100 100 F CA 2.194 60.114 58.000 -0.134 0.000 1.226 100 F CB -0.050 38.866 39.000 -0.140 0.000 0.983 100 F HN 0.601 nan 8.300 nan 0.000 0.479 101 D N 1.633 121.909 120.400 -0.207 0.000 2.338 101 D HA 0.071 4.720 4.640 0.015 0.000 0.255 101 D C -1.814 174.359 176.300 -0.212 0.000 1.237 101 D CA -2.218 51.620 54.000 -0.270 0.000 0.883 101 D CB 1.149 41.863 40.800 -0.143 0.000 1.087 101 D HN 0.100 nan 8.370 nan 0.000 0.485 102 P HA -0.098 nan 4.420 nan 0.000 0.233 102 P C 1.125 178.301 177.300 -0.207 0.000 1.167 102 P CA 0.514 63.414 63.100 -0.334 0.000 0.770 102 P CB 0.120 31.436 31.700 -0.640 0.000 0.837 103 S N -2.038 113.621 115.700 -0.068 0.000 2.489 103 S HA -0.022 4.457 4.470 0.015 0.000 0.228 103 S C 1.023 175.650 174.600 0.045 0.000 0.995 103 S CA 0.140 58.391 58.200 0.085 0.000 0.934 103 S CB -0.654 62.616 63.200 0.116 0.000 0.771 103 S HN 0.027 nan 8.310 nan 0.000 0.522 104 Q N 1.224 121.031 119.800 0.012 0.000 2.257 104 Q HA 0.754 5.103 4.340 0.015 0.000 0.255 104 Q C 0.057 176.148 176.000 0.152 0.000 0.920 104 Q CA -0.054 55.780 55.803 0.051 0.000 0.927 104 Q CB 1.339 30.061 28.738 -0.027 0.000 1.229 104 Q HN 0.440 nan 8.270 nan 0.000 0.433 105 G N 1.367 110.307 108.800 0.232 0.000 2.725 105 G HA2 0.482 4.451 3.960 0.015 0.000 0.288 105 G HA3 0.482 4.451 3.960 0.015 0.000 0.288 105 G C -1.135 173.970 174.900 0.341 0.000 1.399 105 G CA -0.533 44.760 45.100 0.321 0.000 0.859 105 G HN 0.449 nan 8.290 nan 0.000 0.479 106 N N 0.046 118.856 118.700 0.182 0.000 2.640 106 N HA 0.424 5.173 4.740 0.015 0.000 0.262 106 N C -1.496 174.013 175.510 -0.003 0.000 1.174 106 N CA -0.226 52.886 53.050 0.103 0.000 0.791 106 N CB 0.945 39.479 38.487 0.078 0.000 1.279 106 N HN 0.347 nan 8.380 nan 0.000 0.535 107 L N 2.188 123.455 121.223 0.074 0.000 2.354 107 L HA 0.683 5.032 4.340 0.015 0.000 0.264 107 L C -0.501 176.461 176.870 0.153 0.000 1.008 107 L CA -0.971 53.905 54.840 0.060 0.000 0.819 107 L CB 2.172 44.295 42.059 0.106 0.000 1.339 107 L HN 0.341 nan 8.230 nan 0.000 0.420 108 L N -0.113 121.177 121.223 0.113 0.000 2.388 108 L HA 0.631 4.980 4.340 0.015 0.000 0.264 108 L C -1.107 175.869 176.870 0.177 0.000 0.998 108 L CA -0.742 54.169 54.840 0.119 0.000 0.817 108 L CB 1.976 44.054 42.059 0.033 0.000 1.338 108 L HN 0.452 nan 8.230 nan 0.000 0.414 109 L N 4.428 125.728 121.223 0.129 0.000 2.342 109 L HA 0.450 4.799 4.340 0.015 0.000 0.285 109 L C -2.089 174.796 176.870 0.025 0.000 1.095 109 L CA -1.445 53.436 54.840 0.069 0.000 0.843 109 L CB 1.280 43.283 42.059 -0.092 0.000 1.201 109 L HN 0.536 nan 8.230 nan 0.000 0.445 110 P HA 0.121 nan 4.420 nan 0.000 0.279 110 P C -0.152 177.143 177.300 -0.009 0.000 1.239 110 P CA -0.514 62.619 63.100 0.055 0.000 0.789 110 P CB 1.324 33.092 31.700 0.114 0.000 0.933 111 R N 2.957 123.399 120.500 -0.095 0.000 2.075 111 R HA 0.037 4.386 4.340 0.015 0.000 0.232 111 R C 0.183 176.442 176.300 -0.069 0.000 1.126 111 R CA 1.454 57.439 56.100 -0.191 0.000 0.963 111 R CB -0.835 29.124 30.300 -0.569 0.000 0.858 111 R HN 0.434 nan 8.270 nan 0.000 0.435 112 L N 0.826 122.073 121.223 0.039 0.000 2.409 112 L HA 0.454 4.803 4.340 0.015 0.000 0.272 112 L C -1.592 175.379 176.870 0.168 0.000 0.980 112 L CA -0.483 54.467 54.840 0.183 0.000 0.826 112 L CB 1.961 44.270 42.059 0.418 0.000 1.268 112 L HN 0.216 nan 8.230 nan 0.000 0.407 113 E N 4.141 124.420 120.200 0.130 0.000 2.218 113 E HA 0.221 4.580 4.350 0.015 0.000 0.263 113 E C -2.060 174.605 176.600 0.107 0.000 0.879 113 E CA -0.702 55.751 56.400 0.089 0.000 0.762 113 E CB 1.151 30.901 29.700 0.082 0.000 1.166 113 E HN 0.650 nan 8.360 nan 0.000 0.415 114 W N 5.851 127.091 121.300 -0.100 0.000 2.376 114 W HA 0.425 5.095 4.660 0.016 0.000 0.312 114 W C -0.945 175.481 176.519 -0.155 0.000 1.060 114 W CA -0.740 56.493 57.345 -0.188 0.000 1.221 114 W CB 0.945 30.239 29.460 -0.277 0.000 1.281 114 W HN 0.432 nan 8.180 nan 0.000 0.456 115 R N 5.258 125.379 120.500 -0.630 0.000 2.628 115 R HA 0.518 4.867 4.340 0.015 0.000 0.288 115 R C -1.188 174.583 176.300 -0.882 0.000 0.980 115 R CA -1.004 54.758 56.100 -0.564 0.000 0.891 115 R CB 1.701 31.873 30.300 -0.212 0.000 1.188 115 R HN 0.676 nan 8.270 nan 0.000 0.450 116 R N 3.465 123.547 120.500 -0.698 0.000 2.534 116 R HA 0.477 4.827 4.340 0.015 0.000 0.301 116 R C -1.657 174.523 176.300 -0.199 0.000 0.961 116 R CA -0.479 55.315 56.100 -0.511 0.000 0.871 116 R CB 1.494 31.520 30.300 -0.456 0.000 1.170 116 R HN 0.624 nan 8.270 nan 0.000 0.446 117 C N 4.828 124.045 119.300 -0.139 0.000 2.321 117 C HA 0.583 5.052 4.460 0.015 0.000 0.323 117 C C 1.174 176.146 174.990 -0.031 0.000 1.191 117 C CA 0.389 59.374 59.018 -0.055 0.000 1.455 117 C CB 0.104 27.818 27.740 -0.043 0.000 2.083 117 C HN 1.156 nan 8.230 nan 0.000 0.442 118 G N 3.935 112.730 108.800 -0.007 0.000 2.686 118 G HA2 -0.265 3.704 3.960 0.015 0.000 0.329 118 G HA3 -0.265 3.704 3.960 0.015 0.000 0.329 118 G C 1.126 176.033 174.900 0.013 0.000 1.187 118 G CA 0.840 45.945 45.100 0.008 0.000 0.965 118 G HN 1.262 nan 8.290 nan 0.000 0.549 119 G N 0.353 109.160 108.800 0.011 0.000 3.126 119 G HA2 0.621 4.590 3.960 0.015 0.000 0.224 119 G HA3 0.621 4.590 3.960 0.015 0.000 0.224 119 G C 0.537 175.445 174.900 0.014 0.000 1.142 119 G CA 1.688 46.801 45.100 0.022 0.000 0.759 119 G HN 1.480 nan 8.290 nan 0.000 0.550 120 K N 0.132 120.521 120.400 -0.019 0.000 2.270 120 K HA 0.908 5.238 4.320 0.015 0.000 0.255 120 K C -0.602 175.924 176.600 -0.123 0.000 0.936 120 K CA -0.243 56.020 56.287 -0.040 0.000 0.809 120 K CB 1.908 34.386 32.500 -0.036 0.000 1.131 120 K HN 0.689 nan 8.250 nan 0.000 0.427 121 A N 1.129 123.870 122.820 -0.131 0.000 2.374 121 A HA 0.904 5.233 4.320 0.015 0.000 0.317 121 A C -0.302 177.138 177.584 -0.240 0.000 1.094 121 A CA -0.575 51.247 52.037 -0.358 0.000 0.765 121 A CB 1.454 20.169 19.000 -0.474 0.000 1.268 121 A HN 0.686 nan 8.150 nan 0.000 0.438 122 T N 1.602 115.923 114.554 -0.389 0.000 2.881 122 T HA 0.491 4.850 4.350 0.015 0.000 0.290 122 T C -1.151 173.417 174.700 -0.220 0.000 1.000 122 T CA -0.281 61.702 62.100 -0.196 0.000 0.978 122 T CB 1.223 70.009 68.868 -0.137 0.000 0.997 122 T HN 0.589 nan 8.240 nan 0.000 0.443 123 L N 3.349 124.558 121.223 -0.023 0.000 2.272 123 L HA 0.591 4.940 4.340 0.015 0.000 0.289 123 L C -0.123 176.761 176.870 0.023 0.000 1.032 123 L CA -0.255 54.614 54.840 0.048 0.000 0.810 123 L CB 0.518 42.694 42.059 0.195 0.000 1.205 123 L HN 0.430 nan 8.230 nan 0.000 0.422 124 R N 5.041 125.559 120.500 0.030 0.000 2.360 124 R HA 0.462 4.811 4.340 0.015 0.000 0.318 124 R C -1.627 174.704 176.300 0.050 0.000 0.950 124 R CA -0.845 55.269 56.100 0.022 0.000 0.837 124 R CB 1.492 31.805 30.300 0.023 0.000 1.165 124 R HN 0.642 nan 8.270 nan 0.000 0.458 125 L N 3.484 124.726 121.223 0.032 0.000 2.296 125 L HA 0.424 4.773 4.340 0.015 0.000 0.286 125 L C -0.257 176.622 176.870 0.015 0.000 1.023 125 L CA -0.105 54.761 54.840 0.045 0.000 0.812 125 L CB 1.812 43.909 42.059 0.063 0.000 1.223 125 L HN 0.637 nan 8.230 nan 0.000 0.421 126 T N 3.339 117.899 114.554 0.010 0.000 2.824 126 T HA 0.613 4.972 4.350 0.015 0.000 0.280 126 T C -0.285 174.433 174.700 0.031 0.000 0.995 126 T CA -0.758 61.343 62.100 0.002 0.000 1.009 126 T CB 0.967 69.829 68.868 -0.010 0.000 0.955 126 T HN 0.477 nan 8.240 nan 0.000 0.452 127 L N 3.448 124.701 121.223 0.050 0.000 2.295 127 L HA 0.717 5.067 4.340 0.015 0.000 0.285 127 L C -0.852 176.117 176.870 0.165 0.000 1.035 127 L CA -1.003 53.887 54.840 0.083 0.000 0.806 127 L CB 1.278 43.374 42.059 0.062 0.000 1.214 127 L HN 0.731 nan 8.230 nan 0.000 0.426 128 F N 2.512 122.463 119.950 0.002 0.000 2.588 128 F HA 0.608 5.144 4.527 0.015 0.000 0.314 128 F C -0.648 175.178 175.800 0.043 0.000 1.134 128 F CA -0.197 57.818 58.000 0.025 0.000 0.961 128 F CB 2.082 41.105 39.000 0.038 0.000 1.239 128 F HN 0.373 nan 8.300 nan 0.000 0.448 129 S N 3.705 118.953 115.700 -0.753 0.000 2.533 129 S HA 0.251 4.730 4.470 0.015 0.000 0.271 129 S C 0.110 174.362 174.600 -0.580 0.000 1.143 129 S CA -0.301 57.590 58.200 -0.516 0.000 0.891 129 S CB 1.295 64.384 63.200 -0.185 0.000 1.105 129 S HN 0.852 nan 8.310 nan 0.000 0.468 130 E N 1.820 121.808 120.200 -0.354 0.000 2.435 130 E HA 0.043 4.402 4.350 0.015 0.000 0.195 130 E C 0.960 177.492 176.600 -0.112 0.000 1.029 130 E CA 1.052 57.337 56.400 -0.192 0.000 0.865 130 E CB 0.072 29.735 29.700 -0.062 0.000 0.833 130 E HN 0.495 nan 8.360 nan 0.000 0.510 131 S N -0.634 115.000 115.700 -0.109 0.000 3.019 131 S HA 0.145 4.624 4.470 0.015 0.000 0.258 131 S C 0.642 175.211 174.600 -0.052 0.000 1.082 131 S CA -0.051 58.107 58.200 -0.071 0.000 0.836 131 S CB 0.964 64.122 63.200 -0.069 0.000 0.834 131 S HN 0.052 nan 8.310 nan 0.000 0.457 132 S N 0.445 116.120 115.700 -0.041 0.000 2.673 132 S HA 0.533 5.012 4.470 0.015 0.000 0.256 132 S C 0.328 174.964 174.600 0.060 0.000 1.141 132 S CA -0.710 57.513 58.200 0.038 0.000 1.109 132 S CB 0.512 63.774 63.200 0.104 0.000 1.101 132 S HN 0.391 nan 8.310 nan 0.000 0.471 133 L N 3.694 124.937 121.223 0.034 0.000 2.042 133 L HA -0.156 4.193 4.340 0.015 0.000 0.210 133 L C 2.835 179.737 176.870 0.053 0.000 1.076 133 L CA 1.732 56.591 54.840 0.032 0.000 0.749 133 L CB -0.318 41.757 42.059 0.027 0.000 0.893 133 L HN 0.761 nan 8.230 nan 0.000 0.432 134 Q N -0.394 119.442 119.800 0.061 0.000 2.045 134 Q HA -0.265 4.084 4.340 0.015 0.000 0.206 134 Q C 2.168 178.145 176.000 -0.039 0.000 0.991 134 Q CA 1.936 57.740 55.803 0.001 0.000 0.851 134 Q CB -0.120 28.603 28.738 -0.025 0.000 0.911 134 Q HN 0.597 nan 8.270 nan 0.000 0.418 135 H N -0.750 118.326 119.070 0.010 0.000 2.462 135 H HA -0.074 4.491 4.556 0.015 0.000 0.292 135 H C 1.537 176.876 175.328 0.018 0.000 1.049 135 H CA 1.193 57.249 56.048 0.014 0.000 1.334 135 H CB 0.137 29.904 29.762 0.008 0.000 1.404 135 H HN 0.451 nan 8.280 nan 0.000 0.544 136 D N 0.987 121.458 120.400 0.117 0.000 2.117 136 D HA -0.094 4.555 4.640 0.015 0.000 0.197 136 D C 2.361 178.699 176.300 0.064 0.000 0.987 136 D CA 1.177 55.223 54.000 0.075 0.000 0.829 136 D CB -0.040 40.792 40.800 0.053 0.000 0.961 136 D HN 0.274 nan 8.370 nan 0.000 0.460 137 A N 0.247 123.099 122.820 0.052 0.000 1.917 137 A HA -0.182 4.147 4.320 0.015 0.000 0.219 137 A C 2.407 180.021 177.584 0.050 0.000 1.182 137 A CA 1.439 53.506 52.037 0.049 0.000 0.633 137 A CB -0.891 18.130 19.000 0.035 0.000 0.819 137 A HN 0.397 nan 8.150 nan 0.000 0.448 138 I N -0.582 120.006 120.570 0.031 0.000 2.226 138 I HA -0.283 3.896 4.170 0.015 0.000 0.245 138 I C 2.624 178.782 176.117 0.069 0.000 1.100 138 I CA 1.233 62.554 61.300 0.035 0.000 1.374 138 I CB -0.358 37.644 38.000 0.004 0.000 1.057 138 I HN 0.307 nan 8.210 nan 0.000 0.413 139 Q N 0.659 120.506 119.800 0.079 0.000 2.119 139 Q HA -0.115 4.234 4.340 0.015 0.000 0.201 139 Q C 2.460 178.540 176.000 0.133 0.000 0.972 139 Q CA 1.762 57.623 55.803 0.097 0.000 0.847 139 Q CB -0.644 28.142 28.738 0.080 0.000 0.903 139 Q HN 0.570 nan 8.270 nan 0.000 0.433 140 A N 1.419 124.309 122.820 0.117 0.000 1.902 140 A HA -0.192 4.137 4.320 0.015 0.000 0.217 140 A C 2.107 179.823 177.584 0.220 0.000 1.181 140 A CA 1.472 53.606 52.037 0.163 0.000 0.623 140 A CB -0.335 18.732 19.000 0.112 0.000 0.818 140 A HN 0.221 nan 8.150 nan 0.000 0.443 141 K N -0.684 119.803 120.400 0.145 0.000 2.057 141 K HA -0.179 4.150 4.320 0.015 0.000 0.207 141 K C 2.104 178.774 176.600 0.117 0.000 1.049 141 K CA 1.468 57.825 56.287 0.118 0.000 0.931 141 K CB -0.158 32.388 32.500 0.078 0.000 0.714 141 K HN 0.678 nan 8.250 nan 0.000 0.440 142 E N 0.156 120.431 120.200 0.126 0.000 2.072 142 E HA -0.192 4.167 4.350 0.015 0.000 0.191 142 E C 1.915 178.597 176.600 0.137 0.000 0.985 142 E CA 0.888 57.354 56.400 0.111 0.000 0.801 142 E CB -0.088 29.677 29.700 0.108 0.000 0.750 142 E HN 0.210 nan 8.360 nan 0.000 0.452 143 F N 1.375 121.353 119.950 0.046 0.000 2.102 143 F HA -0.175 4.360 4.527 0.014 0.000 0.298 143 F C 2.017 177.853 175.800 0.059 0.000 1.105 143 F CA 1.388 59.418 58.000 0.049 0.000 1.239 143 F CB -0.258 38.776 39.000 0.056 0.000 0.991 143 F HN -0.033 nan 8.300 nan 0.000 0.474 144 I N 0.534 121.117 120.570 0.021 0.000 2.208 144 I HA -0.333 3.846 4.170 0.015 0.000 0.245 144 I C 2.609 178.670 176.117 -0.092 0.000 1.097 144 I CA 1.363 62.627 61.300 -0.060 0.000 1.363 144 I CB -0.843 37.214 38.000 0.095 0.000 1.051 144 I HN 0.278 nan 8.210 nan 0.000 0.413 145 A N -0.273 122.524 122.820 -0.039 0.000 2.121 145 A HA -0.131 4.198 4.320 0.015 0.000 0.218 145 A C 2.135 179.678 177.584 -0.068 0.000 1.154 145 A CA 1.788 53.806 52.037 -0.031 0.000 0.679 145 A CB -0.776 18.225 19.000 0.001 0.000 0.795 145 A HN 0.412 nan 8.150 nan 0.000 0.458 146 T N 0.419 114.894 114.554 -0.132 0.000 3.129 146 T HA 0.265 4.624 4.350 0.015 0.000 0.251 146 T C 0.533 175.108 174.700 -0.208 0.000 1.117 146 T CA -0.094 61.914 62.100 -0.154 0.000 1.034 146 T CB -0.358 68.416 68.868 -0.157 0.000 0.968 146 T HN 0.310 nan 8.240 nan 0.000 0.526 147 L N 1.442 122.536 121.223 -0.215 0.000 2.439 147 L HA 0.370 4.720 4.340 0.015 0.000 0.269 147 L C 0.036 176.858 176.870 -0.079 0.000 1.179 147 L CA -0.379 54.367 54.840 -0.158 0.000 0.828 147 L CB 0.474 42.517 42.059 -0.026 0.000 1.106 147 L HN -0.044 nan 8.230 nan 0.000 0.467 148 V N 0.859 120.715 119.914 -0.096 0.000 2.960 148 V HA 0.335 4.464 4.120 0.015 0.000 0.315 148 V C -0.023 176.058 176.094 -0.022 0.000 1.087 148 V CA -0.644 61.609 62.300 -0.079 0.000 0.982 148 V CB 2.592 34.331 31.823 -0.140 0.000 1.039 148 V HN 0.954 nan 8.190 nan 0.000 0.437 149 S N 3.111 118.812 115.700 0.001 0.000 2.572 149 S HA 0.443 4.922 4.470 0.015 0.000 0.279 149 S C -0.260 174.352 174.600 0.020 0.000 1.341 149 S CA -0.453 57.776 58.200 0.048 0.000 1.043 149 S CB 0.181 63.396 63.200 0.025 0.000 0.887 149 S HN 0.420 nan 8.310 nan 0.000 0.516 150 I N 1.926 122.549 120.570 0.088 0.000 2.752 150 I HA 0.288 4.467 4.170 0.015 0.000 0.286 150 I C 0.949 177.046 176.117 -0.033 0.000 1.180 150 I CA 0.720 62.040 61.300 0.033 0.000 1.404 150 I CB -0.864 37.178 38.000 0.069 0.000 1.389 150 I HN 0.840 nan 8.210 nan 0.000 0.549 151 K N 8.836 129.188 120.400 -0.080 0.000 2.138 151 K HA 0.664 4.993 4.320 0.015 0.000 0.263 151 K C -2.583 173.957 176.600 -0.100 0.000 0.965 151 K CA -1.776 54.462 56.287 -0.082 0.000 0.868 151 K CB 0.204 32.651 32.500 -0.088 0.000 1.083 151 K HN 0.520 nan 8.250 nan 0.000 0.443 152 P HA 0.175 nan 4.420 nan 0.000 0.271 152 P C -0.847 176.382 177.300 -0.118 0.000 1.216 152 P CA -0.591 62.448 63.100 -0.102 0.000 0.776 152 P CB 0.720 32.371 31.700 -0.081 0.000 0.881 153 L N 6.273 127.411 121.223 -0.142 0.000 2.295 153 L HA 0.315 4.664 4.340 0.015 0.000 0.288 153 L C -1.584 175.202 176.870 -0.139 0.000 1.079 153 L CA -1.928 52.817 54.840 -0.159 0.000 0.830 153 L CB -0.387 41.547 42.059 -0.208 0.000 1.200 153 L HN 0.341 nan 8.230 nan 0.000 0.438 154 P HA 0.191 nan 4.420 nan 0.000 0.270 154 P C -0.011 177.219 177.300 -0.117 0.000 1.227 154 P CA -0.384 62.652 63.100 -0.107 0.000 0.788 154 P CB 0.458 32.100 31.700 -0.096 0.000 0.926 155 G N -0.005 108.733 108.800 -0.103 0.000 2.580 155 G HA2 0.515 4.485 3.960 0.015 0.000 0.278 155 G HA3 0.515 4.485 3.960 0.015 0.000 0.278 155 G C -0.837 173.998 174.900 -0.108 0.000 1.212 155 G CA -0.847 44.190 45.100 -0.105 0.000 0.939 155 G HN 0.439 nan 8.290 nan 0.000 0.513 156 L N 0.858 122.013 121.223 -0.113 0.000 2.294 156 L HA 0.455 4.804 4.340 0.015 0.000 0.283 156 L C 1.495 178.300 176.870 -0.109 0.000 1.015 156 L CA -0.899 53.863 54.840 -0.129 0.000 0.831 156 L CB 0.764 42.725 42.059 -0.162 0.000 1.217 156 L HN 1.002 nan 8.230 nan 0.000 0.420 157 H N 3.574 122.584 119.070 -0.099 0.000 2.501 157 H HA 0.296 4.861 4.556 0.015 0.000 0.317 157 H C 0.702 175.985 175.328 -0.075 0.000 1.057 157 H CA 0.548 56.554 56.048 -0.070 0.000 1.371 157 H CB -0.088 29.643 29.762 -0.051 0.000 1.501 157 H HN 0.441 nan 8.280 nan 0.000 0.620 158 L N 1.343 122.522 121.223 -0.072 0.000 2.785 158 L HA -0.074 4.275 4.340 0.015 0.000 0.590 158 L C 0.330 177.266 176.870 0.110 0.000 1.000 158 L CA 0.878 55.676 54.840 -0.070 0.000 1.306 158 L CB -2.235 39.589 42.059 -0.391 0.000 1.738 158 L HN 1.187 nan 8.230 nan 0.000 0.846 159 T N -0.389 114.281 114.554 0.193 0.000 2.895 159 T HA 0.725 5.084 4.350 0.015 0.000 0.283 159 T C 0.351 175.220 174.700 0.282 0.000 1.014 159 T CA -0.693 61.535 62.100 0.214 0.000 1.037 159 T CB 1.597 70.524 68.868 0.098 0.000 1.006 159 T HN 0.498 nan 8.240 nan 0.000 0.468 160 T N 2.660 117.281 114.554 0.111 0.000 2.834 160 T HA 0.167 4.526 4.350 0.015 0.000 0.298 160 T C 1.367 175.996 174.700 -0.118 0.000 0.966 160 T CA -0.249 61.748 62.100 -0.173 0.000 1.141 160 T CB 0.696 69.444 68.868 -0.201 0.000 0.905 160 T HN 0.742 nan 8.240 nan 0.000 0.535 161 T N 3.250 117.712 114.554 -0.153 0.000 2.896 161 T HA 0.082 4.441 4.350 0.015 0.000 0.263 161 T C 0.906 175.531 174.700 -0.125 0.000 1.050 161 T CA 0.745 62.794 62.100 -0.086 0.000 1.140 161 T CB 0.079 68.927 68.868 -0.032 0.000 0.877 161 T HN 0.506 nan 8.240 nan 0.000 0.457 162 R N 0.495 120.889 120.500 -0.176 0.000 2.644 162 R HA 0.312 4.661 4.340 0.015 0.000 0.257 162 R C -2.220 173.962 176.300 -0.198 0.000 1.082 162 R CA -0.441 55.533 56.100 -0.210 0.000 0.927 162 R CB 1.436 31.541 30.300 -0.325 0.000 1.258 162 R HN 0.088 nan 8.270 nan 0.000 0.459 163 E N 1.921 121.997 120.200 -0.207 0.000 2.238 163 E HA 0.266 4.625 4.350 0.015 0.000 0.267 163 E C -1.558 174.874 176.600 -0.280 0.000 0.887 163 E CA -0.831 55.432 56.400 -0.228 0.000 0.769 163 E CB 2.553 32.096 29.700 -0.261 0.000 1.187 163 E HN 0.446 nan 8.360 nan 0.000 0.416 164 Q N 2.104 121.715 119.800 -0.314 0.000 2.263 164 Q HA 0.217 4.566 4.340 0.015 0.000 0.266 164 Q C -1.703 173.992 176.000 -0.508 0.000 1.002 164 Q CA -0.617 54.939 55.803 -0.412 0.000 0.790 164 Q CB 0.966 29.494 28.738 -0.350 0.000 1.272 164 Q HN 0.492 nan 8.270 nan 0.000 0.435 165 H N 3.095 121.969 119.070 -0.326 0.000 2.527 165 H HA 0.213 4.779 4.556 0.017 0.000 0.321 165 H C -1.027 174.055 175.328 -0.410 0.000 1.087 165 H CA -0.074 55.833 56.048 -0.236 0.000 1.337 165 H CB 0.516 30.270 29.762 -0.013 0.000 1.440 165 H HN 0.606 nan 8.280 nan 0.000 0.490 166 W N 4.442 125.829 121.300 0.145 0.000 2.314 166 W HA 0.264 4.930 4.660 0.011 0.000 0.310 166 W C -1.932 174.785 176.519 0.330 0.000 1.075 166 W CA -1.911 55.556 57.345 0.204 0.000 1.253 166 W CB 0.385 29.931 29.460 0.143 0.000 1.238 166 W HN 0.482 nan 8.180 nan 0.000 0.440 167 P HA -0.276 nan 4.420 nan 0.000 0.242 167 P C -0.213 177.298 177.300 0.351 0.000 1.044 167 P CA 0.811 64.179 63.100 0.447 0.000 0.755 167 P CB 0.314 32.395 31.700 0.635 0.000 0.599 168 D N 3.287 123.820 120.400 0.223 0.000 2.447 168 D HA 0.130 4.779 4.640 0.015 0.000 0.265 168 D C 1.379 177.716 176.300 0.062 0.000 1.250 168 D CA -0.213 53.881 54.000 0.157 0.000 1.046 168 D CB 0.478 41.309 40.800 0.052 0.000 1.095 168 D HN 0.116 nan 8.370 nan 0.000 0.555 169 K N -0.659 119.586 120.400 -0.257 0.000 2.032 169 K HA -0.168 4.161 4.320 0.015 0.000 0.218 169 K C 2.103 178.612 176.600 -0.151 0.000 1.054 169 K CA 2.318 58.279 56.287 -0.544 0.000 0.941 169 K CB -0.982 31.095 32.500 -0.704 0.000 0.720 169 K HN 0.601 nan 8.250 nan 0.000 0.449 170 T N 0.076 114.582 114.554 -0.080 0.000 2.708 170 T HA -0.125 4.234 4.350 0.015 0.000 0.266 170 T C 2.027 176.765 174.700 0.063 0.000 1.037 170 T CA 1.535 63.628 62.100 -0.011 0.000 1.146 170 T CB -0.682 68.178 68.868 -0.013 0.000 0.865 170 T HN 0.476 nan 8.240 nan 0.000 0.435 171 G N 0.259 109.127 108.800 0.113 0.000 2.422 171 G HA2 -0.217 3.752 3.960 0.015 0.000 0.218 171 G HA3 -0.217 3.752 3.960 0.015 0.000 0.218 171 G C 1.400 176.439 174.900 0.231 0.000 1.146 171 G CA 0.483 45.685 45.100 0.169 0.000 0.769 171 G HN 0.574 nan 8.290 nan 0.000 0.547 172 W N 1.749 123.106 121.300 0.095 0.000 2.354 172 W HA -0.173 4.496 4.660 0.015 0.000 0.315 172 W C 2.373 178.947 176.519 0.092 0.000 1.206 172 W CA 2.037 59.469 57.345 0.144 0.000 1.290 172 W CB -0.566 29.028 29.460 0.223 0.000 1.152 172 W HN 0.264 nan 8.180 nan 0.000 0.489 173 T N 1.361 115.994 114.554 0.132 0.000 2.607 173 T HA -0.355 4.005 4.350 0.015 0.000 0.267 173 T C 1.676 176.346 174.700 -0.050 0.000 1.049 173 T CA 2.328 64.437 62.100 0.014 0.000 1.162 173 T CB -0.820 68.062 68.868 0.025 0.000 0.863 173 T HN 0.270 nan 8.240 nan 0.000 0.424 174 Q N 0.231 120.024 119.800 -0.012 0.000 2.096 174 Q HA -0.023 4.327 4.340 0.015 0.000 0.204 174 Q C 2.422 178.394 176.000 -0.045 0.000 0.982 174 Q CA 1.169 56.961 55.803 -0.018 0.000 0.850 174 Q CB -0.410 28.336 28.738 0.013 0.000 0.901 174 Q HN 0.419 nan 8.270 nan 0.000 0.422 175 L N 0.076 121.266 121.223 -0.056 0.000 2.012 175 L HA -0.236 4.113 4.340 0.015 0.000 0.210 175 L C 2.063 178.844 176.870 -0.149 0.000 1.073 175 L CA 0.861 55.659 54.840 -0.070 0.000 0.748 175 L CB -0.252 41.767 42.059 -0.068 0.000 0.891 175 L HN 0.306 nan 8.230 nan 0.000 0.431 176 I N -0.484 119.897 120.570 -0.315 0.000 2.202 176 I HA -0.247 3.932 4.170 0.015 0.000 0.242 176 I C 2.422 178.437 176.117 -0.170 0.000 1.091 176 I CA 1.414 62.520 61.300 -0.323 0.000 1.368 176 I CB -1.310 36.453 38.000 -0.396 0.000 1.058 176 I HN 0.348 nan 8.210 nan 0.000 0.410 177 E N 0.616 120.746 120.200 -0.116 0.000 2.085 177 E HA -0.221 4.139 4.350 0.015 0.000 0.194 177 E C 2.308 178.875 176.600 -0.054 0.000 0.994 177 E CA 0.878 57.238 56.400 -0.068 0.000 0.801 177 E CB -0.140 29.533 29.700 -0.044 0.000 0.743 177 E HN 0.256 nan 8.360 nan 0.000 0.453 178 L N 0.538 121.738 121.223 -0.038 0.000 2.083 178 L HA -0.150 4.200 4.340 0.015 0.000 0.209 178 L C 2.262 179.151 176.870 0.032 0.000 1.083 178 L CA 1.784 56.630 54.840 0.011 0.000 0.752 178 L CB -0.930 41.130 42.059 0.001 0.000 0.899 178 L HN 0.101 nan 8.230 nan 0.000 0.433 179 A N -0.719 122.050 122.820 -0.085 0.000 1.929 179 A HA -0.165 4.164 4.320 0.015 0.000 0.216 179 A C 2.276 179.712 177.584 -0.248 0.000 1.176 179 A CA 1.912 53.721 52.037 -0.381 0.000 0.628 179 A CB -0.758 17.954 19.000 -0.480 0.000 0.816 179 A HN 0.573 nan 8.150 nan 0.000 0.444 180 T N -1.119 113.345 114.554 -0.149 0.000 2.737 180 T HA -0.175 4.184 4.350 0.015 0.000 0.265 180 T C 1.890 176.548 174.700 -0.070 0.000 1.038 180 T CA 1.669 63.709 62.100 -0.100 0.000 1.144 180 T CB -0.356 68.470 68.868 -0.069 0.000 0.866 180 T HN 0.392 nan 8.240 nan 0.000 0.434 181 K N 1.491 121.861 120.400 -0.050 0.000 2.113 181 K HA -0.131 4.198 4.320 0.015 0.000 0.208 181 K C 2.257 178.846 176.600 -0.018 0.000 1.047 181 K CA 2.069 58.341 56.287 -0.025 0.000 0.928 181 K CB -0.946 31.547 32.500 -0.012 0.000 0.716 181 K HN 0.480 nan 8.250 nan 0.000 0.446 182 T N 0.596 115.136 114.554 -0.024 0.000 2.777 182 T HA -0.039 4.320 4.350 0.015 0.000 0.266 182 T C 1.814 176.494 174.700 -0.033 0.000 1.040 182 T CA 1.549 63.647 62.100 -0.003 0.000 1.141 182 T CB -0.205 68.683 68.868 0.033 0.000 0.868 182 T HN 0.171 nan 8.240 nan 0.000 0.444 183 I N 1.451 121.976 120.570 -0.075 0.000 2.394 183 I HA -0.081 4.098 4.170 0.015 0.000 0.251 183 I C 2.855 178.950 176.117 -0.036 0.000 1.136 183 I CA 0.762 62.024 61.300 -0.063 0.000 1.425 183 I CB -0.403 37.546 38.000 -0.085 0.000 1.079 183 I HN 0.188 nan 8.210 nan 0.000 0.425 184 A N 0.356 123.157 122.820 -0.032 0.000 1.930 184 A HA -0.196 4.133 4.320 0.015 0.000 0.217 184 A C 2.135 179.713 177.584 -0.010 0.000 1.175 184 A CA 1.425 53.451 52.037 -0.019 0.000 0.627 184 A CB -0.418 18.572 19.000 -0.017 0.000 0.815 184 A HN 0.285 nan 8.150 nan 0.000 0.443 185 E N -1.042 119.154 120.200 -0.006 0.000 2.331 185 E HA 0.222 4.581 4.350 0.015 0.000 0.199 185 E C 1.225 177.825 176.600 0.001 0.000 1.008 185 E CA 1.032 57.433 56.400 0.002 0.000 0.843 185 E CB -0.151 29.555 29.700 0.010 0.000 0.761 185 E HN 0.793 nan 8.360 nan 0.000 0.507 186 G N -1.295 107.502 108.800 -0.004 0.000 2.460 186 G HA2 -0.259 3.710 3.960 0.015 0.000 0.207 186 G HA3 -0.259 3.710 3.960 0.015 0.000 0.207 186 G C 0.209 175.107 174.900 -0.003 0.000 1.170 186 G CA -0.096 45.002 45.100 -0.004 0.000 1.151 186 G HN 0.120 nan 8.290 nan 0.000 0.575 187 E N -1.352 118.849 120.200 0.001 0.000 3.871 187 E HA -0.316 4.043 4.350 0.015 0.000 0.238 187 E C 1.324 177.925 176.600 0.001 0.000 1.237 187 E CA 2.330 58.733 56.400 0.006 0.000 2.074 187 E CB -1.498 28.212 29.700 0.015 0.000 1.805 187 E HN 1.597 nan 8.360 nan 0.000 0.314 188 L N -0.492 120.728 121.223 -0.006 0.000 2.431 188 L HA 0.504 4.853 4.340 0.015 0.000 0.260 188 L C 0.647 177.498 176.870 -0.031 0.000 1.098 188 L CA -0.442 54.388 54.840 -0.016 0.000 0.800 188 L CB 0.868 42.913 42.059 -0.024 0.000 1.210 188 L HN 0.024 nan 8.230 nan 0.000 0.465 189 D N -1.043 119.338 120.400 -0.032 0.000 2.526 189 D HA 0.185 4.834 4.640 0.015 0.000 0.293 189 D C -0.239 176.038 176.300 -0.039 0.000 1.081 189 D CA 0.552 54.534 54.000 -0.030 0.000 0.924 189 D CB 0.824 41.615 40.800 -0.014 0.000 1.498 189 D HN 0.433 nan 8.370 nan 0.000 0.497 190 K N 1.076 121.454 120.400 -0.037 0.000 2.468 190 K HA 0.499 4.828 4.320 0.015 0.000 0.252 190 K C -1.836 174.734 176.600 -0.050 0.000 0.932 190 K CA -0.555 55.711 56.287 -0.035 0.000 0.794 190 K CB 3.215 35.715 32.500 -0.001 0.000 1.241 190 K HN -0.183 nan 8.250 nan 0.000 0.428 191 V N 4.951 124.816 119.914 -0.081 0.000 2.525 191 V HA 0.311 4.441 4.120 0.015 0.000 0.299 191 V C -0.993 175.097 176.094 -0.008 0.000 1.034 191 V CA -0.687 61.568 62.300 -0.075 0.000 0.863 191 V CB 1.850 33.530 31.823 -0.239 0.000 0.999 191 V HN 0.495 nan 8.190 nan 0.000 0.423 192 V N 8.628 128.581 119.914 0.065 0.000 2.387 192 V HA 0.320 4.449 4.120 0.015 0.000 0.260 192 V C 0.271 176.460 176.094 0.158 0.000 1.054 192 V CA -0.010 62.364 62.300 0.124 0.000 0.967 192 V CB 0.589 32.499 31.823 0.145 0.000 1.036 192 V HN 0.636 nan 8.190 nan 0.000 0.481 193 L N 4.673 126.010 121.223 0.189 0.000 2.307 193 L HA 0.803 5.152 4.340 0.015 0.000 0.282 193 L C 0.473 177.634 176.870 0.484 0.000 1.051 193 L CA -0.151 54.842 54.840 0.256 0.000 0.804 193 L CB 1.597 43.703 42.059 0.079 0.000 1.197 193 L HN 0.691 nan 8.230 nan 0.000 0.431 194 A N 4.070 127.194 122.820 0.506 0.000 2.313 194 A HA 0.845 5.174 4.320 0.015 0.000 0.323 194 A C -0.827 177.218 177.584 0.767 0.000 1.133 194 A CA -0.675 51.722 52.037 0.600 0.000 0.847 194 A CB 1.721 21.094 19.000 0.621 0.000 1.308 194 A HN 0.760 nan 8.150 nan 0.000 0.475 195 R N 0.273 121.069 120.500 0.493 0.000 2.538 195 R HA 0.603 4.952 4.340 0.015 0.000 0.292 195 R C -0.967 175.290 176.300 -0.070 0.000 1.008 195 R CA -0.327 55.966 56.100 0.322 0.000 0.896 195 R CB 1.693 31.971 30.300 -0.036 0.000 1.187 195 R HN 1.011 nan 8.270 nan 0.000 0.440 196 A N 2.583 125.125 122.820 -0.463 0.000 2.310 196 A HA 0.573 4.902 4.320 0.015 0.000 0.299 196 A C -0.709 176.753 177.584 -0.202 0.000 1.147 196 A CA -0.362 51.262 52.037 -0.688 0.000 0.818 196 A CB 1.322 19.565 19.000 -1.260 0.000 1.096 196 A HN 0.680 nan 8.150 nan 0.000 0.495 197 T N 2.277 116.692 114.554 -0.232 0.000 2.847 197 T HA 0.404 4.763 4.350 0.015 0.000 0.291 197 T C -1.372 173.246 174.700 -0.138 0.000 0.998 197 T CA -0.470 61.558 62.100 -0.120 0.000 0.967 197 T CB 1.027 69.839 68.868 -0.092 0.000 0.954 197 T HN 0.564 nan 8.240 nan 0.000 0.441 198 D N 2.940 123.302 120.400 -0.064 0.000 2.317 198 D HA 0.404 5.053 4.640 0.015 0.000 0.234 198 D C -0.666 175.601 176.300 -0.055 0.000 1.112 198 D CA -0.492 53.497 54.000 -0.019 0.000 0.840 198 D CB 1.283 42.191 40.800 0.180 0.000 1.078 198 D HN 0.183 nan 8.370 nan 0.000 0.486 199 L N 3.933 125.073 121.223 -0.138 0.000 2.295 199 L HA 0.186 4.535 4.340 0.015 0.000 0.281 199 L C 0.240 176.816 176.870 -0.491 0.000 1.018 199 L CA -0.506 54.150 54.840 -0.307 0.000 0.841 199 L CB 0.684 42.575 42.059 -0.281 0.000 1.218 199 L HN 0.286 nan 8.230 nan 0.000 0.424 200 H N 3.850 122.622 119.070 -0.498 0.000 2.548 200 H HA 0.407 4.969 4.556 0.010 0.000 0.331 200 H C -0.878 174.078 175.328 -0.621 0.000 1.093 200 H CA -0.023 55.808 56.048 -0.361 0.000 1.367 200 H CB 1.103 30.756 29.762 -0.182 0.000 1.455 200 H HN 0.317 nan 8.280 nan 0.000 0.519 201 F N -0.776 119.217 119.950 0.072 0.000 2.579 201 F HA 0.330 4.865 4.527 0.012 0.000 0.324 201 F C 1.227 177.050 175.800 0.038 0.000 1.058 201 F CA -0.785 57.238 58.000 0.037 0.000 0.944 201 F CB 1.333 40.338 39.000 0.008 0.000 1.245 201 F HN 0.563 nan 8.300 nan 0.000 0.477 202 A N 0.600 123.558 122.820 0.229 0.000 1.902 202 A HA 0.007 4.336 4.320 0.015 0.000 0.217 202 A C 0.855 178.504 177.584 0.108 0.000 1.181 202 A CA 1.838 53.951 52.037 0.127 0.000 0.623 202 A CB -0.683 18.374 19.000 0.094 0.000 0.818 202 A HN 0.668 nan 8.150 nan 0.000 0.443 203 S N -2.087 113.679 115.700 0.111 0.000 2.667 203 S HA 0.682 5.161 4.470 0.015 0.000 0.292 203 S C -3.252 171.384 174.600 0.060 0.000 1.126 203 S CA -1.833 56.407 58.200 0.066 0.000 0.881 203 S CB 1.308 64.528 63.200 0.033 0.000 1.132 203 S HN 0.011 nan 8.310 nan 0.000 0.492 204 P HA 0.245 nan 4.420 nan 0.000 0.269 204 P C -1.034 176.254 177.300 -0.021 0.000 1.217 204 P CA -0.433 62.682 63.100 0.024 0.000 0.783 204 P CB 0.277 31.986 31.700 0.016 0.000 0.898 205 V N 2.656 122.554 119.914 -0.028 0.000 2.394 205 V HA 0.187 4.316 4.120 0.015 0.000 0.282 205 V C 0.635 176.696 176.094 -0.055 0.000 1.031 205 V CA -0.637 61.603 62.300 -0.100 0.000 0.881 205 V CB 0.909 32.656 31.823 -0.126 0.000 0.982 205 V HN 0.528 nan 8.190 nan 0.000 0.451 206 N N 3.716 122.366 118.700 -0.083 0.000 2.400 206 N HA 0.157 4.907 4.740 0.015 0.000 0.267 206 N C 0.929 176.403 175.510 -0.060 0.000 1.208 206 N CA 0.476 53.489 53.050 -0.061 0.000 0.951 206 N CB 1.664 40.097 38.487 -0.091 0.000 1.227 206 N HN 0.800 nan 8.380 nan 0.000 0.488 207 A N 4.222 127.054 122.820 0.020 0.000 1.930 207 A HA -0.052 4.277 4.320 0.015 0.000 0.217 207 A C 2.088 179.639 177.584 -0.054 0.000 1.175 207 A CA 1.617 53.703 52.037 0.081 0.000 0.627 207 A CB -0.616 18.552 19.000 0.279 0.000 0.815 207 A HN 0.709 nan 8.150 nan 0.000 0.443 208 A N -0.149 122.547 122.820 -0.205 0.000 1.933 208 A HA 0.187 4.516 4.320 0.015 0.000 0.218 208 A C 2.428 179.757 177.584 -0.426 0.000 1.175 208 A CA 1.896 53.566 52.037 -0.613 0.000 0.628 208 A CB -0.835 17.820 19.000 -0.575 0.000 0.814 208 A HN 1.008 nan 8.150 nan 0.000 0.444 209 A N -0.833 121.825 122.820 -0.270 0.000 1.969 209 A HA -0.043 4.286 4.320 0.015 0.000 0.218 209 A C 2.203 179.658 177.584 -0.215 0.000 1.169 209 A CA 1.632 53.529 52.037 -0.232 0.000 0.635 209 A CB -0.466 18.427 19.000 -0.179 0.000 0.810 209 A HN 0.600 nan 8.150 nan 0.000 0.445 210 M N -1.580 117.907 119.600 -0.189 0.000 2.200 210 M HA -0.082 4.408 4.480 0.015 0.000 0.265 210 M C 2.151 178.340 176.300 -0.185 0.000 1.066 210 M CA 2.096 57.302 55.300 -0.158 0.000 1.127 210 M CB -0.112 32.422 32.600 -0.110 0.000 1.379 210 M HN 0.448 nan 8.290 nan 0.000 0.420 211 M N 0.496 119.946 119.600 -0.249 0.000 2.117 211 M HA -0.054 4.436 4.480 0.015 0.000 0.262 211 M C 2.007 178.106 176.300 -0.335 0.000 1.065 211 M CA 2.146 57.269 55.300 -0.295 0.000 1.114 211 M CB -0.490 31.852 32.600 -0.431 0.000 1.361 211 M HN 0.299 nan 8.290 nan 0.000 0.408 212 A N -0.148 122.458 122.820 -0.356 0.000 1.898 212 A HA 0.083 4.412 4.320 0.015 0.000 0.216 212 A C 2.372 179.804 177.584 -0.253 0.000 1.181 212 A CA 1.845 53.681 52.037 -0.335 0.000 0.620 212 A CB -1.408 17.405 19.000 -0.312 0.000 0.819 212 A HN 0.648 nan 8.150 nan 0.000 0.442 213 A N -0.706 121.990 122.820 -0.206 0.000 1.883 213 A HA -0.142 4.188 4.320 0.015 0.000 0.217 213 A C 2.512 180.013 177.584 -0.140 0.000 1.186 213 A CA 2.280 54.225 52.037 -0.154 0.000 0.624 213 A CB -1.060 17.861 19.000 -0.131 0.000 0.822 213 A HN 0.578 nan 8.150 nan 0.000 0.444 214 S N -0.882 114.729 115.700 -0.147 0.000 2.368 214 S HA -0.198 4.281 4.470 0.015 0.000 0.225 214 S C 2.256 176.785 174.600 -0.118 0.000 1.030 214 S CA 1.462 59.601 58.200 -0.102 0.000 0.999 214 S CB -0.423 62.722 63.200 -0.092 0.000 0.844 214 S HN 0.588 nan 8.310 nan 0.000 0.459 215 R N 0.832 121.147 120.500 -0.308 0.000 2.081 215 R HA -0.055 4.294 4.340 0.015 0.000 0.235 215 R C 2.590 178.736 176.300 -0.255 0.000 1.131 215 R CA 1.616 57.342 56.100 -0.623 0.000 0.960 215 R CB -0.457 29.369 30.300 -0.791 0.000 0.856 215 R HN 0.454 nan 8.270 nan 0.000 0.436 216 R N 0.371 120.759 120.500 -0.187 0.000 2.096 216 R HA -0.066 4.283 4.340 0.015 0.000 0.235 216 R C 2.338 178.605 176.300 -0.055 0.000 1.127 216 R CA 1.200 57.234 56.100 -0.110 0.000 0.968 216 R CB -0.199 30.032 30.300 -0.115 0.000 0.861 216 R HN 0.284 nan 8.270 nan 0.000 0.440 217 L N 0.125 121.322 121.223 -0.044 0.000 2.131 217 L HA -0.050 4.299 4.340 0.015 0.000 0.206 217 L C 0.052 176.936 176.870 0.024 0.000 1.087 217 L CA 1.132 55.964 54.840 -0.013 0.000 0.767 217 L CB -0.047 42.003 42.059 -0.015 0.000 0.917 217 L HN 0.261 nan 8.230 nan 0.000 0.441 218 N N 0.235 118.978 118.700 0.072 0.000 2.936 218 N HA 0.316 5.065 4.740 0.015 0.000 0.243 218 N C -0.851 174.743 175.510 0.140 0.000 1.149 218 N CA -0.244 52.871 53.050 0.108 0.000 0.914 218 N CB 0.729 39.292 38.487 0.127 0.000 1.179 218 N HN 0.062 nan 8.380 nan 0.000 0.502 219 L N 0.898 122.167 121.223 0.077 0.000 2.467 219 L HA 0.139 4.488 4.340 0.015 0.000 0.270 219 L C 0.856 177.734 176.870 0.014 0.000 1.205 219 L CA -0.361 54.513 54.840 0.057 0.000 0.828 219 L CB 0.236 42.313 42.059 0.030 0.000 1.101 219 L HN 0.583 nan 8.230 nan 0.000 0.479 220 N N -0.803 117.883 118.700 -0.024 0.000 2.741 220 N HA -0.179 4.570 4.740 0.015 0.000 0.251 220 N C -0.694 174.742 175.510 -0.123 0.000 1.112 220 N CA 0.691 53.699 53.050 -0.071 0.000 0.750 220 N CB -1.409 37.061 38.487 -0.027 0.000 1.119 220 N HN 0.530 nan 8.380 nan 0.000 0.561 221 C N 0.456 119.638 119.300 -0.197 0.000 2.454 221 C HA 0.491 4.960 4.460 0.015 0.000 0.336 221 C C 0.892 175.567 174.990 -0.526 0.000 1.189 221 C CA -0.983 57.877 59.018 -0.263 0.000 1.877 221 C CB 0.388 28.009 27.740 -0.198 0.000 2.348 221 C HN 0.221 nan 8.230 nan 0.000 0.508 222 Y N 0.783 120.882 120.300 -0.334 0.000 2.597 222 Y HA 0.213 4.773 4.550 0.015 0.000 0.336 222 Y C 0.813 176.417 175.900 -0.493 0.000 1.216 222 Y CA 0.845 58.701 58.100 -0.406 0.000 1.463 222 Y CB 0.106 38.480 38.460 -0.144 0.000 1.303 222 Y HN 0.663 nan 8.280 nan 0.000 0.576 223 H N 3.008 122.068 119.070 -0.016 0.000 2.489 223 H HA 0.489 5.054 4.556 0.015 0.000 0.343 223 H C -1.259 174.081 175.328 0.021 0.000 1.086 223 H CA -0.894 55.133 56.048 -0.036 0.000 1.198 223 H CB 1.024 30.807 29.762 0.035 0.000 1.490 223 H HN 0.503 nan 8.280 nan 0.000 0.504 224 F N 1.269 121.329 119.950 0.183 0.000 2.581 224 F HA 0.482 5.018 4.527 0.014 0.000 0.311 224 F C -1.784 174.114 175.800 0.163 0.000 1.113 224 F CA -1.371 56.718 58.000 0.149 0.000 0.935 224 F CB 1.208 40.404 39.000 0.326 0.000 1.232 224 F HN 0.470 nan 8.300 nan 0.000 0.445 225 Y N 5.200 125.499 120.300 -0.002 0.000 2.361 225 Y HA 0.688 5.247 4.550 0.014 0.000 0.328 225 Y C -1.776 174.110 175.900 -0.024 0.000 1.044 225 Y CA -1.541 56.548 58.100 -0.018 0.000 1.085 225 Y CB 2.012 40.450 38.460 -0.037 0.000 1.194 225 Y HN 0.938 nan 8.280 nan 0.000 0.438 226 M N 6.635 126.055 119.600 -0.299 0.000 2.167 226 M HA 0.807 5.296 4.480 0.015 0.000 0.333 226 M C -1.495 174.318 176.300 -0.812 0.000 1.030 226 M CA -0.448 54.616 55.300 -0.394 0.000 0.963 226 M CB 1.239 33.651 32.600 -0.314 0.000 1.589 226 M HN 0.738 nan 8.290 nan 0.000 0.431 227 A N 5.081 127.470 122.820 -0.719 0.000 2.280 227 A HA 0.511 4.840 4.320 0.015 0.000 0.320 227 A C -0.130 177.339 177.584 -0.193 0.000 1.366 227 A CA -0.541 51.269 52.037 -0.378 0.000 0.938 227 A CB -0.482 18.483 19.000 -0.057 0.000 1.157 227 A HN 0.969 nan 8.150 nan 0.000 0.536 228 F N 1.325 121.279 119.950 0.006 0.000 2.146 228 F HA -0.002 4.534 4.527 0.015 0.000 0.298 228 F C 1.103 176.914 175.800 0.019 0.000 1.096 228 F CA 1.808 59.823 58.000 0.026 0.000 1.275 228 F CB 0.045 39.066 39.000 0.034 0.000 1.008 228 F HN 0.706 nan 8.300 nan 0.000 0.480 229 D N -3.274 117.172 120.400 0.077 0.000 2.851 229 D HA 0.252 4.901 4.640 0.015 0.000 0.339 229 D C 0.964 176.793 176.300 -0.784 0.000 1.347 229 D CA -0.139 53.698 54.000 -0.271 0.000 0.888 229 D CB 0.117 40.849 40.800 -0.114 0.000 1.431 229 D HN -0.123 nan 8.370 nan 0.000 0.509 230 G N -1.720 106.374 108.800 -1.175 0.000 2.535 230 G HA2 0.169 4.138 3.960 0.015 0.000 0.218 230 G HA3 0.169 4.138 3.960 0.015 0.000 0.218 230 G C 0.973 175.689 174.900 -0.307 0.000 1.122 230 G CA 1.342 45.866 45.100 -0.960 0.000 0.769 230 G HN 0.772 nan 8.290 nan 0.000 0.549 231 E N -0.304 119.785 120.200 -0.186 0.000 2.572 231 E HA 0.218 4.577 4.350 0.015 0.000 0.220 231 E C 0.480 177.099 176.600 0.032 0.000 0.945 231 E CA -0.381 55.991 56.400 -0.047 0.000 1.070 231 E CB 0.086 29.767 29.700 -0.032 0.000 1.090 231 E HN 0.411 nan 8.360 nan 0.000 0.506 232 N N -0.265 118.475 118.700 0.066 0.000 2.352 232 N HA 0.691 5.440 4.740 0.015 0.000 0.291 232 N C -1.187 174.522 175.510 0.332 0.000 1.040 232 N CA 0.050 53.225 53.050 0.209 0.000 0.864 232 N CB 2.042 40.658 38.487 0.216 0.000 1.440 232 N HN 0.408 nan 8.380 nan 0.000 0.483 233 A N 1.403 124.446 122.820 0.372 0.000 2.606 233 A HA 0.752 5.081 4.320 0.015 0.000 0.293 233 A C -2.040 175.837 177.584 0.488 0.000 1.082 233 A CA -0.597 51.615 52.037 0.291 0.000 0.685 233 A CB 1.680 20.753 19.000 0.123 0.000 1.284 233 A HN 0.541 nan 8.150 nan 0.000 0.408 234 F N 1.590 121.668 119.950 0.213 0.000 2.539 234 F HA 0.734 5.269 4.527 0.014 0.000 0.318 234 F C -1.236 174.735 175.800 0.285 0.000 1.135 234 F CA -0.942 57.269 58.000 0.351 0.000 0.915 234 F CB 1.777 41.068 39.000 0.485 0.000 1.176 234 F HN 0.754 nan 8.300 nan 0.000 0.440 235 L N 3.627 124.619 121.223 -0.386 0.000 2.479 235 L HA 1.162 5.511 4.340 0.015 0.000 0.255 235 L C -0.723 175.729 176.870 -0.697 0.000 1.026 235 L CA -0.606 54.018 54.840 -0.360 0.000 0.842 235 L CB 1.782 43.828 42.059 -0.021 0.000 1.444 235 L HN 0.876 nan 8.230 nan 0.000 0.409 236 G N -0.516 107.598 108.800 -1.144 0.000 2.441 236 G HA2 0.575 4.544 3.960 0.015 0.000 0.294 236 G HA3 0.575 4.544 3.960 0.015 0.000 0.294 236 G C -1.867 172.522 174.900 -0.852 0.000 1.393 236 G CA -0.528 44.047 45.100 -0.875 0.000 0.796 236 G HN 0.703 nan 8.290 nan 0.000 0.494 237 S N -0.188 115.366 115.700 -0.244 0.000 2.756 237 S HA 0.723 5.202 4.470 0.015 0.000 0.303 237 S C -0.556 174.118 174.600 0.123 0.000 1.135 237 S CA -0.456 57.731 58.200 -0.021 0.000 1.066 237 S CB 1.437 64.706 63.200 0.115 0.000 1.008 237 S HN 0.948 nan 8.310 nan 0.000 0.482 238 S N 3.639 119.482 115.700 0.239 0.000 2.532 238 S HA 0.582 5.061 4.470 0.015 0.000 0.299 238 S C -2.090 172.686 174.600 0.293 0.000 1.105 238 S CA -1.912 56.477 58.200 0.316 0.000 1.018 238 S CB 1.338 64.799 63.200 0.435 0.000 1.021 238 S HN 0.399 nan 8.310 nan 0.000 0.483 239 P HA 0.038 nan 4.420 nan 0.000 0.231 239 P C 0.055 177.520 177.300 0.275 0.000 1.168 239 P CA 0.452 63.680 63.100 0.213 0.000 0.779 239 P CB 0.136 31.964 31.700 0.214 0.000 0.844 240 E N 0.660 121.023 120.200 0.272 0.000 2.197 240 E HA 0.291 4.650 4.350 0.015 0.000 0.281 240 E C -0.258 176.472 176.600 0.218 0.000 0.995 240 E CA -1.022 55.505 56.400 0.212 0.000 0.808 240 E CB 1.026 30.797 29.700 0.119 0.000 1.093 240 E HN -0.180 nan 8.360 nan 0.000 0.394 241 R N 4.880 125.524 120.500 0.240 0.000 2.297 241 R HA 0.199 4.548 4.340 0.015 0.000 0.308 241 R C 0.382 176.744 176.300 0.103 0.000 1.029 241 R CA -0.334 55.869 56.100 0.171 0.000 0.929 241 R CB 0.718 31.186 30.300 0.280 0.000 1.046 241 R HN 0.713 nan 8.270 nan 0.000 0.461 242 L N 3.560 124.806 121.223 0.037 0.000 2.062 242 L HA 0.256 4.605 4.340 0.015 0.000 0.202 242 L C -0.182 176.853 176.870 0.274 0.000 1.079 242 L CA 1.107 56.028 54.840 0.135 0.000 0.755 242 L CB 0.080 42.217 42.059 0.130 0.000 0.913 242 L HN 0.824 nan 8.230 nan 0.000 0.445 243 W N -0.468 120.860 121.300 0.047 0.000 3.066 243 W HA 0.529 5.198 4.660 0.015 0.000 0.330 243 W C -1.364 175.180 176.519 0.042 0.000 1.253 243 W CA -1.114 56.255 57.345 0.040 0.000 1.187 243 W CB 0.576 30.038 29.460 0.002 0.000 1.434 243 W HN -0.265 nan 8.180 nan 0.000 0.572 244 R N 3.425 124.025 120.500 0.167 0.000 2.564 244 R HA 0.505 4.854 4.340 0.015 0.000 0.284 244 R C -1.627 174.810 176.300 0.228 0.000 1.031 244 R CA -0.849 55.263 56.100 0.020 0.000 0.904 244 R CB 2.318 32.632 30.300 0.024 0.000 1.199 244 R HN 0.914 nan 8.270 nan 0.000 0.443 245 R N 3.705 124.327 120.500 0.204 0.000 2.561 245 R HA 0.461 4.810 4.340 0.015 0.000 0.297 245 R C -1.034 175.304 176.300 0.064 0.000 0.969 245 R CA -0.617 55.589 56.100 0.177 0.000 0.879 245 R CB 1.361 31.821 30.300 0.265 0.000 1.178 245 R HN 0.563 nan 8.270 nan 0.000 0.445 246 R N 4.205 124.717 120.500 0.019 0.000 2.422 246 R HA 0.182 4.531 4.340 0.015 0.000 0.307 246 R C -0.453 175.845 176.300 -0.005 0.000 1.004 246 R CA -0.569 55.533 56.100 0.003 0.000 0.882 246 R CB 1.244 31.532 30.300 -0.020 0.000 1.164 246 R HN 0.925 nan 8.270 nan 0.000 0.489 247 D N 1.781 122.184 120.400 0.005 0.000 4.207 247 D HA -0.326 4.323 4.640 0.015 0.000 0.160 247 D C 0.558 176.853 176.300 -0.008 0.000 0.724 247 D CA 1.583 55.582 54.000 -0.002 0.000 1.104 247 D CB -0.179 40.616 40.800 -0.008 0.000 0.509 247 D HN 0.445 nan 8.370 nan 0.000 0.475 248 K N 1.235 121.626 120.400 -0.016 0.000 2.353 248 K HA 0.414 4.743 4.320 0.015 0.000 0.195 248 K C 0.243 176.829 176.600 -0.024 0.000 1.031 248 K CA 0.481 56.756 56.287 -0.021 0.000 1.079 248 K CB 0.753 33.240 32.500 -0.021 0.000 0.857 248 K HN 0.359 nan 8.250 nan 0.000 0.535 249 A N 1.945 124.747 122.820 -0.031 0.000 2.347 249 A HA 0.265 4.594 4.320 0.015 0.000 0.287 249 A C -0.614 176.938 177.584 -0.054 0.000 1.199 249 A CA -0.345 51.658 52.037 -0.057 0.000 0.851 249 A CB 0.219 19.160 19.000 -0.098 0.000 1.118 249 A HN 0.201 nan 8.150 nan 0.000 0.525 250 L N 3.769 124.969 121.223 -0.039 0.000 2.322 250 L HA 0.584 4.934 4.340 0.015 0.000 0.281 250 L C -0.471 176.394 176.870 -0.008 0.000 1.014 250 L CA -0.428 54.418 54.840 0.010 0.000 0.815 250 L CB 1.381 43.450 42.059 0.017 0.000 1.247 250 L HN 0.835 nan 8.230 nan 0.000 0.421 251 R N 2.905 123.425 120.500 0.033 0.000 2.534 251 R HA 0.560 4.909 4.340 0.015 0.000 0.301 251 R C -0.785 175.641 176.300 0.209 0.000 0.961 251 R CA -0.468 55.674 56.100 0.069 0.000 0.871 251 R CB 2.399 32.656 30.300 -0.073 0.000 1.170 251 R HN 0.660 nan 8.270 nan 0.000 0.446 252 T N 0.792 115.499 114.554 0.254 0.000 2.654 252 T HA 0.437 4.796 4.350 0.015 0.000 0.289 252 T C -1.834 172.998 174.700 0.220 0.000 1.062 252 T CA -0.663 61.576 62.100 0.231 0.000 1.041 252 T CB 1.676 70.664 68.868 0.201 0.000 1.417 252 T HN 0.756 nan 8.240 nan 0.000 0.510 253 E N 0.130 120.431 120.200 0.169 0.000 2.375 253 E HA 0.612 4.971 4.350 0.015 0.000 0.280 253 E C -1.646 175.013 176.600 0.098 0.000 0.972 253 E CA -1.270 55.213 56.400 0.139 0.000 0.782 253 E CB 1.493 31.283 29.700 0.150 0.000 1.229 253 E HN 0.712 nan 8.360 nan 0.000 0.439 254 A N 2.916 125.781 122.820 0.074 0.000 2.294 254 A HA 0.477 4.806 4.320 0.015 0.000 0.316 254 A C -0.961 176.651 177.584 0.046 0.000 1.359 254 A CA -0.622 51.447 52.037 0.054 0.000 0.956 254 A CB 0.121 19.147 19.000 0.042 0.000 1.155 254 A HN 0.433 nan 8.150 nan 0.000 0.544 255 L N 3.401 124.642 121.223 0.030 0.000 2.335 255 L HA 0.715 5.064 4.340 0.015 0.000 0.268 255 L C 0.006 176.849 176.870 -0.045 0.000 1.037 255 L CA 0.354 55.189 54.840 -0.008 0.000 0.895 255 L CB 0.663 42.701 42.059 -0.035 0.000 1.266 255 L HN 0.786 nan 8.230 nan 0.000 0.439 256 A N 3.053 125.874 122.820 0.003 0.000 2.547 256 A HA 0.863 5.192 4.320 0.015 0.000 0.297 256 A C -0.179 177.451 177.584 0.077 0.000 1.056 256 A CA -0.097 51.956 52.037 0.026 0.000 0.688 256 A CB 1.397 20.418 19.000 0.035 0.000 1.282 256 A HN 1.342 nan 8.150 nan 0.000 0.400 257 G N 0.750 109.622 108.800 0.120 0.000 3.225 257 G HA2 0.474 4.444 3.960 0.015 0.000 0.686 257 G HA3 0.474 4.444 3.960 0.015 0.000 0.686 257 G C -0.681 174.362 174.900 0.238 0.000 1.105 257 G CA -0.192 44.998 45.100 0.152 0.000 0.831 257 G HN 1.490 nan 8.290 nan 0.000 0.578 258 T N 1.326 116.025 114.554 0.242 0.000 2.916 258 T HA 0.812 5.171 4.350 0.015 0.000 0.298 258 T C 0.311 175.129 174.700 0.197 0.000 1.031 258 T CA -0.086 62.158 62.100 0.240 0.000 0.993 258 T CB 2.175 71.192 68.868 0.250 0.000 1.045 258 T HN 1.752 nan 8.240 nan 0.000 0.454 259 V N -0.282 119.712 119.914 0.133 0.000 3.074 259 V HA 0.988 5.117 4.120 0.015 0.000 0.314 259 V C 0.303 176.397 176.094 -0.000 0.000 1.117 259 V CA -1.766 60.583 62.300 0.082 0.000 1.014 259 V CB 1.312 33.203 31.823 0.113 0.000 1.057 259 V HN 1.115 nan 8.190 nan 0.000 0.438 260 A N 1.758 124.559 122.820 -0.031 0.000 2.531 260 A HA 0.229 4.558 4.320 0.015 0.000 0.236 260 A C 0.471 178.031 177.584 -0.040 0.000 1.062 260 A CA 0.201 52.212 52.037 -0.044 0.000 0.760 260 A CB -0.392 18.576 19.000 -0.054 0.000 0.995 260 A HN 1.034 nan 8.150 nan 0.000 0.501 261 N N 0.865 119.538 118.700 -0.045 0.000 2.381 261 N HA 0.198 4.947 4.740 0.015 0.000 0.254 261 N C -0.575 174.918 175.510 -0.028 0.000 1.264 261 N CA -0.139 52.891 53.050 -0.033 0.000 0.942 261 N CB 0.559 39.025 38.487 -0.035 0.000 1.190 261 N HN 0.777 nan 8.380 nan 0.000 0.495 262 N N -0.137 118.551 118.700 -0.020 0.000 2.308 262 N HA 0.363 5.112 4.740 0.015 0.000 0.283 262 N C -2.259 173.244 175.510 -0.013 0.000 1.105 262 N CA -1.408 51.630 53.050 -0.019 0.000 0.840 262 N CB 2.207 40.682 38.487 -0.020 0.000 1.633 262 N HN 0.237 nan 8.380 nan 0.000 0.476 263 P HA -0.111 nan 4.420 nan 0.000 0.215 263 P C -0.477 176.819 177.300 -0.007 0.000 1.157 263 P CA 0.925 64.019 63.100 -0.009 0.000 0.863 263 P CB 0.026 31.720 31.700 -0.010 0.000 0.787 264 D N 1.795 122.191 120.400 -0.007 0.000 2.376 264 D HA -0.079 4.570 4.640 0.015 0.000 0.278 264 D C -0.223 176.075 176.300 -0.002 0.000 1.384 264 D CA 0.217 54.215 54.000 -0.005 0.000 1.033 264 D CB -0.261 40.535 40.800 -0.006 0.000 1.102 264 D HN 0.213 nan 8.370 nan 0.000 0.530 265 D N 3.125 123.525 120.400 0.000 0.000 2.934 265 D HA 0.030 4.679 4.640 0.015 0.000 0.237 265 D C 0.613 176.917 176.300 0.007 0.000 1.158 265 D CA -0.131 53.871 54.000 0.003 0.000 0.971 265 D CB 0.635 41.437 40.800 0.004 0.000 1.123 265 D HN 0.417 nan 8.370 nan 0.000 0.467 266 K N -0.254 120.150 120.400 0.007 0.000 2.765 266 K HA -0.040 4.289 4.320 0.015 0.000 0.168 266 K C 1.427 178.033 176.600 0.011 0.000 1.849 266 K CA -0.082 56.211 56.287 0.010 0.000 1.350 266 K CB 0.271 32.775 32.500 0.007 0.000 2.021 266 K HN -0.049 nan 8.250 nan 0.000 0.603 267 Q N 0.407 120.210 119.800 0.005 0.000 2.172 267 Q HA 0.045 4.394 4.340 0.015 0.000 0.200 267 Q C 1.871 177.875 176.000 0.006 0.000 0.964 267 Q CA 1.347 57.151 55.803 0.002 0.000 0.855 267 Q CB 0.095 28.828 28.738 -0.009 0.000 0.918 267 Q HN 0.305 nan 8.270 nan 0.000 0.444 268 A N 1.130 123.953 122.820 0.006 0.000 1.969 268 A HA -0.246 4.083 4.320 0.015 0.000 0.218 268 A C 2.003 179.602 177.584 0.024 0.000 1.169 268 A CA 1.490 53.533 52.037 0.009 0.000 0.635 268 A CB -0.408 18.595 19.000 0.005 0.000 0.810 268 A HN 0.366 nan 8.150 nan 0.000 0.445 269 Q N -0.721 119.094 119.800 0.024 0.000 2.123 269 Q HA -0.180 4.169 4.340 0.015 0.000 0.199 269 Q C 2.163 178.192 176.000 0.048 0.000 0.966 269 Q CA 1.463 57.286 55.803 0.033 0.000 0.845 269 Q CB -0.133 28.622 28.738 0.027 0.000 0.907 269 Q HN 0.777 nan 8.270 nan 0.000 0.439 270 Q N -0.002 119.825 119.800 0.045 0.000 2.079 270 Q HA -0.132 4.217 4.340 0.015 0.000 0.200 270 Q C 2.139 178.196 176.000 0.095 0.000 0.974 270 Q CA 1.225 57.064 55.803 0.061 0.000 0.840 270 Q CB 0.025 28.787 28.738 0.041 0.000 0.898 270 Q HN 0.397 nan 8.270 nan 0.000 0.430 271 L N -0.422 120.842 121.223 0.068 0.000 2.093 271 L HA -0.106 4.243 4.340 0.015 0.000 0.208 271 L C 2.304 179.279 176.870 0.175 0.000 1.085 271 L CA 1.065 55.956 54.840 0.085 0.000 0.755 271 L CB -0.513 41.554 42.059 0.014 0.000 0.904 271 L HN 0.323 nan 8.230 nan 0.000 0.435 272 G N -0.780 108.094 108.800 0.124 0.000 2.443 272 G HA2 -0.195 3.774 3.960 0.015 0.000 0.219 272 G HA3 -0.195 3.774 3.960 0.015 0.000 0.219 272 G C 1.393 176.370 174.900 0.128 0.000 1.131 272 G CA 0.337 45.511 45.100 0.122 0.000 0.775 272 G HN 0.416 nan 8.290 nan 0.000 0.547 273 E N -1.149 119.127 120.200 0.127 0.000 2.371 273 E HA 0.005 4.364 4.350 0.015 0.000 0.194 273 E C 1.804 178.480 176.600 0.126 0.000 1.012 273 E CA -0.132 56.327 56.400 0.099 0.000 0.860 273 E CB -0.044 29.702 29.700 0.077 0.000 0.811 273 E HN 0.679 nan 8.360 nan 0.000 0.502 274 W N 1.050 122.357 121.300 0.012 0.000 2.453 274 W HA -0.003 4.666 4.660 0.015 0.000 0.289 274 W C 1.634 178.164 176.519 0.017 0.000 1.215 274 W CA 0.569 57.922 57.345 0.013 0.000 1.297 274 W CB 0.020 29.488 29.460 0.013 0.000 1.113 274 W HN -0.027 nan 8.180 nan 0.000 0.551 275 L N 0.729 122.143 121.223 0.320 0.000 2.017 275 L HA -0.228 4.121 4.340 0.015 0.000 0.208 275 L C 2.393 179.198 176.870 -0.109 0.000 1.073 275 L CA 1.903 56.819 54.840 0.126 0.000 0.745 275 L CB -0.634 41.559 42.059 0.224 0.000 0.894 275 L HN 0.107 nan 8.230 nan 0.000 0.432 276 M N -0.430 119.149 119.600 -0.035 0.000 2.346 276 M HA -0.142 4.347 4.480 0.015 0.000 0.263 276 M C 1.533 177.764 176.300 -0.115 0.000 1.064 276 M CA 1.913 57.183 55.300 -0.050 0.000 1.083 276 M CB -0.338 32.255 32.600 -0.011 0.000 1.399 276 M HN 0.243 nan 8.290 nan 0.000 0.435 277 A N -1.814 120.882 122.820 -0.208 0.000 2.419 277 A HA 0.212 4.541 4.320 0.015 0.000 0.233 277 A C 0.341 177.717 177.584 -0.347 0.000 1.217 277 A CA -0.161 51.742 52.037 -0.223 0.000 0.944 277 A CB -0.246 18.653 19.000 -0.168 0.000 1.025 277 A HN 0.442 nan 8.150 nan 0.000 0.524 278 D N 0.109 120.163 120.400 -0.577 0.000 2.351 278 D HA 0.217 4.866 4.640 0.015 0.000 0.251 278 D C 0.326 176.428 176.300 -0.329 0.000 1.137 278 D CA -0.121 53.489 54.000 -0.650 0.000 0.879 278 D CB 0.785 40.809 40.800 -1.292 0.000 1.181 278 D HN 0.089 nan 8.370 nan 0.000 0.448 279 D N 3.118 123.389 120.400 -0.215 0.000 2.084 279 D HA -0.180 4.470 4.640 0.015 0.000 0.194 279 D C 1.620 177.872 176.300 -0.081 0.000 0.990 279 D CA 0.892 54.821 54.000 -0.117 0.000 0.826 279 D CB -0.029 40.724 40.800 -0.078 0.000 0.971 279 D HN 0.544 nan 8.370 nan 0.000 0.453 280 K N 0.765 121.127 120.400 -0.064 0.000 2.034 280 K HA -0.185 4.144 4.320 0.015 0.000 0.214 280 K C 1.720 178.315 176.600 -0.007 0.000 1.051 280 K CA 1.290 57.568 56.287 -0.014 0.000 0.931 280 K CB -0.035 32.481 32.500 0.026 0.000 0.715 280 K HN 0.047 nan 8.250 nan 0.000 0.446 281 N N 0.385 119.069 118.700 -0.027 0.000 2.270 281 N HA -0.148 4.601 4.740 0.015 0.000 0.181 281 N C 1.936 177.440 175.510 -0.010 0.000 1.016 281 N CA 0.916 53.970 53.050 0.006 0.000 0.870 281 N CB -0.054 38.445 38.487 0.020 0.000 0.979 281 N HN 0.277 nan 8.380 nan 0.000 0.431 282 Q N 1.433 121.202 119.800 -0.052 0.000 2.046 282 Q HA -0.064 4.285 4.340 0.015 0.000 0.200 282 Q C 2.406 178.393 176.000 -0.022 0.000 0.975 282 Q CA 2.018 57.795 55.803 -0.043 0.000 0.836 282 Q CB -0.401 28.294 28.738 -0.072 0.000 0.896 282 Q HN 0.348 nan 8.270 nan 0.000 0.428 283 R N 0.988 121.475 120.500 -0.022 0.000 2.070 283 R HA -0.140 4.210 4.340 0.015 0.000 0.233 283 R C 2.017 178.320 176.300 0.004 0.000 1.137 283 R CA 1.894 57.988 56.100 -0.009 0.000 0.945 283 R CB -1.684 28.610 30.300 -0.009 0.000 0.845 283 R HN 0.674 nan 8.270 nan 0.000 0.430 284 E N 0.483 120.691 120.200 0.013 0.000 2.147 284 E HA -0.270 4.089 4.350 0.015 0.000 0.199 284 E C 2.071 178.687 176.600 0.026 0.000 1.005 284 E CA 1.676 58.091 56.400 0.025 0.000 0.810 284 E CB -0.248 29.477 29.700 0.041 0.000 0.736 284 E HN 0.707 nan 8.360 nan 0.000 0.460 285 N N -0.404 118.309 118.700 0.023 0.000 2.171 285 N HA -0.135 4.614 4.740 0.015 0.000 0.184 285 N C 1.856 177.376 175.510 0.017 0.000 1.021 285 N CA 1.085 54.149 53.050 0.024 0.000 0.854 285 N CB -0.012 38.489 38.487 0.023 0.000 0.994 285 N HN 0.191 nan 8.380 nan 0.000 0.426 286 M N 1.263 120.868 119.600 0.009 0.000 2.117 286 M HA -0.047 4.442 4.480 0.015 0.000 0.262 286 M C 2.284 178.589 176.300 0.008 0.000 1.065 286 M CA 0.823 56.127 55.300 0.005 0.000 1.114 286 M CB -1.217 31.382 32.600 -0.002 0.000 1.361 286 M HN 0.170 nan 8.290 nan 0.000 0.408 287 L N -0.967 120.262 121.223 0.010 0.000 2.079 287 L HA -0.214 4.136 4.340 0.015 0.000 0.210 287 L C 2.385 179.264 176.870 0.015 0.000 1.081 287 L CA 0.784 55.630 54.840 0.011 0.000 0.752 287 L CB -0.810 41.256 42.059 0.012 0.000 0.896 287 L HN 0.074 nan 8.230 nan 0.000 0.433 288 V N -0.425 119.501 119.914 0.020 0.000 2.427 288 V HA -0.210 3.919 4.120 0.015 0.000 0.248 288 V C 2.464 178.573 176.094 0.024 0.000 1.051 288 V CA 1.617 63.931 62.300 0.025 0.000 1.048 288 V CB -0.158 31.683 31.823 0.030 0.000 0.666 288 V HN 0.468 nan 8.190 nan 0.000 0.456 289 V N -0.791 119.137 119.914 0.022 0.000 2.358 289 V HA -0.204 3.925 4.120 0.015 0.000 0.246 289 V C 2.134 178.239 176.094 0.018 0.000 1.047 289 V CA 2.167 64.481 62.300 0.023 0.000 1.035 289 V CB -0.656 31.179 31.823 0.019 0.000 0.658 289 V HN 0.597 nan 8.190 nan 0.000 0.452 290 E N 0.365 120.572 120.200 0.013 0.000 2.110 290 E HA -0.245 4.114 4.350 0.015 0.000 0.193 290 E C 1.910 178.515 176.600 0.008 0.000 0.988 290 E CA 1.693 58.098 56.400 0.009 0.000 0.804 290 E CB -0.228 29.475 29.700 0.005 0.000 0.745 290 E HN 0.868 nan 8.360 nan 0.000 0.458 291 D N 0.621 121.027 120.400 0.010 0.000 2.097 291 D HA -0.155 4.494 4.640 0.015 0.000 0.195 291 D C 1.845 178.150 176.300 0.007 0.000 0.989 291 D CA 1.117 55.121 54.000 0.008 0.000 0.827 291 D CB -0.018 40.789 40.800 0.011 0.000 0.966 291 D HN 0.079 nan 8.370 nan 0.000 0.456 292 I N 0.017 120.596 120.570 0.015 0.000 2.208 292 I HA -0.315 3.864 4.170 0.015 0.000 0.245 292 I C 2.368 178.493 176.117 0.013 0.000 1.097 292 I CA 0.582 61.892 61.300 0.018 0.000 1.363 292 I CB -0.256 37.765 38.000 0.035 0.000 1.051 292 I HN 0.311 nan 8.210 nan 0.000 0.413 293 C N 0.295 119.604 119.300 0.014 0.000 2.453 293 C HA -0.203 4.266 4.460 0.015 0.000 0.277 293 C C 3.409 178.401 174.990 0.002 0.000 1.262 293 C CA 1.584 60.609 59.018 0.011 0.000 1.718 293 C CB -1.404 26.343 27.740 0.013 0.000 2.031 293 C HN 0.617 nan 8.230 nan 0.000 0.480 294 Q N 0.458 120.258 119.800 -0.001 0.000 2.084 294 Q HA -0.205 4.144 4.340 0.015 0.000 0.202 294 Q C 1.994 177.986 176.000 -0.013 0.000 0.978 294 Q CA 1.846 57.645 55.803 -0.007 0.000 0.844 294 Q CB -0.829 27.906 28.738 -0.006 0.000 0.898 294 Q HN 0.768 nan 8.270 nan 0.000 0.426 295 R N -0.450 120.042 120.500 -0.014 0.000 2.293 295 R HA 0.004 4.353 4.340 0.015 0.000 0.219 295 R C 1.332 177.612 176.300 -0.034 0.000 1.091 295 R CA 1.407 57.492 56.100 -0.024 0.000 1.004 295 R CB -0.107 30.178 30.300 -0.025 0.000 0.865 295 R HN 0.639 nan 8.270 nan 0.000 0.469 296 L N -2.906 118.301 121.223 -0.027 0.000 3.410 296 L HA 0.195 4.544 4.340 0.015 0.000 0.309 296 L C 1.628 178.482 176.870 -0.026 0.000 1.254 296 L CA -0.177 54.642 54.840 -0.035 0.000 1.048 296 L CB -0.022 42.011 42.059 -0.042 0.000 1.442 296 L HN -0.130 nan 8.230 nan 0.000 0.615 297 Q N 1.809 121.598 119.800 -0.019 0.000 2.124 297 Q HA -0.154 4.195 4.340 0.015 0.000 0.202 297 Q C 1.801 177.789 176.000 -0.020 0.000 0.977 297 Q CA 2.309 58.104 55.803 -0.014 0.000 0.850 297 Q CB -0.175 28.557 28.738 -0.010 0.000 0.901 297 Q HN 0.599 nan 8.270 nan 0.000 0.429 298 A N 1.496 124.300 122.820 -0.026 0.000 1.972 298 A HA -0.145 4.184 4.320 0.015 0.000 0.219 298 A C 1.467 179.030 177.584 -0.036 0.000 1.169 298 A CA 1.553 53.572 52.037 -0.030 0.000 0.635 298 A CB -0.231 18.749 19.000 -0.034 0.000 0.810 298 A HN 0.485 nan 8.150 nan 0.000 0.446 299 D N -0.995 119.379 120.400 -0.044 0.000 2.342 299 D HA 0.127 4.776 4.640 0.015 0.000 0.221 299 D C -0.098 176.174 176.300 -0.047 0.000 1.101 299 D CA 0.493 54.461 54.000 -0.054 0.000 0.837 299 D CB 0.451 41.206 40.800 -0.075 0.000 0.938 299 D HN 0.247 nan 8.370 nan 0.000 0.508 300 T N -0.162 114.372 114.554 -0.032 0.000 2.883 300 T HA 0.224 4.583 4.350 0.015 0.000 0.301 300 T C 0.278 174.973 174.700 -0.009 0.000 1.158 300 T CA -0.599 61.489 62.100 -0.021 0.000 1.007 300 T CB 2.696 71.555 68.868 -0.014 0.000 1.186 300 T HN -0.200 nan 8.240 nan 0.000 0.499 301 Q N 0.468 120.267 119.800 -0.001 0.000 2.763 301 Q HA 0.270 4.619 4.340 0.015 0.000 0.248 301 Q C 0.409 176.417 176.000 0.013 0.000 1.149 301 Q CA -0.266 55.541 55.803 0.006 0.000 0.781 301 Q CB -0.287 28.457 28.738 0.011 0.000 4.267 301 Q HN 0.762 nan 8.270 nan 0.000 0.430 302 T N -0.402 114.165 114.554 0.021 0.000 2.897 302 T HA 0.495 4.854 4.350 0.015 0.000 0.294 302 T C -0.113 174.612 174.700 0.042 0.000 1.004 302 T CA -0.556 61.560 62.100 0.026 0.000 1.106 302 T CB 0.276 69.159 68.868 0.024 0.000 0.949 302 T HN 0.205 nan 8.240 nan 0.000 0.520 303 L N 2.947 124.194 121.223 0.040 0.000 2.264 303 L HA 0.346 4.695 4.340 0.015 0.000 0.289 303 L C 0.146 177.047 176.870 0.053 0.000 1.044 303 L CA -0.615 54.259 54.840 0.056 0.000 0.807 303 L CB 0.724 42.809 42.059 0.043 0.000 1.192 303 L HN 0.671 nan 8.230 nan 0.000 0.425 304 D N 3.713 124.159 120.400 0.078 0.000 2.347 304 D HA 0.197 4.846 4.640 0.015 0.000 0.235 304 D C -0.404 175.899 176.300 0.006 0.000 1.149 304 D CA -0.172 53.852 54.000 0.041 0.000 0.850 304 D CB 2.198 43.031 40.800 0.056 0.000 1.061 304 D HN 0.085 nan 8.370 nan 0.000 0.487 305 V N 4.218 124.119 119.914 -0.021 0.000 2.406 305 V HA 0.196 4.325 4.120 0.015 0.000 0.272 305 V C 0.895 176.927 176.094 -0.103 0.000 1.043 305 V CA -0.641 61.632 62.300 -0.046 0.000 0.915 305 V CB 0.928 32.738 31.823 -0.021 0.000 0.988 305 V HN 0.315 nan 8.190 nan 0.000 0.466 306 L N 6.218 127.337 121.223 -0.172 0.000 2.468 306 L HA 0.412 4.761 4.340 0.015 0.000 0.254 306 L C -2.100 174.691 176.870 -0.132 0.000 1.171 306 L CA -1.807 52.900 54.840 -0.221 0.000 0.809 306 L CB 0.675 42.500 42.059 -0.390 0.000 1.155 306 L HN 0.388 nan 8.230 nan 0.000 0.473 307 P HA 0.085 nan 4.420 nan 0.000 0.268 307 P C -2.439 174.827 177.300 -0.058 0.000 1.205 307 P CA -0.893 62.162 63.100 -0.074 0.000 0.771 307 P CB -0.277 31.383 31.700 -0.067 0.000 0.858 308 P HA 0.079 nan 4.420 nan 0.000 0.268 308 P C -0.505 176.791 177.300 -0.006 0.000 1.205 308 P CA 0.309 63.399 63.100 -0.016 0.000 0.771 308 P CB 0.583 32.277 31.700 -0.010 0.000 0.858 309 Q N 0.836 120.642 119.800 0.011 0.000 2.458 309 Q HA 0.472 4.821 4.340 0.015 0.000 0.282 309 Q C -0.955 175.073 176.000 0.047 0.000 1.106 309 Q CA -1.065 54.752 55.803 0.024 0.000 0.814 309 Q CB 2.428 31.179 28.738 0.023 0.000 1.425 309 Q HN 0.157 nan 8.270 nan 0.000 0.437 310 V N 2.283 122.228 119.914 0.052 0.000 2.383 310 V HA 0.295 4.424 4.120 0.015 0.000 0.275 310 V C -0.271 175.865 176.094 0.071 0.000 1.036 310 V CA -0.702 61.640 62.300 0.071 0.000 0.889 310 V CB 1.176 33.037 31.823 0.065 0.000 0.985 310 V HN 0.536 nan 8.190 nan 0.000 0.459 311 L N 6.188 127.470 121.223 0.098 0.000 2.257 311 L HA 0.534 4.883 4.340 0.015 0.000 0.290 311 L C 0.156 177.063 176.870 0.062 0.000 1.044 311 L CA -0.146 54.749 54.840 0.093 0.000 0.810 311 L CB 0.965 43.106 42.059 0.137 0.000 1.193 311 L HN 0.711 nan 8.230 nan 0.000 0.425 312 R N 5.183 125.705 120.500 0.037 0.000 2.221 312 R HA 0.631 4.980 4.340 0.015 0.000 0.327 312 R C -1.105 175.199 176.300 0.006 0.000 1.033 312 R CA -0.271 55.835 56.100 0.010 0.000 0.887 312 R CB 0.445 30.752 30.300 0.011 0.000 1.057 312 R HN 0.807 nan 8.270 nan 0.000 0.455 313 L N 2.919 124.131 121.223 -0.018 0.000 2.558 313 L HA 0.512 4.861 4.340 0.015 0.000 0.260 313 L C 1.706 178.569 176.870 -0.012 0.000 1.130 313 L CA -1.176 53.661 54.840 -0.005 0.000 1.049 313 L CB 0.393 42.455 42.059 0.003 0.000 1.758 313 L HN 0.593 nan 8.230 nan 0.000 0.555 314 R N -0.169 120.330 120.500 -0.003 0.000 2.057 314 R HA -0.019 4.330 4.340 0.015 0.000 0.229 314 R C 1.504 177.795 176.300 -0.015 0.000 1.136 314 R CA 1.310 57.408 56.100 -0.003 0.000 0.952 314 R CB 0.198 30.502 30.300 0.007 0.000 0.848 314 R HN 0.364 nan 8.270 nan 0.000 0.430 315 K N -0.779 119.609 120.400 -0.020 0.000 2.380 315 K HA 0.237 4.566 4.320 0.015 0.000 0.198 315 K C -0.542 176.030 176.600 -0.046 0.000 1.070 315 K CA 0.121 56.393 56.287 -0.025 0.000 1.040 315 K CB 1.612 34.105 32.500 -0.012 0.000 0.903 315 K HN -0.003 nan 8.250 nan 0.000 0.549 316 V N 1.081 120.946 119.914 -0.081 0.000 3.012 316 V HA 0.284 4.413 4.120 0.015 0.000 0.307 316 V C -1.440 174.512 176.094 -0.237 0.000 1.166 316 V CA -0.804 61.400 62.300 -0.160 0.000 0.974 316 V CB 2.746 34.460 31.823 -0.182 0.000 1.040 316 V HN 0.048 nan 8.190 nan 0.000 0.428 317 Q N 2.993 122.645 119.800 -0.246 0.000 2.375 317 Q HA 0.615 4.964 4.340 0.015 0.000 0.271 317 Q C -1.730 174.155 176.000 -0.191 0.000 1.074 317 Q CA -0.880 54.813 55.803 -0.184 0.000 0.808 317 Q CB 2.590 31.307 28.738 -0.035 0.000 1.327 317 Q HN 0.687 nan 8.270 nan 0.000 0.441 318 H N 1.313 120.429 119.070 0.077 0.000 2.600 318 H HA 0.288 4.853 4.556 0.015 0.000 0.357 318 H C -0.936 174.436 175.328 0.073 0.000 1.106 318 H CA -0.803 55.293 56.048 0.081 0.000 1.193 318 H CB 1.563 31.375 29.762 0.082 0.000 1.594 318 H HN 0.376 nan 8.280 nan 0.000 0.526 319 L N 2.998 124.350 121.223 0.215 0.000 2.477 319 L HA 0.165 4.514 4.340 0.015 0.000 0.272 319 L C 0.560 177.493 176.870 0.106 0.000 1.157 319 L CA 0.605 55.521 54.840 0.127 0.000 0.889 319 L CB -0.198 41.917 42.059 0.093 0.000 1.158 319 L HN 0.527 nan 8.230 nan 0.000 0.473 320 R N 4.050 124.601 120.500 0.085 0.000 2.561 320 R HA 0.608 4.957 4.340 0.015 0.000 0.297 320 R C -0.972 175.353 176.300 0.042 0.000 0.969 320 R CA -0.885 55.257 56.100 0.070 0.000 0.879 320 R CB 1.146 31.497 30.300 0.085 0.000 1.178 320 R HN 0.599 nan 8.270 nan 0.000 0.445 321 R N 3.762 124.283 120.500 0.036 0.000 2.435 321 R HA 0.365 4.714 4.340 0.015 0.000 0.308 321 R C -1.265 175.049 176.300 0.024 0.000 0.975 321 R CA -0.339 55.768 56.100 0.011 0.000 0.867 321 R CB 1.066 31.370 30.300 0.006 0.000 1.171 321 R HN 0.645 nan 8.270 nan 0.000 0.470 322 C N 4.979 124.277 119.300 -0.002 0.000 2.601 322 C HA 0.450 4.919 4.460 0.015 0.000 0.409 322 C C 0.231 175.230 174.990 0.014 0.000 1.293 322 C CA -0.299 58.741 59.018 0.036 0.000 2.101 322 C CB -0.223 27.517 27.740 -0.000 0.000 2.639 322 C HN 0.693 nan 8.230 nan 0.000 0.592 323 I N 2.706 123.382 120.570 0.178 0.000 2.439 323 I HA 0.356 4.535 4.170 0.015 0.000 0.285 323 I C -0.939 175.448 176.117 0.450 0.000 1.021 323 I CA -0.071 61.348 61.300 0.198 0.000 1.091 323 I CB 0.943 39.027 38.000 0.139 0.000 1.242 323 I HN 0.560 nan 8.210 nan 0.000 0.439 324 W N 4.700 126.024 121.300 0.040 0.000 2.666 324 W HA 0.771 5.440 4.660 0.015 0.000 0.334 324 W C 0.248 176.785 176.519 0.029 0.000 1.051 324 W CA -0.824 56.546 57.345 0.041 0.000 1.224 324 W CB 1.926 31.409 29.460 0.038 0.000 1.405 324 W HN 0.332 nan 8.180 nan 0.000 0.513 325 T N 0.641 115.316 114.554 0.201 0.000 2.693 325 T HA 0.537 4.896 4.350 0.015 0.000 0.304 325 T C -1.407 173.324 174.700 0.051 0.000 1.471 325 T CA -0.471 61.697 62.100 0.113 0.000 0.993 325 T CB 0.972 69.889 68.868 0.082 0.000 1.554 325 T HN 0.086 nan 8.240 nan 0.000 0.496 326 S N 1.443 117.162 115.700 0.032 0.000 2.478 326 S HA 0.628 5.107 4.470 0.015 0.000 0.312 326 S C -0.399 174.196 174.600 -0.009 0.000 1.094 326 S CA -0.595 57.608 58.200 0.006 0.000 1.081 326 S CB 0.730 63.934 63.200 0.007 0.000 1.007 326 S HN 0.556 nan 8.310 nan 0.000 0.475 327 L N 3.408 124.616 121.223 -0.025 0.000 2.456 327 L HA 0.181 4.530 4.340 0.015 0.000 0.272 327 L C 1.443 178.291 176.870 -0.037 0.000 1.189 327 L CA -0.490 54.325 54.840 -0.043 0.000 0.846 327 L CB 0.326 42.346 42.059 -0.065 0.000 1.111 327 L HN 0.591 nan 8.230 nan 0.000 0.475 328 N N 1.837 120.513 118.700 -0.040 0.000 2.205 328 N HA -0.121 4.628 4.740 0.015 0.000 0.186 328 N C -0.199 175.288 175.510 -0.039 0.000 1.015 328 N CA 1.207 54.236 53.050 -0.035 0.000 0.862 328 N CB -0.081 38.384 38.487 -0.037 0.000 0.986 328 N HN 0.584 nan 8.380 nan 0.000 0.429 329 K N -1.645 118.725 120.400 -0.050 0.000 2.527 329 K HA 0.662 4.991 4.320 0.015 0.000 0.260 329 K C -1.490 175.074 176.600 -0.060 0.000 0.937 329 K CA -0.945 55.312 56.287 -0.050 0.000 0.826 329 K CB 2.021 34.490 32.500 -0.052 0.000 1.359 329 K HN -0.153 nan 8.250 nan 0.000 0.434 330 A N 2.229 125.019 122.820 -0.050 0.000 2.475 330 A HA 0.174 4.503 4.320 0.015 0.000 0.293 330 A C -0.714 176.833 177.584 -0.062 0.000 1.252 330 A CA 0.319 52.327 52.037 -0.049 0.000 0.920 330 A CB -0.485 18.497 19.000 -0.029 0.000 1.125 330 A HN 0.667 nan 8.150 nan 0.000 0.528 331 D N 2.288 122.631 120.400 -0.095 0.000 2.375 331 D HA 0.131 4.780 4.640 0.015 0.000 0.241 331 D C -0.355 175.837 176.300 -0.181 0.000 1.361 331 D CA -0.373 53.558 54.000 -0.114 0.000 0.995 331 D CB 0.985 41.717 40.800 -0.114 0.000 1.312 331 D HN 0.412 nan 8.370 nan 0.000 0.576 332 D N 1.931 122.245 120.400 -0.143 0.000 2.312 332 D HA -0.085 4.564 4.640 0.015 0.000 0.211 332 D C 2.011 178.131 176.300 -0.301 0.000 0.964 332 D CA 0.625 54.494 54.000 -0.218 0.000 0.877 332 D CB 0.777 41.622 40.800 0.074 0.000 0.924 332 D HN 0.378 nan 8.370 nan 0.000 0.515 333 V N -0.228 119.581 119.914 -0.176 0.000 2.591 333 V HA -0.096 4.033 4.120 0.015 0.000 0.249 333 V C 2.067 178.084 176.094 -0.127 0.000 1.053 333 V CA 0.757 62.999 62.300 -0.096 0.000 1.068 333 V CB -0.358 31.418 31.823 -0.079 0.000 0.689 333 V HN 0.017 nan 8.190 nan 0.000 0.462 334 I N 0.020 120.467 120.570 -0.206 0.000 2.315 334 I HA -0.213 3.966 4.170 0.015 0.000 0.248 334 I C 2.708 178.634 176.117 -0.318 0.000 1.117 334 I CA 1.765 62.939 61.300 -0.210 0.000 1.404 334 I CB -0.506 37.385 38.000 -0.182 0.000 1.071 334 I HN 0.398 nan 8.210 nan 0.000 0.419 335 C N 0.110 119.072 119.300 -0.564 0.000 2.462 335 C HA -0.148 4.321 4.460 0.015 0.000 0.278 335 C C 2.687 177.201 174.990 -0.794 0.000 1.253 335 C CA 0.288 58.772 59.018 -0.890 0.000 1.713 335 C CB -0.961 25.683 27.740 -1.826 0.000 2.049 335 C HN 0.478 nan 8.230 nan 0.000 0.477 336 L N 0.320 121.045 121.223 -0.831 0.000 1.990 336 L HA -0.220 4.129 4.340 0.015 0.000 0.213 336 L C 2.729 179.397 176.870 -0.338 0.000 1.072 336 L CA 1.974 56.549 54.840 -0.441 0.000 0.755 336 L CB -0.801 41.068 42.059 -0.317 0.000 0.889 336 L HN 0.553 nan 8.230 nan 0.000 0.432 337 H N -1.284 117.633 119.070 -0.254 0.000 2.512 337 H HA -0.039 4.526 4.556 0.015 0.000 0.279 337 H C 2.107 177.336 175.328 -0.164 0.000 0.999 337 H CA 0.563 56.500 56.048 -0.185 0.000 1.283 337 H CB 0.523 30.188 29.762 -0.162 0.000 1.421 337 H HN 0.472 nan 8.280 nan 0.000 0.554 338 Q N 0.446 120.191 119.800 -0.092 0.000 2.212 338 Q HA 0.037 4.386 4.340 0.015 0.000 0.199 338 Q C 2.369 178.315 176.000 -0.091 0.000 0.950 338 Q CA 0.487 56.235 55.803 -0.092 0.000 0.863 338 Q CB 0.332 29.007 28.738 -0.105 0.000 0.944 338 Q HN 0.469 nan 8.270 nan 0.000 0.465 339 L N -0.414 120.742 121.223 -0.111 0.000 2.357 339 L HA 0.109 4.458 4.340 0.015 0.000 0.211 339 L C 1.402 178.237 176.870 -0.057 0.000 1.075 339 L CA 0.103 54.910 54.840 -0.054 0.000 0.830 339 L CB 0.163 42.224 42.059 0.002 0.000 0.996 339 L HN 0.138 nan 8.230 nan 0.000 0.467 340 Q N 0.724 120.455 119.800 -0.114 0.000 2.317 340 Q HA 0.219 4.568 4.340 0.015 0.000 0.229 340 Q C -2.131 173.744 176.000 -0.208 0.000 0.984 340 Q CA -1.776 53.937 55.803 -0.151 0.000 0.911 340 Q CB 0.726 29.345 28.738 -0.199 0.000 1.217 340 Q HN -0.181 nan 8.270 nan 0.000 0.501 341 P HA -0.223 nan 4.420 nan 0.000 0.241 341 P C -1.204 176.056 177.300 -0.068 0.000 1.051 341 P CA 0.879 63.848 63.100 -0.218 0.000 0.772 341 P CB -0.242 31.265 31.700 -0.321 0.000 0.628 342 T N 2.518 117.073 114.554 0.002 0.000 2.913 342 T HA 0.305 4.664 4.350 0.015 0.000 0.297 342 T C 1.698 176.425 174.700 0.046 0.000 1.029 342 T CA 0.250 62.367 62.100 0.027 0.000 1.104 342 T CB 1.069 69.965 68.868 0.047 0.000 0.964 342 T HN 0.424 nan 8.240 nan 0.000 0.532 343 A N 2.287 125.129 122.820 0.037 0.000 1.948 343 A HA -0.039 4.290 4.320 0.015 0.000 0.220 343 A C 2.468 180.087 177.584 0.058 0.000 1.177 343 A CA 1.875 53.938 52.037 0.043 0.000 0.636 343 A CB -1.086 17.933 19.000 0.031 0.000 0.815 343 A HN 0.943 nan 8.150 nan 0.000 0.449 344 A N -1.521 121.334 122.820 0.058 0.000 2.125 344 A HA 0.163 4.492 4.320 0.015 0.000 0.219 344 A C 1.974 179.612 177.584 0.090 0.000 1.156 344 A CA 1.741 53.817 52.037 0.065 0.000 0.671 344 A CB -0.287 18.743 19.000 0.050 0.000 0.794 344 A HN 0.512 nan 8.150 nan 0.000 0.459 345 V N -2.647 117.330 119.914 0.104 0.000 3.572 345 V HA 0.298 4.427 4.120 0.015 0.000 0.260 345 V C 2.065 178.275 176.094 0.193 0.000 1.324 345 V CA 1.156 63.537 62.300 0.136 0.000 1.068 345 V CB 0.611 32.508 31.823 0.123 0.000 0.837 345 V HN 0.564 nan 8.190 nan 0.000 0.450 346 A N -0.946 121.985 122.820 0.185 0.000 2.080 346 A HA 0.765 5.094 4.320 0.015 0.000 0.211 346 A C 1.176 178.834 177.584 0.124 0.000 1.708 346 A CA 1.126 53.287 52.037 0.207 0.000 0.825 346 A CB 0.209 19.322 19.000 0.189 0.000 1.261 346 A HN 1.030 nan 8.150 nan 0.000 0.573 347 G N -3.171 105.678 108.800 0.082 0.000 2.260 347 G HA2 0.440 4.409 3.960 0.015 0.000 0.250 347 G HA3 0.440 4.409 3.960 0.015 0.000 0.250 347 G C 0.806 175.723 174.900 0.030 0.000 1.340 347 G CA 0.104 45.233 45.100 0.049 0.000 1.056 347 G HN 1.616 nan 8.290 nan 0.000 0.471 348 L N 0.219 121.449 121.223 0.012 0.000 2.434 348 L HA 0.254 4.603 4.340 0.015 0.000 0.245 348 L C -0.636 176.239 176.870 0.009 0.000 1.053 348 L CA 2.868 57.710 54.840 0.004 0.000 0.888 348 L CB -2.677 39.376 42.059 -0.010 0.000 0.944 348 L HN 0.847 nan 8.230 nan 0.000 0.408 349 P HA 0.451 nan 4.420 nan 0.000 0.271 349 P C 0.897 178.207 177.300 0.017 0.000 1.233 349 P CA 0.518 63.624 63.100 0.010 0.000 0.764 349 P CB 0.458 32.164 31.700 0.010 0.000 0.825 350 R N 3.362 123.869 120.500 0.012 0.000 2.112 350 R HA -0.255 4.094 4.340 0.015 0.000 0.242 350 R C 1.988 178.303 176.300 0.024 0.000 1.137 350 R CA 2.987 59.095 56.100 0.014 0.000 0.944 350 R CB -2.380 27.915 30.300 -0.009 0.000 0.857 350 R HN 0.594 nan 8.270 nan 0.000 0.435 351 D N 0.556 120.965 120.400 0.015 0.000 2.144 351 D HA 0.078 4.727 4.640 0.015 0.000 0.199 351 D C 2.226 178.555 176.300 0.048 0.000 0.984 351 D CA 1.323 55.336 54.000 0.020 0.000 0.834 351 D CB -0.223 40.581 40.800 0.008 0.000 0.955 351 D HN 0.489 nan 8.370 nan 0.000 0.465 352 L N -0.137 121.117 121.223 0.052 0.000 2.056 352 L HA 0.005 4.354 4.340 0.015 0.000 0.207 352 L C 3.342 180.285 176.870 0.121 0.000 1.078 352 L CA 1.196 56.084 54.840 0.079 0.000 0.749 352 L CB -0.267 41.826 42.059 0.057 0.000 0.901 352 L HN 0.368 nan 8.230 nan 0.000 0.433 353 A N 0.147 123.022 122.820 0.093 0.000 1.902 353 A HA -0.195 4.134 4.320 0.015 0.000 0.217 353 A C 2.376 180.070 177.584 0.184 0.000 1.181 353 A CA 1.464 53.570 52.037 0.114 0.000 0.623 353 A CB -0.417 18.630 19.000 0.079 0.000 0.818 353 A HN 0.323 nan 8.150 nan 0.000 0.443 354 R N -0.823 119.766 120.500 0.148 0.000 2.075 354 R HA -0.139 4.210 4.340 0.015 0.000 0.232 354 R C 2.566 178.954 176.300 0.147 0.000 1.126 354 R CA 1.431 57.629 56.100 0.164 0.000 0.963 354 R CB -0.395 29.954 30.300 0.082 0.000 0.858 354 R HN 0.797 nan 8.270 nan 0.000 0.435 355 Q N 0.397 120.268 119.800 0.118 0.000 2.112 355 Q HA -0.234 4.115 4.340 0.015 0.000 0.206 355 Q C 1.833 177.901 176.000 0.114 0.000 0.987 355 Q CA 1.708 57.563 55.803 0.087 0.000 0.858 355 Q CB -0.179 28.605 28.738 0.076 0.000 0.905 355 Q HN 0.308 nan 8.270 nan 0.000 0.420 356 F N 0.599 120.594 119.950 0.076 0.000 2.102 356 F HA -0.197 4.339 4.527 0.015 0.000 0.298 356 F C 1.930 177.801 175.800 0.118 0.000 1.105 356 F CA 1.552 59.632 58.000 0.135 0.000 1.239 356 F CB -0.093 38.968 39.000 0.101 0.000 0.991 356 F HN 0.075 nan 8.300 nan 0.000 0.474 357 I N 0.077 120.838 120.570 0.318 0.000 2.163 357 I HA -0.368 3.811 4.170 0.015 0.000 0.243 357 I C 2.682 178.811 176.117 0.019 0.000 1.085 357 I CA 1.351 62.754 61.300 0.171 0.000 1.347 357 I CB -0.917 37.176 38.000 0.155 0.000 1.044 357 I HN 0.217 nan 8.210 nan 0.000 0.408 358 A N 0.552 123.383 122.820 0.019 0.000 1.917 358 A HA -0.239 4.090 4.320 0.015 0.000 0.219 358 A C 2.407 179.901 177.584 -0.151 0.000 1.182 358 A CA 1.831 53.838 52.037 -0.050 0.000 0.633 358 A CB -0.576 18.410 19.000 -0.024 0.000 0.819 358 A HN 0.361 nan 8.150 nan 0.000 0.448 359 R N -2.395 117.953 120.500 -0.253 0.000 2.127 359 R HA 0.045 4.394 4.340 0.015 0.000 0.217 359 R C 1.462 177.368 176.300 -0.657 0.000 1.074 359 R CA 1.192 56.985 56.100 -0.512 0.000 0.991 359 R CB -0.055 29.789 30.300 -0.760 0.000 0.895 359 R HN 0.669 nan 8.270 nan 0.000 0.450 360 H N -1.207 117.710 119.070 -0.255 0.000 3.255 360 H HA 0.127 4.692 4.556 0.015 0.000 0.256 360 H C -0.155 175.120 175.328 -0.089 0.000 1.049 360 H CA -0.154 55.758 56.048 -0.227 0.000 1.202 360 H CB 0.642 30.124 29.762 -0.466 0.000 1.497 360 H HN 0.112 nan 8.280 nan 0.000 0.503 361 E N 3.847 124.040 120.200 -0.012 0.000 2.159 361 E HA 0.063 4.422 4.350 0.015 0.000 0.272 361 E C -1.987 174.524 176.600 -0.148 0.000 1.138 361 E CA -1.727 54.619 56.400 -0.090 0.000 0.915 361 E CB 0.841 30.389 29.700 -0.252 0.000 1.028 361 E HN 0.071 nan 8.360 nan 0.000 0.423 362 P HA 0.046 nan 4.420 nan 0.000 0.279 362 P C -1.180 176.278 177.300 0.262 0.000 1.451 362 P CA 0.459 63.684 63.100 0.208 0.000 0.783 362 P CB -0.458 31.490 31.700 0.413 0.000 1.490 363 F N -5.685 114.293 119.950 0.047 0.000 2.807 363 F HA 0.537 5.073 4.527 0.015 0.000 0.316 363 F C -1.046 174.745 175.800 -0.015 0.000 1.162 363 F CA -1.205 56.760 58.000 -0.058 0.000 0.910 363 F CB 0.414 39.376 39.000 -0.064 0.000 1.314 363 F HN -0.543 nan 8.300 nan 0.000 0.454 364 T N 1.656 116.296 114.554 0.142 0.000 2.799 364 T HA 0.377 4.737 4.350 0.015 0.000 0.286 364 T C 0.970 175.818 174.700 0.246 0.000 0.973 364 T CA -0.564 61.562 62.100 0.043 0.000 1.035 364 T CB 1.643 70.503 68.868 -0.014 0.000 0.932 364 T HN 0.657 nan 8.240 nan 0.000 0.469 365 R N 1.467 122.008 120.500 0.069 0.000 2.092 365 R HA -0.036 4.313 4.340 0.015 0.000 0.231 365 R C 1.092 177.383 176.300 -0.016 0.000 1.119 365 R CA 1.001 57.178 56.100 0.127 0.000 0.970 365 R CB -0.023 30.173 30.300 -0.173 0.000 0.864 365 R HN 0.827 nan 8.270 nan 0.000 0.440 366 E N -2.170 117.937 120.200 -0.155 0.000 3.130 366 E HA -0.329 4.030 4.350 0.015 0.000 0.381 366 E C 1.001 177.259 176.600 -0.570 0.000 1.488 366 E CA 1.904 58.002 56.400 -0.503 0.000 1.362 366 E CB -1.375 28.007 29.700 -0.531 0.000 1.656 366 E HN 0.387 nan 8.360 nan 0.000 0.504 367 W N 0.076 121.200 121.300 -0.294 0.000 2.658 367 W HA 0.097 4.764 4.660 0.012 0.000 0.263 367 W C 1.079 177.355 176.519 -0.406 0.000 1.274 367 W CA -0.149 56.851 57.345 -0.575 0.000 1.343 367 W CB -0.108 28.533 29.460 -1.365 0.000 1.106 367 W HN 0.309 nan 8.180 nan 0.000 0.615 368 Y N 1.995 122.143 120.300 -0.254 0.000 2.721 368 Y HA 0.219 4.779 4.550 0.015 0.000 0.329 368 Y C 1.071 176.986 175.900 0.024 0.000 1.211 368 Y CA 0.017 58.054 58.100 -0.105 0.000 1.512 368 Y CB 0.467 38.376 38.460 -0.918 0.000 1.249 368 Y HN 0.187 nan 8.280 nan 0.000 0.549 369 A N 3.320 125.798 122.820 -0.570 0.000 2.899 369 A HA -0.242 4.087 4.320 0.015 0.000 0.257 369 A C 1.242 178.841 177.584 0.025 0.000 1.335 369 A CA 1.338 53.106 52.037 -0.449 0.000 0.924 369 A CB -2.226 16.274 19.000 -0.833 0.000 1.105 369 A HN 1.451 nan 8.150 nan 0.000 0.765 370 G N -1.448 107.401 108.800 0.081 0.000 3.152 370 G HA2 0.536 4.505 3.960 0.015 0.000 0.157 370 G HA3 0.536 4.505 3.960 0.015 0.000 0.157 370 G C 0.316 175.249 174.900 0.055 0.000 1.786 370 G CA 0.681 45.842 45.100 0.102 0.000 1.055 370 G HN 1.342 nan 8.290 nan 0.000 0.528 371 S N -2.011 113.727 115.700 0.062 0.000 2.533 371 S HA 0.655 5.134 4.470 0.015 0.000 0.271 371 S C -1.061 173.606 174.600 0.112 0.000 1.143 371 S CA 0.152 58.371 58.200 0.032 0.000 0.891 371 S CB 1.653 64.814 63.200 -0.064 0.000 1.105 371 S HN 1.322 nan 8.310 nan 0.000 0.468 372 A N 1.622 124.508 122.820 0.109 0.000 2.455 372 A HA 1.001 5.330 4.320 0.015 0.000 0.300 372 A C 0.200 177.766 177.584 -0.029 0.000 1.040 372 A CA 0.062 52.178 52.037 0.132 0.000 0.697 372 A CB 1.241 20.148 19.000 -0.155 0.000 1.265 372 A HN 1.626 nan 8.150 nan 0.000 0.407 373 G N 0.029 108.514 108.800 -0.525 0.000 2.491 373 G HA2 0.562 4.532 3.960 0.015 0.000 0.183 373 G HA3 0.562 4.532 3.960 0.015 0.000 0.183 373 G C -1.190 172.723 174.900 -1.646 0.000 1.221 373 G CA 0.554 44.692 45.100 -1.603 0.000 0.996 373 G HN 2.284 nan 8.290 nan 0.000 0.474 374 Y N -0.670 118.332 120.300 -2.163 0.000 2.638 374 Y HA 0.831 5.390 4.550 0.015 0.000 0.335 374 Y C -1.003 174.305 175.900 -0.986 0.000 1.155 374 Y CA -1.279 55.878 58.100 -1.573 0.000 1.046 374 Y CB 1.237 38.361 38.460 -2.226 0.000 1.303 374 Y HN 1.185 nan 8.280 nan 0.000 0.460 375 L N 1.145 122.118 121.223 -0.417 0.000 2.393 375 L HA 1.053 5.402 4.340 0.015 0.000 0.260 375 L C -0.873 175.960 176.870 -0.063 0.000 1.002 375 L CA -0.818 53.922 54.840 -0.166 0.000 0.818 375 L CB 2.480 44.567 42.059 0.047 0.000 1.369 375 L HN 1.010 nan 8.230 nan 0.000 0.412 376 S N 0.923 116.621 115.700 -0.003 0.000 2.671 376 S HA 0.554 5.033 4.470 0.015 0.000 0.277 376 S C 0.316 174.928 174.600 0.020 0.000 1.165 376 S CA -0.853 57.353 58.200 0.011 0.000 0.822 376 S CB 1.455 64.671 63.200 0.026 0.000 1.150 376 S HN 0.580 nan 8.310 nan 0.000 0.479 377 L N 1.796 123.030 121.223 0.019 0.000 1.989 377 L HA -0.117 4.232 4.340 0.015 0.000 0.211 377 L C 3.072 179.952 176.870 0.018 0.000 1.071 377 L CA 2.580 57.427 54.840 0.013 0.000 0.749 377 L CB -1.670 40.394 42.059 0.009 0.000 0.890 377 L HN 1.001 nan 8.230 nan 0.000 0.431 378 Q N 0.210 120.024 119.800 0.024 0.000 2.167 378 Q HA -0.134 4.215 4.340 0.015 0.000 0.202 378 Q C 0.367 176.387 176.000 0.033 0.000 0.970 378 Q CA 0.902 56.719 55.803 0.023 0.000 0.855 378 Q CB 0.004 28.756 28.738 0.022 0.000 0.911 378 Q HN 0.698 nan 8.270 nan 0.000 0.438 379 Q N -0.304 119.526 119.800 0.050 0.000 2.578 379 Q HA 0.512 4.861 4.340 0.015 0.000 0.284 379 Q C -1.589 174.414 176.000 0.006 0.000 0.960 379 Q CA -0.605 55.229 55.803 0.052 0.000 0.809 379 Q CB 1.685 30.468 28.738 0.075 0.000 1.462 379 Q HN 0.180 nan 8.270 nan 0.000 0.392 380 S N -0.173 115.449 115.700 -0.130 0.000 2.570 380 S HA 0.745 5.224 4.470 0.015 0.000 0.270 380 S C -1.366 172.774 174.600 -0.766 0.000 1.149 380 S CA -0.684 57.186 58.200 -0.549 0.000 0.837 380 S CB 2.414 65.562 63.200 -0.087 0.000 1.124 380 S HN 0.808 nan 8.310 nan 0.000 0.465 381 E N 0.483 119.834 120.200 -1.415 0.000 2.304 381 E HA 0.631 4.990 4.350 0.015 0.000 0.277 381 E C -2.068 173.765 176.600 -1.279 0.000 0.898 381 E CA -0.620 55.168 56.400 -1.020 0.000 0.764 381 E CB 1.361 30.817 29.700 -0.407 0.000 1.216 381 E HN 0.584 nan 8.360 nan 0.000 0.419 382 F N 2.609 121.927 119.950 -1.052 0.000 2.551 382 F HA 0.459 4.995 4.527 0.014 0.000 0.316 382 F C 0.091 175.557 175.800 -0.557 0.000 1.089 382 F CA -0.675 56.864 58.000 -0.767 0.000 0.915 382 F CB 1.408 39.844 39.000 -0.940 0.000 1.186 382 F HN 0.610 nan 8.300 nan 0.000 0.456 383 C N 0.628 119.711 119.300 -0.361 0.000 2.349 383 C HA 0.852 5.321 4.460 0.015 0.000 0.361 383 C C 0.001 174.881 174.990 -0.184 0.000 1.189 383 C CA -1.079 57.642 59.018 -0.494 0.000 2.155 383 C CB 0.731 27.890 27.740 -0.969 0.000 2.336 383 C HN 0.573 nan 8.230 nan 0.000 0.540 384 V N 3.203 123.070 119.914 -0.078 0.000 2.521 384 V HA 0.127 4.257 4.120 0.015 0.000 0.286 384 V C 0.876 176.990 176.094 0.033 0.000 1.034 384 V CA 0.596 62.897 62.300 0.001 0.000 1.045 384 V CB 0.956 32.807 31.823 0.047 0.000 0.974 384 V HN 0.992 nan 8.190 nan 0.000 0.480 385 S N 6.478 122.194 115.700 0.027 0.000 4.175 385 S HA 0.214 4.693 4.470 0.015 0.000 0.193 385 S C -0.027 174.833 174.600 0.434 0.000 1.373 385 S CA -0.318 57.977 58.200 0.158 0.000 0.908 385 S CB -0.793 62.566 63.200 0.265 0.000 1.547 385 S HN 0.377 nan 8.310 nan 0.000 0.440 386 L N 1.194 122.671 121.223 0.425 0.000 2.416 386 L HA 0.506 4.855 4.340 0.015 0.000 0.263 386 L C 1.052 178.204 176.870 0.471 0.000 1.065 386 L CA -0.377 54.717 54.840 0.424 0.000 0.798 386 L CB -0.088 42.148 42.059 0.296 0.000 1.267 386 L HN 0.390 nan 8.230 nan 0.000 0.467 387 R N -0.724 120.025 120.500 0.414 0.000 3.264 387 R HA -0.155 4.194 4.340 0.015 0.000 0.251 387 R C -0.655 175.781 176.300 0.226 0.000 0.971 387 R CA 0.809 57.077 56.100 0.280 0.000 0.658 387 R CB -1.734 28.689 30.300 0.205 0.000 1.095 387 R HN 0.729 nan 8.270 nan 0.000 0.443 388 S N -1.392 114.510 115.700 0.336 0.000 2.671 388 S HA 0.943 5.422 4.470 0.015 0.000 0.299 388 S C -0.525 174.270 174.600 0.324 0.000 1.116 388 S CA -0.463 57.864 58.200 0.211 0.000 0.912 388 S CB 2.865 66.239 63.200 0.290 0.000 1.130 388 S HN 0.475 nan 8.310 nan 0.000 0.501 389 A N 0.644 123.555 122.820 0.151 0.000 2.486 389 A HA 0.796 5.125 4.320 0.015 0.000 0.300 389 A C -1.127 176.716 177.584 0.431 0.000 1.048 389 A CA -0.841 51.370 52.037 0.289 0.000 0.696 389 A CB 1.676 20.744 19.000 0.112 0.000 1.278 389 A HN 0.807 nan 8.150 nan 0.000 0.405 390 K N 1.511 122.245 120.400 0.557 0.000 2.213 390 K HA 0.682 5.011 4.320 0.015 0.000 0.270 390 K C -1.443 175.346 176.600 0.316 0.000 1.002 390 K CA -0.159 56.481 56.287 0.589 0.000 0.868 390 K CB 0.489 33.383 32.500 0.656 0.000 1.093 390 K HN 0.472 nan 8.250 nan 0.000 0.454 391 I N 2.568 123.318 120.570 0.299 0.000 2.441 391 I HA 0.360 4.539 4.170 0.015 0.000 0.295 391 I C -0.764 175.459 176.117 0.178 0.000 0.994 391 I CA -0.056 61.360 61.300 0.194 0.000 1.144 391 I CB 2.239 40.337 38.000 0.163 0.000 1.314 391 I HN 0.545 nan 8.210 nan 0.000 0.445 392 S N 3.886 119.655 115.700 0.114 0.000 2.721 392 S HA 0.636 5.115 4.470 0.015 0.000 0.264 392 S C 0.498 175.130 174.600 0.054 0.000 1.161 392 S CA -0.274 57.976 58.200 0.084 0.000 1.113 392 S CB 1.263 64.501 63.200 0.063 0.000 1.079 392 S HN 1.213 nan 8.310 nan 0.000 0.479 393 G N 4.541 113.372 108.800 0.052 0.000 2.646 393 G HA2 -0.394 3.575 3.960 0.015 0.000 0.324 393 G HA3 -0.394 3.575 3.960 0.015 0.000 0.324 393 G C 0.275 175.211 174.900 0.060 0.000 1.195 393 G CA 0.943 46.069 45.100 0.044 0.000 0.976 393 G HN 0.921 nan 8.290 nan 0.000 0.546 394 N N -0.330 118.413 118.700 0.073 0.000 2.273 394 N HA 0.457 5.206 4.740 0.015 0.000 0.231 394 N C -0.316 175.291 175.510 0.163 0.000 1.134 394 N CA 0.085 53.218 53.050 0.138 0.000 0.856 394 N CB 1.254 39.831 38.487 0.150 0.000 1.068 394 N HN 0.514 nan 8.380 nan 0.000 0.510 395 V N 1.170 121.113 119.914 0.049 0.000 2.417 395 V HA 0.364 4.493 4.120 0.015 0.000 0.291 395 V C -0.281 175.844 176.094 0.053 0.000 1.024 395 V CA -0.880 61.380 62.300 -0.066 0.000 0.861 395 V CB 1.780 33.439 31.823 -0.274 0.000 0.985 395 V HN -0.004 nan 8.190 nan 0.000 0.436 396 V N 5.669 125.648 119.914 0.109 0.000 2.417 396 V HA 0.515 4.644 4.120 0.015 0.000 0.291 396 V C 0.109 176.205 176.094 0.004 0.000 1.024 396 V CA -0.745 61.624 62.300 0.115 0.000 0.861 396 V CB 1.640 33.595 31.823 0.220 0.000 0.985 396 V HN 0.879 nan 8.190 nan 0.000 0.436 397 R N 5.130 125.607 120.500 -0.038 0.000 2.294 397 R HA 0.690 5.039 4.340 0.015 0.000 0.319 397 R C -1.295 174.795 176.300 -0.349 0.000 0.984 397 R CA -0.488 55.480 56.100 -0.221 0.000 0.861 397 R CB 0.822 30.959 30.300 -0.272 0.000 1.104 397 R HN 0.717 nan 8.270 nan 0.000 0.451 398 L N 4.668 125.654 121.223 -0.396 0.000 2.331 398 L HA 0.502 4.851 4.340 0.015 0.000 0.275 398 L C -1.006 175.532 176.870 -0.554 0.000 1.022 398 L CA -1.091 53.553 54.840 -0.327 0.000 0.812 398 L CB 1.443 43.415 42.059 -0.144 0.000 1.257 398 L HN 0.632 nan 8.230 nan 0.000 0.435 399 Y N 0.792 120.977 120.300 -0.191 0.000 2.391 399 Y HA 0.707 5.266 4.550 0.015 0.000 0.341 399 Y C -0.013 175.704 175.900 -0.305 0.000 0.965 399 Y CA -0.808 57.035 58.100 -0.429 0.000 1.067 399 Y CB 2.192 40.029 38.460 -1.039 0.000 1.199 399 Y HN 0.573 nan 8.280 nan 0.000 0.450 400 A N 1.904 124.685 122.820 -0.065 0.000 2.408 400 A HA 0.807 5.136 4.320 0.015 0.000 0.295 400 A C -0.410 177.245 177.584 0.118 0.000 1.040 400 A CA -0.330 51.721 52.037 0.024 0.000 0.707 400 A CB 0.844 19.803 19.000 -0.068 0.000 1.235 400 A HN 0.895 nan 8.150 nan 0.000 0.418 401 G N 0.086 109.034 108.800 0.247 0.000 2.537 401 G HA2 0.873 4.842 3.960 0.015 0.000 0.323 401 G HA3 0.873 4.842 3.960 0.015 0.000 0.323 401 G C -0.439 174.628 174.900 0.278 0.000 1.207 401 G CA -0.196 45.098 45.100 0.324 0.000 0.976 401 G HN 1.922 nan 8.290 nan 0.000 0.487 402 A N -0.747 122.274 122.820 0.335 0.000 2.488 402 A HA 0.762 5.091 4.320 0.015 0.000 0.298 402 A C 0.062 177.783 177.584 0.228 0.000 1.044 402 A CA -0.019 52.193 52.037 0.290 0.000 0.693 402 A CB 1.422 20.654 19.000 0.388 0.000 1.272 402 A HN 1.633 nan 8.150 nan 0.000 0.402 403 G N 1.693 110.594 108.800 0.167 0.000 2.361 403 G HA2 0.495 4.464 3.960 0.015 0.000 0.260 403 G HA3 0.495 4.464 3.960 0.015 0.000 0.260 403 G C -0.219 174.732 174.900 0.084 0.000 1.261 403 G CA -0.077 45.091 45.100 0.113 0.000 0.897 403 G HN 0.522 nan 8.290 nan 0.000 0.499 404 I N 2.840 123.428 120.570 0.030 0.000 2.404 404 I HA 0.465 4.644 4.170 0.015 0.000 0.293 404 I C 0.596 176.690 176.117 -0.039 0.000 0.992 404 I CA -0.687 60.601 61.300 -0.020 0.000 1.149 404 I CB 0.980 38.920 38.000 -0.101 0.000 1.315 404 I HN 0.397 nan 8.210 nan 0.000 0.446 405 V N 3.094 122.991 119.914 -0.028 0.000 3.087 405 V HA 0.692 4.821 4.120 0.015 0.000 0.311 405 V C 1.467 177.542 176.094 -0.032 0.000 1.333 405 V CA -0.121 62.163 62.300 -0.026 0.000 1.054 405 V CB 0.803 32.626 31.823 0.001 0.000 1.123 405 V HN 0.698 nan 8.190 nan 0.000 0.473 406 R N 0.234 120.722 120.500 -0.021 0.000 2.133 406 R HA -0.096 4.253 4.340 0.015 0.000 0.245 406 R C 1.958 178.251 176.300 -0.012 0.000 1.137 406 R CA 2.956 59.045 56.100 -0.018 0.000 0.947 406 R CB -2.061 28.234 30.300 -0.008 0.000 0.865 406 R HN 1.846 nan 8.270 nan 0.000 0.437 407 G N -0.415 108.385 108.800 0.001 0.000 3.126 407 G HA2 0.294 4.264 3.960 0.015 0.000 0.224 407 G HA3 0.294 4.264 3.960 0.015 0.000 0.224 407 G C 0.259 175.168 174.900 0.016 0.000 1.142 407 G CA 0.493 45.599 45.100 0.009 0.000 0.759 407 G HN 0.573 nan 8.290 nan 0.000 0.550 408 S N 0.467 116.174 115.700 0.012 0.000 2.561 408 S HA 0.140 4.619 4.470 0.015 0.000 0.294 408 S C -0.287 174.332 174.600 0.032 0.000 1.294 408 S CA 0.313 58.530 58.200 0.029 0.000 1.055 408 S CB 1.221 64.430 63.200 0.016 0.000 0.819 408 S HN 0.527 nan 8.310 nan 0.000 0.503 409 D N 1.772 122.212 120.400 0.067 0.000 2.391 409 D HA 0.448 5.097 4.640 0.015 0.000 0.245 409 D C -1.928 174.452 176.300 0.133 0.000 1.069 409 D CA -2.187 51.859 54.000 0.077 0.000 0.831 409 D CB 1.470 42.316 40.800 0.077 0.000 1.204 409 D HN 0.045 nan 8.370 nan 0.000 0.503 410 P HA -0.202 nan 4.420 nan 0.000 0.214 410 P C 1.114 178.629 177.300 0.358 0.000 1.169 410 P CA 0.906 64.137 63.100 0.218 0.000 0.908 410 P CB 0.230 32.002 31.700 0.121 0.000 0.791 411 E N -0.321 120.012 120.200 0.221 0.000 2.038 411 E HA -0.251 4.108 4.350 0.015 0.000 0.195 411 E C 2.151 178.896 176.600 0.242 0.000 1.000 411 E CA 1.358 57.881 56.400 0.205 0.000 0.803 411 E CB -0.627 29.142 29.700 0.113 0.000 0.750 411 E HN 0.296 nan 8.360 nan 0.000 0.448 412 Q N 0.146 120.062 119.800 0.194 0.000 2.045 412 Q HA -0.197 4.152 4.340 0.015 0.000 0.206 412 Q C 1.908 178.035 176.000 0.212 0.000 0.991 412 Q CA 1.785 57.689 55.803 0.169 0.000 0.851 412 Q CB 0.082 28.901 28.738 0.134 0.000 0.911 412 Q HN 0.158 nan 8.270 nan 0.000 0.418 413 E N -0.739 119.645 120.200 0.308 0.000 2.208 413 E HA -0.174 4.185 4.350 0.015 0.000 0.193 413 E C 1.462 178.268 176.600 0.343 0.000 0.988 413 E CA 0.551 57.183 56.400 0.386 0.000 0.828 413 E CB -0.298 29.715 29.700 0.522 0.000 0.763 413 E HN 0.506 nan 8.360 nan 0.000 0.478 414 W N 2.222 123.603 121.300 0.136 0.000 2.355 414 W HA -0.289 4.379 4.660 0.014 0.000 0.309 414 W C 2.959 179.368 176.519 -0.184 0.000 1.206 414 W CA 3.069 60.243 57.345 -0.285 0.000 1.284 414 W CB -0.559 28.757 29.460 -0.240 0.000 1.145 414 W HN 0.154 nan 8.180 nan 0.000 0.502 415 Q N 0.007 119.884 119.800 0.127 0.000 2.077 415 Q HA -0.230 4.119 4.340 0.015 0.000 0.206 415 Q C 1.864 177.828 176.000 -0.059 0.000 0.989 415 Q CA 3.215 59.035 55.803 0.028 0.000 0.853 415 Q CB -1.790 27.001 28.738 0.087 0.000 0.907 415 Q HN 0.576 nan 8.270 nan 0.000 0.418 416 E N -0.242 119.954 120.200 -0.008 0.000 2.333 416 E HA 0.060 4.419 4.350 0.015 0.000 0.198 416 E C 1.823 178.377 176.600 -0.077 0.000 1.007 416 E CA 1.285 57.682 56.400 -0.006 0.000 0.845 416 E CB -0.406 29.335 29.700 0.068 0.000 0.766 416 E HN 0.797 nan 8.360 nan 0.000 0.507 417 I N -0.102 120.337 120.570 -0.218 0.000 3.081 417 I HA -0.013 4.167 4.170 0.015 0.000 0.274 417 I C 1.565 177.442 176.117 -0.401 0.000 1.178 417 I CA 0.499 61.605 61.300 -0.323 0.000 1.460 417 I CB 0.492 38.182 38.000 -0.515 0.000 1.137 417 I HN 0.090 nan 8.210 nan 0.000 0.443 418 D N 0.922 121.011 120.400 -0.518 0.000 2.144 418 D HA -0.165 4.484 4.640 0.015 0.000 0.199 418 D C 1.795 177.969 176.300 -0.210 0.000 0.984 418 D CA 1.033 54.782 54.000 -0.419 0.000 0.834 418 D CB -0.210 40.326 40.800 -0.440 0.000 0.955 418 D HN 0.246 nan 8.370 nan 0.000 0.465 419 N N 0.680 119.289 118.700 -0.151 0.000 2.058 419 N HA -0.113 4.637 4.740 0.015 0.000 0.191 419 N C 1.646 177.124 175.510 -0.053 0.000 1.037 419 N CA 0.846 53.850 53.050 -0.076 0.000 0.848 419 N CB -0.149 38.312 38.487 -0.042 0.000 1.021 419 N HN 0.264 nan 8.380 nan 0.000 0.422 420 K N 0.730 121.101 120.400 -0.049 0.000 2.026 420 K HA 0.011 4.340 4.320 0.015 0.000 0.208 420 K C 2.032 178.618 176.600 -0.023 0.000 1.048 420 K CA 1.266 57.550 56.287 -0.006 0.000 0.929 420 K CB -0.188 32.329 32.500 0.027 0.000 0.713 420 K HN 0.142 nan 8.250 nan 0.000 0.439 421 A N 1.489 124.262 122.820 -0.079 0.000 1.972 421 A HA -0.083 4.246 4.320 0.015 0.000 0.219 421 A C 2.338 179.890 177.584 -0.054 0.000 1.169 421 A CA 1.668 53.658 52.037 -0.079 0.000 0.635 421 A CB -0.548 18.368 19.000 -0.139 0.000 0.810 421 A HN 0.340 nan 8.150 nan 0.000 0.446 422 A N -0.291 122.494 122.820 -0.059 0.000 1.933 422 A HA 0.110 4.440 4.320 0.015 0.000 0.218 422 A C 2.392 179.965 177.584 -0.018 0.000 1.175 422 A CA 1.843 53.857 52.037 -0.038 0.000 0.628 422 A CB -1.373 17.602 19.000 -0.041 0.000 0.814 422 A HN 0.730 nan 8.150 nan 0.000 0.444 423 G N 0.049 108.843 108.800 -0.010 0.000 2.476 423 G HA2 -0.234 3.735 3.960 0.015 0.000 0.218 423 G HA3 -0.234 3.735 3.960 0.015 0.000 0.218 423 G C 1.516 176.419 174.900 0.005 0.000 1.164 423 G CA 1.252 46.355 45.100 0.005 0.000 0.768 423 G HN 0.470 nan 8.290 nan 0.000 0.560 424 L N -0.653 120.574 121.223 0.007 0.000 2.179 424 L HA 0.115 4.464 4.340 0.015 0.000 0.208 424 L C 3.067 179.939 176.870 0.002 0.000 1.096 424 L CA 0.417 55.261 54.840 0.007 0.000 0.779 424 L CB -0.274 41.795 42.059 0.017 0.000 0.922 424 L HN 0.095 nan 8.230 nan 0.000 0.443 425 R N -0.008 120.493 120.500 0.001 0.000 2.105 425 R HA -0.146 4.203 4.340 0.015 0.000 0.239 425 R C 2.397 178.703 176.300 0.010 0.000 1.135 425 R CA 1.965 58.073 56.100 0.013 0.000 0.967 425 R CB -0.636 29.666 30.300 0.004 0.000 0.861 425 R HN 0.510 nan 8.270 nan 0.000 0.442 426 T N -0.323 114.228 114.554 -0.004 0.000 2.867 426 T HA -0.050 4.309 4.350 0.015 0.000 0.268 426 T C 1.873 176.557 174.700 -0.026 0.000 1.057 426 T CA 0.773 62.865 62.100 -0.013 0.000 1.136 426 T CB -0.332 68.526 68.868 -0.016 0.000 0.874 426 T HN 0.153 nan 8.240 nan 0.000 0.466 427 L N 0.160 121.365 121.223 -0.031 0.000 2.447 427 L HA 0.081 4.430 4.340 0.015 0.000 0.225 427 L C 1.652 178.479 176.870 -0.071 0.000 1.148 427 L CA 0.895 55.703 54.840 -0.054 0.000 0.808 427 L CB -0.715 41.312 42.059 -0.055 0.000 0.928 427 L HN 0.313 nan 8.230 nan 0.000 0.448 428 L N -1.050 120.141 121.223 -0.053 0.000 2.872 428 L HA 0.254 4.603 4.340 0.015 0.000 0.245 428 L C 0.027 176.860 176.870 -0.061 0.000 1.211 428 L CA -0.092 54.698 54.840 -0.083 0.000 1.013 428 L CB 0.150 42.182 42.059 -0.045 0.000 1.326 428 L HN 0.231 nan 8.230 nan 0.000 0.525 429 Q N 0.000 119.770 119.800 -0.050 0.000 2.315 429 Q HA 0.000 4.349 4.340 0.015 0.000 0.214 429 Q CA 0.000 55.779 55.803 -0.041 0.000 1.022 429 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 429 Q HN 0.000 nan 8.270 nan 0.000 0.481