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 2aj4_1_A DATA FIRST_RESID 9 DATA SEQUENCE VIVPEFNSSA XELPRPLAEK CPSIIKKFIS AYDAKPDFVA RSPGRVNLIG DATA SEQUENCE EHIDYCDFSV LPLAIDFDML CAVKVLNEKN PSITLINADP KFAQRKFDLP DATA SEQUENCE LDGSYVTIDP SVSDWSNYFK CGLHVAHSFL KKLAPERFAS APLAGLQVFC DATA SEQUENCE EGDVPTGSGL SSSAAFICAV ALAVVKANMG PGYHMSKQNL MRITVVAEHY DATA SEQUENCE VGVNNGGMDQ AASVCGEEDH ALYVEFKPQL KATPFKFPQL KNHEISFVIA DATA SEQUENCE NTLVVSNKFE TAPTNYNLRV VEVTTAANVL AATYGVVLLX XXXXXXXNKG DATA SEQUENCE NLRDFMNVYY ARYHNISTPW NGDIESGIER LTKMLVLVEE SLANKKQGFS DATA SEQUENCE VDDVAQSLNC SREEFTRDYL TTSPVRFQVL KLYQRAKHVY SESLRVLKAV DATA SEQUENCE KLMTTXXFTA DEDFFKQFGA LMNESQASCD KLYECSCPEI DKICSIALSN DATA SEQUENCE GSYGSRLTGA GWGGCTVHLV PGGPNGNIEK VKEALANEFY KVKYPKITDA DATA SEQUENCE ELENAIIVSK PALGSCLYEL 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.055 176.094 -0.065 0.000 1.182 9 V CA 0.000 62.262 62.300 -0.063 0.000 1.235 9 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 10 I N -0.098 120.422 120.570 -0.082 0.000 2.947 10 I HA 0.896 5.085 4.170 0.031 0.000 0.314 10 I C 0.020 176.094 176.117 -0.072 0.000 1.028 10 I CA -1.248 60.003 61.300 -0.082 0.000 1.077 10 I CB 1.799 39.733 38.000 -0.110 0.000 1.274 10 I HN 0.386 nan 8.210 nan 0.000 0.485 11 V N 3.337 123.216 119.914 -0.058 0.000 2.572 11 V HA 0.218 4.356 4.120 0.031 0.000 0.291 11 V C -1.996 174.062 176.094 -0.060 0.000 1.039 11 V CA -1.096 61.183 62.300 -0.035 0.000 1.055 11 V CB 0.121 31.933 31.823 -0.018 0.000 0.969 11 V HN 0.660 nan 8.190 nan 0.000 0.482 12 P HA 0.220 nan 4.420 nan 0.000 0.276 12 P C -0.564 176.580 177.300 -0.261 0.000 1.243 12 P CA -0.110 62.864 63.100 -0.211 0.000 0.768 12 P CB 0.407 32.020 31.700 -0.144 0.000 0.856 13 E N 2.968 122.938 120.200 -0.384 0.000 2.175 13 E HA 0.484 4.853 4.350 0.031 0.000 0.278 13 E C -0.690 175.623 176.600 -0.478 0.000 0.969 13 E CA -0.416 55.842 56.400 -0.236 0.000 0.796 13 E CB 0.906 30.552 29.700 -0.090 0.000 1.104 13 E HN 0.319 nan 8.360 nan 0.000 0.395 14 F N 1.587 121.609 119.950 0.119 0.000 2.561 14 F HA 0.340 4.887 4.527 0.033 0.000 0.321 14 F C 0.464 176.377 175.800 0.189 0.000 1.065 14 F CA -0.796 57.305 58.000 0.169 0.000 0.934 14 F CB 1.724 40.861 39.000 0.227 0.000 1.215 14 F HN 0.538 nan 8.300 nan 0.000 0.471 15 N N -1.881 117.029 118.700 0.350 0.000 2.701 15 N HA 0.386 5.145 4.740 0.031 0.000 0.290 15 N C 0.274 175.963 175.510 0.299 0.000 1.338 15 N CA -0.321 52.829 53.050 0.167 0.000 0.799 15 N CB 1.488 40.000 38.487 0.042 0.000 1.491 15 N HN 0.438 nan 8.380 nan 0.000 0.540 16 S N -0.196 115.602 115.700 0.164 0.000 2.359 16 S HA -0.271 4.218 4.470 0.031 0.000 0.224 16 S C 1.991 176.680 174.600 0.149 0.000 1.035 16 S CA 1.579 59.898 58.200 0.199 0.000 1.018 16 S CB -1.214 62.048 63.200 0.104 0.000 0.876 16 S HN 0.728 nan 8.310 nan 0.000 0.448 17 S N 3.667 119.430 115.700 0.106 0.000 2.359 17 S HA 0.088 4.577 4.470 0.031 0.000 0.224 17 S C 1.367 176.029 174.600 0.104 0.000 1.035 17 S CA 0.630 58.880 58.200 0.083 0.000 1.018 17 S CB -1.439 61.795 63.200 0.056 0.000 0.876 17 S HN 1.022 nan 8.310 nan 0.000 0.448 21 L N 2.940 124.125 121.223 -0.063 0.000 2.334 21 L HA 0.518 4.877 4.340 0.031 0.000 0.275 21 L C -2.114 174.602 176.870 -0.257 0.000 1.036 21 L CA -2.067 52.657 54.840 -0.193 0.000 0.807 21 L CB 1.195 43.138 42.059 -0.194 0.000 1.231 21 L HN 0.288 nan 8.230 nan 0.000 0.438 22 P HA 0.019 nan 4.420 nan 0.000 0.264 22 P C 0.335 177.491 177.300 -0.240 0.000 1.183 22 P CA 0.160 63.058 63.100 -0.337 0.000 0.763 22 P CB 0.556 31.974 31.700 -0.470 0.000 0.807 23 R N 4.986 125.391 120.500 -0.159 0.000 2.143 23 R HA -0.213 4.146 4.340 0.031 0.000 0.239 23 R C -0.691 175.520 176.300 -0.148 0.000 1.126 23 R CA 2.685 58.707 56.100 -0.130 0.000 0.927 23 R CB -1.709 28.535 30.300 -0.093 0.000 0.860 23 R HN 0.465 nan 8.270 nan 0.000 0.433 24 P HA -0.217 nan 4.420 nan 0.000 0.216 24 P C 1.202 178.403 177.300 -0.165 0.000 1.157 24 P CA 1.565 64.578 63.100 -0.146 0.000 0.880 24 P CB -0.158 31.466 31.700 -0.126 0.000 0.791 25 L N -1.171 119.919 121.223 -0.222 0.000 2.017 25 L HA -0.164 4.195 4.340 0.031 0.000 0.208 25 L C 2.597 179.286 176.870 -0.301 0.000 1.073 25 L CA 1.752 56.416 54.840 -0.293 0.000 0.745 25 L CB -1.356 40.448 42.059 -0.424 0.000 0.894 25 L HN -0.043 nan 8.230 nan 0.000 0.432 26 A N -0.031 122.632 122.820 -0.261 0.000 1.917 26 A HA -0.257 4.082 4.320 0.031 0.000 0.219 26 A C 2.144 179.642 177.584 -0.142 0.000 1.182 26 A CA 2.013 53.932 52.037 -0.195 0.000 0.633 26 A CB -0.469 18.441 19.000 -0.151 0.000 0.819 26 A HN 0.489 nan 8.150 nan 0.000 0.448 27 E N -0.888 119.233 120.200 -0.132 0.000 2.112 27 E HA -0.105 4.263 4.350 0.031 0.000 0.190 27 E C 1.934 178.483 176.600 -0.084 0.000 0.979 27 E CA 1.283 57.624 56.400 -0.099 0.000 0.814 27 E CB -0.002 29.638 29.700 -0.100 0.000 0.762 27 E HN 0.660 nan 8.360 nan 0.000 0.460 28 K N -0.458 119.886 120.400 -0.094 0.000 2.313 28 K HA 0.122 4.461 4.320 0.031 0.000 0.197 28 K C 2.159 178.737 176.600 -0.037 0.000 1.061 28 K CA 0.169 56.423 56.287 -0.056 0.000 0.980 28 K CB 0.060 32.532 32.500 -0.047 0.000 0.888 28 K HN 0.025 nan 8.250 nan 0.000 0.502 29 C N 2.181 121.431 119.300 -0.083 0.000 2.367 29 C HA -0.117 4.362 4.460 0.031 0.000 0.276 29 C C -0.537 174.463 174.990 0.017 0.000 1.195 29 C CA 1.037 60.031 59.018 -0.041 0.000 1.756 29 C CB -1.200 26.423 27.740 -0.195 0.000 2.046 29 C HN 0.329 nan 8.230 nan 0.000 0.453 30 P HA -0.179 nan 4.420 nan 0.000 0.217 30 P C 1.761 179.073 177.300 0.019 0.000 1.162 30 P CA 2.552 65.663 63.100 0.018 0.000 0.901 30 P CB -0.319 31.380 31.700 -0.002 0.000 0.793 31 S N -1.361 114.345 115.700 0.010 0.000 2.355 31 S HA -0.122 4.366 4.470 0.031 0.000 0.222 31 S C 1.924 176.536 174.600 0.019 0.000 1.031 31 S CA 0.809 59.016 58.200 0.011 0.000 0.993 31 S CB -0.996 62.211 63.200 0.012 0.000 0.859 31 S HN -0.003 nan 8.310 nan 0.000 0.453 32 I N 0.792 121.394 120.570 0.054 0.000 2.361 32 I HA -0.137 4.052 4.170 0.031 0.000 0.251 32 I C 1.929 178.081 176.117 0.059 0.000 1.133 32 I CA 1.181 62.537 61.300 0.093 0.000 1.413 32 I CB -0.157 37.956 38.000 0.188 0.000 1.073 32 I HN 0.390 nan 8.210 nan 0.000 0.424 33 I N 0.952 121.561 120.570 0.064 0.000 2.226 33 I HA -0.340 3.848 4.170 0.031 0.000 0.245 33 I C 2.429 178.571 176.117 0.042 0.000 1.100 33 I CA 1.452 62.789 61.300 0.062 0.000 1.374 33 I CB -0.269 37.771 38.000 0.067 0.000 1.057 33 I HN 0.183 nan 8.210 nan 0.000 0.413 34 K N 0.857 121.259 120.400 0.004 0.000 2.057 34 K HA -0.175 4.164 4.320 0.031 0.000 0.207 34 K C 2.021 178.563 176.600 -0.097 0.000 1.049 34 K CA 1.217 57.490 56.287 -0.024 0.000 0.931 34 K CB -0.222 32.263 32.500 -0.025 0.000 0.714 34 K HN 0.341 nan 8.250 nan 0.000 0.440 35 K N 0.450 120.730 120.400 -0.200 0.000 2.097 35 K HA -0.152 4.187 4.320 0.031 0.000 0.206 35 K C 2.048 178.258 176.600 -0.650 0.000 1.049 35 K CA 1.326 57.316 56.287 -0.496 0.000 0.933 35 K CB -0.276 31.777 32.500 -0.746 0.000 0.717 35 K HN 0.097 nan 8.250 nan 0.000 0.442 36 F N 1.874 121.507 119.950 -0.527 0.000 2.102 36 F HA -0.161 4.384 4.527 0.030 0.000 0.298 36 F C 2.030 177.778 175.800 -0.086 0.000 1.105 36 F CA 1.179 59.034 58.000 -0.242 0.000 1.239 36 F CB -0.046 38.953 39.000 -0.002 0.000 0.991 36 F HN -0.141 nan 8.300 nan 0.000 0.474 37 I N -0.370 120.317 120.570 0.194 0.000 2.163 37 I HA -0.357 3.831 4.170 0.031 0.000 0.243 37 I C 2.417 178.525 176.117 -0.015 0.000 1.085 37 I CA 1.624 63.005 61.300 0.135 0.000 1.347 37 I CB -0.689 37.364 38.000 0.089 0.000 1.044 37 I HN 0.057 nan 8.210 nan 0.000 0.408 38 S N 0.653 116.293 115.700 -0.100 0.000 2.383 38 S HA -0.191 4.297 4.470 0.031 0.000 0.229 38 S C 2.161 176.639 174.600 -0.204 0.000 1.030 38 S CA 1.378 59.497 58.200 -0.135 0.000 1.002 38 S CB -0.399 62.709 63.200 -0.153 0.000 0.829 38 S HN 0.569 nan 8.310 nan 0.000 0.467 39 A N 0.079 122.689 122.820 -0.350 0.000 1.874 39 A HA 0.103 4.441 4.320 0.031 0.000 0.214 39 A C 1.591 178.794 177.584 -0.635 0.000 1.189 39 A CA 0.868 52.572 52.037 -0.555 0.000 0.615 39 A CB -0.489 18.052 19.000 -0.764 0.000 0.830 39 A HN 0.605 nan 8.150 nan 0.000 0.443 40 Y N -1.884 118.239 120.300 -0.295 0.000 2.481 40 Y HA 0.215 4.783 4.550 0.031 0.000 0.247 40 Y C 0.332 176.185 175.900 -0.079 0.000 1.151 40 Y CA -0.038 57.922 58.100 -0.234 0.000 1.238 40 Y CB 0.720 38.900 38.460 -0.467 0.000 1.179 40 Y HN 0.362 nan 8.280 nan 0.000 0.524 41 D N 0.940 121.383 120.400 0.071 0.000 2.746 41 D HA -0.134 4.525 4.640 0.031 0.000 0.236 41 D C -0.484 175.886 176.300 0.117 0.000 1.129 41 D CA 0.961 55.006 54.000 0.074 0.000 0.691 41 D CB -0.952 39.874 40.800 0.044 0.000 1.077 41 D HN 0.438 nan 8.370 nan 0.000 0.432 42 A N -0.192 122.741 122.820 0.188 0.000 2.567 42 A HA 0.549 4.887 4.320 0.031 0.000 0.291 42 A C -0.840 176.905 177.584 0.268 0.000 1.048 42 A CA -0.486 51.665 52.037 0.190 0.000 0.661 42 A CB 0.986 20.112 19.000 0.210 0.000 1.288 42 A HN 0.261 nan 8.150 nan 0.000 0.424 43 K N 1.124 121.600 120.400 0.128 0.000 2.143 43 K HA 0.681 5.019 4.320 0.031 0.000 0.272 43 K C -2.595 173.893 176.600 -0.187 0.000 1.001 43 K CA -1.442 54.857 56.287 0.020 0.000 0.915 43 K CB 1.213 33.704 32.500 -0.015 0.000 1.047 43 K HN 0.369 nan 8.250 nan 0.000 0.458 44 P HA 0.036 nan 4.420 nan 0.000 0.273 44 P C -0.535 176.490 177.300 -0.459 0.000 1.250 44 P CA -0.181 62.331 63.100 -0.980 0.000 0.793 44 P CB 0.631 31.615 31.700 -1.194 0.000 1.011 45 D N -0.682 119.449 120.400 -0.447 0.000 2.269 45 D HA 0.117 4.776 4.640 0.031 0.000 0.220 45 D C 0.628 176.873 176.300 -0.091 0.000 0.962 45 D CA 1.352 55.223 54.000 -0.215 0.000 0.884 45 D CB 0.006 40.724 40.800 -0.136 0.000 1.023 45 D HN 0.461 nan 8.370 nan 0.000 0.484 46 F N -1.617 118.257 119.950 -0.126 0.000 2.715 46 F HA 0.646 5.191 4.527 0.030 0.000 0.318 46 F C -1.218 174.585 175.800 0.006 0.000 1.141 46 F CA -1.388 56.571 58.000 -0.068 0.000 0.950 46 F CB 1.251 40.234 39.000 -0.029 0.000 1.374 46 F HN -0.399 nan 8.300 nan 0.000 0.477 47 V N 1.542 121.682 119.914 0.377 0.000 2.525 47 V HA 0.791 4.930 4.120 0.031 0.000 0.299 47 V C -0.371 175.965 176.094 0.403 0.000 1.034 47 V CA -0.710 61.787 62.300 0.328 0.000 0.863 47 V CB 1.085 33.106 31.823 0.330 0.000 0.999 47 V HN 1.177 nan 8.190 nan 0.000 0.423 48 A N 5.415 128.456 122.820 0.367 0.000 2.305 48 A HA 0.906 5.244 4.320 0.031 0.000 0.322 48 A C -0.183 177.541 177.584 0.233 0.000 1.187 48 A CA -0.623 51.598 52.037 0.306 0.000 0.825 48 A CB 1.029 20.212 19.000 0.305 0.000 1.164 48 A HN 0.845 nan 8.150 nan 0.000 0.498 49 R N 1.241 121.856 120.500 0.190 0.000 2.744 49 R HA 0.708 5.066 4.340 0.031 0.000 0.279 49 R C -1.553 174.824 176.300 0.129 0.000 0.977 49 R CA -0.220 55.969 56.100 0.148 0.000 0.906 49 R CB 1.880 32.246 30.300 0.109 0.000 1.197 49 R HN 0.663 nan 8.270 nan 0.000 0.463 50 S N 4.062 119.834 115.700 0.121 0.000 2.649 50 S HA 0.489 4.978 4.470 0.031 0.000 0.274 50 S C -2.780 171.882 174.600 0.104 0.000 1.176 50 S CA -1.251 57.013 58.200 0.107 0.000 0.988 50 S CB 1.894 65.160 63.200 0.109 0.000 1.071 50 S HN 0.516 nan 8.310 nan 0.000 0.478 51 P HA 0.397 nan 4.420 nan 0.000 0.277 51 P C 0.314 177.683 177.300 0.114 0.000 1.271 51 P CA -0.246 62.913 63.100 0.098 0.000 0.795 51 P CB 0.325 32.075 31.700 0.083 0.000 1.101 52 G N -0.003 108.880 108.800 0.139 0.000 2.525 52 G HA2 0.632 4.610 3.960 0.031 0.000 0.287 52 G HA3 0.632 4.610 3.960 0.031 0.000 0.287 52 G C -0.552 174.416 174.900 0.114 0.000 1.350 52 G CA -0.588 44.592 45.100 0.133 0.000 1.039 52 G HN 0.743 nan 8.290 nan 0.000 0.513 53 R N -3.005 117.553 120.500 0.097 0.000 2.716 53 R HA 0.657 5.016 4.340 0.031 0.000 0.271 53 R C -1.913 174.428 176.300 0.068 0.000 1.028 53 R CA -0.789 55.361 56.100 0.082 0.000 0.883 53 R CB 1.367 31.711 30.300 0.074 0.000 1.250 53 R HN 0.483 nan 8.270 nan 0.000 0.465 54 V N 1.269 121.217 119.914 0.057 0.000 2.656 54 V HA 0.509 4.647 4.120 0.031 0.000 0.307 54 V C -1.091 175.016 176.094 0.021 0.000 1.051 54 V CA -0.882 61.440 62.300 0.036 0.000 0.893 54 V CB 2.008 33.852 31.823 0.036 0.000 0.999 54 V HN 0.810 nan 8.190 nan 0.000 0.426 55 N N 2.959 121.668 118.700 0.015 0.000 2.469 55 N HA 0.443 5.202 4.740 0.031 0.000 0.253 55 N C 0.685 176.190 175.510 -0.008 0.000 0.970 55 N CA -0.410 52.652 53.050 0.020 0.000 0.940 55 N CB 1.238 39.745 38.487 0.032 0.000 1.128 55 N HN 0.643 nan 8.380 nan 0.000 0.503 56 L N 2.645 123.857 121.223 -0.017 0.000 2.046 56 L HA 0.129 4.487 4.340 0.031 0.000 0.208 56 L C 0.929 177.817 176.870 0.029 0.000 1.077 56 L CA 1.024 55.833 54.840 -0.051 0.000 0.747 56 L CB -0.127 41.907 42.059 -0.043 0.000 0.896 56 L HN 0.567 nan 8.230 nan 0.000 0.432 57 I N -2.420 118.182 120.570 0.053 0.000 2.961 57 I HA 0.415 4.604 4.170 0.031 0.000 0.303 57 I C -0.956 175.185 176.117 0.040 0.000 1.505 57 I CA -0.177 61.135 61.300 0.019 0.000 0.964 57 I CB 2.291 40.273 38.000 -0.031 0.000 1.348 57 I HN 0.077 nan 8.210 nan 0.000 0.508 58 G N 3.650 112.454 108.800 0.007 0.000 2.600 58 G HA2 -0.138 3.841 3.960 0.031 0.000 0.251 58 G HA3 -0.138 3.841 3.960 0.031 0.000 0.251 58 G C -0.827 174.074 174.900 0.001 0.000 1.142 58 G CA -0.247 44.864 45.100 0.017 0.000 0.994 58 G HN 0.667 nan 8.290 nan 0.000 0.511 59 E N 0.484 120.676 120.200 -0.012 0.000 2.249 59 E HA 0.606 4.974 4.350 0.031 0.000 0.280 59 E C 1.219 177.806 176.600 -0.022 0.000 1.016 59 E CA -0.347 56.035 56.400 -0.030 0.000 0.830 59 E CB 0.282 29.986 29.700 0.008 0.000 1.081 59 E HN 0.411 nan 8.360 nan 0.000 0.395 60 H N 2.435 121.409 119.070 -0.160 0.000 2.791 60 H HA -0.194 4.380 4.556 0.031 0.000 0.302 60 H C 0.693 175.638 175.328 -0.638 0.000 1.198 60 H CA 1.279 57.084 56.048 -0.403 0.000 1.145 60 H CB -1.440 27.998 29.762 -0.540 0.000 1.385 60 H HN 0.587 nan 8.280 nan 0.000 0.409 61 I N -2.755 117.583 120.570 -0.385 0.000 4.403 61 I HA 0.035 4.224 4.170 0.031 0.000 0.331 61 I C 1.925 177.903 176.117 -0.231 0.000 1.327 61 I CA 0.387 61.551 61.300 -0.228 0.000 1.175 61 I CB 0.330 38.332 38.000 0.002 0.000 1.165 61 I HN -0.077 nan 8.210 nan 0.000 0.413 62 D N 3.183 123.385 120.400 -0.331 0.000 2.092 62 D HA -0.322 4.336 4.640 0.031 0.000 0.193 62 D C 1.958 177.969 176.300 -0.482 0.000 0.994 62 D CA 2.169 55.916 54.000 -0.423 0.000 0.828 62 D CB -1.312 39.290 40.800 -0.330 0.000 0.963 62 D HN 0.705 nan 8.370 nan 0.000 0.450 63 Y N -0.515 119.693 120.300 -0.154 0.000 2.680 63 Y HA 0.208 4.776 4.550 0.030 0.000 0.303 63 Y C 1.620 177.459 175.900 -0.101 0.000 1.166 63 Y CA -0.486 57.548 58.100 -0.110 0.000 1.344 63 Y CB -1.131 37.332 38.460 0.005 0.000 1.002 63 Y HN 0.021 nan 8.280 nan 0.000 0.537 64 C N 0.789 120.001 119.300 -0.147 0.000 3.104 64 C HA 0.223 4.701 4.460 0.031 0.000 0.284 64 C C 0.385 175.152 174.990 -0.371 0.000 1.326 64 C CA -0.329 58.617 59.018 -0.119 0.000 1.725 64 C CB -0.923 26.833 27.740 0.027 0.000 2.156 64 C HN 0.631 nan 8.230 nan 0.000 0.638 65 D N -0.790 119.415 120.400 -0.326 0.000 3.070 65 D HA -0.151 4.507 4.640 0.031 0.000 0.210 65 D C -0.191 175.979 176.300 -0.216 0.000 1.103 65 D CA 0.970 54.811 54.000 -0.266 0.000 0.980 65 D CB -1.686 38.974 40.800 -0.234 0.000 1.100 65 D HN 0.467 nan 8.370 nan 0.000 0.423 66 F N 0.965 121.002 119.950 0.145 0.000 2.389 66 F HA 0.331 4.876 4.527 0.030 0.000 0.337 66 F C 1.521 177.503 175.800 0.305 0.000 1.112 66 F CA -0.380 57.747 58.000 0.213 0.000 1.192 66 F CB 0.906 39.980 39.000 0.123 0.000 1.185 66 F HN -0.337 nan 8.300 nan 0.000 0.552 67 S N 1.771 117.734 115.700 0.438 0.000 2.580 67 S HA 0.487 4.975 4.470 0.031 0.000 0.274 67 S C -0.198 174.546 174.600 0.239 0.000 1.329 67 S CA -0.866 57.441 58.200 0.177 0.000 1.036 67 S CB 1.227 64.400 63.200 -0.044 0.000 0.919 67 S HN 0.499 nan 8.310 nan 0.000 0.515 68 V N 0.412 120.415 119.914 0.149 0.000 3.155 68 V HA 0.758 4.896 4.120 0.031 0.000 0.313 68 V C -1.074 175.158 176.094 0.229 0.000 1.162 68 V CA -1.032 61.388 62.300 0.200 0.000 1.048 68 V CB 1.553 33.500 31.823 0.207 0.000 1.092 68 V HN 0.549 nan 8.190 nan 0.000 0.447 69 L N 3.408 124.764 121.223 0.222 0.000 2.556 69 L HA 0.664 5.022 4.340 0.031 0.000 0.243 69 L C -2.547 174.422 176.870 0.166 0.000 1.331 69 L CA -1.710 53.287 54.840 0.261 0.000 0.927 69 L CB 0.902 43.149 42.059 0.313 0.000 1.219 69 L HN 0.652 nan 8.230 nan 0.000 0.490 70 P HA 0.572 nan 4.420 nan 0.000 0.287 70 P C -1.392 175.931 177.300 0.038 0.000 1.296 70 P CA -0.797 62.346 63.100 0.072 0.000 0.811 70 P CB 2.339 34.082 31.700 0.073 0.000 1.211 71 L N -0.760 120.479 121.223 0.028 0.000 2.549 71 L HA 0.654 5.013 4.340 0.031 0.000 0.259 71 L C -1.196 175.702 176.870 0.046 0.000 0.934 71 L CA -0.636 54.216 54.840 0.020 0.000 0.865 71 L CB 1.676 43.750 42.059 0.025 0.000 1.352 71 L HN 0.464 nan 8.230 nan 0.000 0.410 72 A N 4.758 127.605 122.820 0.046 0.000 2.327 72 A HA 0.764 5.102 4.320 0.031 0.000 0.283 72 A C -0.333 177.305 177.584 0.090 0.000 1.127 72 A CA -0.350 51.727 52.037 0.067 0.000 0.810 72 A CB 0.176 19.209 19.000 0.056 0.000 1.066 72 A HN 0.764 nan 8.150 nan 0.000 0.492 73 I N -1.613 119.029 120.570 0.119 0.000 3.023 73 I HA 0.429 4.617 4.170 0.031 0.000 0.312 73 I C 0.193 176.407 176.117 0.161 0.000 1.056 73 I CA -0.824 60.575 61.300 0.164 0.000 1.033 73 I CB 1.650 39.779 38.000 0.215 0.000 1.233 73 I HN 0.506 nan 8.210 nan 0.000 0.462 74 D N 1.619 122.113 120.400 0.156 0.000 2.355 74 D HA 0.102 4.761 4.640 0.031 0.000 0.253 74 D C -0.799 175.330 176.300 -0.284 0.000 1.187 74 D CA 0.576 54.557 54.000 -0.031 0.000 0.900 74 D CB -0.202 40.554 40.800 -0.073 0.000 0.915 74 D HN 0.274 nan 8.370 nan 0.000 0.516 75 F N 0.700 120.670 119.950 0.033 0.000 2.482 75 F HA 0.240 4.778 4.527 0.019 0.000 0.331 75 F C 0.338 176.159 175.800 0.035 0.000 1.115 75 F CA -0.914 57.105 58.000 0.031 0.000 0.955 75 F CB 1.676 40.696 39.000 0.034 0.000 1.136 75 F HN -0.145 nan 8.300 nan 0.000 0.452 76 D N 1.228 121.693 120.400 0.108 0.000 2.752 76 D HA 0.582 5.240 4.640 0.031 0.000 0.313 76 D C -1.413 174.942 176.300 0.091 0.000 1.225 76 D CA -0.855 53.203 54.000 0.096 0.000 0.976 76 D CB 1.187 42.017 40.800 0.050 0.000 1.443 76 D HN 0.274 nan 8.370 nan 0.000 0.515 77 M N 0.460 120.121 119.600 0.102 0.000 2.253 77 M HA 0.565 5.064 4.480 0.031 0.000 0.314 77 M C -2.141 174.239 176.300 0.134 0.000 1.019 77 M CA -0.529 54.835 55.300 0.107 0.000 0.932 77 M CB 1.403 34.094 32.600 0.153 0.000 1.606 77 M HN 0.508 nan 8.290 nan 0.000 0.430 78 L N 4.447 125.749 121.223 0.132 0.000 2.346 78 L HA 0.668 5.027 4.340 0.031 0.000 0.276 78 L C -1.218 175.787 176.870 0.224 0.000 1.006 78 L CA -0.721 54.221 54.840 0.170 0.000 0.817 78 L CB 2.036 44.186 42.059 0.151 0.000 1.272 78 L HN 0.753 nan 8.230 nan 0.000 0.421 79 C N 3.101 122.557 119.300 0.259 0.000 2.316 79 C HA 0.683 5.161 4.460 0.031 0.000 0.324 79 C C 0.598 175.746 174.990 0.263 0.000 1.226 79 C CA -0.866 58.333 59.018 0.302 0.000 1.450 79 C CB 0.743 28.682 27.740 0.332 0.000 2.123 79 C HN 0.827 nan 8.230 nan 0.000 0.454 80 A N 3.904 126.916 122.820 0.320 0.000 2.276 80 A HA 0.748 5.087 4.320 0.031 0.000 0.300 80 A C -0.384 177.279 177.584 0.131 0.000 1.235 80 A CA -0.119 52.029 52.037 0.185 0.000 0.867 80 A CB 0.427 19.618 19.000 0.318 0.000 1.137 80 A HN 0.717 nan 8.150 nan 0.000 0.527 81 V N 2.623 122.348 119.914 -0.315 0.000 2.823 81 V HA 0.537 4.676 4.120 0.031 0.000 0.312 81 V C -0.085 175.659 176.094 -0.582 0.000 1.072 81 V CA -0.773 61.318 62.300 -0.350 0.000 0.937 81 V CB 2.141 33.626 31.823 -0.564 0.000 1.013 81 V HN 0.919 nan 8.190 nan 0.000 0.430 82 K N 2.456 122.712 120.400 -0.240 0.000 2.426 82 K HA 0.700 5.038 4.320 0.031 0.000 0.254 82 K C -1.446 175.083 176.600 -0.117 0.000 0.936 82 K CA -0.501 55.679 56.287 -0.180 0.000 0.801 82 K CB 2.036 34.545 32.500 0.016 0.000 1.139 82 K HN 0.497 nan 8.250 nan 0.000 0.424 83 V N 5.790 125.649 119.914 -0.091 0.000 2.465 83 V HA 0.341 4.480 4.120 0.031 0.000 0.279 83 V C 0.135 176.215 176.094 -0.023 0.000 1.045 83 V CA -0.657 61.626 62.300 -0.028 0.000 0.938 83 V CB 0.822 32.665 31.823 0.034 0.000 0.986 83 V HN 0.662 nan 8.190 nan 0.000 0.467 84 L N 3.384 124.591 121.223 -0.026 0.000 2.322 84 L HA 0.582 4.941 4.340 0.031 0.000 0.269 84 L C -0.100 176.762 176.870 -0.013 0.000 1.012 84 L CA -0.736 54.088 54.840 -0.025 0.000 0.815 84 L CB 1.710 43.742 42.059 -0.045 0.000 1.295 84 L HN 0.609 nan 8.230 nan 0.000 0.438 85 N N 1.088 119.782 118.700 -0.011 0.000 2.707 85 N HA 0.267 5.025 4.740 0.031 0.000 0.235 85 N C -1.348 174.156 175.510 -0.010 0.000 1.028 85 N CA -0.297 52.749 53.050 -0.006 0.000 0.906 85 N CB 0.619 39.104 38.487 -0.003 0.000 1.131 85 N HN 0.550 nan 8.380 nan 0.000 0.509 86 E N 1.009 121.201 120.200 -0.012 0.000 2.277 86 E HA 0.231 4.599 4.350 0.031 0.000 0.266 86 E C 0.344 176.938 176.600 -0.010 0.000 0.901 86 E CA -0.837 55.555 56.400 -0.014 0.000 0.782 86 E CB 2.322 32.009 29.700 -0.022 0.000 1.228 86 E HN 0.307 nan 8.360 nan 0.000 0.424 87 K N 1.244 121.639 120.400 -0.009 0.000 2.001 87 K HA -0.028 4.311 4.320 0.031 0.000 0.208 87 K C -0.014 176.583 176.600 -0.005 0.000 1.048 87 K CA 1.093 57.376 56.287 -0.006 0.000 0.932 87 K CB 0.217 32.714 32.500 -0.005 0.000 0.715 87 K HN 0.357 nan 8.250 nan 0.000 0.437 88 N N 2.122 120.818 118.700 -0.007 0.000 2.800 88 N HA 0.235 4.993 4.740 0.031 0.000 0.240 88 N C -2.769 172.733 175.510 -0.014 0.000 1.096 88 N CA -1.326 51.720 53.050 -0.005 0.000 0.877 88 N CB 1.512 39.998 38.487 -0.001 0.000 1.138 88 N HN 0.083 nan 8.380 nan 0.000 0.509 89 P HA -0.026 nan 4.420 nan 0.000 0.264 89 P C -0.029 177.242 177.300 -0.048 0.000 1.183 89 P CA 0.435 63.516 63.100 -0.031 0.000 0.763 89 P CB 0.621 32.308 31.700 -0.022 0.000 0.807 90 S N 1.872 117.515 115.700 -0.094 0.000 2.671 90 S HA 0.769 5.257 4.470 0.031 0.000 0.277 90 S C -0.890 173.538 174.600 -0.286 0.000 1.165 90 S CA -0.884 57.212 58.200 -0.174 0.000 0.822 90 S CB 1.093 64.201 63.200 -0.153 0.000 1.150 90 S HN 0.228 nan 8.310 nan 0.000 0.479 91 I N 1.103 121.331 120.570 -0.569 0.000 2.466 91 I HA 0.449 4.637 4.170 0.031 0.000 0.289 91 I C -0.825 174.868 176.117 -0.707 0.000 1.026 91 I CA -0.382 60.507 61.300 -0.684 0.000 1.078 91 I CB 2.493 40.011 38.000 -0.803 0.000 1.249 91 I HN 0.654 nan 8.210 nan 0.000 0.429 92 T N 7.024 121.339 114.554 -0.398 0.000 2.779 92 T HA 0.613 4.981 4.350 0.031 0.000 0.280 92 T C -0.377 174.237 174.700 -0.143 0.000 0.987 92 T CA -0.471 61.508 62.100 -0.202 0.000 0.966 92 T CB 1.036 69.891 68.868 -0.022 0.000 0.933 92 T HN 0.263 nan 8.240 nan 0.000 0.442 93 L N 4.389 125.543 121.223 -0.115 0.000 2.333 93 L HA 0.641 5.000 4.340 0.031 0.000 0.280 93 L C -0.653 176.334 176.870 0.193 0.000 1.004 93 L CA -0.828 53.984 54.840 -0.045 0.000 0.820 93 L CB 1.505 43.366 42.059 -0.330 0.000 1.247 93 L HN 0.504 nan 8.230 nan 0.000 0.416 94 I N 3.234 123.942 120.570 0.229 0.000 2.545 94 I HA 0.386 4.575 4.170 0.031 0.000 0.292 94 I C -0.538 175.431 176.117 -0.247 0.000 1.040 94 I CA -0.544 60.809 61.300 0.089 0.000 1.068 94 I CB 2.296 40.328 38.000 0.054 0.000 1.251 94 I HN 0.573 nan 8.210 nan 0.000 0.424 95 N N 3.127 121.615 118.700 -0.354 0.000 2.314 95 N HA 0.423 5.181 4.740 0.031 0.000 0.304 95 N C 0.425 175.598 175.510 -0.562 0.000 1.073 95 N CA -0.237 52.436 53.050 -0.629 0.000 0.822 95 N CB 2.505 40.511 38.487 -0.803 0.000 1.280 95 N HN 0.752 nan 8.380 nan 0.000 0.489 96 A N 1.669 124.178 122.820 -0.518 0.000 2.067 96 A HA -0.077 4.262 4.320 0.031 0.000 0.219 96 A C 0.640 178.195 177.584 -0.049 0.000 1.158 96 A CA 1.025 53.025 52.037 -0.062 0.000 0.661 96 A CB -0.094 18.961 19.000 0.090 0.000 0.801 96 A HN 0.663 nan 8.150 nan 0.000 0.452 97 D N -0.547 119.784 120.400 -0.115 0.000 2.313 97 D HA 0.252 4.911 4.640 0.031 0.000 0.239 97 D C -1.577 174.615 176.300 -0.180 0.000 1.142 97 D CA -2.132 51.809 54.000 -0.099 0.000 0.847 97 D CB 1.397 42.195 40.800 -0.003 0.000 1.082 97 D HN 0.026 nan 8.370 nan 0.000 0.480 98 P HA -0.198 nan 4.420 nan 0.000 0.217 98 P C 1.040 178.172 177.300 -0.280 0.000 1.151 98 P CA 1.157 64.156 63.100 -0.169 0.000 0.849 98 P CB 0.421 32.044 31.700 -0.129 0.000 0.787 99 K N -1.118 119.013 120.400 -0.448 0.000 2.160 99 K HA -0.115 4.223 4.320 0.031 0.000 0.206 99 K C 0.467 176.505 176.600 -0.937 0.000 1.047 99 K CA 0.947 56.791 56.287 -0.738 0.000 0.930 99 K CB -0.429 31.383 32.500 -1.147 0.000 0.720 99 K HN 0.255 nan 8.250 nan 0.000 0.450 100 F N 0.782 120.476 119.950 -0.426 0.000 2.332 100 F HA 0.326 4.870 4.527 0.029 0.000 0.368 100 F C 0.362 175.912 175.800 -0.417 0.000 1.110 100 F CA -1.191 56.362 58.000 -0.744 0.000 1.087 100 F CB 0.991 39.022 39.000 -1.616 0.000 1.235 100 F HN -0.118 nan 8.300 nan 0.000 0.470 101 A N 3.169 126.053 122.820 0.106 0.000 2.351 101 A HA 0.288 4.626 4.320 0.031 0.000 0.257 101 A C 0.066 177.929 177.584 0.465 0.000 1.087 101 A CA -0.569 51.599 52.037 0.219 0.000 0.798 101 A CB 0.451 19.553 19.000 0.169 0.000 1.033 101 A HN 0.775 nan 8.150 nan 0.000 0.488 102 Q N 0.810 120.776 119.800 0.277 0.000 2.330 102 Q HA 0.236 4.594 4.340 0.031 0.000 0.279 102 Q C -0.467 175.667 176.000 0.223 0.000 1.024 102 Q CA 0.465 56.425 55.803 0.262 0.000 0.900 102 Q CB 0.420 29.233 28.738 0.125 0.000 1.221 102 Q HN 0.659 nan 8.270 nan 0.000 0.396 103 R N 3.475 124.068 120.500 0.155 0.000 2.807 103 R HA 0.590 4.949 4.340 0.031 0.000 0.276 103 R C -1.012 175.286 176.300 -0.004 0.000 0.979 103 R CA -1.029 55.103 56.100 0.054 0.000 0.928 103 R CB 1.778 32.047 30.300 -0.052 0.000 1.191 103 R HN 0.502 nan 8.270 nan 0.000 0.471 104 K N 2.298 122.721 120.400 0.039 0.000 2.588 104 K HA 0.352 4.690 4.320 0.031 0.000 0.250 104 K C -1.734 174.882 176.600 0.026 0.000 0.972 104 K CA -0.412 55.833 56.287 -0.071 0.000 0.821 104 K CB 1.543 34.022 32.500 -0.036 0.000 1.249 104 K HN 0.572 nan 8.250 nan 0.000 0.442 105 F N -0.210 119.698 119.950 -0.070 0.000 2.645 105 F HA 0.542 5.087 4.527 0.030 0.000 0.310 105 F C -0.662 175.120 175.800 -0.031 0.000 1.102 105 F CA -1.143 56.831 58.000 -0.044 0.000 0.952 105 F CB 0.945 39.919 39.000 -0.044 0.000 1.326 105 F HN 0.123 nan 8.300 nan 0.000 0.456 106 D N 2.341 122.854 120.400 0.188 0.000 2.210 106 D HA 0.428 5.087 4.640 0.031 0.000 0.249 106 D C -0.396 176.017 176.300 0.190 0.000 1.062 106 D CA -0.040 54.023 54.000 0.105 0.000 0.891 106 D CB 2.050 42.895 40.800 0.074 0.000 1.186 106 D HN 0.526 nan 8.370 nan 0.000 0.432 107 L N 3.320 124.605 121.223 0.104 0.000 2.276 107 L HA 0.291 4.649 4.340 0.031 0.000 0.286 107 L C -2.041 174.869 176.870 0.067 0.000 1.061 107 L CA -1.856 53.047 54.840 0.106 0.000 0.807 107 L CB 0.920 43.005 42.059 0.042 0.000 1.177 107 L HN 0.048 nan 8.230 nan 0.000 0.429 108 P HA 0.005 nan 4.420 nan 0.000 0.261 108 P C 0.824 178.144 177.300 0.033 0.000 1.183 108 P CA 0.117 63.246 63.100 0.049 0.000 0.761 108 P CB 0.672 32.401 31.700 0.049 0.000 0.785 109 L N 2.398 123.636 121.223 0.025 0.000 2.131 109 L HA -0.203 4.156 4.340 0.031 0.000 0.210 109 L C 1.710 178.588 176.870 0.014 0.000 1.092 109 L CA 1.862 56.712 54.840 0.017 0.000 0.759 109 L CB -0.777 41.289 42.059 0.012 0.000 0.903 109 L HN 0.396 nan 8.230 nan 0.000 0.435 110 D N -0.630 119.777 120.400 0.012 0.000 2.371 110 D HA -0.025 4.634 4.640 0.031 0.000 0.221 110 D C 1.452 177.753 176.300 0.001 0.000 0.986 110 D CA 0.830 54.833 54.000 0.005 0.000 0.899 110 D CB -0.058 40.743 40.800 0.003 0.000 0.902 110 D HN 0.259 nan 8.370 nan 0.000 0.530 111 G N -0.214 108.594 108.800 0.013 0.000 2.132 111 G HA2 -0.268 3.711 3.960 0.031 0.000 0.234 111 G HA3 -0.268 3.711 3.960 0.031 0.000 0.234 111 G C 0.368 175.218 174.900 -0.083 0.000 0.989 111 G CA 0.318 45.430 45.100 0.021 0.000 0.676 111 G HN 0.805 nan 8.290 nan 0.000 0.522 112 S N -0.757 114.901 115.700 -0.069 0.000 2.669 112 S HA 0.736 5.224 4.470 0.031 0.000 0.270 112 S C 0.232 174.749 174.600 -0.138 0.000 1.225 112 S CA -0.790 57.330 58.200 -0.133 0.000 0.991 112 S CB 1.162 64.358 63.200 -0.006 0.000 0.987 112 S HN 0.361 nan 8.310 nan 0.000 0.552 113 Y N -0.203 120.067 120.300 -0.050 0.000 2.301 113 Y HA 0.391 4.959 4.550 0.031 0.000 0.328 113 Y C 0.623 176.533 175.900 0.017 0.000 1.242 113 Y CA -0.717 57.357 58.100 -0.043 0.000 1.323 113 Y CB 0.585 38.943 38.460 -0.169 0.000 1.266 113 Y HN 0.391 nan 8.280 nan 0.000 0.527 114 V N 2.182 122.226 119.914 0.216 0.000 2.614 114 V HA 0.085 4.223 4.120 0.031 0.000 0.291 114 V C 0.116 176.244 176.094 0.057 0.000 1.049 114 V CA -0.828 61.525 62.300 0.088 0.000 1.038 114 V CB 1.023 32.857 31.823 0.018 0.000 0.980 114 V HN 0.895 nan 8.190 nan 0.000 0.481 115 T N 3.990 118.545 114.554 0.001 0.000 2.870 115 T HA 0.534 4.903 4.350 0.031 0.000 0.300 115 T C -0.386 174.275 174.700 -0.064 0.000 0.989 115 T CA -0.253 61.839 62.100 -0.012 0.000 1.139 115 T CB 0.166 69.028 68.868 -0.010 0.000 0.920 115 T HN 0.369 nan 8.240 nan 0.000 0.537 116 I N 2.711 123.250 120.570 -0.053 0.000 2.339 116 I HA 0.309 4.498 4.170 0.031 0.000 0.290 116 I C -0.297 175.796 176.117 -0.039 0.000 0.994 116 I CA -0.713 60.542 61.300 -0.075 0.000 1.191 116 I CB 1.461 39.404 38.000 -0.096 0.000 1.343 116 I HN 0.672 nan 8.210 nan 0.000 0.458 117 D N 8.849 129.225 120.400 -0.040 0.000 2.453 117 D HA 0.340 4.998 4.640 0.031 0.000 0.238 117 D C -1.815 174.492 176.300 0.013 0.000 1.088 117 D CA -2.126 51.870 54.000 -0.007 0.000 0.854 117 D CB 1.829 42.627 40.800 -0.003 0.000 1.076 117 D HN 0.135 nan 8.370 nan 0.000 0.533 118 P HA -0.127 nan 4.420 nan 0.000 0.223 118 P C 1.416 178.832 177.300 0.194 0.000 1.151 118 P CA 0.585 63.769 63.100 0.139 0.000 0.787 118 P CB 0.089 31.912 31.700 0.205 0.000 0.788 119 S N -1.157 114.615 115.700 0.120 0.000 2.441 119 S HA -0.100 4.388 4.470 0.031 0.000 0.242 119 S C 0.841 175.511 174.600 0.116 0.000 1.018 119 S CA 0.877 59.144 58.200 0.111 0.000 0.988 119 S CB -0.885 62.353 63.200 0.064 0.000 0.778 119 S HN -0.042 nan 8.310 nan 0.000 0.498 120 V N 1.029 120.991 119.914 0.081 0.000 2.715 120 V HA 0.577 4.716 4.120 0.031 0.000 0.310 120 V C -0.179 175.905 176.094 -0.016 0.000 1.054 120 V CA -0.654 61.677 62.300 0.053 0.000 0.928 120 V CB 1.818 33.661 31.823 0.032 0.000 1.007 120 V HN 0.317 nan 8.190 nan 0.000 0.437 121 S N 3.174 118.864 115.700 -0.016 0.000 2.474 121 S HA 0.494 4.983 4.470 0.031 0.000 0.320 121 S C -0.936 173.684 174.600 0.033 0.000 1.067 121 S CA -0.446 57.678 58.200 -0.126 0.000 1.127 121 S CB -0.019 63.103 63.200 -0.129 0.000 0.971 121 S HN 0.881 nan 8.310 nan 0.000 0.472 122 D N 3.411 123.853 120.400 0.070 0.000 2.934 122 D HA 0.335 4.993 4.640 0.031 0.000 0.230 122 D C 1.076 177.548 176.300 0.287 0.000 1.204 122 D CA -0.753 53.362 54.000 0.193 0.000 0.873 122 D CB 0.626 41.495 40.800 0.116 0.000 1.645 122 D HN 0.551 nan 8.370 nan 0.000 0.502 123 W N 3.440 124.863 121.300 0.206 0.000 2.364 123 W HA -0.138 4.541 4.660 0.032 0.000 0.281 123 W C 1.170 177.888 176.519 0.333 0.000 1.219 123 W CA 1.369 58.851 57.345 0.229 0.000 1.220 123 W CB -1.552 27.927 29.460 0.032 0.000 1.127 123 W HN 0.405 nan 8.180 nan 0.000 0.556 124 S N 0.908 116.401 115.700 -0.345 0.000 2.474 124 S HA -0.212 4.277 4.470 0.031 0.000 0.235 124 S C 1.541 176.105 174.600 -0.059 0.000 0.997 124 S CA 1.204 59.184 58.200 -0.366 0.000 0.949 124 S CB -0.736 62.217 63.200 -0.412 0.000 0.766 124 S HN 0.144 nan 8.310 nan 0.000 0.517 125 N N 1.188 119.889 118.700 0.001 0.000 2.120 125 N HA -0.009 4.750 4.740 0.031 0.000 0.188 125 N C 1.301 176.773 175.510 -0.063 0.000 1.024 125 N CA 1.424 54.446 53.050 -0.046 0.000 0.852 125 N CB -0.677 37.772 38.487 -0.064 0.000 1.003 125 N HN 0.564 nan 8.380 nan 0.000 0.424 126 Y N -0.481 119.819 120.300 -0.000 0.000 2.293 126 Y HA -0.115 4.455 4.550 0.033 0.000 0.291 126 Y C 2.112 177.814 175.900 -0.330 0.000 1.137 126 Y CA 0.886 58.943 58.100 -0.072 0.000 1.202 126 Y CB -0.344 38.196 38.460 0.134 0.000 0.990 126 Y HN 0.027 nan 8.280 nan 0.000 0.537 127 F N 0.998 120.792 119.950 -0.259 0.000 2.084 127 F HA -0.186 4.359 4.527 0.030 0.000 0.296 127 F C 2.084 177.764 175.800 -0.199 0.000 1.111 127 F CA 1.653 59.438 58.000 -0.360 0.000 1.224 127 F CB -0.283 38.628 39.000 -0.148 0.000 0.991 127 F HN -0.195 nan 8.300 nan 0.000 0.471 128 K N -0.500 119.944 120.400 0.073 0.000 2.211 128 K HA -0.218 4.121 4.320 0.031 0.000 0.204 128 K C 2.201 178.718 176.600 -0.139 0.000 1.047 128 K CA 1.347 57.624 56.287 -0.017 0.000 0.935 128 K CB -0.756 31.685 32.500 -0.098 0.000 0.728 128 K HN 0.363 nan 8.250 nan 0.000 0.452 129 C N 0.170 119.351 119.300 -0.199 0.000 2.453 129 C HA -0.061 4.418 4.460 0.031 0.000 0.277 129 C C 2.809 177.684 174.990 -0.192 0.000 1.262 129 C CA 1.251 60.147 59.018 -0.202 0.000 1.718 129 C CB -1.113 26.501 27.740 -0.210 0.000 2.031 129 C HN 0.710 nan 8.230 nan 0.000 0.480 130 G N -0.208 108.413 108.800 -0.298 0.000 2.421 130 G HA2 -0.130 3.849 3.960 0.031 0.000 0.217 130 G HA3 -0.130 3.849 3.960 0.031 0.000 0.217 130 G C 1.508 176.248 174.900 -0.265 0.000 1.143 130 G CA 0.751 45.675 45.100 -0.293 0.000 0.784 130 G HN 0.473 nan 8.290 nan 0.000 0.541 131 L N 0.004 121.024 121.223 -0.337 0.000 1.994 131 L HA -0.084 4.274 4.340 0.031 0.000 0.208 131 L C 2.488 179.354 176.870 -0.007 0.000 1.071 131 L CA 2.289 57.011 54.840 -0.195 0.000 0.745 131 L CB -0.736 41.270 42.059 -0.089 0.000 0.892 131 L HN 0.315 nan 8.230 nan 0.000 0.431 132 H N -0.342 118.672 119.070 -0.093 0.000 2.265 132 H HA -0.166 4.408 4.556 0.031 0.000 0.295 132 H C 2.232 177.545 175.328 -0.025 0.000 1.084 132 H CA 2.965 58.974 56.048 -0.066 0.000 1.261 132 H CB -0.267 29.216 29.762 -0.466 0.000 1.360 132 H HN 0.400 nan 8.280 nan 0.000 0.487 133 V N -0.564 119.426 119.914 0.125 0.000 2.407 133 V HA -0.133 4.005 4.120 0.031 0.000 0.248 133 V C 2.785 178.953 176.094 0.124 0.000 1.055 133 V CA 1.833 64.218 62.300 0.141 0.000 1.049 133 V CB -1.527 30.351 31.823 0.091 0.000 0.662 133 V HN 0.477 nan 8.190 nan 0.000 0.455 134 A N -0.250 122.601 122.820 0.052 0.000 1.902 134 A HA -0.255 4.084 4.320 0.031 0.000 0.217 134 A C 2.212 179.872 177.584 0.126 0.000 1.181 134 A CA 2.097 54.164 52.037 0.050 0.000 0.623 134 A CB -1.196 17.776 19.000 -0.047 0.000 0.818 134 A HN 0.832 nan 8.150 nan 0.000 0.443 135 H N -1.049 117.997 119.070 -0.040 0.000 2.267 135 H HA -0.139 4.435 4.556 0.031 0.000 0.297 135 H C 2.591 177.899 175.328 -0.035 0.000 1.080 135 H CA 1.412 57.393 56.048 -0.111 0.000 1.278 135 H CB 0.038 29.729 29.762 -0.119 0.000 1.365 135 H HN 0.481 nan 8.280 nan 0.000 0.489 136 S N -0.404 115.423 115.700 0.211 0.000 2.374 136 S HA -0.219 4.269 4.470 0.031 0.000 0.227 136 S C 1.863 176.551 174.600 0.148 0.000 1.037 136 S CA 1.511 59.813 58.200 0.169 0.000 1.024 136 S CB -0.530 62.779 63.200 0.183 0.000 0.861 136 S HN 0.445 nan 8.310 nan 0.000 0.456 137 F N 1.765 121.737 119.950 0.036 0.000 2.113 137 F HA 0.015 4.561 4.527 0.032 0.000 0.297 137 F C 1.829 177.621 175.800 -0.013 0.000 1.103 137 F CA 1.296 59.304 58.000 0.015 0.000 1.248 137 F CB -0.463 38.539 39.000 0.004 0.000 0.999 137 F HN 0.143 nan 8.300 nan 0.000 0.475 138 L N 0.159 121.357 121.223 -0.041 0.000 2.079 138 L HA -0.259 4.100 4.340 0.031 0.000 0.210 138 L C 2.455 179.280 176.870 -0.075 0.000 1.081 138 L CA 1.594 56.307 54.840 -0.211 0.000 0.752 138 L CB -0.652 41.129 42.059 -0.463 0.000 0.896 138 L HN 0.106 nan 8.230 nan 0.000 0.433 139 K N 0.114 120.505 120.400 -0.014 0.000 2.097 139 K HA -0.200 4.139 4.320 0.031 0.000 0.206 139 K C 2.108 178.697 176.600 -0.019 0.000 1.049 139 K CA 1.443 57.759 56.287 0.049 0.000 0.933 139 K CB -0.007 32.487 32.500 -0.010 0.000 0.717 139 K HN 0.269 nan 8.250 nan 0.000 0.442 140 K N 0.293 120.626 120.400 -0.113 0.000 2.103 140 K HA -0.099 4.239 4.320 0.031 0.000 0.204 140 K C 1.941 178.429 176.600 -0.186 0.000 1.052 140 K CA 0.655 56.858 56.287 -0.140 0.000 0.945 140 K CB -0.052 32.363 32.500 -0.143 0.000 0.722 140 K HN -0.021 nan 8.250 nan 0.000 0.443 141 L N 0.332 121.368 121.223 -0.311 0.000 2.056 141 L HA 0.002 4.361 4.340 0.031 0.000 0.207 141 L C 0.739 177.540 176.870 -0.114 0.000 1.078 141 L CA 1.613 56.283 54.840 -0.283 0.000 0.749 141 L CB -0.175 41.599 42.059 -0.475 0.000 0.901 141 L HN 0.076 nan 8.230 nan 0.000 0.433 142 A N -1.622 121.192 122.820 -0.010 0.000 3.308 142 A HA 0.487 4.825 4.320 0.031 0.000 0.275 142 A C -1.774 175.797 177.584 -0.021 0.000 0.950 142 A CA -0.753 51.280 52.037 -0.007 0.000 0.987 142 A CB -0.310 18.695 19.000 0.009 0.000 1.146 142 A HN 0.198 nan 8.150 nan 0.000 0.488 143 P HA -0.274 nan 4.420 nan 0.000 0.218 143 P C 1.270 178.522 177.300 -0.080 0.000 1.154 143 P CA 1.661 64.747 63.100 -0.023 0.000 0.872 143 P CB 0.233 31.913 31.700 -0.034 0.000 0.790 144 E N -0.496 119.632 120.200 -0.120 0.000 2.049 144 E HA -0.234 4.135 4.350 0.031 0.000 0.198 144 E C 2.348 178.802 176.600 -0.242 0.000 1.007 144 E CA 1.214 57.524 56.400 -0.151 0.000 0.809 144 E CB -0.377 29.235 29.700 -0.147 0.000 0.749 144 E HN 0.244 nan 8.360 nan 0.000 0.450 145 R N -0.400 119.847 120.500 -0.422 0.000 2.062 145 R HA -0.038 4.320 4.340 0.031 0.000 0.229 145 R C 1.827 177.598 176.300 -0.881 0.000 1.128 145 R CA 1.141 56.766 56.100 -0.792 0.000 0.960 145 R CB 0.014 29.566 30.300 -1.247 0.000 0.855 145 R HN 0.154 nan 8.270 nan 0.000 0.432 146 F N -0.777 119.137 119.950 -0.059 0.000 2.695 146 F HA 0.288 4.834 4.527 0.032 0.000 0.303 146 F C 1.890 177.661 175.800 -0.048 0.000 1.091 146 F CA -0.163 57.810 58.000 -0.045 0.000 1.300 146 F CB 0.268 39.248 39.000 -0.033 0.000 1.071 146 F HN 0.052 nan 8.300 nan 0.000 0.578 147 A N 0.339 123.179 122.820 0.034 0.000 1.851 147 A HA -0.169 4.170 4.320 0.031 0.000 0.216 147 A C 1.797 179.378 177.584 -0.005 0.000 1.195 147 A CA 2.116 54.156 52.037 0.005 0.000 0.622 147 A CB -0.810 18.176 19.000 -0.023 0.000 0.831 147 A HN 0.275 nan 8.150 nan 0.000 0.444 148 S N -1.866 113.827 115.700 -0.012 0.000 2.902 148 S HA 0.688 5.177 4.470 0.031 0.000 0.250 148 S C -0.070 174.528 174.600 -0.003 0.000 1.046 148 S CA 0.055 58.248 58.200 -0.011 0.000 1.069 148 S CB 0.216 63.405 63.200 -0.019 0.000 0.967 148 S HN 0.941 nan 8.310 nan 0.000 0.530 149 A N 2.151 124.982 122.820 0.018 0.000 2.423 149 A HA 0.968 5.306 4.320 0.031 0.000 0.304 149 A C -3.157 174.482 177.584 0.092 0.000 1.104 149 A CA -2.112 49.941 52.037 0.026 0.000 0.757 149 A CB 1.116 20.103 19.000 -0.023 0.000 1.313 149 A HN 0.174 nan 8.150 nan 0.000 0.423 150 P HA 0.513 nan 4.420 nan 0.000 0.278 150 P C -0.635 176.726 177.300 0.101 0.000 1.258 150 P CA -0.378 62.756 63.100 0.057 0.000 0.811 150 P CB 0.507 32.221 31.700 0.022 0.000 1.063 151 L N 0.107 121.311 121.223 -0.031 0.000 2.454 151 L HA 0.531 4.890 4.340 0.031 0.000 0.256 151 L C 1.064 177.925 176.870 -0.015 0.000 1.136 151 L CA -1.190 53.609 54.840 -0.068 0.000 0.804 151 L CB 0.057 41.932 42.059 -0.307 0.000 1.181 151 L HN 0.366 nan 8.230 nan 0.000 0.469 152 A N 0.535 123.359 122.820 0.006 0.000 2.483 152 A HA 0.424 4.762 4.320 0.031 0.000 0.238 152 A C 0.575 178.145 177.584 -0.023 0.000 1.070 152 A CA 0.272 52.315 52.037 0.009 0.000 0.770 152 A CB -0.124 18.893 19.000 0.029 0.000 1.008 152 A HN 0.814 nan 8.150 nan 0.000 0.497 153 G N -0.282 108.499 108.800 -0.031 0.000 2.634 153 G HA2 0.515 4.493 3.960 0.031 0.000 0.255 153 G HA3 0.515 4.493 3.960 0.031 0.000 0.255 153 G C -0.447 174.411 174.900 -0.070 0.000 1.205 153 G CA -0.419 44.642 45.100 -0.065 0.000 0.884 153 G HN 0.817 nan 8.290 nan 0.000 0.549 154 L N -0.995 120.161 121.223 -0.112 0.000 2.540 154 L HA 0.423 4.781 4.340 0.031 0.000 0.256 154 L C -0.706 176.052 176.870 -0.186 0.000 1.001 154 L CA -0.814 53.962 54.840 -0.108 0.000 0.843 154 L CB 2.381 44.417 42.059 -0.039 0.000 1.436 154 L HN 0.421 nan 8.230 nan 0.000 0.410 155 Q N 1.323 120.988 119.800 -0.225 0.000 2.327 155 Q HA 0.654 5.013 4.340 0.031 0.000 0.270 155 Q C -1.453 174.420 176.000 -0.211 0.000 1.022 155 Q CA -0.541 54.955 55.803 -0.511 0.000 0.773 155 Q CB 2.965 31.039 28.738 -1.106 0.000 1.251 155 Q HN 0.342 nan 8.270 nan 0.000 0.457 156 V N 2.913 122.808 119.914 -0.030 0.000 2.604 156 V HA 0.530 4.669 4.120 0.031 0.000 0.305 156 V C -1.056 175.331 176.094 0.489 0.000 1.043 156 V CA -0.837 61.633 62.300 0.284 0.000 0.888 156 V CB 1.524 33.460 31.823 0.189 0.000 0.995 156 V HN 0.633 nan 8.190 nan 0.000 0.429 157 F N 3.811 124.035 119.950 0.457 0.000 2.493 157 F HA 0.691 5.236 4.527 0.030 0.000 0.329 157 F C -0.284 175.702 175.800 0.310 0.000 1.126 157 F CA -0.408 57.812 58.000 0.366 0.000 0.937 157 F CB 1.206 40.433 39.000 0.379 0.000 1.146 157 F HN 0.499 nan 8.300 nan 0.000 0.442 158 C N 4.584 123.686 119.300 -0.330 0.000 2.379 158 C HA 0.597 5.076 4.460 0.031 0.000 0.323 158 C C -0.547 174.252 174.990 -0.317 0.000 1.262 158 C CA -0.775 58.158 59.018 -0.141 0.000 1.581 158 C CB 0.917 28.636 27.740 -0.036 0.000 2.221 158 C HN 0.855 nan 8.230 nan 0.000 0.497 159 E N 1.417 121.586 120.200 -0.051 0.000 2.302 159 E HA 0.557 4.926 4.350 0.031 0.000 0.263 159 E C -0.487 176.110 176.600 -0.005 0.000 0.897 159 E CA -0.029 56.364 56.400 -0.012 0.000 0.809 159 E CB 1.297 31.099 29.700 0.169 0.000 1.270 159 E HN 0.920 nan 8.360 nan 0.000 0.410 160 G N 2.318 111.081 108.800 -0.061 0.000 2.448 160 G HA2 0.339 4.318 3.960 0.031 0.000 0.324 160 G HA3 0.339 4.318 3.960 0.031 0.000 0.324 160 G C -0.118 174.801 174.900 0.032 0.000 1.203 160 G CA -0.604 44.482 45.100 -0.025 0.000 0.954 160 G HN 0.646 nan 8.290 nan 0.000 0.480 161 D N 0.209 120.666 120.400 0.095 0.000 2.433 161 D HA -0.002 4.656 4.640 0.031 0.000 0.211 161 D C 0.566 177.076 176.300 0.350 0.000 1.114 161 D CA -0.215 53.899 54.000 0.189 0.000 0.837 161 D CB 0.300 41.186 40.800 0.144 0.000 0.984 161 D HN 0.153 nan 8.370 nan 0.000 0.505 162 V N 2.651 122.702 119.914 0.229 0.000 2.470 162 V HA 0.235 4.374 4.120 0.031 0.000 0.276 162 V C -2.034 174.100 176.094 0.065 0.000 1.040 162 V CA -1.323 61.086 62.300 0.182 0.000 1.008 162 V CB 0.669 32.572 31.823 0.133 0.000 0.990 162 V HN 0.035 nan 8.190 nan 0.000 0.477 163 P HA 0.083 nan 4.420 nan 0.000 0.262 163 P C 0.283 177.585 177.300 0.003 0.000 1.199 163 P CA 0.116 63.204 63.100 -0.020 0.000 0.763 163 P CB -0.053 31.596 31.700 -0.084 0.000 0.790 164 T N -0.535 114.033 114.554 0.023 0.000 2.919 164 T HA 0.392 4.760 4.350 0.031 0.000 0.302 164 T C 1.191 175.918 174.700 0.044 0.000 1.031 164 T CA 0.114 62.235 62.100 0.034 0.000 1.127 164 T CB 0.168 69.076 68.868 0.066 0.000 0.952 164 T HN 0.779 nan 8.240 nan 0.000 0.540 165 G N 1.704 110.536 108.800 0.054 0.000 2.249 165 G HA2 -0.295 3.683 3.960 0.031 0.000 0.273 165 G HA3 -0.295 3.683 3.960 0.031 0.000 0.273 165 G C 0.659 175.609 174.900 0.083 0.000 1.036 165 G CA 0.517 45.666 45.100 0.081 0.000 0.824 165 G HN 1.598 nan 8.290 nan 0.000 0.504 166 S N -1.540 114.197 115.700 0.061 0.000 2.524 166 S HA 0.445 4.934 4.470 0.031 0.000 0.215 166 S C 2.045 176.683 174.600 0.062 0.000 0.986 166 S CA 1.046 59.276 58.200 0.051 0.000 0.911 166 S CB 0.613 63.817 63.200 0.007 0.000 0.805 166 S HN 2.248 nan 8.310 nan 0.000 0.501 167 G N 1.425 110.272 108.800 0.078 0.000 2.143 167 G HA2 -0.221 3.757 3.960 0.031 0.000 0.248 167 G HA3 -0.221 3.757 3.960 0.031 0.000 0.248 167 G C 0.349 175.286 174.900 0.061 0.000 0.991 167 G CA 0.534 45.685 45.100 0.086 0.000 0.689 167 G HN 0.554 nan 8.290 nan 0.000 0.522 168 L N 0.280 121.531 121.223 0.046 0.000 2.728 168 L HA 0.436 4.795 4.340 0.031 0.000 0.238 168 L C 1.521 178.427 176.870 0.060 0.000 1.143 168 L CA 0.533 55.398 54.840 0.042 0.000 0.937 168 L CB 0.368 42.434 42.059 0.011 0.000 1.225 168 L HN 0.658 nan 8.230 nan 0.000 0.507 169 S N -0.092 115.646 115.700 0.064 0.000 3.791 169 S HA -0.211 4.278 4.470 0.031 0.000 0.393 169 S C 1.368 176.014 174.600 0.076 0.000 0.936 169 S CA 0.576 58.820 58.200 0.073 0.000 1.234 169 S CB -1.005 62.244 63.200 0.083 0.000 0.891 169 S HN 0.576 nan 8.310 nan 0.000 0.519 170 S N 1.090 116.823 115.700 0.054 0.000 2.423 170 S HA -0.102 4.386 4.470 0.031 0.000 0.231 170 S C 2.105 176.744 174.600 0.065 0.000 1.014 170 S CA 1.812 60.041 58.200 0.048 0.000 0.965 170 S CB -0.542 62.661 63.200 0.006 0.000 0.785 170 S HN 1.428 nan 8.310 nan 0.000 0.495 171 S N 2.081 117.801 115.700 0.034 0.000 2.359 171 S HA -0.080 4.408 4.470 0.031 0.000 0.223 171 S C 2.144 176.852 174.600 0.179 0.000 1.039 171 S CA 1.260 59.489 58.200 0.048 0.000 1.042 171 S CB -1.181 62.056 63.200 0.062 0.000 0.915 171 S HN 0.749 nan 8.310 nan 0.000 0.439 172 A N 1.901 124.808 122.820 0.145 0.000 1.970 172 A HA 0.497 4.836 4.320 0.031 0.000 0.216 172 A C 2.484 180.150 177.584 0.138 0.000 1.170 172 A CA 1.313 53.430 52.037 0.133 0.000 0.645 172 A CB -1.309 17.754 19.000 0.105 0.000 0.816 172 A HN 0.782 nan 8.150 nan 0.000 0.447 173 A N -0.740 122.169 122.820 0.148 0.000 1.940 173 A HA -0.098 4.240 4.320 0.031 0.000 0.219 173 A C 2.002 179.724 177.584 0.229 0.000 1.176 173 A CA 1.776 53.908 52.037 0.158 0.000 0.631 173 A CB -0.682 18.403 19.000 0.142 0.000 0.814 173 A HN 0.606 nan 8.150 nan 0.000 0.446 174 F N 0.399 120.386 119.950 0.061 0.000 2.084 174 F HA -0.065 4.481 4.527 0.031 0.000 0.296 174 F C 1.995 177.847 175.800 0.086 0.000 1.111 174 F CA 1.044 59.090 58.000 0.077 0.000 1.224 174 F CB -0.745 38.288 39.000 0.056 0.000 0.991 174 F HN 0.174 nan 8.300 nan 0.000 0.471 175 I N -0.611 119.982 120.570 0.039 0.000 2.179 175 I HA -0.394 3.794 4.170 0.031 0.000 0.242 175 I C 2.588 178.658 176.117 -0.077 0.000 1.088 175 I CA 1.482 62.703 61.300 -0.132 0.000 1.357 175 I CB -0.593 37.394 38.000 -0.022 0.000 1.051 175 I HN 0.189 nan 8.210 nan 0.000 0.409 176 C N 0.479 119.789 119.300 0.017 0.000 2.429 176 C HA -0.140 4.339 4.460 0.031 0.000 0.277 176 C C 3.145 178.155 174.990 0.034 0.000 1.262 176 C CA 0.762 59.790 59.018 0.017 0.000 1.733 176 C CB -1.401 26.364 27.740 0.041 0.000 2.010 176 C HN 0.606 nan 8.230 nan 0.000 0.483 177 A N 0.448 123.326 122.820 0.096 0.000 1.940 177 A HA -0.105 4.233 4.320 0.031 0.000 0.219 177 A C 2.285 179.934 177.584 0.108 0.000 1.176 177 A CA 2.197 54.317 52.037 0.139 0.000 0.631 177 A CB -0.699 18.429 19.000 0.213 0.000 0.814 177 A HN 0.390 nan 8.150 nan 0.000 0.446 178 V N -0.280 119.645 119.914 0.020 0.000 2.358 178 V HA -0.217 3.921 4.120 0.031 0.000 0.246 178 V C 3.045 179.050 176.094 -0.149 0.000 1.047 178 V CA 1.873 64.099 62.300 -0.124 0.000 1.035 178 V CB -1.226 30.314 31.823 -0.470 0.000 0.658 178 V HN 0.614 nan 8.190 nan 0.000 0.452 179 A N -0.166 122.569 122.820 -0.142 0.000 1.902 179 A HA -0.186 4.153 4.320 0.031 0.000 0.217 179 A C 2.158 179.703 177.584 -0.064 0.000 1.181 179 A CA 2.035 54.000 52.037 -0.120 0.000 0.623 179 A CB -0.578 18.354 19.000 -0.114 0.000 0.818 179 A HN 0.428 nan 8.150 nan 0.000 0.443 180 L N -0.059 121.149 121.223 -0.024 0.000 1.970 180 L HA -0.095 4.263 4.340 0.031 0.000 0.212 180 L C 2.738 179.640 176.870 0.052 0.000 1.071 180 L CA 2.406 57.249 54.840 0.007 0.000 0.751 180 L CB -1.107 40.976 42.059 0.041 0.000 0.889 180 L HN 0.358 nan 8.230 nan 0.000 0.432 181 A N -1.081 121.824 122.820 0.141 0.000 1.892 181 A HA -0.208 4.130 4.320 0.031 0.000 0.218 181 A C 2.296 180.026 177.584 0.244 0.000 1.188 181 A CA 2.347 54.575 52.037 0.319 0.000 0.631 181 A CB -1.287 17.928 19.000 0.360 0.000 0.822 181 A HN 0.352 nan 8.150 nan 0.000 0.447 182 V N -0.583 119.389 119.914 0.097 0.000 2.392 182 V HA -0.234 3.905 4.120 0.031 0.000 0.249 182 V C 2.552 178.645 176.094 -0.001 0.000 1.059 182 V CA 1.974 64.295 62.300 0.035 0.000 1.051 182 V CB -0.680 31.106 31.823 -0.062 0.000 0.658 182 V HN 0.387 nan 8.190 nan 0.000 0.455 183 V N -0.292 119.616 119.914 -0.010 0.000 2.358 183 V HA -0.237 3.902 4.120 0.031 0.000 0.246 183 V C 2.472 178.553 176.094 -0.022 0.000 1.047 183 V CA 2.210 64.499 62.300 -0.019 0.000 1.035 183 V CB -0.552 31.288 31.823 0.028 0.000 0.658 183 V HN 0.497 nan 8.190 nan 0.000 0.452 184 K N 1.017 121.401 120.400 -0.027 0.000 2.026 184 K HA -0.119 4.219 4.320 0.031 0.000 0.208 184 K C 2.098 178.663 176.600 -0.059 0.000 1.048 184 K CA 1.827 58.029 56.287 -0.141 0.000 0.929 184 K CB -0.830 31.372 32.500 -0.496 0.000 0.713 184 K HN 0.377 nan 8.250 nan 0.000 0.439 185 A N 0.990 123.904 122.820 0.157 0.000 1.948 185 A HA -0.208 4.131 4.320 0.031 0.000 0.220 185 A C 1.863 179.513 177.584 0.110 0.000 1.177 185 A CA 2.049 54.251 52.037 0.275 0.000 0.636 185 A CB -0.605 18.573 19.000 0.297 0.000 0.815 185 A HN 0.478 nan 8.150 nan 0.000 0.449 186 N N -1.374 117.344 118.700 0.029 0.000 2.368 186 N HA -0.001 4.758 4.740 0.031 0.000 0.176 186 N C 1.358 176.897 175.510 0.049 0.000 1.021 186 N CA 0.951 54.015 53.050 0.022 0.000 0.888 186 N CB -0.098 38.301 38.487 -0.147 0.000 0.995 186 N HN 0.297 nan 8.380 nan 0.000 0.437 187 M N 0.484 120.062 119.600 -0.036 0.000 2.447 187 M HA 0.153 4.652 4.480 0.031 0.000 0.264 187 M C 0.997 177.297 176.300 -0.000 0.000 1.095 187 M CA 0.242 55.493 55.300 -0.082 0.000 1.125 187 M CB -0.941 31.458 32.600 -0.336 0.000 1.389 187 M HN 0.110 nan 8.290 nan 0.000 0.459 188 G N 0.324 109.128 108.800 0.007 0.000 2.746 188 G HA2 -0.128 3.850 3.960 0.031 0.000 0.685 188 G HA3 -0.128 3.850 3.960 0.031 0.000 0.685 188 G C -2.258 172.618 174.900 -0.041 0.000 1.350 188 G CA -0.535 44.568 45.100 0.004 0.000 0.837 188 G HN 0.107 nan 8.290 nan 0.000 0.564 189 P HA -0.026 nan 4.420 nan 0.000 0.216 189 P C 1.862 179.066 177.300 -0.160 0.000 1.150 189 P CA 2.144 65.183 63.100 -0.101 0.000 0.837 189 P CB -0.152 31.523 31.700 -0.041 0.000 0.786 190 G N -2.624 106.110 108.800 -0.111 0.000 2.848 190 G HA2 -0.139 3.840 3.960 0.031 0.000 0.208 190 G HA3 -0.139 3.840 3.960 0.031 0.000 0.208 190 G C -0.040 174.642 174.900 -0.364 0.000 1.152 190 G CA -0.029 44.990 45.100 -0.135 0.000 0.789 190 G HN 0.249 nan 8.290 nan 0.000 0.531 191 Y N 2.270 122.279 120.300 -0.486 0.000 2.313 191 Y HA 0.425 4.994 4.550 0.031 0.000 0.332 191 Y C -0.200 175.268 175.900 -0.719 0.000 1.071 191 Y CA -1.290 56.533 58.100 -0.462 0.000 1.169 191 Y CB 0.546 38.893 38.460 -0.187 0.000 1.192 191 Y HN 0.192 nan 8.280 nan 0.000 0.487 192 H N 7.156 125.650 119.070 -0.960 0.000 2.646 192 H HA 0.265 4.839 4.556 0.031 0.000 0.328 192 H C -0.386 174.488 175.328 -0.757 0.000 0.998 192 H CA -0.912 54.749 56.048 -0.644 0.000 1.225 192 H CB 1.241 30.788 29.762 -0.357 0.000 1.457 192 H HN 0.602 nan 8.280 nan 0.000 0.505 193 M N 2.565 121.998 119.600 -0.278 0.000 2.243 193 M HA 0.038 4.537 4.480 0.031 0.000 0.341 193 M C 0.751 177.006 176.300 -0.076 0.000 1.130 193 M CA 0.101 55.352 55.300 -0.080 0.000 1.162 193 M CB 0.902 33.502 32.600 0.000 0.000 1.497 193 M HN 0.640 nan 8.290 nan 0.000 0.456 194 S N 3.048 118.726 115.700 -0.038 0.000 2.508 194 S HA 0.330 4.818 4.470 0.031 0.000 0.284 194 S C 0.773 175.346 174.600 -0.044 0.000 1.192 194 S CA -0.781 57.397 58.200 -0.038 0.000 1.070 194 S CB 1.520 64.715 63.200 -0.009 0.000 1.004 194 S HN 0.695 nan 8.310 nan 0.000 0.493 195 K N 1.512 121.885 120.400 -0.044 0.000 2.113 195 K HA -0.239 4.100 4.320 0.031 0.000 0.208 195 K C 2.122 178.695 176.600 -0.045 0.000 1.047 195 K CA 1.847 58.109 56.287 -0.042 0.000 0.928 195 K CB -0.273 32.204 32.500 -0.039 0.000 0.716 195 K HN 0.713 nan 8.250 nan 0.000 0.446 196 Q N 1.239 121.016 119.800 -0.037 0.000 2.050 196 Q HA -0.145 4.214 4.340 0.031 0.000 0.202 196 Q C 1.736 177.715 176.000 -0.035 0.000 0.980 196 Q CA 1.629 57.414 55.803 -0.030 0.000 0.840 196 Q CB -0.017 28.711 28.738 -0.016 0.000 0.898 196 Q HN 0.242 nan 8.270 nan 0.000 0.424 197 N N -0.263 118.410 118.700 -0.045 0.000 2.142 197 N HA -0.133 4.626 4.740 0.031 0.000 0.186 197 N C 1.516 176.901 175.510 -0.209 0.000 1.023 197 N CA 0.866 53.854 53.050 -0.103 0.000 0.852 197 N CB -0.369 38.050 38.487 -0.114 0.000 0.998 197 N HN 0.220 nan 8.380 nan 0.000 0.424 198 L N 1.453 122.568 121.223 -0.179 0.000 1.970 198 L HA -0.113 4.245 4.340 0.031 0.000 0.212 198 L C 2.379 179.186 176.870 -0.106 0.000 1.071 198 L CA 1.615 56.357 54.840 -0.164 0.000 0.751 198 L CB -1.017 40.982 42.059 -0.100 0.000 0.889 198 L HN 0.181 nan 8.230 nan 0.000 0.432 199 M N -0.421 119.139 119.600 -0.066 0.000 2.065 199 M HA -0.299 4.199 4.480 0.031 0.000 0.259 199 M C 2.401 178.686 176.300 -0.025 0.000 1.071 199 M CA 2.513 57.793 55.300 -0.033 0.000 1.109 199 M CB -0.348 32.236 32.600 -0.026 0.000 1.313 199 M HN 0.376 nan 8.290 nan 0.000 0.408 200 R N 1.254 121.738 120.500 -0.027 0.000 2.139 200 R HA -0.168 4.191 4.340 0.031 0.000 0.243 200 R C 1.863 178.161 176.300 -0.003 0.000 1.145 200 R CA 2.391 58.490 56.100 -0.001 0.000 0.976 200 R CB -1.363 28.946 30.300 0.014 0.000 0.866 200 R HN 0.779 nan 8.270 nan 0.000 0.449 201 I N -1.279 119.265 120.570 -0.043 0.000 2.852 201 I HA 0.078 4.267 4.170 0.031 0.000 0.264 201 I C 1.572 177.676 176.117 -0.022 0.000 1.179 201 I CA 1.057 62.343 61.300 -0.023 0.000 1.480 201 I CB -0.391 37.567 38.000 -0.070 0.000 1.111 201 I HN 0.245 nan 8.210 nan 0.000 0.441 202 T N -0.096 114.433 114.554 -0.042 0.000 3.043 202 T HA 0.020 4.388 4.350 0.031 0.000 0.263 202 T C 1.888 176.566 174.700 -0.038 0.000 1.094 202 T CA 0.792 62.870 62.100 -0.036 0.000 1.127 202 T CB -0.757 68.091 68.868 -0.034 0.000 0.905 202 T HN 0.368 nan 8.240 nan 0.000 0.490 203 V N 1.373 121.271 119.914 -0.026 0.000 2.944 203 V HA -0.040 4.099 4.120 0.031 0.000 0.265 203 V C 2.108 178.109 176.094 -0.155 0.000 1.125 203 V CA 1.380 63.661 62.300 -0.031 0.000 1.145 203 V CB -1.411 30.438 31.823 0.043 0.000 0.725 203 V HN 0.620 nan 8.190 nan 0.000 0.510 204 V N -3.767 116.012 119.914 -0.225 0.000 3.432 204 V HA 0.660 4.799 4.120 0.031 0.000 0.298 204 V C 2.416 178.214 176.094 -0.493 0.000 1.464 204 V CA 0.446 62.404 62.300 -0.570 0.000 1.046 204 V CB -0.400 31.191 31.823 -0.386 0.000 0.887 204 V HN 0.430 nan 8.190 nan 0.000 0.441 205 A N 1.101 123.817 122.820 -0.173 0.000 1.940 205 A HA -0.295 4.044 4.320 0.031 0.000 0.221 205 A C 2.060 179.628 177.584 -0.027 0.000 1.190 205 A CA 2.618 54.657 52.037 0.004 0.000 0.647 205 A CB -0.624 18.370 19.000 -0.010 0.000 0.821 205 A HN 0.663 nan 8.150 nan 0.000 0.457 206 E N -1.454 118.673 120.200 -0.121 0.000 2.347 206 E HA -0.144 4.224 4.350 0.031 0.000 0.196 206 E C 1.607 178.203 176.600 -0.006 0.000 1.008 206 E CA 0.601 56.958 56.400 -0.071 0.000 0.852 206 E CB -0.221 29.486 29.700 0.013 0.000 0.783 206 E HN 0.879 nan 8.360 nan 0.000 0.505 207 H N -1.324 117.630 119.070 -0.193 0.000 2.421 207 H HA -0.155 4.419 4.556 0.031 0.000 0.298 207 H C 1.364 176.488 175.328 -0.339 0.000 1.087 207 H CA 0.974 56.857 56.048 -0.276 0.000 1.330 207 H CB 0.005 29.541 29.762 -0.376 0.000 1.388 207 H HN 0.289 nan 8.280 nan 0.000 0.526 208 Y N -0.399 119.859 120.300 -0.070 0.000 2.315 208 Y HA -0.150 4.418 4.550 0.031 0.000 0.288 208 Y C 2.301 178.118 175.900 -0.139 0.000 1.154 208 Y CA 0.524 58.523 58.100 -0.168 0.000 1.229 208 Y CB 0.149 38.429 38.460 -0.300 0.000 0.980 208 Y HN 0.058 nan 8.280 nan 0.000 0.540 209 V N -0.837 119.064 119.914 -0.021 0.000 3.596 209 V HA 0.263 4.401 4.120 0.031 0.000 0.289 209 V C 1.270 177.442 176.094 0.130 0.000 1.336 209 V CA 1.012 63.292 62.300 -0.035 0.000 1.137 209 V CB -0.190 31.447 31.823 -0.310 0.000 0.966 209 V HN 0.599 nan 8.190 nan 0.000 0.428 210 G N 0.063 108.900 108.800 0.062 0.000 2.141 210 G HA2 -0.186 3.793 3.960 0.031 0.000 0.231 210 G HA3 -0.186 3.793 3.960 0.031 0.000 0.231 210 G C 0.058 174.965 174.900 0.011 0.000 0.984 210 G CA 0.125 45.246 45.100 0.036 0.000 0.660 210 G HN 0.517 nan 8.290 nan 0.000 0.525 211 V N 1.608 121.550 119.914 0.047 0.000 2.357 211 V HA 0.381 4.519 4.120 0.031 0.000 0.284 211 V C -0.056 176.073 176.094 0.058 0.000 1.018 211 V CA -1.062 61.254 62.300 0.027 0.000 0.841 211 V CB 1.569 33.406 31.823 0.023 0.000 0.991 211 V HN 0.277 nan 8.190 nan 0.000 0.437 212 N N 5.066 123.757 118.700 -0.016 0.000 3.254 212 N HA 0.086 4.845 4.740 0.031 0.000 0.308 212 N C 0.088 175.670 175.510 0.120 0.000 1.281 212 N CA -0.121 52.825 53.050 -0.173 0.000 1.212 212 N CB -0.100 38.233 38.487 -0.258 0.000 1.478 212 N HN 0.818 nan 8.380 nan 0.000 0.548 213 N N -1.065 117.819 118.700 0.306 0.000 2.448 213 N HA 0.409 5.168 4.740 0.031 0.000 0.274 213 N C 0.751 176.499 175.510 0.397 0.000 1.239 213 N CA -0.643 52.656 53.050 0.415 0.000 0.982 213 N CB 0.242 38.838 38.487 0.181 0.000 1.199 213 N HN 0.057 nan 8.380 nan 0.000 0.576 214 G N -2.352 106.646 108.800 0.329 0.000 2.543 214 G HA2 0.434 4.412 3.960 0.031 0.000 0.290 214 G HA3 0.434 4.412 3.960 0.031 0.000 0.290 214 G C 0.565 175.477 174.900 0.021 0.000 1.310 214 G CA -0.501 44.628 45.100 0.048 0.000 1.025 214 G HN 0.651 nan 8.290 nan 0.000 0.502 215 G N -0.928 107.851 108.800 -0.034 0.000 3.284 215 G HA2 0.155 4.133 3.960 0.031 0.000 0.236 215 G HA3 0.155 4.133 3.960 0.031 0.000 0.236 215 G C 1.323 176.372 174.900 0.250 0.000 1.158 215 G CA 0.529 45.712 45.100 0.139 0.000 0.774 215 G HN 0.550 nan 8.290 nan 0.000 0.545 216 M N 0.830 120.599 119.600 0.280 0.000 2.147 216 M HA -0.226 4.272 4.480 0.031 0.000 0.253 216 M C 1.843 178.248 176.300 0.175 0.000 1.075 216 M CA 2.469 57.950 55.300 0.303 0.000 1.085 216 M CB -0.157 32.586 32.600 0.239 0.000 1.305 216 M HN 0.111 nan 8.290 nan 0.000 0.409 217 D N -0.046 120.435 120.400 0.134 0.000 2.106 217 D HA -0.206 4.453 4.640 0.031 0.000 0.191 217 D C 2.033 178.388 176.300 0.092 0.000 0.997 217 D CA 1.916 55.978 54.000 0.104 0.000 0.834 217 D CB -0.590 40.268 40.800 0.096 0.000 0.956 217 D HN 0.541 nan 8.370 nan 0.000 0.448 218 Q N 0.608 120.460 119.800 0.087 0.000 2.084 218 Q HA 0.035 4.393 4.340 0.031 0.000 0.202 218 Q C 2.183 178.218 176.000 0.057 0.000 0.978 218 Q CA 1.550 57.391 55.803 0.064 0.000 0.844 218 Q CB -0.536 28.229 28.738 0.045 0.000 0.898 218 Q HN 0.295 nan 8.270 nan 0.000 0.426 219 A N 0.844 123.709 122.820 0.075 0.000 1.883 219 A HA -0.171 4.168 4.320 0.031 0.000 0.217 219 A C 2.284 179.883 177.584 0.026 0.000 1.186 219 A CA 1.993 54.054 52.037 0.040 0.000 0.624 219 A CB -1.125 17.893 19.000 0.030 0.000 0.822 219 A HN 0.394 nan 8.150 nan 0.000 0.444 220 A N -1.135 121.714 122.820 0.048 0.000 1.873 220 A HA -0.070 4.268 4.320 0.031 0.000 0.215 220 A C 2.479 180.087 177.584 0.040 0.000 1.186 220 A CA 2.084 54.145 52.037 0.040 0.000 0.616 220 A CB -1.054 17.977 19.000 0.052 0.000 0.823 220 A HN 0.565 nan 8.150 nan 0.000 0.442 221 S N -0.686 115.046 115.700 0.053 0.000 2.370 221 S HA -0.144 4.345 4.470 0.031 0.000 0.226 221 S C 1.886 176.512 174.600 0.044 0.000 1.033 221 S CA 1.805 60.040 58.200 0.058 0.000 1.011 221 S CB -0.424 62.818 63.200 0.070 0.000 0.852 221 S HN 0.295 nan 8.310 nan 0.000 0.457 222 V N 0.304 120.236 119.914 0.030 0.000 2.346 222 V HA -0.099 4.039 4.120 0.031 0.000 0.244 222 V C 2.289 178.385 176.094 0.005 0.000 1.037 222 V CA 1.643 63.952 62.300 0.015 0.000 1.029 222 V CB -0.642 31.181 31.823 -0.001 0.000 0.663 222 V HN 0.627 nan 8.190 nan 0.000 0.454 223 C N 0.738 120.036 119.300 -0.004 0.000 2.697 223 C HA 0.402 4.880 4.460 0.031 0.000 0.267 223 C C 1.662 176.639 174.990 -0.022 0.000 1.278 223 C CA -0.700 58.306 59.018 -0.020 0.000 1.708 223 C CB -1.662 26.057 27.740 -0.035 0.000 1.860 223 C HN 0.556 nan 8.230 nan 0.000 0.589 224 G N 1.279 110.078 108.800 -0.002 0.000 2.474 224 G HA2 0.316 4.294 3.960 0.031 0.000 0.233 224 G HA3 0.316 4.294 3.960 0.031 0.000 0.233 224 G C -0.478 174.417 174.900 -0.009 0.000 1.278 224 G CA 0.251 45.352 45.100 0.000 0.000 0.861 224 G HN 0.616 nan 8.290 nan 0.000 0.567 225 E N 0.768 120.961 120.200 -0.011 0.000 2.290 225 E HA 0.126 4.495 4.350 0.031 0.000 0.274 225 E C -0.716 175.935 176.600 0.085 0.000 0.889 225 E CA -0.623 55.768 56.400 -0.014 0.000 0.760 225 E CB 2.339 31.928 29.700 -0.185 0.000 1.206 225 E HN 0.644 nan 8.360 nan 0.000 0.419 226 E N 1.877 122.132 120.200 0.092 0.000 2.652 226 E HA -0.137 4.231 4.350 0.031 0.000 0.255 226 E C -0.614 176.092 176.600 0.176 0.000 0.952 226 E CA 0.818 57.281 56.400 0.106 0.000 0.947 226 E CB 0.108 29.855 29.700 0.078 0.000 0.912 226 E HN 0.406 nan 8.360 nan 0.000 0.489 227 D N 1.316 121.763 120.400 0.078 0.000 3.076 227 D HA -0.189 4.469 4.640 0.031 0.000 0.218 227 D C -1.091 175.025 176.300 -0.307 0.000 1.156 227 D CA 1.148 55.127 54.000 -0.035 0.000 0.921 227 D CB -1.455 39.312 40.800 -0.054 0.000 1.113 227 D HN 0.476 nan 8.370 nan 0.000 0.418 228 H N -1.137 117.825 119.070 -0.180 0.000 2.690 228 H HA 0.776 5.351 4.556 0.032 0.000 0.368 228 H C 0.063 175.097 175.328 -0.490 0.000 1.150 228 H CA -0.002 55.824 56.048 -0.371 0.000 1.174 228 H CB 1.725 31.338 29.762 -0.249 0.000 1.684 228 H HN 0.086 nan 8.280 nan 0.000 0.538 229 A N 2.484 124.796 122.820 -0.847 0.000 2.281 229 A HA 0.765 5.104 4.320 0.031 0.000 0.329 229 A C -1.124 176.003 177.584 -0.763 0.000 1.122 229 A CA -0.572 50.938 52.037 -0.879 0.000 0.850 229 A CB 0.663 18.954 19.000 -1.182 0.000 1.207 229 A HN 0.560 nan 8.150 nan 0.000 0.495 230 L N -0.124 120.951 121.223 -0.245 0.000 2.354 230 L HA 0.449 4.808 4.340 0.031 0.000 0.264 230 L C -1.232 175.869 176.870 0.384 0.000 1.008 230 L CA -0.587 54.291 54.840 0.062 0.000 0.819 230 L CB 1.945 44.017 42.059 0.022 0.000 1.339 230 L HN 0.717 nan 8.230 nan 0.000 0.420 231 Y N 2.361 122.821 120.300 0.265 0.000 2.464 231 Y HA 0.616 5.184 4.550 0.030 0.000 0.326 231 Y C -0.914 174.990 175.900 0.008 0.000 0.969 231 Y CA -1.080 57.122 58.100 0.169 0.000 1.270 231 Y CB 1.071 39.602 38.460 0.118 0.000 1.103 231 Y HN 0.227 nan 8.280 nan 0.000 0.491 232 V N 6.356 126.080 119.914 -0.316 0.000 2.481 232 V HA 0.427 4.566 4.120 0.031 0.000 0.286 232 V C -0.461 175.101 176.094 -0.887 0.000 1.042 232 V CA -0.691 61.293 62.300 -0.526 0.000 0.928 232 V CB 1.490 33.065 31.823 -0.413 0.000 0.986 232 V HN 0.698 nan 8.190 nan 0.000 0.462 233 E N 2.487 122.135 120.200 -0.920 0.000 2.288 233 E HA 0.516 4.885 4.350 0.031 0.000 0.268 233 E C -0.734 175.331 176.600 -0.891 0.000 0.885 233 E CA -0.472 55.429 56.400 -0.831 0.000 0.767 233 E CB 2.168 31.531 29.700 -0.563 0.000 1.220 233 E HN 0.565 nan 8.360 nan 0.000 0.427 234 F N 0.343 120.205 119.950 -0.146 0.000 2.712 234 F HA 0.301 4.845 4.527 0.030 0.000 0.297 234 F C 0.662 176.404 175.800 -0.097 0.000 1.114 234 F CA -0.020 57.921 58.000 -0.099 0.000 1.305 234 F CB 0.796 39.751 39.000 -0.076 0.000 1.086 234 F HN 0.001 nan 8.300 nan 0.000 0.599 235 K N 0.122 120.536 120.400 0.023 0.000 2.508 235 K HA 0.308 4.647 4.320 0.031 0.000 0.260 235 K C -2.231 174.298 176.600 -0.119 0.000 0.949 235 K CA -1.592 54.680 56.287 -0.026 0.000 0.834 235 K CB 2.184 34.685 32.500 0.001 0.000 1.365 235 K HN -0.370 nan 8.250 nan 0.000 0.437 236 P HA -0.045 nan 4.420 nan 0.000 0.230 236 P C -0.460 176.814 177.300 -0.043 0.000 1.158 236 P CA 0.947 64.010 63.100 -0.060 0.000 0.769 236 P CB 0.582 32.244 31.700 -0.064 0.000 0.807 237 Q N -0.687 119.073 119.800 -0.066 0.000 2.359 237 Q HA 0.346 4.705 4.340 0.031 0.000 0.274 237 Q C -1.264 174.686 176.000 -0.085 0.000 1.074 237 Q CA -1.212 54.559 55.803 -0.055 0.000 0.810 237 Q CB 2.450 31.155 28.738 -0.054 0.000 1.342 237 Q HN -0.114 nan 8.270 nan 0.000 0.427 238 L N 3.296 124.487 121.223 -0.054 0.000 2.500 238 L HA 0.260 4.618 4.340 0.031 0.000 0.272 238 L C -0.886 175.901 176.870 -0.138 0.000 1.149 238 L CA 1.336 56.124 54.840 -0.087 0.000 0.897 238 L CB -0.134 41.922 42.059 -0.005 0.000 1.178 238 L HN 0.538 nan 8.230 nan 0.000 0.473 239 K N 3.894 124.151 120.400 -0.238 0.000 2.562 239 K HA 0.790 5.129 4.320 0.031 0.000 0.267 239 K C -1.934 174.516 176.600 -0.250 0.000 0.938 239 K CA -0.488 55.680 56.287 -0.197 0.000 0.840 239 K CB 1.758 34.155 32.500 -0.171 0.000 1.390 239 K HN 0.683 nan 8.250 nan 0.000 0.428 240 A N 1.882 124.608 122.820 -0.156 0.000 2.330 240 A HA 0.635 4.974 4.320 0.031 0.000 0.313 240 A C -1.156 176.404 177.584 -0.040 0.000 1.124 240 A CA -0.525 51.440 52.037 -0.120 0.000 0.774 240 A CB 1.561 20.506 19.000 -0.092 0.000 1.198 240 A HN 0.513 nan 8.150 nan 0.000 0.465 241 T N 5.251 119.829 114.554 0.040 0.000 2.847 241 T HA 0.595 4.964 4.350 0.031 0.000 0.291 241 T C -2.893 171.926 174.700 0.199 0.000 0.998 241 T CA -1.019 61.147 62.100 0.108 0.000 0.967 241 T CB 1.522 70.482 68.868 0.154 0.000 0.954 241 T HN 0.472 nan 8.240 nan 0.000 0.441 242 P HA 0.620 nan 4.420 nan 0.000 0.276 242 P C -0.991 176.456 177.300 0.245 0.000 1.244 242 P CA -0.566 62.569 63.100 0.058 0.000 0.801 242 P CB 0.452 32.075 31.700 -0.127 0.000 1.006 243 F N -2.064 117.959 119.950 0.122 0.000 2.713 243 F HA 0.656 5.202 4.527 0.032 0.000 0.311 243 F C -1.023 174.676 175.800 -0.168 0.000 1.141 243 F CA -1.321 56.705 58.000 0.043 0.000 0.939 243 F CB 1.337 40.313 39.000 -0.039 0.000 1.325 243 F HN -0.010 nan 8.300 nan 0.000 0.453 244 K N 1.194 121.537 120.400 -0.095 0.000 2.118 244 K HA 0.550 4.888 4.320 0.031 0.000 0.254 244 K C -1.091 175.387 176.600 -0.202 0.000 0.961 244 K CA -0.797 55.247 56.287 -0.404 0.000 0.876 244 K CB 1.445 33.773 32.500 -0.286 0.000 1.077 244 K HN 0.521 nan 8.250 nan 0.000 0.440 245 F N 1.902 121.838 119.950 -0.023 0.000 2.480 245 F HA 0.126 4.676 4.527 0.040 0.000 0.319 245 F C -1.363 174.378 175.800 -0.098 0.000 1.230 245 F CA -1.274 56.716 58.000 -0.017 0.000 1.285 245 F CB -0.199 38.730 39.000 -0.119 0.000 1.208 245 F HN 0.320 nan 8.300 nan 0.000 0.579 246 P HA 0.073 nan 4.420 nan 0.000 0.274 246 P C -1.206 176.020 177.300 -0.123 0.000 1.237 246 P CA -0.411 62.636 63.100 -0.088 0.000 0.793 246 P CB 0.514 32.105 31.700 -0.182 0.000 0.977 247 Q N 1.094 120.850 119.800 -0.073 0.000 2.303 247 Q HA 0.383 4.742 4.340 0.031 0.000 0.257 247 Q C -0.055 175.899 176.000 -0.076 0.000 0.941 247 Q CA -0.317 55.449 55.803 -0.061 0.000 0.931 247 Q CB 0.943 29.667 28.738 -0.023 0.000 1.215 247 Q HN 0.423 nan 8.270 nan 0.000 0.437 248 L N 1.630 122.800 121.223 -0.089 0.000 2.416 248 L HA 0.349 4.707 4.340 0.031 0.000 0.263 248 L C 1.393 178.265 176.870 0.002 0.000 1.065 248 L CA -0.481 54.327 54.840 -0.054 0.000 0.798 248 L CB 0.601 42.630 42.059 -0.050 0.000 1.267 248 L HN 0.510 nan 8.230 nan 0.000 0.467 249 K N -0.140 120.279 120.400 0.032 0.000 2.141 249 K HA 0.110 4.448 4.320 0.031 0.000 0.202 249 K C 1.072 177.660 176.600 -0.020 0.000 1.045 249 K CA 0.764 57.059 56.287 0.013 0.000 0.971 249 K CB 0.198 32.713 32.500 0.025 0.000 0.795 249 K HN 0.456 nan 8.250 nan 0.000 0.459 250 N N -0.031 118.646 118.700 -0.039 0.000 2.184 250 N HA 0.070 4.829 4.740 0.031 0.000 0.206 250 N C -0.451 174.766 175.510 -0.488 0.000 1.151 250 N CA 0.186 53.086 53.050 -0.250 0.000 0.878 250 N CB 0.801 39.077 38.487 -0.352 0.000 1.014 250 N HN 0.192 nan 8.380 nan 0.000 0.512 251 H N 0.189 119.284 119.070 0.042 0.000 2.977 251 H HA 0.341 4.913 4.556 0.027 0.000 0.350 251 H C -0.749 174.608 175.328 0.048 0.000 1.238 251 H CA -0.388 55.698 56.048 0.063 0.000 1.124 251 H CB 1.645 31.511 29.762 0.173 0.000 1.866 251 H HN -0.071 nan 8.280 nan 0.000 0.550 252 E N 1.153 121.479 120.200 0.210 0.000 2.171 252 E HA 0.332 4.701 4.350 0.031 0.000 0.271 252 E C -0.289 176.364 176.600 0.089 0.000 0.916 252 E CA -0.613 55.836 56.400 0.082 0.000 0.774 252 E CB 2.276 31.992 29.700 0.027 0.000 1.128 252 E HN 0.274 nan 8.360 nan 0.000 0.403 253 I N 2.991 123.501 120.570 -0.101 0.000 2.363 253 I HA 0.056 4.244 4.170 0.031 0.000 0.292 253 I C -0.289 175.584 176.117 -0.408 0.000 1.075 253 I CA 0.334 61.462 61.300 -0.286 0.000 1.333 253 I CB 0.428 38.054 38.000 -0.624 0.000 1.415 253 I HN 0.358 nan 8.210 nan 0.000 0.502 254 S N 6.314 121.792 115.700 -0.371 0.000 2.542 254 S HA 0.647 5.136 4.470 0.031 0.000 0.293 254 S C -0.761 173.550 174.600 -0.481 0.000 1.089 254 S CA -0.648 57.363 58.200 -0.316 0.000 0.961 254 S CB 1.711 64.848 63.200 -0.105 0.000 1.062 254 S HN 0.269 nan 8.310 nan 0.000 0.483 255 F N 1.084 121.039 119.950 0.009 0.000 2.477 255 F HA 0.529 5.070 4.527 0.023 0.000 0.335 255 F C -0.327 175.534 175.800 0.101 0.000 1.130 255 F CA -0.837 57.204 58.000 0.068 0.000 0.948 255 F CB 1.587 40.625 39.000 0.063 0.000 1.154 255 F HN 0.222 nan 8.300 nan 0.000 0.439 256 V N 5.259 125.363 119.914 0.316 0.000 2.435 256 V HA 0.447 4.586 4.120 0.031 0.000 0.290 256 V C -0.026 176.262 176.094 0.323 0.000 1.030 256 V CA -0.741 61.715 62.300 0.261 0.000 0.881 256 V CB 1.890 33.827 31.823 0.191 0.000 0.983 256 V HN 0.529 nan 8.190 nan 0.000 0.445 257 I N 3.717 124.425 120.570 0.229 0.000 2.412 257 I HA 0.735 4.924 4.170 0.031 0.000 0.296 257 I C 0.227 176.458 176.117 0.190 0.000 0.987 257 I CA -0.328 61.092 61.300 0.201 0.000 1.180 257 I CB 1.812 39.878 38.000 0.110 0.000 1.340 257 I HN 0.682 nan 8.210 nan 0.000 0.455 258 A N 5.274 128.234 122.820 0.235 0.000 2.375 258 A HA 0.448 4.787 4.320 0.031 0.000 0.291 258 A C -0.714 176.998 177.584 0.213 0.000 1.160 258 A CA -0.648 51.532 52.037 0.237 0.000 0.747 258 A CB 0.698 19.849 19.000 0.252 0.000 1.170 258 A HN 0.651 nan 8.150 nan 0.000 0.458 259 N N 1.759 120.585 118.700 0.209 0.000 2.513 259 N HA 0.090 4.849 4.740 0.031 0.000 0.268 259 N C 1.430 177.112 175.510 0.288 0.000 1.180 259 N CA 0.843 54.004 53.050 0.184 0.000 0.948 259 N CB 1.333 39.889 38.487 0.114 0.000 1.083 259 N HN 0.675 nan 8.380 nan 0.000 0.455 260 T N 0.995 115.668 114.554 0.199 0.000 3.023 260 T HA 0.057 4.425 4.350 0.031 0.000 0.266 260 T C 1.302 176.242 174.700 0.400 0.000 1.093 260 T CA 0.313 62.565 62.100 0.253 0.000 1.129 260 T CB -0.144 68.831 68.868 0.178 0.000 0.899 260 T HN 0.633 nan 8.240 nan 0.000 0.491 261 L N -1.036 120.328 121.223 0.236 0.000 4.800 261 L HA -0.118 4.241 4.340 0.031 0.000 0.412 261 L C -0.401 176.564 176.870 0.160 0.000 1.063 261 L CA -0.264 54.640 54.840 0.108 0.000 1.114 261 L CB -2.192 39.760 42.059 -0.178 0.000 2.089 261 L HN 0.247 nan 8.230 nan 0.000 0.686 262 V N 1.505 121.546 119.914 0.212 0.000 2.333 262 V HA 0.247 4.386 4.120 0.031 0.000 0.274 262 V C 0.823 177.011 176.094 0.157 0.000 1.028 262 V CA -0.401 62.020 62.300 0.202 0.000 0.851 262 V CB 1.607 33.561 31.823 0.218 0.000 1.000 262 V HN 0.069 nan 8.190 nan 0.000 0.456 263 V N 4.764 124.757 119.914 0.132 0.000 2.485 263 V HA 0.124 4.263 4.120 0.031 0.000 0.287 263 V C 0.720 176.899 176.094 0.141 0.000 1.022 263 V CA 0.633 63.003 62.300 0.116 0.000 1.067 263 V CB 1.253 33.132 31.823 0.093 0.000 0.967 263 V HN 0.873 nan 8.190 nan 0.000 0.479 264 S N 5.519 121.310 115.700 0.153 0.000 2.718 264 S HA 0.316 4.804 4.470 0.031 0.000 0.294 264 S C -0.477 174.232 174.600 0.181 0.000 1.157 264 S CA -0.791 57.525 58.200 0.193 0.000 1.121 264 S CB 0.264 63.617 63.200 0.255 0.000 1.015 264 S HN 0.829 nan 8.310 nan 0.000 0.479 265 N N 4.260 123.062 118.700 0.171 0.000 2.469 265 N HA 0.192 4.951 4.740 0.031 0.000 0.253 265 N C 1.096 176.725 175.510 0.199 0.000 0.970 265 N CA -0.445 52.711 53.050 0.176 0.000 0.940 265 N CB 1.228 39.818 38.487 0.172 0.000 1.128 265 N HN 0.796 nan 8.380 nan 0.000 0.503 266 K N 3.173 123.693 120.400 0.201 0.000 2.211 266 K HA -0.175 4.164 4.320 0.031 0.000 0.204 266 K C 1.507 178.197 176.600 0.150 0.000 1.047 266 K CA 1.036 57.425 56.287 0.170 0.000 0.935 266 K CB -0.271 32.277 32.500 0.081 0.000 0.728 266 K HN 0.453 nan 8.250 nan 0.000 0.452 267 F N 2.429 122.427 119.950 0.079 0.000 2.098 267 F HA -0.042 4.503 4.527 0.030 0.000 0.294 267 F C 2.033 177.868 175.800 0.058 0.000 1.107 267 F CA 1.377 59.425 58.000 0.081 0.000 1.234 267 F CB 0.010 39.098 39.000 0.147 0.000 1.002 267 F HN 0.008 nan 8.300 nan 0.000 0.472 268 E N -0.549 119.843 120.200 0.320 0.000 2.097 268 E HA -0.238 4.131 4.350 0.031 0.000 0.196 268 E C 1.610 178.187 176.600 -0.038 0.000 1.000 268 E CA 1.946 58.449 56.400 0.171 0.000 0.804 268 E CB -0.307 29.525 29.700 0.220 0.000 0.740 268 E HN 0.521 nan 8.360 nan 0.000 0.454 269 T N -2.754 111.763 114.554 -0.062 0.000 3.134 269 T HA 0.488 4.857 4.350 0.031 0.000 0.260 269 T C 1.548 176.131 174.700 -0.195 0.000 1.027 269 T CA 0.241 62.253 62.100 -0.147 0.000 0.913 269 T CB 0.727 69.474 68.868 -0.203 0.000 1.046 269 T HN 0.127 nan 8.240 nan 0.000 0.553 270 A N 3.288 126.005 122.820 -0.171 0.000 1.927 270 A HA -0.032 4.307 4.320 0.031 0.000 0.220 270 A C 0.171 177.681 177.584 -0.124 0.000 1.185 270 A CA 1.590 53.553 52.037 -0.122 0.000 0.639 270 A CB -1.636 17.260 19.000 -0.173 0.000 0.820 270 A HN 0.510 nan 8.150 nan 0.000 0.451 271 P HA -0.084 nan 4.420 nan 0.000 0.219 271 P C 1.376 178.632 177.300 -0.074 0.000 1.150 271 P CA 2.111 65.154 63.100 -0.096 0.000 0.814 271 P CB -0.282 31.364 31.700 -0.090 0.000 0.787 272 T N -6.460 108.020 114.554 -0.124 0.000 2.990 272 T HA 0.233 4.602 4.350 0.031 0.000 0.250 272 T C 1.262 175.820 174.700 -0.237 0.000 1.041 272 T CA 0.064 62.090 62.100 -0.124 0.000 1.010 272 T CB -0.395 68.404 68.868 -0.114 0.000 1.003 272 T HN 0.076 nan 8.240 nan 0.000 0.499 273 N N -0.602 117.886 118.700 -0.354 0.000 2.528 273 N HA 0.251 5.010 4.740 0.031 0.000 0.208 273 N C 0.997 176.310 175.510 -0.328 0.000 1.218 273 N CA -0.265 52.382 53.050 -0.672 0.000 1.112 273 N CB -0.024 37.566 38.487 -1.494 0.000 1.423 273 N HN 0.037 nan 8.380 nan 0.000 0.497 274 Y N 2.550 122.674 120.300 -0.295 0.000 1.977 274 Y HA -0.279 4.289 4.550 0.030 0.000 0.264 274 Y C 2.080 177.962 175.900 -0.031 0.000 1.167 274 Y CA 1.985 60.123 58.100 0.063 0.000 1.102 274 Y CB -0.383 38.158 38.460 0.135 0.000 0.948 274 Y HN 0.188 nan 8.280 nan 0.000 0.489 275 N N 0.198 118.953 118.700 0.092 0.000 2.289 275 N HA -0.165 4.593 4.740 0.031 0.000 0.184 275 N C 1.747 177.181 175.510 -0.128 0.000 1.016 275 N CA 1.261 54.292 53.050 -0.032 0.000 0.872 275 N CB -0.598 37.876 38.487 -0.021 0.000 0.973 275 N HN 0.427 nan 8.380 nan 0.000 0.433 276 L N 1.369 122.513 121.223 -0.132 0.000 2.093 276 L HA -0.046 4.313 4.340 0.031 0.000 0.208 276 L C 2.103 178.845 176.870 -0.214 0.000 1.085 276 L CA 1.467 56.212 54.840 -0.160 0.000 0.755 276 L CB -0.170 41.810 42.059 -0.131 0.000 0.904 276 L HN -0.042 nan 8.230 nan 0.000 0.435 277 R N -0.568 119.795 120.500 -0.228 0.000 2.081 277 R HA -0.078 4.281 4.340 0.031 0.000 0.235 277 R C 2.224 178.413 176.300 -0.185 0.000 1.131 277 R CA 1.599 57.546 56.100 -0.256 0.000 0.960 277 R CB -1.268 28.910 30.300 -0.203 0.000 0.856 277 R HN 0.346 nan 8.270 nan 0.000 0.436 278 V N 0.854 120.566 119.914 -0.336 0.000 2.392 278 V HA -0.202 3.936 4.120 0.031 0.000 0.249 278 V C 2.567 178.576 176.094 -0.143 0.000 1.059 278 V CA 1.559 63.653 62.300 -0.344 0.000 1.051 278 V CB -0.490 31.049 31.823 -0.474 0.000 0.658 278 V HN 0.037 nan 8.190 nan 0.000 0.455 279 V N -0.199 119.627 119.914 -0.146 0.000 2.323 279 V HA -0.221 3.918 4.120 0.031 0.000 0.244 279 V C 2.399 178.437 176.094 -0.093 0.000 1.041 279 V CA 1.980 64.224 62.300 -0.093 0.000 1.025 279 V CB -0.582 31.163 31.823 -0.130 0.000 0.656 279 V HN 0.606 nan 8.190 nan 0.000 0.451 280 E N 0.470 120.571 120.200 -0.166 0.000 2.085 280 E HA -0.214 4.155 4.350 0.031 0.000 0.194 280 E C 2.220 178.755 176.600 -0.108 0.000 0.994 280 E CA 1.872 58.164 56.400 -0.180 0.000 0.801 280 E CB -0.385 29.178 29.700 -0.229 0.000 0.743 280 E HN 0.641 nan 8.360 nan 0.000 0.453 281 V N -0.683 119.214 119.914 -0.028 0.000 2.407 281 V HA -0.214 3.925 4.120 0.031 0.000 0.248 281 V C 2.079 178.193 176.094 0.032 0.000 1.055 281 V CA 2.102 64.422 62.300 0.035 0.000 1.049 281 V CB -1.042 30.878 31.823 0.161 0.000 0.662 281 V HN 0.131 nan 8.190 nan 0.000 0.455 282 T N 0.415 115.002 114.554 0.055 0.000 2.777 282 T HA -0.133 4.236 4.350 0.031 0.000 0.266 282 T C 1.964 176.739 174.700 0.124 0.000 1.040 282 T CA 2.175 64.340 62.100 0.108 0.000 1.141 282 T CB -0.612 68.336 68.868 0.133 0.000 0.868 282 T HN 0.638 nan 8.240 nan 0.000 0.444 283 T N 2.153 116.743 114.554 0.061 0.000 2.652 283 T HA -0.072 4.296 4.350 0.031 0.000 0.267 283 T C 2.423 177.031 174.700 -0.154 0.000 1.039 283 T CA 1.297 63.358 62.100 -0.065 0.000 1.153 283 T CB -0.660 68.125 68.868 -0.139 0.000 0.863 283 T HN 0.432 nan 8.240 nan 0.000 0.428 284 A N 1.624 124.339 122.820 -0.174 0.000 1.892 284 A HA 0.008 4.347 4.320 0.031 0.000 0.218 284 A C 2.677 180.175 177.584 -0.145 0.000 1.188 284 A CA 2.181 54.094 52.037 -0.208 0.000 0.631 284 A CB -1.294 17.605 19.000 -0.168 0.000 0.822 284 A HN 0.533 nan 8.150 nan 0.000 0.447 285 A N 0.105 122.890 122.820 -0.057 0.000 1.948 285 A HA -0.246 4.093 4.320 0.031 0.000 0.220 285 A C 1.941 179.513 177.584 -0.019 0.000 1.177 285 A CA 1.827 53.859 52.037 -0.007 0.000 0.636 285 A CB -0.703 18.358 19.000 0.101 0.000 0.815 285 A HN 0.672 nan 8.150 nan 0.000 0.449 286 N N -0.310 118.402 118.700 0.020 0.000 2.354 286 N HA -0.057 4.701 4.740 0.031 0.000 0.179 286 N C 1.663 177.162 175.510 -0.018 0.000 1.021 286 N CA 1.318 54.403 53.050 0.059 0.000 0.887 286 N CB -0.073 38.528 38.487 0.190 0.000 0.974 286 N HN 0.318 nan 8.380 nan 0.000 0.437 287 V N 1.997 121.845 119.914 -0.111 0.000 2.379 287 V HA -0.128 4.011 4.120 0.031 0.000 0.245 287 V C 2.460 178.502 176.094 -0.087 0.000 1.044 287 V CA 1.007 63.238 62.300 -0.114 0.000 1.036 287 V CB -0.396 31.301 31.823 -0.211 0.000 0.664 287 V HN 0.203 nan 8.190 nan 0.000 0.453 288 L N 0.011 121.109 121.223 -0.208 0.000 2.042 288 L HA -0.215 4.144 4.340 0.031 0.000 0.210 288 L C 2.740 179.503 176.870 -0.177 0.000 1.076 288 L CA 1.659 56.281 54.840 -0.364 0.000 0.749 288 L CB -0.775 40.630 42.059 -1.090 0.000 0.893 288 L HN 0.384 nan 8.230 nan 0.000 0.432 289 A N 0.016 122.773 122.820 -0.104 0.000 1.859 289 A HA -0.269 4.070 4.320 0.031 0.000 0.217 289 A C 2.521 180.286 177.584 0.301 0.000 1.198 289 A CA 2.172 54.390 52.037 0.302 0.000 0.629 289 A CB -0.966 18.201 19.000 0.278 0.000 0.830 289 A HN 0.431 nan 8.150 nan 0.000 0.446 290 A N -1.237 121.681 122.820 0.163 0.000 1.865 290 A HA -0.129 4.209 4.320 0.031 0.000 0.217 290 A C 2.306 179.951 177.584 0.103 0.000 1.191 290 A CA 2.495 54.606 52.037 0.124 0.000 0.623 290 A CB -1.543 17.498 19.000 0.069 0.000 0.826 290 A HN 0.459 nan 8.150 nan 0.000 0.444 291 T N -1.254 113.337 114.554 0.062 0.000 2.778 291 T HA -0.187 4.182 4.350 0.031 0.000 0.269 291 T C 1.123 175.712 174.700 -0.185 0.000 1.050 291 T CA 1.881 63.936 62.100 -0.075 0.000 1.137 291 T CB -0.439 68.365 68.868 -0.106 0.000 0.860 291 T HN 0.622 nan 8.240 nan 0.000 0.468 292 Y N 0.148 120.589 120.300 0.234 0.000 2.524 292 Y HA 0.420 4.988 4.550 0.031 0.000 0.266 292 Y C 1.633 177.759 175.900 0.376 0.000 1.180 292 Y CA -0.438 57.868 58.100 0.345 0.000 1.244 292 Y CB 0.088 38.890 38.460 0.570 0.000 1.125 292 Y HN 0.250 nan 8.280 nan 0.000 0.524 293 G N 1.257 110.262 108.800 0.342 0.000 2.273 293 G HA2 -0.225 3.754 3.960 0.031 0.000 0.280 293 G HA3 -0.225 3.754 3.960 0.031 0.000 0.280 293 G C -0.142 174.936 174.900 0.297 0.000 1.047 293 G CA 0.396 45.663 45.100 0.279 0.000 0.869 293 G HN 0.395 nan 8.290 nan 0.000 0.502 294 V N -3.717 116.401 119.914 0.340 0.000 3.046 294 V HA 0.910 5.049 4.120 0.031 0.000 0.316 294 V C 0.263 176.497 176.094 0.234 0.000 1.104 294 V CA -1.416 61.053 62.300 0.282 0.000 1.006 294 V CB 2.410 34.433 31.823 0.334 0.000 1.058 294 V HN 0.509 nan 8.190 nan 0.000 0.440 295 V N 2.678 122.700 119.914 0.180 0.000 2.384 295 V HA 0.351 4.490 4.120 0.031 0.000 0.287 295 V C 0.996 177.187 176.094 0.162 0.000 1.020 295 V CA -0.330 62.062 62.300 0.153 0.000 0.850 295 V CB 1.279 33.166 31.823 0.107 0.000 0.987 295 V HN 0.893 nan 8.190 nan 0.000 0.436 296 L N 4.289 125.617 121.223 0.174 0.000 2.017 296 L HA 0.011 4.369 4.340 0.031 0.000 0.208 296 L C 0.585 177.530 176.870 0.125 0.000 1.073 296 L CA 1.673 56.617 54.840 0.174 0.000 0.745 296 L CB -0.024 42.151 42.059 0.193 0.000 0.894 296 L HN 0.442 nan 8.230 nan 0.000 0.432 307 K N 0.033 120.375 120.400 -0.097 0.000 2.258 307 K HA 0.749 5.087 4.320 0.031 0.000 0.236 307 K C 0.750 177.363 176.600 0.021 0.000 1.008 307 K CA -0.770 55.485 56.287 -0.054 0.000 0.869 307 K CB 1.321 33.752 32.500 -0.114 0.000 1.171 307 K HN 0.345 nan 8.250 nan 0.000 0.447 308 G N 0.326 109.171 108.800 0.076 0.000 2.599 308 G HA2 0.210 4.189 3.960 0.031 0.000 0.264 308 G HA3 0.210 4.189 3.960 0.031 0.000 0.264 308 G C -0.502 174.465 174.900 0.111 0.000 1.200 308 G CA -0.419 44.740 45.100 0.098 0.000 0.896 308 G HN 0.740 nan 8.290 nan 0.000 0.536 309 N N -1.243 117.523 118.700 0.109 0.000 2.741 309 N HA 0.293 5.051 4.740 0.031 0.000 0.310 309 N C 1.116 176.727 175.510 0.169 0.000 1.295 309 N CA -0.991 52.123 53.050 0.107 0.000 0.893 309 N CB 0.858 39.375 38.487 0.051 0.000 1.247 309 N HN 0.227 nan 8.380 nan 0.000 0.596 310 L N -1.188 120.130 121.223 0.158 0.000 2.265 310 L HA 0.023 4.381 4.340 0.031 0.000 0.215 310 L C 2.526 179.676 176.870 0.468 0.000 1.117 310 L CA 0.937 55.942 54.840 0.275 0.000 0.782 310 L CB -0.335 41.739 42.059 0.025 0.000 0.914 310 L HN 0.630 nan 8.230 nan 0.000 0.441 311 R N 0.130 120.756 120.500 0.209 0.000 2.119 311 R HA -0.121 4.238 4.340 0.031 0.000 0.222 311 R C 1.679 178.109 176.300 0.217 0.000 1.088 311 R CA 1.119 57.316 56.100 0.163 0.000 0.984 311 R CB 0.015 30.055 30.300 -0.433 0.000 0.884 311 R HN 0.339 nan 8.270 nan 0.000 0.447 312 D N 0.462 120.971 120.400 0.182 0.000 2.092 312 D HA -0.223 4.436 4.640 0.031 0.000 0.193 312 D C 1.611 178.069 176.300 0.264 0.000 0.994 312 D CA 1.207 55.322 54.000 0.191 0.000 0.828 312 D CB -0.465 40.431 40.800 0.160 0.000 0.963 312 D HN 0.183 nan 8.370 nan 0.000 0.450 313 F N 1.369 121.445 119.950 0.209 0.000 2.126 313 F HA -0.179 4.366 4.527 0.031 0.000 0.299 313 F C 2.431 178.384 175.800 0.254 0.000 1.096 313 F CA 1.238 59.380 58.000 0.235 0.000 1.255 313 F CB -0.381 38.764 39.000 0.241 0.000 0.997 313 F HN -0.155 nan 8.300 nan 0.000 0.479 314 M N 0.178 119.893 119.600 0.192 0.000 2.108 314 M HA -0.268 4.230 4.480 0.031 0.000 0.261 314 M C 1.830 178.161 176.300 0.051 0.000 1.066 314 M CA 1.998 57.312 55.300 0.022 0.000 1.107 314 M CB -0.392 32.256 32.600 0.080 0.000 1.356 314 M HN 0.136 nan 8.290 nan 0.000 0.406 315 N N -0.129 118.636 118.700 0.108 0.000 2.142 315 N HA -0.107 4.651 4.740 0.031 0.000 0.186 315 N C 1.701 177.285 175.510 0.123 0.000 1.023 315 N CA 1.482 54.605 53.050 0.121 0.000 0.852 315 N CB -0.534 38.033 38.487 0.134 0.000 0.998 315 N HN 0.261 nan 8.380 nan 0.000 0.424 316 V N 1.023 120.996 119.914 0.098 0.000 2.261 316 V HA -0.251 3.888 4.120 0.031 0.000 0.246 316 V C 2.089 178.212 176.094 0.048 0.000 1.047 316 V CA 1.479 63.827 62.300 0.079 0.000 1.015 316 V CB -0.785 31.113 31.823 0.125 0.000 0.642 316 V HN 0.240 nan 8.190 nan 0.000 0.446 317 Y N 0.022 120.225 120.300 -0.161 0.000 2.081 317 Y HA -0.357 4.212 4.550 0.031 0.000 0.280 317 Y C 2.437 178.343 175.900 0.010 0.000 1.163 317 Y CA 2.136 60.152 58.100 -0.140 0.000 1.135 317 Y CB -0.627 37.473 38.460 -0.601 0.000 0.970 317 Y HN 0.274 nan 8.280 nan 0.000 0.498 318 Y N -0.317 119.983 120.300 -0.001 0.000 2.207 318 Y HA -0.247 4.322 4.550 0.031 0.000 0.287 318 Y C 2.618 178.508 175.900 -0.016 0.000 1.156 318 Y CA 1.486 59.570 58.100 -0.026 0.000 1.182 318 Y CB -0.942 37.483 38.460 -0.059 0.000 0.979 318 Y HN 0.293 nan 8.280 nan 0.000 0.521 319 A N -0.032 122.850 122.820 0.104 0.000 1.873 319 A HA -0.212 4.127 4.320 0.031 0.000 0.215 319 A C 2.213 179.743 177.584 -0.092 0.000 1.186 319 A CA 1.947 54.002 52.037 0.029 0.000 0.616 319 A CB -0.604 18.409 19.000 0.023 0.000 0.823 319 A HN 0.406 nan 8.150 nan 0.000 0.442 320 R N -1.896 118.474 120.500 -0.217 0.000 2.090 320 R HA -0.054 4.305 4.340 0.031 0.000 0.228 320 R C 1.402 177.298 176.300 -0.674 0.000 1.110 320 R CA 1.765 57.579 56.100 -0.476 0.000 0.973 320 R CB -0.442 29.487 30.300 -0.617 0.000 0.869 320 R HN 0.591 nan 8.270 nan 0.000 0.440 321 Y N -2.136 117.972 120.300 -0.320 0.000 2.462 321 Y HA 0.234 4.802 4.550 0.031 0.000 0.253 321 Y C 1.428 177.093 175.900 -0.391 0.000 1.095 321 Y CA 0.189 58.052 58.100 -0.395 0.000 1.283 321 Y CB 0.568 38.635 38.460 -0.655 0.000 1.138 321 Y HN 0.180 nan 8.280 nan 0.000 0.522 322 H N -0.937 117.994 119.070 -0.232 0.000 2.755 322 H HA 0.149 4.724 4.556 0.031 0.000 0.273 322 H C 0.189 175.490 175.328 -0.045 0.000 1.055 322 H CA 0.053 56.017 56.048 -0.140 0.000 1.191 322 H CB 0.547 30.205 29.762 -0.175 0.000 1.536 322 H HN 0.207 nan 8.280 nan 0.000 0.529 323 N N 0.615 119.329 118.700 0.023 0.000 2.800 323 N HA -0.164 4.595 4.740 0.031 0.000 0.250 323 N C -0.494 175.052 175.510 0.060 0.000 1.078 323 N CA 0.515 53.573 53.050 0.013 0.000 0.804 323 N CB -1.710 36.773 38.487 -0.007 0.000 1.135 323 N HN 0.343 nan 8.380 nan 0.000 0.565 324 I N 1.367 122.006 120.570 0.116 0.000 2.294 324 I HA 0.044 4.232 4.170 0.031 0.000 0.295 324 I C 1.711 177.881 176.117 0.089 0.000 1.098 324 I CA -0.138 61.235 61.300 0.122 0.000 1.277 324 I CB 0.915 39.023 38.000 0.179 0.000 1.434 324 I HN 0.111 nan 8.210 nan 0.000 0.498 325 S N 2.384 118.121 115.700 0.061 0.000 2.353 325 S HA -0.112 4.377 4.470 0.031 0.000 0.222 325 S C 1.017 175.650 174.600 0.054 0.000 1.035 325 S CA 0.800 59.027 58.200 0.045 0.000 1.025 325 S CB -0.705 62.515 63.200 0.034 0.000 0.902 325 S HN 0.608 nan 8.310 nan 0.000 0.440 326 T N 4.915 119.505 114.554 0.060 0.000 2.814 326 T HA 0.446 4.815 4.350 0.031 0.000 0.297 326 T C -2.511 172.241 174.700 0.086 0.000 0.956 326 T CA -1.077 61.060 62.100 0.062 0.000 1.123 326 T CB 0.799 69.700 68.868 0.055 0.000 0.902 326 T HN 0.247 nan 8.240 nan 0.000 0.528 327 P HA 0.090 nan 4.420 nan 0.000 0.271 327 P C -0.360 177.036 177.300 0.161 0.000 1.216 327 P CA -0.804 62.367 63.100 0.119 0.000 0.776 327 P CB 0.410 32.166 31.700 0.093 0.000 0.881 328 W N 4.094 125.389 121.300 -0.009 0.000 2.435 328 W HA -0.076 4.602 4.660 0.030 0.000 0.337 328 W C 1.079 177.604 176.519 0.009 0.000 1.300 328 W CA 0.556 57.893 57.345 -0.014 0.000 1.298 328 W CB -0.225 29.223 29.460 -0.020 0.000 1.217 328 W HN 0.408 nan 8.180 nan 0.000 0.565 329 N N 3.698 122.124 118.700 -0.456 0.000 2.254 329 N HA 0.112 4.870 4.740 0.031 0.000 0.190 329 N C 1.259 176.277 175.510 -0.820 0.000 1.107 329 N CA 0.777 53.531 53.050 -0.493 0.000 0.869 329 N CB 0.271 38.633 38.487 -0.208 0.000 0.983 329 N HN 0.830 nan 8.380 nan 0.000 0.487 330 G N 0.430 108.178 108.800 -1.753 0.000 2.213 330 G HA2 -0.281 3.698 3.960 0.031 0.000 0.226 330 G HA3 -0.281 3.698 3.960 0.031 0.000 0.226 330 G C -0.359 174.334 174.900 -0.346 0.000 0.992 330 G CA 0.040 44.399 45.100 -1.234 0.000 0.632 330 G HN 0.662 nan 8.290 nan 0.000 0.511 331 D N 0.761 121.057 120.400 -0.173 0.000 2.586 331 D HA 0.184 4.843 4.640 0.031 0.000 0.234 331 D C 1.840 178.337 176.300 0.328 0.000 1.132 331 D CA 0.539 54.609 54.000 0.116 0.000 0.860 331 D CB 0.032 40.919 40.800 0.145 0.000 1.159 331 D HN 0.298 nan 8.370 nan 0.000 0.490 332 I N 3.028 123.708 120.570 0.183 0.000 2.099 332 I HA -0.288 3.900 4.170 0.031 0.000 0.239 332 I C 2.090 178.296 176.117 0.148 0.000 1.066 332 I CA 1.377 62.785 61.300 0.180 0.000 1.324 332 I CB -0.291 37.740 38.000 0.052 0.000 1.037 332 I HN 0.598 nan 8.210 nan 0.000 0.401 333 E N 0.636 120.889 120.200 0.089 0.000 2.110 333 E HA -0.198 4.171 4.350 0.031 0.000 0.193 333 E C 2.214 178.832 176.600 0.030 0.000 0.988 333 E CA 1.802 58.228 56.400 0.043 0.000 0.804 333 E CB -0.103 29.611 29.700 0.024 0.000 0.745 333 E HN 0.554 nan 8.360 nan 0.000 0.458 334 S N 0.072 115.822 115.700 0.084 0.000 2.406 334 S HA -0.046 4.443 4.470 0.031 0.000 0.228 334 S C 2.181 176.670 174.600 -0.186 0.000 1.020 334 S CA 0.717 58.920 58.200 0.005 0.000 0.965 334 S CB -0.520 62.737 63.200 0.095 0.000 0.798 334 S HN 0.330 nan 8.310 nan 0.000 0.488 335 G N 2.494 111.248 108.800 -0.076 0.000 2.421 335 G HA2 -0.061 3.918 3.960 0.031 0.000 0.216 335 G HA3 -0.061 3.918 3.960 0.031 0.000 0.216 335 G C 1.401 176.072 174.900 -0.382 0.000 1.171 335 G CA 0.918 45.712 45.100 -0.510 0.000 0.775 335 G HN 0.528 nan 8.290 nan 0.000 0.543 336 I N 0.567 121.042 120.570 -0.158 0.000 2.264 336 I HA -0.195 3.993 4.170 0.031 0.000 0.248 336 I C 2.651 178.656 176.117 -0.186 0.000 1.111 336 I CA 1.541 62.752 61.300 -0.149 0.000 1.382 336 I CB -0.312 37.642 38.000 -0.076 0.000 1.060 336 I HN 0.348 nan 8.210 nan 0.000 0.418 337 E N 1.440 121.531 120.200 -0.183 0.000 2.028 337 E HA -0.217 4.152 4.350 0.031 0.000 0.191 337 E C 2.410 178.873 176.600 -0.228 0.000 0.988 337 E CA 1.142 57.445 56.400 -0.161 0.000 0.799 337 E CB 0.071 29.704 29.700 -0.112 0.000 0.755 337 E HN 0.420 nan 8.360 nan 0.000 0.447 338 R N 0.188 120.445 120.500 -0.405 0.000 2.081 338 R HA -0.109 4.250 4.340 0.031 0.000 0.235 338 R C 2.656 178.692 176.300 -0.440 0.000 1.131 338 R CA 1.142 56.926 56.100 -0.527 0.000 0.960 338 R CB -0.389 29.325 30.300 -0.978 0.000 0.856 338 R HN 0.257 nan 8.270 nan 0.000 0.436 339 L N 0.102 121.042 121.223 -0.471 0.000 2.046 339 L HA -0.186 4.172 4.340 0.031 0.000 0.208 339 L C 2.404 179.068 176.870 -0.344 0.000 1.077 339 L CA 1.391 55.963 54.840 -0.448 0.000 0.747 339 L CB -0.637 41.187 42.059 -0.391 0.000 0.896 339 L HN 0.233 nan 8.230 nan 0.000 0.432 340 T N -0.751 113.653 114.554 -0.249 0.000 2.684 340 T HA -0.232 4.136 4.350 0.031 0.000 0.267 340 T C 1.936 176.535 174.700 -0.169 0.000 1.036 340 T CA 1.509 63.506 62.100 -0.172 0.000 1.148 340 T CB -0.110 68.683 68.868 -0.126 0.000 0.863 340 T HN 0.053 nan 8.240 nan 0.000 0.436 341 K N 1.201 121.498 120.400 -0.170 0.000 2.020 341 K HA -0.037 4.302 4.320 0.031 0.000 0.212 341 K C 2.169 178.616 176.600 -0.255 0.000 1.050 341 K CA 1.496 57.691 56.287 -0.154 0.000 0.929 341 K CB -0.671 31.785 32.500 -0.073 0.000 0.714 341 K HN 0.147 nan 8.250 nan 0.000 0.443 342 M N 0.396 119.765 119.600 -0.385 0.000 2.106 342 M HA -0.163 4.335 4.480 0.031 0.000 0.259 342 M C 2.195 178.269 176.300 -0.376 0.000 1.068 342 M CA 1.500 56.456 55.300 -0.575 0.000 1.100 342 M CB -1.038 30.827 32.600 -1.226 0.000 1.351 342 M HN 0.152 nan 8.290 nan 0.000 0.404 343 L N -1.084 119.978 121.223 -0.269 0.000 2.131 343 L HA -0.191 4.167 4.340 0.031 0.000 0.210 343 L C 2.435 179.281 176.870 -0.041 0.000 1.092 343 L CA 0.626 55.408 54.840 -0.097 0.000 0.759 343 L CB -0.655 41.356 42.059 -0.080 0.000 0.903 343 L HN 0.075 nan 8.230 nan 0.000 0.435 344 V N -0.053 119.814 119.914 -0.078 0.000 2.307 344 V HA -0.265 3.874 4.120 0.031 0.000 0.245 344 V C 2.353 178.439 176.094 -0.013 0.000 1.045 344 V CA 1.534 63.813 62.300 -0.035 0.000 1.024 344 V CB -0.335 31.458 31.823 -0.051 0.000 0.651 344 V HN 0.340 nan 8.190 nan 0.000 0.449 345 L N -0.441 120.728 121.223 -0.090 0.000 2.083 345 L HA -0.156 4.202 4.340 0.031 0.000 0.209 345 L C 2.501 179.426 176.870 0.091 0.000 1.083 345 L CA 1.089 55.895 54.840 -0.057 0.000 0.752 345 L CB -0.768 41.098 42.059 -0.322 0.000 0.899 345 L HN 0.205 nan 8.230 nan 0.000 0.433 346 V N -0.225 119.746 119.914 0.095 0.000 2.287 346 V HA -0.292 3.847 4.120 0.031 0.000 0.248 346 V C 2.529 178.787 176.094 0.273 0.000 1.053 346 V CA 1.903 64.321 62.300 0.198 0.000 1.027 346 V CB -0.427 31.513 31.823 0.194 0.000 0.646 346 V HN 0.376 nan 8.190 nan 0.000 0.447 347 E N 0.161 120.497 120.200 0.226 0.000 2.058 347 E HA -0.237 4.132 4.350 0.031 0.000 0.194 347 E C 2.260 178.936 176.600 0.127 0.000 0.997 347 E CA 1.645 58.175 56.400 0.216 0.000 0.801 347 E CB -0.266 29.517 29.700 0.138 0.000 0.746 347 E HN 0.632 nan 8.360 nan 0.000 0.450 348 E N -1.000 119.274 120.200 0.122 0.000 2.150 348 E HA -0.114 4.255 4.350 0.031 0.000 0.193 348 E C 1.350 178.021 176.600 0.118 0.000 0.985 348 E CA 1.316 57.783 56.400 0.112 0.000 0.814 348 E CB 0.120 29.915 29.700 0.157 0.000 0.752 348 E HN 0.302 nan 8.360 nan 0.000 0.466 349 S N -1.591 114.212 115.700 0.171 0.000 2.604 349 S HA 0.178 4.666 4.470 0.031 0.000 0.235 349 S C 1.494 176.189 174.600 0.159 0.000 1.043 349 S CA -0.413 57.876 58.200 0.149 0.000 0.997 349 S CB 0.338 63.673 63.200 0.226 0.000 0.956 349 S HN 0.113 nan 8.310 nan 0.000 0.535 350 L N 0.798 122.144 121.223 0.205 0.000 2.642 350 L HA 0.481 4.840 4.340 0.031 0.000 0.233 350 L C 2.655 179.584 176.870 0.100 0.000 1.077 350 L CA 0.679 55.693 54.840 0.290 0.000 0.879 350 L CB -0.264 42.047 42.059 0.420 0.000 1.151 350 L HN 0.390 nan 8.230 nan 0.000 0.495 351 A N 1.410 124.145 122.820 -0.142 0.000 2.084 351 A HA -0.217 4.122 4.320 0.031 0.000 0.221 351 A C 1.830 179.188 177.584 -0.377 0.000 1.161 351 A CA 1.795 53.455 52.037 -0.629 0.000 0.653 351 A CB -0.778 17.935 19.000 -0.479 0.000 0.802 351 A HN 0.686 nan 8.150 nan 0.000 0.457 352 N N -0.272 118.306 118.700 -0.203 0.000 2.381 352 N HA -0.112 4.647 4.740 0.031 0.000 0.182 352 N C 0.562 175.935 175.510 -0.229 0.000 1.025 352 N CA 0.850 53.789 53.050 -0.185 0.000 0.888 352 N CB -0.116 38.285 38.487 -0.142 0.000 0.965 352 N HN 0.424 nan 8.380 nan 0.000 0.438 353 K N 0.972 121.213 120.400 -0.266 0.000 2.965 353 K HA 0.226 4.565 4.320 0.031 0.000 0.216 353 K C 0.588 177.107 176.600 -0.136 0.000 1.164 353 K CA -0.213 55.873 56.287 -0.335 0.000 1.153 353 K CB 0.537 32.504 32.500 -0.889 0.000 1.045 353 K HN 0.107 nan 8.250 nan 0.000 0.460 354 K N 0.617 120.926 120.400 -0.151 0.000 2.286 354 K HA -0.216 4.123 4.320 0.031 0.000 0.203 354 K C 1.334 177.952 176.600 0.030 0.000 1.045 354 K CA 1.359 57.611 56.287 -0.058 0.000 0.935 354 K CB 0.108 32.542 32.500 -0.110 0.000 0.737 354 K HN 0.361 nan 8.250 nan 0.000 0.460 355 Q N -0.243 119.542 119.800 -0.024 0.000 2.389 355 Q HA 0.078 4.436 4.340 0.031 0.000 0.204 355 Q C 0.530 176.552 176.000 0.036 0.000 0.944 355 Q CA 0.382 56.185 55.803 -0.000 0.000 0.908 355 Q CB 0.577 29.295 28.738 -0.033 0.000 1.002 355 Q HN 0.341 nan 8.270 nan 0.000 0.493 356 G N 0.373 109.210 108.800 0.060 0.000 2.465 356 G HA2 0.012 3.991 3.960 0.031 0.000 0.681 356 G HA3 0.012 3.991 3.960 0.031 0.000 0.681 356 G C -1.493 173.485 174.900 0.129 0.000 1.340 356 G CA -1.114 44.081 45.100 0.158 0.000 0.884 356 G HN 0.042 nan 8.290 nan 0.000 0.650 357 F N 1.547 121.478 119.950 -0.033 0.000 2.443 357 F HA 0.753 5.299 4.527 0.031 0.000 0.335 357 F C 1.160 176.938 175.800 -0.036 0.000 1.104 357 F CA -0.318 57.647 58.000 -0.058 0.000 1.013 357 F CB 2.112 41.047 39.000 -0.108 0.000 1.136 357 F HN 0.756 nan 8.300 nan 0.000 0.470 358 S N 0.992 116.771 115.700 0.132 0.000 2.693 358 S HA 0.379 4.868 4.470 0.031 0.000 0.276 358 S C 0.810 175.451 174.600 0.068 0.000 1.192 358 S CA -0.764 57.499 58.200 0.105 0.000 0.994 358 S CB 1.320 64.545 63.200 0.041 0.000 1.012 358 S HN 0.363 nan 8.310 nan 0.000 0.550 359 V N 1.291 121.259 119.914 0.089 0.000 2.720 359 V HA -0.125 4.013 4.120 0.031 0.000 0.256 359 V C 2.003 178.064 176.094 -0.055 0.000 1.082 359 V CA 1.926 64.234 62.300 0.013 0.000 1.101 359 V CB -1.023 30.898 31.823 0.164 0.000 0.693 359 V HN 0.818 nan 8.190 nan 0.000 0.479 360 D N 0.152 120.545 120.400 -0.011 0.000 2.103 360 D HA -0.134 4.525 4.640 0.031 0.000 0.199 360 D C 1.833 178.109 176.300 -0.039 0.000 0.978 360 D CA 1.400 55.387 54.000 -0.020 0.000 0.829 360 D CB -0.156 40.638 40.800 -0.011 0.000 0.981 360 D HN 0.409 nan 8.370 nan 0.000 0.464 361 D N 0.811 121.196 120.400 -0.026 0.000 2.123 361 D HA -0.115 4.543 4.640 0.031 0.000 0.196 361 D C 2.347 178.666 176.300 0.033 0.000 0.992 361 D CA 0.551 54.545 54.000 -0.010 0.000 0.833 361 D CB -0.233 40.557 40.800 -0.017 0.000 0.954 361 D HN 0.089 nan 8.370 nan 0.000 0.455 362 V N 1.631 121.517 119.914 -0.046 0.000 2.270 362 V HA -0.207 3.931 4.120 0.031 0.000 0.245 362 V C 2.634 178.572 176.094 -0.261 0.000 1.043 362 V CA 1.777 63.934 62.300 -0.237 0.000 1.014 362 V CB -0.918 30.492 31.823 -0.689 0.000 0.645 362 V HN 0.175 nan 8.190 nan 0.000 0.447 363 A N -0.166 122.503 122.820 -0.252 0.000 1.908 363 A HA -0.330 4.008 4.320 0.031 0.000 0.218 363 A C 2.303 179.858 177.584 -0.049 0.000 1.181 363 A CA 2.291 54.260 52.037 -0.114 0.000 0.627 363 A CB -0.639 18.348 19.000 -0.022 0.000 0.818 363 A HN 0.658 nan 8.150 nan 0.000 0.445 364 Q N -0.142 119.633 119.800 -0.042 0.000 2.084 364 Q HA -0.156 4.203 4.340 0.031 0.000 0.202 364 Q C 2.031 178.023 176.000 -0.014 0.000 0.978 364 Q CA 1.997 57.788 55.803 -0.019 0.000 0.844 364 Q CB -0.312 28.414 28.738 -0.020 0.000 0.898 364 Q HN 0.522 nan 8.270 nan 0.000 0.426 365 S N 0.811 116.501 115.700 -0.017 0.000 2.400 365 S HA -0.050 4.438 4.470 0.031 0.000 0.232 365 S C 1.735 176.327 174.600 -0.012 0.000 1.025 365 S CA 1.063 59.262 58.200 -0.002 0.000 0.993 365 S CB -0.052 63.169 63.200 0.034 0.000 0.808 365 S HN 0.412 nan 8.310 nan 0.000 0.478 366 L N 0.602 121.807 121.223 -0.030 0.000 2.607 366 L HA 0.277 4.636 4.340 0.031 0.000 0.228 366 L C -0.153 176.738 176.870 0.036 0.000 1.123 366 L CA -0.179 54.663 54.840 0.004 0.000 0.890 366 L CB -0.436 41.618 42.059 -0.008 0.000 1.103 366 L HN 0.172 nan 8.230 nan 0.000 0.468 367 N N -0.181 118.535 118.700 0.026 0.000 2.663 367 N HA -0.173 4.586 4.740 0.031 0.000 0.263 367 N C -0.822 174.719 175.510 0.053 0.000 1.109 367 N CA 0.363 53.435 53.050 0.036 0.000 0.701 367 N CB -1.172 37.339 38.487 0.040 0.000 0.879 367 N HN 0.270 nan 8.380 nan 0.000 0.550 368 C N -0.017 119.313 119.300 0.050 0.000 3.213 368 C HA 0.847 5.325 4.460 0.031 0.000 0.319 368 C C -0.059 174.972 174.990 0.068 0.000 1.386 368 C CA -0.066 58.998 59.018 0.077 0.000 1.494 368 C CB 1.590 29.385 27.740 0.092 0.000 1.905 368 C HN 0.649 nan 8.230 nan 0.000 0.456 369 S N 0.970 116.723 115.700 0.088 0.000 2.593 369 S HA 0.478 4.966 4.470 0.031 0.000 0.297 369 S C 0.653 175.323 174.600 0.117 0.000 1.112 369 S CA -0.624 57.624 58.200 0.079 0.000 1.043 369 S CB 1.164 64.404 63.200 0.067 0.000 1.054 369 S HN 0.764 nan 8.310 nan 0.000 0.516 370 R N 0.811 121.374 120.500 0.105 0.000 2.117 370 R HA -0.154 4.205 4.340 0.031 0.000 0.243 370 R C 1.534 177.936 176.300 0.171 0.000 1.143 370 R CA 2.055 58.245 56.100 0.151 0.000 0.968 370 R CB -0.441 29.924 30.300 0.108 0.000 0.863 370 R HN 0.742 nan 8.270 nan 0.000 0.444 371 E N 0.529 120.796 120.200 0.111 0.000 2.110 371 E HA -0.169 4.199 4.350 0.031 0.000 0.193 371 E C 1.770 178.426 176.600 0.094 0.000 0.988 371 E CA 1.178 57.629 56.400 0.085 0.000 0.804 371 E CB -0.039 29.693 29.700 0.054 0.000 0.745 371 E HN 0.371 nan 8.360 nan 0.000 0.458 372 E N -0.016 120.257 120.200 0.122 0.000 2.031 372 E HA -0.150 4.219 4.350 0.031 0.000 0.193 372 E C 1.681 178.401 176.600 0.199 0.000 0.994 372 E CA 0.999 57.481 56.400 0.137 0.000 0.800 372 E CB -0.283 29.505 29.700 0.145 0.000 0.752 372 E HN 0.216 nan 8.360 nan 0.000 0.447 373 F N 1.659 121.680 119.950 0.119 0.000 2.087 373 F HA -0.300 4.245 4.527 0.031 0.000 0.299 373 F C 2.115 178.045 175.800 0.217 0.000 1.100 373 F CA 1.988 60.075 58.000 0.145 0.000 1.226 373 F CB -0.804 38.208 39.000 0.021 0.000 0.983 373 F HN -0.048 nan 8.300 nan 0.000 0.479 374 T N 1.136 115.660 114.554 -0.050 0.000 2.643 374 T HA -0.189 4.179 4.350 0.031 0.000 0.264 374 T C 1.999 176.625 174.700 -0.123 0.000 1.045 374 T CA 1.889 63.904 62.100 -0.141 0.000 1.155 374 T CB -0.329 68.546 68.868 0.012 0.000 0.863 374 T HN 0.276 nan 8.240 nan 0.000 0.420 375 R N 1.215 121.688 120.500 -0.045 0.000 2.094 375 R HA -0.118 4.240 4.340 0.031 0.000 0.239 375 R C 2.285 178.523 176.300 -0.104 0.000 1.137 375 R CA 1.834 57.901 56.100 -0.056 0.000 0.943 375 R CB -0.515 29.770 30.300 -0.025 0.000 0.850 375 R HN 0.338 nan 8.270 nan 0.000 0.433 376 D N -0.763 119.587 120.400 -0.084 0.000 2.178 376 D HA -0.144 4.514 4.640 0.031 0.000 0.201 376 D C 1.391 177.431 176.300 -0.432 0.000 0.980 376 D CA 1.464 55.343 54.000 -0.202 0.000 0.842 376 D CB -0.004 40.736 40.800 -0.099 0.000 0.948 376 D HN 0.332 nan 8.370 nan 0.000 0.472 377 Y N -0.918 119.137 120.300 -0.408 0.000 2.638 377 Y HA 0.312 4.881 4.550 0.031 0.000 0.275 377 Y C 1.815 177.489 175.900 -0.377 0.000 1.122 377 Y CA -0.003 57.822 58.100 -0.458 0.000 1.266 377 Y CB 0.133 38.169 38.460 -0.707 0.000 1.317 377 Y HN -0.172 nan 8.280 nan 0.000 0.501 378 L N 0.324 121.397 121.223 -0.251 0.000 2.629 378 L HA 0.140 4.499 4.340 0.031 0.000 0.230 378 L C 1.521 178.349 176.870 -0.070 0.000 1.151 378 L CA 1.021 55.796 54.840 -0.108 0.000 0.924 378 L CB -0.326 41.703 42.059 -0.050 0.000 1.137 378 L HN 0.307 nan 8.230 nan 0.000 0.457 379 T N -6.147 108.348 114.554 -0.097 0.000 2.964 379 T HA -0.062 4.307 4.350 0.031 0.000 0.249 379 T C 1.857 176.509 174.700 -0.080 0.000 1.000 379 T CA 0.687 62.742 62.100 -0.075 0.000 0.992 379 T CB -0.164 68.664 68.868 -0.067 0.000 1.087 379 T HN 0.243 nan 8.240 nan 0.000 0.489 380 T N 1.714 116.206 114.554 -0.103 0.000 2.849 380 T HA 0.030 4.399 4.350 0.031 0.000 0.270 380 T C 0.889 175.529 174.700 -0.099 0.000 1.066 380 T CA 0.916 62.951 62.100 -0.108 0.000 1.130 380 T CB -0.661 68.125 68.868 -0.136 0.000 0.864 380 T HN 0.733 nan 8.240 nan 0.000 0.481 381 S N 0.807 116.452 115.700 -0.092 0.000 2.626 381 S HA 0.540 5.029 4.470 0.031 0.000 0.275 381 S C -3.461 171.103 174.600 -0.061 0.000 1.175 381 S CA -1.708 56.442 58.200 -0.084 0.000 0.982 381 S CB 1.869 65.008 63.200 -0.101 0.000 1.093 381 S HN 0.092 nan 8.310 nan 0.000 0.472 382 P HA 0.409 nan 4.420 nan 0.000 0.271 382 P C -0.740 176.551 177.300 -0.014 0.000 1.226 382 P CA -0.226 62.856 63.100 -0.030 0.000 0.765 382 P CB 0.934 32.609 31.700 -0.042 0.000 0.835 383 V N 5.093 125.037 119.914 0.050 0.000 3.040 383 V HA 0.506 4.644 4.120 0.031 0.000 0.312 383 V C -0.106 176.096 176.094 0.181 0.000 1.115 383 V CA -0.948 61.411 62.300 0.098 0.000 0.998 383 V CB 2.617 34.502 31.823 0.104 0.000 1.042 383 V HN 0.464 nan 8.190 nan 0.000 0.433 384 R N 3.867 124.469 120.500 0.170 0.000 2.534 384 R HA 0.799 5.157 4.340 0.031 0.000 0.301 384 R C -1.420 175.027 176.300 0.244 0.000 0.961 384 R CA -0.300 55.865 56.100 0.108 0.000 0.871 384 R CB 1.862 32.160 30.300 -0.004 0.000 1.170 384 R HN 0.649 nan 8.270 nan 0.000 0.446 385 F N -1.524 118.415 119.950 -0.018 0.000 2.842 385 F HA 0.274 4.820 4.527 0.031 0.000 0.319 385 F C -0.127 175.674 175.800 0.002 0.000 1.159 385 F CA -1.025 56.968 58.000 -0.012 0.000 0.902 385 F CB 1.144 40.138 39.000 -0.009 0.000 1.311 385 F HN 0.171 nan 8.300 nan 0.000 0.453 386 Q N 0.391 120.283 119.800 0.153 0.000 2.462 386 Q HA 0.350 4.708 4.340 0.031 0.000 0.224 386 Q C -0.455 175.695 176.000 0.251 0.000 0.911 386 Q CA 0.773 56.617 55.803 0.068 0.000 0.925 386 Q CB 1.836 30.598 28.738 0.041 0.000 1.063 386 Q HN 0.509 nan 8.270 nan 0.000 0.572 387 V N 0.540 120.659 119.914 0.343 0.000 3.102 387 V HA 0.456 4.594 4.120 0.031 0.000 0.312 387 V C -1.578 174.625 176.094 0.181 0.000 1.135 387 V CA -0.784 61.681 62.300 0.276 0.000 1.022 387 V CB 2.352 34.264 31.823 0.148 0.000 1.056 387 V HN 0.106 nan 8.190 nan 0.000 0.436 388 L N 3.966 125.231 121.223 0.069 0.000 2.305 388 L HA 0.559 4.918 4.340 0.031 0.000 0.284 388 L C -0.173 176.693 176.870 -0.007 0.000 1.013 388 L CA -0.548 54.224 54.840 -0.112 0.000 0.819 388 L CB 1.627 43.527 42.059 -0.265 0.000 1.227 388 L HN 0.556 nan 8.230 nan 0.000 0.417 389 K N 4.025 124.398 120.400 -0.046 0.000 2.758 389 K HA 0.232 4.571 4.320 0.031 0.000 0.250 389 K C 1.136 177.724 176.600 -0.020 0.000 1.268 389 K CA -0.138 56.166 56.287 0.028 0.000 1.228 389 K CB 0.188 32.695 32.500 0.012 0.000 1.715 389 K HN 0.593 nan 8.250 nan 0.000 0.334 390 L N 0.040 121.205 121.223 -0.095 0.000 2.081 390 L HA -0.281 4.077 4.340 0.031 0.000 0.212 390 L C 2.119 178.976 176.870 -0.021 0.000 1.080 390 L CA 1.577 56.286 54.840 -0.218 0.000 0.754 390 L CB -0.634 41.016 42.059 -0.682 0.000 0.893 390 L HN 0.538 nan 8.230 nan 0.000 0.433 391 Y N 1.248 121.577 120.300 0.048 0.000 2.114 391 Y HA -0.311 4.258 4.550 0.032 0.000 0.284 391 Y C 2.751 178.691 175.900 0.066 0.000 1.143 391 Y CA 1.745 59.898 58.100 0.089 0.000 1.135 391 Y CB -0.045 38.502 38.460 0.145 0.000 0.980 391 Y HN 0.105 nan 8.280 nan 0.000 0.499 392 Q N 0.209 119.901 119.800 -0.181 0.000 2.079 392 Q HA -0.131 4.227 4.340 0.031 0.000 0.200 392 Q C 2.115 178.061 176.000 -0.091 0.000 0.974 392 Q CA 1.431 57.095 55.803 -0.231 0.000 0.840 392 Q CB -0.189 28.524 28.738 -0.040 0.000 0.898 392 Q HN 0.218 nan 8.270 nan 0.000 0.430 393 R N 0.518 120.985 120.500 -0.055 0.000 2.073 393 R HA 0.026 4.384 4.340 0.031 0.000 0.234 393 R C 2.123 178.490 176.300 0.111 0.000 1.134 393 R CA 1.521 57.660 56.100 0.063 0.000 0.952 393 R CB -1.370 28.885 30.300 -0.075 0.000 0.850 393 R HN 0.343 nan 8.270 nan 0.000 0.433 394 A N 0.880 123.676 122.820 -0.039 0.000 1.902 394 A HA -0.188 4.151 4.320 0.031 0.000 0.217 394 A C 2.156 179.672 177.584 -0.112 0.000 1.181 394 A CA 1.766 53.733 52.037 -0.116 0.000 0.623 394 A CB -0.427 18.528 19.000 -0.074 0.000 0.818 394 A HN 0.314 nan 8.150 nan 0.000 0.443 395 K N -1.054 119.272 120.400 -0.123 0.000 2.063 395 K HA -0.278 4.061 4.320 0.031 0.000 0.208 395 K C 2.014 178.571 176.600 -0.072 0.000 1.048 395 K CA 2.007 58.212 56.287 -0.137 0.000 0.928 395 K CB -0.345 31.918 32.500 -0.395 0.000 0.713 395 K HN 0.720 nan 8.250 nan 0.000 0.442 396 H N -0.145 118.861 119.070 -0.106 0.000 2.321 396 H HA -0.076 4.498 4.556 0.030 0.000 0.300 396 H C 1.761 176.990 175.328 -0.165 0.000 1.087 396 H CA 2.055 58.045 56.048 -0.097 0.000 1.319 396 H CB -0.225 29.534 29.762 -0.004 0.000 1.379 396 H HN 0.011 nan 8.280 nan 0.000 0.501 397 V N 0.331 120.135 119.914 -0.183 0.000 2.252 397 V HA -0.332 3.806 4.120 0.031 0.000 0.249 397 V C 2.171 178.010 176.094 -0.424 0.000 1.056 397 V CA 2.188 64.292 62.300 -0.326 0.000 1.022 397 V CB -0.835 30.856 31.823 -0.219 0.000 0.641 397 V HN 0.477 nan 8.190 nan 0.000 0.445 398 Y N 1.193 121.325 120.300 -0.279 0.000 2.145 398 Y HA -0.232 4.336 4.550 0.031 0.000 0.286 398 Y C 2.964 178.642 175.900 -0.370 0.000 1.145 398 Y CA 1.614 59.500 58.100 -0.358 0.000 1.148 398 Y CB -1.174 37.149 38.460 -0.229 0.000 0.981 398 Y HN 0.443 nan 8.280 nan 0.000 0.507 399 S N -0.418 115.187 115.700 -0.159 0.000 2.387 399 S HA -0.197 4.292 4.470 0.031 0.000 0.226 399 S C 1.968 176.403 174.600 -0.275 0.000 1.026 399 S CA 1.281 59.366 58.200 -0.192 0.000 0.972 399 S CB -0.398 62.711 63.200 -0.152 0.000 0.814 399 S HN 0.449 nan 8.310 nan 0.000 0.477 400 E N 1.553 121.485 120.200 -0.446 0.000 2.110 400 E HA -0.058 4.311 4.350 0.031 0.000 0.193 400 E C 2.072 178.509 176.600 -0.273 0.000 0.988 400 E CA 1.480 57.621 56.400 -0.430 0.000 0.804 400 E CB -0.587 28.692 29.700 -0.702 0.000 0.745 400 E HN 0.565 nan 8.360 nan 0.000 0.458 401 S N 0.158 115.671 115.700 -0.313 0.000 2.359 401 S HA -0.166 4.322 4.470 0.031 0.000 0.224 401 S C 1.699 176.204 174.600 -0.159 0.000 1.035 401 S CA 1.111 59.154 58.200 -0.262 0.000 1.018 401 S CB -0.461 62.343 63.200 -0.660 0.000 0.876 401 S HN 0.288 nan 8.310 nan 0.000 0.448 402 L N 2.250 123.354 121.223 -0.199 0.000 2.012 402 L HA -0.092 4.267 4.340 0.031 0.000 0.210 402 L C 2.232 179.044 176.870 -0.098 0.000 1.073 402 L CA 1.734 56.488 54.840 -0.142 0.000 0.748 402 L CB -0.644 41.322 42.059 -0.154 0.000 0.891 402 L HN 0.177 nan 8.230 nan 0.000 0.431 403 R N -1.423 119.006 120.500 -0.119 0.000 2.139 403 R HA -0.154 4.205 4.340 0.031 0.000 0.243 403 R C 2.104 178.358 176.300 -0.077 0.000 1.145 403 R CA 1.479 57.512 56.100 -0.111 0.000 0.976 403 R CB -0.640 29.577 30.300 -0.139 0.000 0.866 403 R HN 0.324 nan 8.270 nan 0.000 0.449 404 V N 1.588 121.485 119.914 -0.029 0.000 2.307 404 V HA -0.223 3.915 4.120 0.031 0.000 0.245 404 V C 2.347 178.471 176.094 0.049 0.000 1.045 404 V CA 1.637 63.966 62.300 0.048 0.000 1.024 404 V CB -0.441 31.464 31.823 0.136 0.000 0.651 404 V HN 0.286 nan 8.190 nan 0.000 0.449 405 L N -0.319 120.938 121.223 0.056 0.000 2.043 405 L HA -0.253 4.106 4.340 0.031 0.000 0.212 405 L C 2.576 179.437 176.870 -0.016 0.000 1.075 405 L CA 1.884 56.746 54.840 0.038 0.000 0.752 405 L CB -0.803 41.306 42.059 0.083 0.000 0.891 405 L HN 0.350 nan 8.230 nan 0.000 0.432 406 K N 0.179 120.567 120.400 -0.020 0.000 2.057 406 K HA -0.076 4.262 4.320 0.031 0.000 0.206 406 K C 2.314 178.923 176.600 0.015 0.000 1.050 406 K CA 1.223 57.499 56.287 -0.018 0.000 0.935 406 K CB -0.264 32.214 32.500 -0.037 0.000 0.715 406 K HN 0.260 nan 8.250 nan 0.000 0.439 407 A N 1.351 124.174 122.820 0.005 0.000 1.902 407 A HA -0.133 4.206 4.320 0.031 0.000 0.217 407 A C 2.429 180.131 177.584 0.197 0.000 1.181 407 A CA 1.404 53.511 52.037 0.117 0.000 0.623 407 A CB -0.797 18.219 19.000 0.027 0.000 0.818 407 A HN 0.070 nan 8.150 nan 0.000 0.443 408 V N -0.112 119.807 119.914 0.008 0.000 2.332 408 V HA -0.306 3.832 4.120 0.031 0.000 0.248 408 V C 2.545 178.552 176.094 -0.144 0.000 1.055 408 V CA 2.551 64.735 62.300 -0.193 0.000 1.038 408 V CB -0.605 30.984 31.823 -0.390 0.000 0.651 408 V HN 0.598 nan 8.190 nan 0.000 0.450 409 K N -0.588 119.769 120.400 -0.071 0.000 2.009 409 K HA -0.174 4.165 4.320 0.031 0.000 0.210 409 K C 2.098 178.717 176.600 0.032 0.000 1.049 409 K CA 1.693 57.952 56.287 -0.048 0.000 0.929 409 K CB -0.346 32.134 32.500 -0.033 0.000 0.714 409 K HN 0.323 nan 8.250 nan 0.000 0.440 410 L N 0.354 121.682 121.223 0.175 0.000 1.978 410 L HA -0.273 4.086 4.340 0.031 0.000 0.218 410 L C 2.469 179.618 176.870 0.466 0.000 1.075 410 L CA 1.212 56.309 54.840 0.429 0.000 0.767 410 L CB -0.406 42.062 42.059 0.682 0.000 0.890 410 L HN 0.350 nan 8.230 nan 0.000 0.434 411 M N -1.356 118.460 119.600 0.361 0.000 2.530 411 M HA -0.152 4.347 4.480 0.031 0.000 0.261 411 M C 1.810 178.117 176.300 0.011 0.000 1.067 411 M CA 1.460 56.884 55.300 0.207 0.000 1.071 411 M CB -1.125 31.523 32.600 0.081 0.000 1.405 411 M HN 0.284 nan 8.290 nan 0.000 0.478 412 T N -0.577 113.960 114.554 -0.029 0.000 2.987 412 T HA 0.067 4.435 4.350 0.031 0.000 0.248 412 T C 0.844 175.505 174.700 -0.064 0.000 0.997 412 T CA 0.824 62.867 62.100 -0.095 0.000 1.013 412 T CB 0.688 69.442 68.868 -0.189 0.000 1.077 412 T HN 0.522 nan 8.240 nan 0.000 0.483 417 T N 1.206 115.885 114.554 0.208 0.000 2.755 417 T HA 0.211 4.579 4.350 0.031 0.000 0.251 417 T C 0.910 175.692 174.700 0.136 0.000 1.044 417 T CA 1.240 63.418 62.100 0.131 0.000 1.154 417 T CB 0.093 69.017 68.868 0.093 0.000 0.866 417 T HN 0.530 nan 8.240 nan 0.000 0.416 418 A N 1.312 124.218 122.820 0.143 0.000 2.306 418 A HA 0.431 4.770 4.320 0.031 0.000 0.314 418 A C 0.666 178.320 177.584 0.115 0.000 1.164 418 A CA -0.601 51.509 52.037 0.122 0.000 0.822 418 A CB 0.439 19.502 19.000 0.106 0.000 1.130 418 A HN 0.232 nan 8.150 nan 0.000 0.496 419 D N 0.740 121.209 120.400 0.116 0.000 2.133 419 D HA -0.178 4.480 4.640 0.031 0.000 0.195 419 D C 1.482 177.816 176.300 0.057 0.000 0.997 419 D CA 1.850 55.901 54.000 0.085 0.000 0.840 419 D CB -0.046 40.927 40.800 0.287 0.000 0.947 419 D HN 0.838 nan 8.370 nan 0.000 0.452 420 E N 0.130 120.390 120.200 0.101 0.000 2.267 420 E HA -0.186 4.182 4.350 0.031 0.000 0.197 420 E C 1.061 177.656 176.600 -0.007 0.000 0.998 420 E CA 0.765 57.193 56.400 0.045 0.000 0.830 420 E CB 0.159 29.889 29.700 0.049 0.000 0.751 420 E HN 0.203 nan 8.360 nan 0.000 0.491 421 D N -0.386 120.034 120.400 0.032 0.000 2.144 421 D HA -0.159 4.500 4.640 0.031 0.000 0.199 421 D C 1.450 177.721 176.300 -0.048 0.000 0.984 421 D CA 0.709 54.762 54.000 0.090 0.000 0.834 421 D CB -0.256 40.708 40.800 0.272 0.000 0.955 421 D HN 0.218 nan 8.370 nan 0.000 0.465 422 F N 0.080 119.666 119.950 -0.607 0.000 2.163 422 F HA -0.040 4.502 4.527 0.025 0.000 0.297 422 F C 1.917 177.362 175.800 -0.592 0.000 1.094 422 F CA 0.897 58.282 58.000 -1.026 0.000 1.290 422 F CB -0.468 37.542 39.000 -1.650 0.000 1.017 422 F HN -0.160 nan 8.300 nan 0.000 0.483 423 F N 1.288 120.917 119.950 -0.536 0.000 2.065 423 F HA -0.275 4.270 4.527 0.031 0.000 0.298 423 F C 2.480 177.979 175.800 -0.501 0.000 1.112 423 F CA 1.963 59.524 58.000 -0.731 0.000 1.212 423 F CB -0.633 37.574 39.000 -1.321 0.000 0.975 423 F HN -0.158 nan 8.300 nan 0.000 0.476 424 K N 0.038 120.332 120.400 -0.175 0.000 1.985 424 K HA -0.225 4.113 4.320 0.031 0.000 0.210 424 K C 2.067 178.661 176.600 -0.010 0.000 1.047 424 K CA 1.719 58.030 56.287 0.040 0.000 0.932 424 K CB -0.686 31.864 32.500 0.085 0.000 0.716 424 K HN 0.371 nan 8.250 nan 0.000 0.439 425 Q N -0.187 119.576 119.800 -0.060 0.000 2.077 425 Q HA -0.180 4.178 4.340 0.031 0.000 0.206 425 Q C 2.012 177.961 176.000 -0.086 0.000 0.989 425 Q CA 1.758 57.544 55.803 -0.028 0.000 0.853 425 Q CB -0.169 28.619 28.738 0.083 0.000 0.907 425 Q HN 0.222 nan 8.270 nan 0.000 0.418 426 F N -0.060 119.634 119.950 -0.426 0.000 2.163 426 F HA -0.020 4.525 4.527 0.029 0.000 0.297 426 F C 2.037 177.736 175.800 -0.168 0.000 1.094 426 F CA 1.432 59.200 58.000 -0.385 0.000 1.290 426 F CB -0.449 38.000 39.000 -0.917 0.000 1.017 426 F HN 0.070 nan 8.300 nan 0.000 0.483 427 G N -0.262 108.563 108.800 0.042 0.000 2.442 427 G HA2 -0.279 3.700 3.960 0.031 0.000 0.219 427 G HA3 -0.279 3.700 3.960 0.031 0.000 0.219 427 G C 1.821 176.734 174.900 0.023 0.000 1.141 427 G CA 0.793 45.964 45.100 0.117 0.000 0.763 427 G HN 0.549 nan 8.290 nan 0.000 0.554 428 A N 0.552 123.365 122.820 -0.012 0.000 1.902 428 A HA 0.093 4.431 4.320 0.031 0.000 0.217 428 A C 2.432 179.967 177.584 -0.082 0.000 1.181 428 A CA 1.262 53.282 52.037 -0.028 0.000 0.623 428 A CB -0.391 18.599 19.000 -0.018 0.000 0.818 428 A HN 0.362 nan 8.150 nan 0.000 0.443 429 L N -1.142 119.981 121.223 -0.166 0.000 2.083 429 L HA -0.225 4.133 4.340 0.031 0.000 0.209 429 L C 2.882 179.637 176.870 -0.192 0.000 1.083 429 L CA 1.518 56.227 54.840 -0.217 0.000 0.752 429 L CB -0.476 41.361 42.059 -0.370 0.000 0.899 429 L HN 0.436 nan 8.230 nan 0.000 0.433 430 M N -0.579 118.904 119.600 -0.195 0.000 2.086 430 M HA -0.198 4.301 4.480 0.031 0.000 0.261 430 M C 1.986 178.255 176.300 -0.051 0.000 1.067 430 M CA 1.593 56.832 55.300 -0.102 0.000 1.116 430 M CB -0.551 32.045 32.600 -0.006 0.000 1.348 430 M HN 0.286 nan 8.290 nan 0.000 0.407 431 N N 0.339 119.020 118.700 -0.031 0.000 2.166 431 N HA -0.140 4.618 4.740 0.031 0.000 0.186 431 N C 1.517 177.012 175.510 -0.024 0.000 1.019 431 N CA 1.218 54.259 53.050 -0.014 0.000 0.856 431 N CB -0.317 38.171 38.487 0.001 0.000 0.993 431 N HN 0.459 nan 8.380 nan 0.000 0.426 432 E N 0.187 120.362 120.200 -0.042 0.000 2.106 432 E HA -0.099 4.269 4.350 0.031 0.000 0.192 432 E C 1.812 178.391 176.600 -0.036 0.000 0.984 432 E CA 0.781 57.157 56.400 -0.041 0.000 0.806 432 E CB -0.020 29.643 29.700 -0.061 0.000 0.750 432 E HN 0.205 nan 8.360 nan 0.000 0.458 433 S N 0.613 116.282 115.700 -0.052 0.000 2.368 433 S HA -0.260 4.229 4.470 0.031 0.000 0.225 433 S C 2.044 176.646 174.600 0.004 0.000 1.030 433 S CA 1.796 59.975 58.200 -0.033 0.000 0.999 433 S CB -0.104 63.062 63.200 -0.056 0.000 0.844 433 S HN 0.149 nan 8.310 nan 0.000 0.459 434 Q N 1.352 121.144 119.800 -0.013 0.000 2.084 434 Q HA 0.100 4.459 4.340 0.031 0.000 0.202 434 Q C 2.074 178.072 176.000 -0.004 0.000 0.978 434 Q CA 2.123 57.918 55.803 -0.013 0.000 0.844 434 Q CB -1.016 27.710 28.738 -0.020 0.000 0.898 434 Q HN 0.570 nan 8.270 nan 0.000 0.426 435 A N -0.295 122.526 122.820 0.001 0.000 1.908 435 A HA -0.200 4.139 4.320 0.031 0.000 0.218 435 A C 2.351 179.950 177.584 0.024 0.000 1.181 435 A CA 1.985 54.027 52.037 0.008 0.000 0.627 435 A CB -1.243 17.760 19.000 0.005 0.000 0.818 435 A HN 0.482 nan 8.150 nan 0.000 0.445 436 S N -1.202 114.526 115.700 0.048 0.000 2.356 436 S HA -0.191 4.298 4.470 0.031 0.000 0.223 436 S C 2.011 176.676 174.600 0.107 0.000 1.032 436 S CA 1.558 59.830 58.200 0.118 0.000 1.005 436 S CB -0.808 62.494 63.200 0.171 0.000 0.867 436 S HN 0.671 nan 8.310 nan 0.000 0.449 437 C N 1.245 120.575 119.300 0.051 0.000 2.413 437 C HA -0.063 4.416 4.460 0.031 0.000 0.276 437 C C 2.455 177.393 174.990 -0.087 0.000 1.248 437 C CA 1.188 60.153 59.018 -0.089 0.000 1.742 437 C CB -1.428 26.266 27.740 -0.076 0.000 2.017 437 C HN 0.796 nan 8.230 nan 0.000 0.481 438 D N 0.452 120.825 120.400 -0.045 0.000 2.106 438 D HA -0.093 4.565 4.640 0.031 0.000 0.203 438 D C 2.085 178.376 176.300 -0.016 0.000 0.977 438 D CA 1.455 55.431 54.000 -0.040 0.000 0.844 438 D CB -0.156 40.631 40.800 -0.022 0.000 1.002 438 D HN 0.346 nan 8.370 nan 0.000 0.461 439 K N -0.386 120.017 120.400 0.005 0.000 2.062 439 K HA 0.072 4.411 4.320 0.031 0.000 0.205 439 K C 2.226 178.839 176.600 0.022 0.000 1.051 439 K CA 0.961 57.259 56.287 0.019 0.000 0.941 439 K CB -0.023 32.493 32.500 0.028 0.000 0.719 439 K HN 0.209 nan 8.250 nan 0.000 0.440 440 L N -1.653 119.588 121.223 0.031 0.000 2.221 440 L HA 0.039 4.398 4.340 0.031 0.000 0.202 440 L C 1.893 178.765 176.870 0.005 0.000 1.074 440 L CA 0.706 55.566 54.840 0.033 0.000 0.795 440 L CB -0.144 41.957 42.059 0.071 0.000 0.960 440 L HN 0.080 nan 8.230 nan 0.000 0.458 441 Y N 0.861 121.014 120.300 -0.245 0.000 2.500 441 Y HA 0.041 4.609 4.550 0.031 0.000 0.270 441 Y C 0.455 176.205 175.900 -0.250 0.000 1.134 441 Y CA -0.414 57.469 58.100 -0.362 0.000 1.293 441 Y CB 0.160 38.162 38.460 -0.762 0.000 1.063 441 Y HN 0.180 nan 8.280 nan 0.000 0.534 442 E N -0.899 119.248 120.200 -0.088 0.000 2.228 442 E HA -0.293 4.075 4.350 0.031 0.000 0.213 442 E C 0.471 177.022 176.600 -0.082 0.000 1.282 442 E CA 0.500 56.873 56.400 -0.045 0.000 0.707 442 E CB -1.885 27.827 29.700 0.020 0.000 1.150 442 E HN 0.573 nan 8.360 nan 0.000 0.362 443 C N -2.133 116.947 119.300 -0.367 0.000 3.386 443 C HA 0.517 4.995 4.460 0.031 0.000 0.279 443 C C 1.191 175.762 174.990 -0.698 0.000 1.508 443 C CA -0.093 58.272 59.018 -1.088 0.000 1.801 443 C CB -0.138 26.671 27.740 -1.552 0.000 2.798 443 C HN 0.456 nan 8.230 nan 0.000 0.605 444 S N 0.326 115.854 115.700 -0.287 0.000 2.607 444 S HA 0.811 5.300 4.470 0.031 0.000 0.272 444 S C 0.081 174.660 174.600 -0.035 0.000 1.166 444 S CA 0.552 58.669 58.200 -0.138 0.000 1.021 444 S CB 1.078 64.234 63.200 -0.074 0.000 1.113 444 S HN 1.566 nan 8.310 nan 0.000 0.531 445 C N -0.758 118.548 119.300 0.011 0.000 3.303 445 C HA 0.573 5.052 4.460 0.031 0.000 0.340 445 C C -2.374 172.644 174.990 0.047 0.000 1.274 445 C CA -1.119 57.937 59.018 0.063 0.000 1.234 445 C CB 0.428 28.239 27.740 0.118 0.000 1.532 445 C HN 0.583 nan 8.230 nan 0.000 0.483 446 P HA -0.104 nan 4.420 nan 0.000 0.216 446 P C 1.120 178.453 177.300 0.056 0.000 1.153 446 P CA 2.162 65.294 63.100 0.053 0.000 0.858 446 P CB 0.177 31.913 31.700 0.061 0.000 0.789 447 E N -0.538 119.714 120.200 0.086 0.000 2.077 447 E HA -0.118 4.250 4.350 0.031 0.000 0.193 447 E C 2.119 178.657 176.600 -0.104 0.000 0.989 447 E CA 0.879 57.334 56.400 0.092 0.000 0.800 447 E CB -0.984 28.864 29.700 0.245 0.000 0.746 447 E HN 0.255 nan 8.360 nan 0.000 0.452 448 I N 1.195 121.736 120.570 -0.048 0.000 2.179 448 I HA -0.272 3.917 4.170 0.031 0.000 0.242 448 I C 1.620 177.693 176.117 -0.073 0.000 1.088 448 I CA 1.174 62.431 61.300 -0.071 0.000 1.357 448 I CB -0.256 37.727 38.000 -0.029 0.000 1.051 448 I HN 0.075 nan 8.210 nan 0.000 0.409 449 D N 0.929 121.305 120.400 -0.039 0.000 2.106 449 D HA -0.240 4.418 4.640 0.031 0.000 0.191 449 D C 2.090 178.367 176.300 -0.039 0.000 0.997 449 D CA 1.401 55.387 54.000 -0.025 0.000 0.834 449 D CB -0.273 40.526 40.800 -0.003 0.000 0.956 449 D HN 0.239 nan 8.370 nan 0.000 0.448 450 K N 0.254 120.624 120.400 -0.051 0.000 2.057 450 K HA -0.077 4.262 4.320 0.031 0.000 0.207 450 K C 2.328 178.839 176.600 -0.150 0.000 1.049 450 K CA 0.644 56.898 56.287 -0.055 0.000 0.931 450 K CB -0.147 32.377 32.500 0.040 0.000 0.714 450 K HN 0.097 nan 8.250 nan 0.000 0.440 451 I N 0.616 121.000 120.570 -0.309 0.000 2.226 451 I HA -0.374 3.815 4.170 0.031 0.000 0.245 451 I C 2.334 178.401 176.117 -0.084 0.000 1.100 451 I CA 0.945 62.049 61.300 -0.328 0.000 1.374 451 I CB -0.240 37.520 38.000 -0.400 0.000 1.057 451 I HN 0.359 nan 8.210 nan 0.000 0.413 452 C N -0.141 119.155 119.300 -0.007 0.000 2.429 452 C HA -0.132 4.347 4.460 0.031 0.000 0.277 452 C C 3.168 178.171 174.990 0.023 0.000 1.262 452 C CA 1.070 60.129 59.018 0.069 0.000 1.733 452 C CB -0.931 26.834 27.740 0.041 0.000 2.010 452 C HN 0.486 nan 8.230 nan 0.000 0.483 453 S N 1.164 116.858 115.700 -0.010 0.000 2.353 453 S HA -0.120 4.369 4.470 0.031 0.000 0.222 453 S C 1.657 176.243 174.600 -0.023 0.000 1.035 453 S CA 1.560 59.752 58.200 -0.013 0.000 1.025 453 S CB -0.408 62.785 63.200 -0.011 0.000 0.902 453 S HN 0.565 nan 8.310 nan 0.000 0.440 454 I N 1.778 122.328 120.570 -0.034 0.000 2.163 454 I HA -0.266 3.923 4.170 0.031 0.000 0.243 454 I C 2.735 178.817 176.117 -0.058 0.000 1.085 454 I CA 1.230 62.508 61.300 -0.037 0.000 1.347 454 I CB -0.606 37.377 38.000 -0.029 0.000 1.044 454 I HN 0.273 nan 8.210 nan 0.000 0.408 455 A N 1.103 123.872 122.820 -0.084 0.000 1.865 455 A HA -0.179 4.159 4.320 0.031 0.000 0.217 455 A C 2.314 179.860 177.584 -0.063 0.000 1.191 455 A CA 1.527 53.495 52.037 -0.114 0.000 0.623 455 A CB -0.981 17.880 19.000 -0.233 0.000 0.826 455 A HN 0.380 nan 8.150 nan 0.000 0.444 456 L N -0.678 120.529 121.223 -0.027 0.000 2.042 456 L HA -0.181 4.178 4.340 0.031 0.000 0.210 456 L C 2.740 179.554 176.870 -0.093 0.000 1.076 456 L CA 1.590 56.399 54.840 -0.053 0.000 0.749 456 L CB -0.387 41.657 42.059 -0.026 0.000 0.893 456 L HN 0.325 nan 8.230 nan 0.000 0.432 457 S N -0.800 114.859 115.700 -0.069 0.000 2.481 457 S HA -0.014 4.475 4.470 0.031 0.000 0.231 457 S C 1.273 175.825 174.600 -0.081 0.000 0.996 457 S CA 0.607 58.765 58.200 -0.071 0.000 0.942 457 S CB -0.144 63.029 63.200 -0.046 0.000 0.768 457 S HN 0.432 nan 8.310 nan 0.000 0.520 458 N N -0.115 118.533 118.700 -0.085 0.000 2.275 458 N HA 0.234 4.992 4.740 0.031 0.000 0.236 458 N C 0.779 176.227 175.510 -0.104 0.000 1.154 458 N CA 0.564 53.565 53.050 -0.082 0.000 0.866 458 N CB 1.424 39.877 38.487 -0.057 0.000 1.093 458 N HN 0.456 nan 8.380 nan 0.000 0.515 459 G N 0.186 108.894 108.800 -0.153 0.000 2.551 459 G HA2 -0.205 3.773 3.960 0.031 0.000 0.186 459 G HA3 -0.205 3.773 3.960 0.031 0.000 0.186 459 G C 0.080 174.857 174.900 -0.205 0.000 1.002 459 G CA -0.278 44.715 45.100 -0.178 0.000 0.723 459 G HN 0.268 nan 8.290 nan 0.000 0.481 460 S N -0.666 114.944 115.700 -0.149 0.000 2.580 460 S HA 0.615 5.104 4.470 0.031 0.000 0.274 460 S C 1.018 175.527 174.600 -0.152 0.000 1.329 460 S CA -0.158 58.011 58.200 -0.051 0.000 1.036 460 S CB 0.833 64.073 63.200 0.066 0.000 0.919 460 S HN 0.271 nan 8.310 nan 0.000 0.515 461 Y N 2.430 122.746 120.300 0.027 0.000 2.503 461 Y HA 0.366 4.930 4.550 0.024 0.000 0.277 461 Y C 1.386 177.327 175.900 0.069 0.000 1.102 461 Y CA 0.512 58.637 58.100 0.042 0.000 1.261 461 Y CB 0.491 38.998 38.460 0.078 0.000 1.096 461 Y HN 0.759 nan 8.280 nan 0.000 0.546 462 G N -0.749 108.195 108.800 0.239 0.000 2.753 462 G HA2 0.529 4.508 3.960 0.031 0.000 0.297 462 G HA3 0.529 4.508 3.960 0.031 0.000 0.297 462 G C -1.374 173.624 174.900 0.164 0.000 1.430 462 G CA -0.528 44.677 45.100 0.176 0.000 1.040 462 G HN -0.115 nan 8.290 nan 0.000 0.530 463 S N 0.258 116.012 115.700 0.091 0.000 2.547 463 S HA 0.885 5.373 4.470 0.031 0.000 0.281 463 S C -0.256 174.306 174.600 -0.064 0.000 1.118 463 S CA -0.943 57.263 58.200 0.010 0.000 0.947 463 S CB 2.260 65.586 63.200 0.209 0.000 1.053 463 S HN 1.103 nan 8.310 nan 0.000 0.482 464 R N 0.438 120.834 120.500 -0.174 0.000 2.728 464 R HA 0.568 4.926 4.340 0.031 0.000 0.274 464 R C -1.441 174.788 176.300 -0.120 0.000 1.032 464 R CA -1.140 54.900 56.100 -0.099 0.000 0.866 464 R CB 0.166 30.432 30.300 -0.057 0.000 1.263 464 R HN 0.471 nan 8.270 nan 0.000 0.475 465 L N -0.949 120.231 121.223 -0.072 0.000 2.476 465 L HA 0.700 5.059 4.340 0.031 0.000 0.255 465 L C 0.056 176.899 176.870 -0.045 0.000 1.218 465 L CA -0.006 54.800 54.840 -0.056 0.000 0.819 465 L CB 0.890 42.921 42.059 -0.047 0.000 1.119 465 L HN 0.719 nan 8.230 nan 0.000 0.485 466 T N -0.244 114.296 114.554 -0.023 0.000 2.912 466 T HA 0.687 5.056 4.350 0.031 0.000 0.299 466 T C -0.139 174.566 174.700 0.008 0.000 1.052 466 T CA 0.368 62.462 62.100 -0.010 0.000 0.996 466 T CB 0.763 69.626 68.868 -0.008 0.000 1.070 466 T HN 1.598 nan 8.240 nan 0.000 0.465 467 G N 1.984 110.786 108.800 0.004 0.000 2.632 467 G HA2 0.108 4.087 3.960 0.031 0.000 0.224 467 G HA3 0.108 4.087 3.960 0.031 0.000 0.224 467 G C 1.043 175.944 174.900 0.003 0.000 1.341 467 G CA 0.022 45.135 45.100 0.022 0.000 0.880 467 G HN 1.443 nan 8.290 nan 0.000 0.566 468 A N -0.820 122.059 122.820 0.098 0.000 1.972 468 A HA 0.497 4.836 4.320 0.031 0.000 0.219 468 A C 2.706 180.394 177.584 0.172 0.000 1.169 468 A CA 2.794 54.965 52.037 0.225 0.000 0.635 468 A CB -0.908 18.422 19.000 0.550 0.000 0.810 468 A HN 3.018 nan 8.150 nan 0.000 0.446 469 G N -3.814 105.039 108.800 0.089 0.000 2.512 469 G HA2 -0.105 3.873 3.960 0.031 0.000 0.210 469 G HA3 -0.105 3.873 3.960 0.031 0.000 0.210 469 G C 0.145 175.111 174.900 0.109 0.000 1.295 469 G CA -0.118 44.931 45.100 -0.084 0.000 0.934 469 G HN 1.004 nan 8.290 nan 0.000 0.554 470 W N -0.527 120.854 121.300 0.134 0.000 4.233 470 W HA 0.001 4.680 4.660 0.032 0.000 0.328 470 W C 1.293 177.876 176.519 0.108 0.000 1.212 470 W CA 2.183 59.595 57.345 0.113 0.000 0.752 470 W CB -2.089 27.444 29.460 0.121 0.000 2.277 470 W HN 2.667 nan 8.180 nan 0.000 1.465 471 G N -1.255 107.679 108.800 0.223 0.000 2.255 471 G HA2 0.434 4.413 3.960 0.031 0.000 0.216 471 G HA3 0.434 4.413 3.960 0.031 0.000 0.216 471 G C 0.499 175.487 174.900 0.146 0.000 1.307 471 G CA 1.182 46.390 45.100 0.181 0.000 1.162 471 G HN 1.559 nan 8.290 nan 0.000 0.494 472 G N -1.682 107.203 108.800 0.142 0.000 2.525 472 G HA2 0.110 4.088 3.960 0.031 0.000 0.248 472 G HA3 0.110 4.088 3.960 0.031 0.000 0.248 472 G C 0.619 175.573 174.900 0.090 0.000 1.238 472 G CA 0.799 45.967 45.100 0.113 0.000 0.926 472 G HN 2.123 nan 8.290 nan 0.000 0.574 473 C N 0.284 119.624 119.300 0.067 0.000 2.345 473 C HA 0.932 5.411 4.460 0.031 0.000 0.370 473 C C 0.948 175.958 174.990 0.033 0.000 1.209 473 C CA 0.454 59.507 59.018 0.058 0.000 2.133 473 C CB 0.991 28.759 27.740 0.046 0.000 2.293 473 C HN 1.324 nan 8.230 nan 0.000 0.544 474 T N -1.183 113.396 114.554 0.042 0.000 2.907 474 T HA 0.779 5.147 4.350 0.031 0.000 0.292 474 T C -0.975 173.672 174.700 -0.088 0.000 1.043 474 T CA -0.513 61.565 62.100 -0.038 0.000 1.003 474 T CB 1.143 70.022 68.868 0.019 0.000 1.084 474 T HN 0.566 nan 8.240 nan 0.000 0.483 475 V N 1.574 121.304 119.914 -0.307 0.000 2.680 475 V HA 0.625 4.763 4.120 0.031 0.000 0.309 475 V C -0.747 175.012 176.094 -0.558 0.000 1.052 475 V CA -0.933 61.252 62.300 -0.193 0.000 0.908 475 V CB 1.556 33.359 31.823 -0.033 0.000 1.001 475 V HN 1.026 nan 8.190 nan 0.000 0.431 476 H N 3.491 122.703 119.070 0.238 0.000 2.782 476 H HA 0.410 4.988 4.556 0.037 0.000 0.347 476 H C -1.179 174.291 175.328 0.237 0.000 1.038 476 H CA -0.731 55.441 56.048 0.208 0.000 1.255 476 H CB 2.701 32.530 29.762 0.112 0.000 1.623 476 H HN 0.595 nan 8.280 nan 0.000 0.525 477 L N 4.401 125.811 121.223 0.313 0.000 2.342 477 L HA 0.279 4.638 4.340 0.031 0.000 0.285 477 L C -0.960 175.978 176.870 0.113 0.000 1.095 477 L CA -0.144 54.742 54.840 0.077 0.000 0.843 477 L CB 0.061 42.253 42.059 0.222 0.000 1.201 477 L HN 0.332 nan 8.230 nan 0.000 0.445 478 V N 6.634 126.545 119.914 -0.006 0.000 2.656 478 V HA 0.522 4.660 4.120 0.031 0.000 0.307 478 V C -2.261 173.771 176.094 -0.103 0.000 1.051 478 V CA -1.676 60.616 62.300 -0.012 0.000 0.893 478 V CB 1.940 33.762 31.823 -0.002 0.000 0.999 478 V HN 0.615 nan 8.190 nan 0.000 0.426 479 P HA 0.234 nan 4.420 nan 0.000 0.271 479 P C 0.147 177.388 177.300 -0.100 0.000 1.233 479 P CA 0.537 63.416 63.100 -0.367 0.000 0.764 479 P CB 0.672 31.945 31.700 -0.712 0.000 0.825 480 G N 1.912 110.705 108.800 -0.012 0.000 2.613 480 G HA2 0.662 4.640 3.960 0.031 0.000 0.303 480 G HA3 0.662 4.640 3.960 0.031 0.000 0.303 480 G C 0.095 175.015 174.900 0.034 0.000 1.312 480 G CA -0.332 44.770 45.100 0.003 0.000 1.036 480 G HN 0.765 nan 8.290 nan 0.000 0.513 481 G N -0.496 108.313 108.800 0.016 0.000 2.681 481 G HA2 -0.076 3.903 3.960 0.031 0.000 0.220 481 G HA3 -0.076 3.903 3.960 0.031 0.000 0.220 481 G C -1.048 173.855 174.900 0.005 0.000 1.353 481 G CA 0.219 45.325 45.100 0.010 0.000 0.872 481 G HN 0.700 nan 8.290 nan 0.000 0.557 482 P HA -0.047 nan 4.420 nan 0.000 0.214 482 P C 1.257 178.549 177.300 -0.014 0.000 1.163 482 P CA 1.599 64.691 63.100 -0.014 0.000 0.883 482 P CB -0.117 31.568 31.700 -0.025 0.000 0.788 483 N N -0.228 118.453 118.700 -0.032 0.000 2.501 483 N HA 0.058 4.817 4.740 0.031 0.000 0.195 483 N C 1.093 176.642 175.510 0.065 0.000 1.213 483 N CA 0.433 53.466 53.050 -0.028 0.000 0.864 483 N CB -0.384 37.994 38.487 -0.183 0.000 0.999 483 N HN 0.194 nan 8.380 nan 0.000 0.454 484 G N -0.146 108.684 108.800 0.049 0.000 2.535 484 G HA2 0.160 4.139 3.960 0.031 0.000 0.303 484 G HA3 0.160 4.139 3.960 0.031 0.000 0.303 484 G C 0.536 175.434 174.900 -0.003 0.000 1.237 484 G CA -0.379 44.743 45.100 0.037 0.000 0.986 484 G HN 0.122 nan 8.290 nan 0.000 0.494 485 N N -0.724 117.955 118.700 -0.035 0.000 2.235 485 N HA 0.127 4.885 4.740 0.031 0.000 0.231 485 N C 1.774 177.263 175.510 -0.035 0.000 1.177 485 N CA -0.246 52.779 53.050 -0.041 0.000 0.874 485 N CB 0.702 39.148 38.487 -0.068 0.000 1.097 485 N HN 0.380 nan 8.380 nan 0.000 0.518 486 I N 1.176 121.733 120.570 -0.023 0.000 2.118 486 I HA -0.268 3.920 4.170 0.031 0.000 0.241 486 I C 2.187 178.299 176.117 -0.009 0.000 1.070 486 I CA 1.327 62.619 61.300 -0.012 0.000 1.327 486 I CB 0.079 38.079 38.000 -0.000 0.000 1.034 486 I HN 0.068 nan 8.210 nan 0.000 0.405 487 E N 0.600 120.796 120.200 -0.006 0.000 2.118 487 E HA -0.299 4.069 4.350 0.031 0.000 0.195 487 E C 2.104 178.700 176.600 -0.007 0.000 0.992 487 E CA 1.228 57.626 56.400 -0.003 0.000 0.804 487 E CB -0.321 29.378 29.700 -0.002 0.000 0.741 487 E HN 0.482 nan 8.360 nan 0.000 0.458 488 K N 0.903 121.294 120.400 -0.015 0.000 2.009 488 K HA -0.142 4.197 4.320 0.031 0.000 0.210 488 K C 2.189 178.775 176.600 -0.023 0.000 1.049 488 K CA 1.470 57.745 56.287 -0.020 0.000 0.929 488 K CB -0.059 32.423 32.500 -0.031 0.000 0.714 488 K HN -0.076 nan 8.250 nan 0.000 0.440 489 V N 1.811 121.705 119.914 -0.034 0.000 2.261 489 V HA -0.261 3.878 4.120 0.031 0.000 0.246 489 V C 2.423 178.504 176.094 -0.022 0.000 1.047 489 V CA 1.905 64.177 62.300 -0.047 0.000 1.015 489 V CB -0.463 31.319 31.823 -0.068 0.000 0.642 489 V HN 0.397 nan 8.190 nan 0.000 0.446 490 K N -0.475 119.921 120.400 -0.007 0.000 2.015 490 K HA -0.309 4.030 4.320 0.031 0.000 0.216 490 K C 2.243 178.867 176.600 0.040 0.000 1.052 490 K CA 2.271 58.569 56.287 0.018 0.000 0.937 490 K CB -0.250 32.258 32.500 0.012 0.000 0.719 490 K HN 0.356 nan 8.250 nan 0.000 0.446 491 E N 0.220 120.435 120.200 0.026 0.000 2.049 491 E HA -0.187 4.181 4.350 0.031 0.000 0.198 491 E C 1.732 178.362 176.600 0.051 0.000 1.007 491 E CA 1.762 58.182 56.400 0.034 0.000 0.809 491 E CB -0.293 29.418 29.700 0.018 0.000 0.749 491 E HN 0.362 nan 8.360 nan 0.000 0.450 492 A N 0.295 123.136 122.820 0.035 0.000 1.908 492 A HA -0.179 4.160 4.320 0.031 0.000 0.218 492 A C 2.366 179.999 177.584 0.082 0.000 1.181 492 A CA 1.494 53.554 52.037 0.039 0.000 0.627 492 A CB -0.776 18.228 19.000 0.007 0.000 0.818 492 A HN 0.320 nan 8.150 nan 0.000 0.445 493 L N -0.968 120.316 121.223 0.101 0.000 2.017 493 L HA -0.224 4.135 4.340 0.031 0.000 0.208 493 L C 3.168 180.261 176.870 0.372 0.000 1.073 493 L CA 1.148 56.108 54.840 0.200 0.000 0.745 493 L CB -0.622 41.566 42.059 0.214 0.000 0.894 493 L HN 0.475 nan 8.230 nan 0.000 0.432 494 A N 0.627 123.627 122.820 0.299 0.000 1.883 494 A HA -0.272 4.067 4.320 0.031 0.000 0.217 494 A C 1.940 179.660 177.584 0.227 0.000 1.186 494 A CA 2.479 54.688 52.037 0.288 0.000 0.624 494 A CB -0.894 18.179 19.000 0.121 0.000 0.822 494 A HN 0.578 nan 8.150 nan 0.000 0.444 495 N N -0.665 118.121 118.700 0.144 0.000 2.135 495 N HA -0.084 4.675 4.740 0.031 0.000 0.186 495 N C 1.684 177.246 175.510 0.087 0.000 1.027 495 N CA 1.291 54.398 53.050 0.094 0.000 0.849 495 N CB -0.168 38.353 38.487 0.058 0.000 1.002 495 N HN 0.595 nan 8.380 nan 0.000 0.425 496 E N -0.843 119.417 120.200 0.100 0.000 2.371 496 E HA -0.051 4.317 4.350 0.031 0.000 0.194 496 E C 0.729 177.400 176.600 0.119 0.000 1.012 496 E CA 0.482 56.933 56.400 0.085 0.000 0.860 496 E CB 0.224 29.964 29.700 0.067 0.000 0.811 496 E HN 0.334 nan 8.360 nan 0.000 0.502 497 F N -1.027 118.906 119.950 -0.029 0.000 2.495 497 F HA 0.098 4.639 4.527 0.024 0.000 0.271 497 F C 1.492 177.220 175.800 -0.121 0.000 0.889 497 F CA 0.193 58.103 58.000 -0.150 0.000 1.129 497 F CB -0.459 38.339 39.000 -0.338 0.000 1.169 497 F HN -0.168 nan 8.300 nan 0.000 0.781 498 Y N 1.396 121.676 120.300 -0.033 0.000 2.097 498 Y HA -0.208 4.362 4.550 0.033 0.000 0.282 498 Y C 2.493 178.347 175.900 -0.076 0.000 1.152 498 Y CA 2.199 60.264 58.100 -0.057 0.000 1.136 498 Y CB -0.569 37.997 38.460 0.177 0.000 0.975 498 Y HN 0.005 nan 8.280 nan 0.000 0.498 499 K N -0.418 120.079 120.400 0.162 0.000 2.209 499 K HA -0.137 4.201 4.320 0.031 0.000 0.204 499 K C 1.808 178.395 176.600 -0.021 0.000 1.048 499 K CA 1.245 57.576 56.287 0.074 0.000 0.940 499 K CB -0.197 32.348 32.500 0.075 0.000 0.729 499 K HN 0.157 nan 8.250 nan 0.000 0.451 500 V N 0.769 120.622 119.914 -0.101 0.000 2.300 500 V HA -0.157 3.981 4.120 0.031 0.000 0.241 500 V C 2.172 178.094 176.094 -0.286 0.000 1.034 500 V CA 1.448 63.653 62.300 -0.158 0.000 1.021 500 V CB -0.253 31.485 31.823 -0.141 0.000 0.662 500 V HN 0.221 nan 8.190 nan 0.000 0.458 501 K N -0.331 119.740 120.400 -0.549 0.000 2.155 501 K HA -0.095 4.244 4.320 0.031 0.000 0.203 501 K C 0.260 176.377 176.600 -0.804 0.000 1.052 501 K CA 1.301 57.108 56.287 -0.799 0.000 0.948 501 K CB 0.005 31.730 32.500 -1.292 0.000 0.728 501 K HN 0.572 nan 8.250 nan 0.000 0.448 502 Y N 0.287 120.468 120.300 -0.199 0.000 2.638 502 Y HA 0.277 4.843 4.550 0.028 0.000 0.367 502 Y C -2.021 173.858 175.900 -0.035 0.000 1.001 502 Y CA -2.462 55.593 58.100 -0.075 0.000 1.133 502 Y CB 1.168 39.621 38.460 -0.011 0.000 1.199 502 Y HN 0.113 nan 8.280 nan 0.000 0.642 503 P HA -0.233 nan 4.420 nan 0.000 0.217 503 P C 0.847 178.179 177.300 0.053 0.000 1.151 503 P CA 1.638 64.758 63.100 0.033 0.000 0.849 503 P CB 0.412 32.113 31.700 0.002 0.000 0.787 504 K N -0.974 119.467 120.400 0.069 0.000 2.486 504 K HA 0.058 4.397 4.320 0.031 0.000 0.194 504 K C 1.169 177.801 176.600 0.052 0.000 1.033 504 K CA -0.308 56.011 56.287 0.053 0.000 1.004 504 K CB -0.400 32.129 32.500 0.047 0.000 0.798 504 K HN 0.222 nan 8.250 nan 0.000 0.495 505 I N 2.784 123.404 120.570 0.083 0.000 2.775 505 I HA -0.122 4.067 4.170 0.031 0.000 0.290 505 I C 0.632 176.763 176.117 0.023 0.000 1.203 505 I CA 0.447 61.780 61.300 0.055 0.000 1.433 505 I CB 0.617 38.676 38.000 0.099 0.000 1.354 505 I HN 0.142 nan 8.210 nan 0.000 0.579 506 T N 2.193 116.744 114.554 -0.004 0.000 2.934 506 T HA 0.241 4.610 4.350 0.031 0.000 0.283 506 T C 0.809 175.494 174.700 -0.025 0.000 1.005 506 T CA -0.801 61.293 62.100 -0.010 0.000 1.041 506 T CB 1.373 70.233 68.868 -0.014 0.000 1.042 506 T HN 0.588 nan 8.240 nan 0.000 0.505 507 D N 1.245 121.634 120.400 -0.019 0.000 2.182 507 D HA -0.099 4.559 4.640 0.031 0.000 0.201 507 D C 2.227 178.506 176.300 -0.035 0.000 0.986 507 D CA 1.567 55.552 54.000 -0.026 0.000 0.847 507 D CB -0.563 40.229 40.800 -0.014 0.000 0.942 507 D HN 0.755 nan 8.370 nan 0.000 0.467 508 A N 1.257 124.061 122.820 -0.028 0.000 1.855 508 A HA -0.202 4.136 4.320 0.031 0.000 0.215 508 A C 2.135 179.695 177.584 -0.040 0.000 1.191 508 A CA 1.420 53.443 52.037 -0.025 0.000 0.613 508 A CB -0.535 18.455 19.000 -0.016 0.000 0.829 508 A HN 0.175 nan 8.150 nan 0.000 0.442 509 E N -0.160 120.009 120.200 -0.052 0.000 2.051 509 E HA -0.156 4.213 4.350 0.031 0.000 0.192 509 E C 2.011 178.535 176.600 -0.128 0.000 0.991 509 E CA 1.061 57.416 56.400 -0.076 0.000 0.799 509 E CB -0.311 29.343 29.700 -0.078 0.000 0.748 509 E HN 0.573 nan 8.360 nan 0.000 0.449 510 L N 1.061 122.196 121.223 -0.147 0.000 1.990 510 L HA -0.267 4.091 4.340 0.031 0.000 0.213 510 L C 2.555 179.305 176.870 -0.199 0.000 1.072 510 L CA 1.472 56.163 54.840 -0.249 0.000 0.755 510 L CB -0.342 41.615 42.059 -0.170 0.000 0.889 510 L HN 0.211 nan 8.230 nan 0.000 0.432 511 E N -0.203 119.934 120.200 -0.106 0.000 2.130 511 E HA -0.237 4.131 4.350 0.031 0.000 0.196 511 E C 1.742 178.315 176.600 -0.046 0.000 0.998 511 E CA 1.151 57.515 56.400 -0.059 0.000 0.806 511 E CB 0.013 29.699 29.700 -0.023 0.000 0.738 511 E HN 0.513 nan 8.360 nan 0.000 0.459 512 N N -0.299 118.369 118.700 -0.054 0.000 2.457 512 N HA -0.052 4.707 4.740 0.031 0.000 0.180 512 N C 1.361 176.821 175.510 -0.083 0.000 1.050 512 N CA 0.699 53.727 53.050 -0.036 0.000 0.906 512 N CB 0.248 38.738 38.487 0.005 0.000 0.968 512 N HN 0.093 nan 8.380 nan 0.000 0.445 513 A N 0.526 123.264 122.820 -0.138 0.000 2.072 513 A HA 0.159 4.498 4.320 0.031 0.000 0.216 513 A C 0.971 178.522 177.584 -0.056 0.000 1.156 513 A CA 0.420 52.380 52.037 -0.129 0.000 0.701 513 A CB 0.133 18.954 19.000 -0.298 0.000 0.816 513 A HN 0.118 nan 8.150 nan 0.000 0.458 514 I N 0.371 120.897 120.570 -0.072 0.000 2.389 514 I HA 0.471 4.660 4.170 0.031 0.000 0.288 514 I C -1.250 174.882 176.117 0.025 0.000 0.999 514 I CA -0.435 60.868 61.300 0.004 0.000 1.129 514 I CB 1.778 39.777 38.000 -0.001 0.000 1.288 514 I HN 0.004 nan 8.210 nan 0.000 0.444 515 I N 6.211 126.816 120.570 0.059 0.000 2.647 515 I HA 0.382 4.571 4.170 0.031 0.000 0.295 515 I C -0.522 175.664 176.117 0.115 0.000 1.078 515 I CA -0.823 60.531 61.300 0.089 0.000 1.048 515 I CB 2.409 40.459 38.000 0.083 0.000 1.239 515 I HN 0.121 nan 8.210 nan 0.000 0.421 516 V N 4.320 124.304 119.914 0.116 0.000 2.383 516 V HA 0.418 4.557 4.120 0.031 0.000 0.275 516 V C 0.233 176.414 176.094 0.144 0.000 1.036 516 V CA -0.394 61.977 62.300 0.119 0.000 0.889 516 V CB 1.383 33.257 31.823 0.085 0.000 0.985 516 V HN 0.857 nan 8.190 nan 0.000 0.459 517 S N 5.872 121.674 115.700 0.170 0.000 2.565 517 S HA 0.663 5.151 4.470 0.031 0.000 0.290 517 S C -0.658 174.047 174.600 0.174 0.000 1.150 517 S CA -0.861 57.449 58.200 0.182 0.000 1.058 517 S CB 1.678 64.996 63.200 0.196 0.000 1.032 517 S HN 0.582 nan 8.310 nan 0.000 0.510 518 K N 1.863 122.356 120.400 0.155 0.000 2.378 518 K HA 0.489 4.828 4.320 0.031 0.000 0.252 518 K C -3.035 173.648 176.600 0.138 0.000 0.931 518 K CA -2.310 54.064 56.287 0.144 0.000 0.794 518 K CB 1.953 34.515 32.500 0.103 0.000 1.181 518 K HN 0.440 nan 8.250 nan 0.000 0.425 519 P HA 0.050 nan 4.420 nan 0.000 0.267 519 P C -1.008 176.339 177.300 0.078 0.000 1.205 519 P CA 0.023 63.186 63.100 0.106 0.000 0.765 519 P CB 0.717 32.461 31.700 0.074 0.000 0.828 520 A N 3.502 126.363 122.820 0.068 0.000 2.282 520 A HA 0.631 4.970 4.320 0.031 0.000 0.324 520 A C -0.522 177.088 177.584 0.043 0.000 1.119 520 A CA -0.719 51.347 52.037 0.049 0.000 0.880 520 A CB 0.359 19.387 19.000 0.047 0.000 1.294 520 A HN 0.555 nan 8.150 nan 0.000 0.493 521 L N 0.676 121.918 121.223 0.032 0.000 2.395 521 L HA 0.621 4.980 4.340 0.031 0.000 0.269 521 L C 0.878 177.773 176.870 0.040 0.000 1.133 521 L CA 0.631 55.492 54.840 0.035 0.000 0.812 521 L CB 0.704 42.781 42.059 0.029 0.000 1.125 521 L HN 0.821 nan 8.230 nan 0.000 0.452 522 G N 2.386 111.211 108.800 0.042 0.000 2.485 522 G HA2 0.247 4.226 3.960 0.031 0.000 0.260 522 G HA3 0.247 4.226 3.960 0.031 0.000 0.260 522 G C -0.425 174.513 174.900 0.064 0.000 1.459 522 G CA -0.349 44.779 45.100 0.046 0.000 1.060 522 G HN 0.816 nan 8.290 nan 0.000 0.546 523 S N -1.256 114.480 115.700 0.061 0.000 2.554 523 S HA 0.299 4.788 4.470 0.031 0.000 0.290 523 S C 0.396 175.058 174.600 0.104 0.000 1.309 523 S CA 0.497 58.743 58.200 0.077 0.000 1.047 523 S CB -0.527 62.707 63.200 0.056 0.000 0.828 523 S HN 1.353 nan 8.310 nan 0.000 0.509 524 C N 1.859 121.240 119.300 0.136 0.000 3.306 524 C HA 0.799 5.278 4.460 0.031 0.000 0.335 524 C C -1.360 173.764 174.990 0.222 0.000 1.382 524 C CA -1.124 58.014 59.018 0.201 0.000 1.254 524 C CB -0.105 27.842 27.740 0.346 0.000 1.555 524 C HN 0.767 nan 8.230 nan 0.000 0.463 525 L N 1.236 122.626 121.223 0.279 0.000 2.381 525 L HA 0.671 5.030 4.340 0.031 0.000 0.268 525 L C -1.525 175.604 176.870 0.431 0.000 0.997 525 L CA -0.430 54.574 54.840 0.274 0.000 0.818 525 L CB 2.097 44.214 42.059 0.097 0.000 1.310 525 L HN 0.847 nan 8.230 nan 0.000 0.416 526 Y N 3.063 123.498 120.300 0.225 0.000 2.331 526 Y HA 0.418 4.988 4.550 0.033 0.000 0.334 526 Y C -0.550 175.468 175.900 0.198 0.000 0.960 526 Y CA -0.835 57.393 58.100 0.213 0.000 1.130 526 Y CB 1.322 39.881 38.460 0.166 0.000 1.164 526 Y HN 0.472 nan 8.280 nan 0.000 0.458 527 E N 6.207 126.210 120.200 -0.328 0.000 2.204 527 E HA 0.463 4.831 4.350 0.031 0.000 0.276 527 E C -0.968 175.302 176.600 -0.550 0.000 0.974 527 E CA -0.536 55.693 56.400 -0.285 0.000 0.815 527 E CB 2.155 31.786 29.700 -0.115 0.000 1.119 527 E HN 0.675 nan 8.360 nan 0.000 0.393 528 L N 0.000 121.053 121.223 -0.284 0.000 2.949 528 L HA 0.000 4.359 4.340 0.031 0.000 0.249 528 L CA 0.000 54.702 54.840 -0.230 0.000 0.813 528 L CB 0.000 41.965 42.059 -0.158 0.000 0.961 528 L HN 0.000 nan 8.230 nan 0.000 0.502