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 1yoo_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITTAPA DPILGLADLL RADERPGKID LGMGVYNDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VRXXRXXXVW VSNPGWPTHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGTCTLVA ADSETVDRAF SQMKAAIRVN YSSPPAHGAS DATA SEQUENCE VVATILGNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFTI DATA SEQUENCE KQNGMFFFGG LTKEQVLRLR EEFGVYAVAS GRLNVAGMTP DNLAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.201 176.300 -0.165 0.000 1.140 5 M CA 0.000 55.084 55.300 -0.360 0.000 0.988 5 M CB 0.000 32.154 32.600 -0.744 0.000 1.302 6 F N 0.959 120.906 119.950 -0.005 0.000 2.639 6 F HA 0.408 4.949 4.527 0.023 0.000 0.300 6 F C 1.294 177.090 175.800 -0.005 0.000 1.109 6 F CA 0.033 58.030 58.000 -0.005 0.000 1.335 6 F CB -0.784 38.213 39.000 -0.005 0.000 1.014 6 F HN 0.133 nan 8.300 nan 0.000 0.537 7 E N 0.413 120.682 120.200 0.115 0.000 2.072 7 E HA -0.129 4.234 4.350 0.022 0.000 0.191 7 E C 1.537 178.174 176.600 0.062 0.000 0.985 7 E CA 1.132 57.574 56.400 0.070 0.000 0.801 7 E CB -0.281 29.435 29.700 0.028 0.000 0.750 7 E HN 0.166 nan 8.360 nan 0.000 0.452 8 N N 0.375 119.112 118.700 0.061 0.000 2.463 8 N HA 0.037 4.791 4.740 0.022 0.000 0.181 8 N C 0.120 175.657 175.510 0.045 0.000 1.078 8 N CA 0.241 53.318 53.050 0.044 0.000 0.902 8 N CB 0.012 38.519 38.487 0.034 0.000 0.970 8 N HN 0.198 nan 8.380 nan 0.000 0.451 9 I N 1.808 122.418 120.570 0.065 0.000 2.775 9 I HA -0.087 4.097 4.170 0.022 0.000 0.290 9 I C 0.901 177.028 176.117 0.017 0.000 1.203 9 I CA 0.236 61.560 61.300 0.040 0.000 1.433 9 I CB 0.190 38.212 38.000 0.036 0.000 1.354 9 I HN 0.078 nan 8.210 nan 0.000 0.579 10 T N 1.285 115.840 114.554 0.003 0.000 2.934 10 T HA 0.310 4.673 4.350 0.022 0.000 0.283 10 T C 0.102 174.793 174.700 -0.015 0.000 1.005 10 T CA -0.891 61.206 62.100 -0.004 0.000 1.041 10 T CB 1.264 70.129 68.868 -0.005 0.000 1.042 10 T HN 0.515 nan 8.240 nan 0.000 0.505 11 T N 2.531 117.076 114.554 -0.015 0.000 2.888 11 T HA 0.474 4.837 4.350 0.022 0.000 0.301 11 T C 0.728 175.412 174.700 -0.026 0.000 1.001 11 T CA -0.327 61.760 62.100 -0.022 0.000 1.147 11 T CB 0.156 69.013 68.868 -0.018 0.000 0.931 11 T HN 0.976 nan 8.240 nan 0.000 0.541 12 A N 4.949 127.748 122.820 -0.034 0.000 2.407 12 A HA 0.519 4.852 4.320 0.022 0.000 0.248 12 A C -1.876 175.687 177.584 -0.035 0.000 1.082 12 A CA -1.289 50.726 52.037 -0.037 0.000 0.785 12 A CB -0.530 18.443 19.000 -0.046 0.000 1.020 12 A HN 0.602 nan 8.150 nan 0.000 0.489 13 P HA 0.410 nan 4.420 nan 0.000 0.271 13 P C -0.197 177.078 177.300 -0.042 0.000 1.216 13 P CA 0.043 63.121 63.100 -0.037 0.000 0.776 13 P CB 0.891 32.566 31.700 -0.040 0.000 0.881 14 A N 2.122 124.920 122.820 -0.036 0.000 2.407 14 A HA 0.100 4.433 4.320 0.022 0.000 0.248 14 A C 0.383 177.937 177.584 -0.050 0.000 1.082 14 A CA -0.276 51.738 52.037 -0.038 0.000 0.785 14 A CB -0.031 18.955 19.000 -0.024 0.000 1.020 14 A HN 0.602 nan 8.150 nan 0.000 0.489 15 D N 2.462 122.827 120.400 -0.058 0.000 2.383 15 D HA 0.123 4.777 4.640 0.022 0.000 0.252 15 D C -1.218 175.043 176.300 -0.065 0.000 1.166 15 D CA -1.257 52.695 54.000 -0.080 0.000 0.879 15 D CB 1.086 41.832 40.800 -0.090 0.000 1.164 15 D HN 0.285 nan 8.370 nan 0.000 0.462 16 P HA -0.111 nan 4.420 nan 0.000 0.219 16 P C 1.430 178.705 177.300 -0.041 0.000 1.146 16 P CA 0.958 64.025 63.100 -0.055 0.000 0.808 16 P CB 0.612 32.269 31.700 -0.072 0.000 0.779 17 I N -1.366 119.169 120.570 -0.059 0.000 2.962 17 I HA -0.018 4.166 4.170 0.022 0.000 0.246 17 I C 2.531 178.642 176.117 -0.010 0.000 1.091 17 I CA 0.237 61.522 61.300 -0.026 0.000 1.469 17 I CB -0.532 37.455 38.000 -0.021 0.000 1.324 17 I HN -0.253 nan 8.210 nan 0.000 0.461 18 L N 1.121 122.327 121.223 -0.028 0.000 2.265 18 L HA -0.098 4.255 4.340 0.022 0.000 0.215 18 L C 2.499 179.356 176.870 -0.021 0.000 1.117 18 L CA 1.320 56.148 54.840 -0.021 0.000 0.782 18 L CB -0.974 41.065 42.059 -0.034 0.000 0.914 18 L HN 0.365 nan 8.230 nan 0.000 0.441 19 G N -0.147 108.639 108.800 -0.022 0.000 2.471 19 G HA2 -0.195 3.779 3.960 0.022 0.000 0.219 19 G HA3 -0.195 3.779 3.960 0.022 0.000 0.219 19 G C 1.489 176.391 174.900 0.004 0.000 1.125 19 G CA 0.099 45.191 45.100 -0.013 0.000 0.775 19 G HN 0.120 nan 8.290 nan 0.000 0.548 20 L N 1.386 122.619 121.223 0.017 0.000 2.127 20 L HA 0.011 4.364 4.340 0.022 0.000 0.211 20 L C 3.197 180.049 176.870 -0.029 0.000 1.089 20 L CA 1.393 56.257 54.840 0.039 0.000 0.757 20 L CB -1.055 41.043 42.059 0.065 0.000 0.899 20 L HN 0.296 nan 8.230 nan 0.000 0.434 21 A N -0.629 122.169 122.820 -0.038 0.000 1.892 21 A HA -0.242 4.091 4.320 0.022 0.000 0.218 21 A C 2.033 179.575 177.584 -0.070 0.000 1.188 21 A CA 2.081 54.080 52.037 -0.063 0.000 0.631 21 A CB -0.608 18.366 19.000 -0.043 0.000 0.822 21 A HN 0.449 nan 8.150 nan 0.000 0.447 22 D N -0.542 119.833 120.400 -0.043 0.000 2.149 22 D HA -0.066 4.587 4.640 0.022 0.000 0.201 22 D C 1.815 178.096 176.300 -0.032 0.000 0.972 22 D CA 0.828 54.808 54.000 -0.034 0.000 0.835 22 D CB -0.283 40.505 40.800 -0.020 0.000 0.966 22 D HN 0.284 nan 8.370 nan 0.000 0.476 23 L N 0.681 121.895 121.223 -0.015 0.000 2.017 23 L HA -0.121 4.232 4.340 0.022 0.000 0.208 23 L C 2.518 179.345 176.870 -0.072 0.000 1.073 23 L CA 1.081 55.941 54.840 0.034 0.000 0.745 23 L CB -0.718 41.440 42.059 0.165 0.000 0.894 23 L HN 0.022 nan 8.230 nan 0.000 0.432 24 L N -1.239 119.816 121.223 -0.279 0.000 2.012 24 L HA -0.225 4.128 4.340 0.022 0.000 0.210 24 L C 2.706 179.449 176.870 -0.212 0.000 1.073 24 L CA 1.205 55.766 54.840 -0.464 0.000 0.748 24 L CB -0.475 41.298 42.059 -0.476 0.000 0.891 24 L HN 0.207 nan 8.230 nan 0.000 0.431 25 R N -0.062 120.359 120.500 -0.131 0.000 2.241 25 R HA -0.118 4.236 4.340 0.022 0.000 0.224 25 R C 1.803 178.076 176.300 -0.045 0.000 1.101 25 R CA 1.166 57.220 56.100 -0.076 0.000 0.995 25 R CB -0.047 30.218 30.300 -0.057 0.000 0.870 25 R HN 0.386 nan 8.270 nan 0.000 0.463 26 A N -0.147 122.653 122.820 -0.034 0.000 2.169 26 A HA -0.005 4.329 4.320 0.022 0.000 0.210 26 A C 0.297 177.888 177.584 0.012 0.000 1.168 26 A CA -0.130 51.904 52.037 -0.005 0.000 0.813 26 A CB 0.160 19.165 19.000 0.008 0.000 0.861 26 A HN 0.139 nan 8.150 nan 0.000 0.481 27 D N 0.199 120.609 120.400 0.016 0.000 2.317 27 D HA 0.307 4.961 4.640 0.022 0.000 0.252 27 D C 0.572 176.890 176.300 0.030 0.000 1.174 27 D CA 0.090 54.123 54.000 0.055 0.000 0.866 27 D CB 1.054 41.934 40.800 0.133 0.000 1.127 27 D HN 0.263 nan 8.370 nan 0.000 0.467 28 E N 1.807 122.026 120.200 0.033 0.000 2.385 28 E HA 0.054 4.417 4.350 0.022 0.000 0.194 28 E C 0.209 176.826 176.600 0.028 0.000 1.013 28 E CA 0.157 56.570 56.400 0.022 0.000 0.866 28 E CB 0.265 29.974 29.700 0.016 0.000 0.832 28 E HN 0.334 nan 8.360 nan 0.000 0.500 29 R N 1.222 121.749 120.500 0.045 0.000 2.484 29 R HA -0.007 4.346 4.340 0.022 0.000 0.293 29 R C -1.753 174.576 176.300 0.049 0.000 1.023 29 R CA -0.832 55.297 56.100 0.049 0.000 1.037 29 R CB 0.080 30.419 30.300 0.066 0.000 0.951 29 R HN 0.013 nan 8.270 nan 0.000 0.418 30 P HA -0.101 nan 4.420 nan 0.000 0.216 30 P C 0.842 178.169 177.300 0.044 0.000 1.153 30 P CA 1.018 64.138 63.100 0.033 0.000 0.848 30 P CB 0.250 31.966 31.700 0.027 0.000 0.787 31 G N 0.158 108.992 108.800 0.057 0.000 3.414 31 G HA2 -0.014 3.959 3.960 0.022 0.000 0.258 31 G HA3 -0.014 3.959 3.960 0.022 0.000 0.258 31 G C -0.041 174.917 174.900 0.097 0.000 1.348 31 G CA -0.257 44.884 45.100 0.069 0.000 1.319 31 G HN 0.243 nan 8.290 nan 0.000 0.555 32 K N 0.703 121.165 120.400 0.103 0.000 2.379 32 K HA 0.246 4.579 4.320 0.022 0.000 0.284 32 K C -0.192 176.486 176.600 0.131 0.000 1.044 32 K CA 0.201 56.583 56.287 0.159 0.000 0.974 32 K CB 1.277 33.849 32.500 0.119 0.000 0.962 32 K HN 0.167 nan 8.250 nan 0.000 0.474 33 I N 2.745 123.423 120.570 0.181 0.000 2.328 33 I HA 0.044 4.227 4.170 0.022 0.000 0.287 33 I C -0.199 176.020 176.117 0.170 0.000 1.012 33 I CA -0.729 60.649 61.300 0.130 0.000 1.195 33 I CB 1.144 39.209 38.000 0.107 0.000 1.350 33 I HN 0.517 nan 8.210 nan 0.000 0.464 34 D N 8.038 128.493 120.400 0.092 0.000 2.380 34 D HA 0.306 4.959 4.640 0.022 0.000 0.230 34 D C -0.058 176.285 176.300 0.071 0.000 1.154 34 D CA -0.055 53.992 54.000 0.079 0.000 0.859 34 D CB 0.802 41.593 40.800 -0.015 0.000 1.045 34 D HN 0.442 nan 8.370 nan 0.000 0.495 35 L N 3.334 124.624 121.223 0.112 0.000 3.218 35 L HA 0.417 4.770 4.340 0.022 0.000 0.279 35 L C 1.512 178.459 176.870 0.128 0.000 1.287 35 L CA -0.560 54.338 54.840 0.095 0.000 1.024 35 L CB 1.028 43.135 42.059 0.080 0.000 1.409 35 L HN 0.456 nan 8.230 nan 0.000 0.580 36 G N 0.189 109.061 108.800 0.121 0.000 2.558 36 G HA2 0.133 4.106 3.960 0.022 0.000 0.218 36 G HA3 0.133 4.106 3.960 0.022 0.000 0.218 36 G C 0.569 175.543 174.900 0.124 0.000 1.567 36 G CA -0.356 44.812 45.100 0.113 0.000 0.950 36 G HN 0.078 nan 8.290 nan 0.000 0.517 37 M N 1.835 121.493 119.600 0.096 0.000 2.251 37 M HA 0.230 4.723 4.480 0.022 0.000 0.343 37 M C 1.108 177.520 176.300 0.188 0.000 1.245 37 M CA 0.119 55.490 55.300 0.118 0.000 1.061 37 M CB 0.902 33.530 32.600 0.048 0.000 1.723 37 M HN 0.218 nan 8.290 nan 0.000 0.449 38 G N 3.957 112.955 108.800 0.330 0.000 2.924 38 G HA2 0.404 4.377 3.960 0.022 0.000 0.273 38 G HA3 0.404 4.377 3.960 0.022 0.000 0.273 38 G C -0.291 174.702 174.900 0.155 0.000 0.734 38 G CA -0.409 44.916 45.100 0.374 0.000 2.065 38 G HN 0.667 nan 8.290 nan 0.000 0.580 39 V N 0.002 119.934 119.914 0.029 0.000 2.715 39 V HA 0.681 4.814 4.120 0.022 0.000 0.310 39 V C -0.582 175.553 176.094 0.067 0.000 1.054 39 V CA -1.998 60.255 62.300 -0.079 0.000 0.928 39 V CB 1.502 33.067 31.823 -0.430 0.000 1.007 39 V HN 0.348 nan 8.190 nan 0.000 0.437 40 Y N 3.870 124.240 120.300 0.117 0.000 2.359 40 Y HA 0.467 5.030 4.550 0.021 0.000 0.330 40 Y C 0.341 176.297 175.900 0.094 0.000 1.143 40 Y CA 0.075 58.248 58.100 0.121 0.000 1.318 40 Y CB 0.804 39.408 38.460 0.240 0.000 1.234 40 Y HN 0.861 nan 8.280 nan 0.000 0.522 41 N N 4.719 123.004 118.700 -0.690 0.000 2.272 41 N HA 0.161 4.914 4.740 0.022 0.000 0.305 41 N C -1.422 173.617 175.510 -0.784 0.000 1.103 41 N CA -0.802 51.956 53.050 -0.488 0.000 0.791 41 N CB 1.576 39.901 38.487 -0.270 0.000 1.356 41 N HN 0.692 nan 8.380 nan 0.000 0.486 42 D N 0.135 120.338 120.400 -0.328 0.000 2.506 42 D HA 0.095 4.749 4.640 0.022 0.000 0.272 42 D C 0.913 177.149 176.300 -0.106 0.000 1.214 42 D CA -0.182 53.728 54.000 -0.151 0.000 1.067 42 D CB 0.573 41.408 40.800 0.058 0.000 1.117 42 D HN 0.290 nan 8.370 nan 0.000 0.578 43 E N -0.880 119.303 120.200 -0.027 0.000 2.219 43 E HA -0.148 4.216 4.350 0.022 0.000 0.198 43 E C 1.634 178.223 176.600 -0.019 0.000 0.998 43 E CA 1.895 58.285 56.400 -0.018 0.000 0.818 43 E CB -0.558 29.148 29.700 0.010 0.000 0.741 43 E HN 0.746 nan 8.360 nan 0.000 0.477 44 T N -2.956 111.590 114.554 -0.013 0.000 3.169 44 T HA 0.301 4.665 4.350 0.022 0.000 0.250 44 T C 1.330 176.019 174.700 -0.018 0.000 1.111 44 T CA 0.503 62.599 62.100 -0.007 0.000 1.010 44 T CB 0.232 69.104 68.868 0.007 0.000 0.984 44 T HN 0.212 nan 8.240 nan 0.000 0.537 45 G N 1.378 110.153 108.800 -0.043 0.000 2.176 45 G HA2 -0.241 3.733 3.960 0.022 0.000 0.252 45 G HA3 -0.241 3.733 3.960 0.022 0.000 0.252 45 G C -0.221 174.655 174.900 -0.041 0.000 1.024 45 G CA 0.157 45.226 45.100 -0.051 0.000 0.755 45 G HN 0.680 nan 8.290 nan 0.000 0.507 46 K N -0.300 120.082 120.400 -0.031 0.000 2.267 46 K HA 0.652 4.986 4.320 0.022 0.000 0.246 46 K C 0.019 176.626 176.600 0.012 0.000 0.954 46 K CA -0.265 56.020 56.287 -0.003 0.000 0.824 46 K CB 1.922 34.435 32.500 0.021 0.000 1.167 46 K HN 0.208 nan 8.250 nan 0.000 0.431 47 T N 1.765 116.344 114.554 0.043 0.000 3.029 47 T HA 0.318 4.681 4.350 0.022 0.000 0.346 47 T C -1.884 172.916 174.700 0.166 0.000 1.211 47 T CA -1.595 60.576 62.100 0.119 0.000 1.009 47 T CB 0.108 69.022 68.868 0.076 0.000 1.084 47 T HN 0.345 nan 8.240 nan 0.000 0.536 48 P HA 0.386 nan 4.420 nan 0.000 0.278 48 P C -0.275 177.141 177.300 0.193 0.000 1.258 48 P CA -0.650 62.549 63.100 0.166 0.000 0.811 48 P CB 1.342 33.130 31.700 0.147 0.000 1.063 49 V N 2.748 122.753 119.914 0.152 0.000 2.465 49 V HA 0.204 4.337 4.120 0.022 0.000 0.279 49 V C 0.261 176.433 176.094 0.129 0.000 1.045 49 V CA -0.771 61.617 62.300 0.147 0.000 0.938 49 V CB -0.187 31.710 31.823 0.124 0.000 0.986 49 V HN 0.340 nan 8.190 nan 0.000 0.467 50 L N 5.674 126.977 121.223 0.133 0.000 2.499 50 L HA 0.089 4.443 4.340 0.022 0.000 0.281 50 L C 1.850 178.779 176.870 0.098 0.000 1.234 50 L CA 0.260 55.169 54.840 0.115 0.000 0.839 50 L CB 0.143 42.283 42.059 0.135 0.000 1.104 50 L HN 0.785 nan 8.230 nan 0.000 0.500 51 T N -0.272 114.330 114.554 0.080 0.000 2.777 51 T HA -0.140 4.223 4.350 0.022 0.000 0.266 51 T C 1.949 176.691 174.700 0.071 0.000 1.040 51 T CA 1.600 63.740 62.100 0.067 0.000 1.141 51 T CB -0.065 68.832 68.868 0.050 0.000 0.868 51 T HN 0.868 nan 8.240 nan 0.000 0.444 52 S N 1.517 117.270 115.700 0.088 0.000 2.370 52 S HA -0.107 4.376 4.470 0.022 0.000 0.226 52 S C 2.176 176.825 174.600 0.082 0.000 1.033 52 S CA 1.019 59.276 58.200 0.096 0.000 1.011 52 S CB -1.040 62.258 63.200 0.163 0.000 0.852 52 S HN 0.295 nan 8.310 nan 0.000 0.457 53 V N 2.440 122.414 119.914 0.099 0.000 2.295 53 V HA -0.150 3.983 4.120 0.022 0.000 0.246 53 V C 2.864 178.994 176.094 0.060 0.000 1.049 53 V CA 1.840 64.185 62.300 0.076 0.000 1.024 53 V CB -0.628 31.257 31.823 0.103 0.000 0.648 53 V HN 0.399 nan 8.190 nan 0.000 0.447 54 K N 0.323 120.766 120.400 0.072 0.000 2.063 54 K HA -0.188 4.145 4.320 0.022 0.000 0.208 54 K C 2.147 178.786 176.600 0.065 0.000 1.048 54 K CA 1.517 57.846 56.287 0.070 0.000 0.928 54 K CB -0.370 32.170 32.500 0.067 0.000 0.713 54 K HN 0.478 nan 8.250 nan 0.000 0.442 55 K N 0.223 120.658 120.400 0.059 0.000 2.057 55 K HA -0.082 4.252 4.320 0.022 0.000 0.207 55 K C 2.202 178.844 176.600 0.069 0.000 1.049 55 K CA 1.235 57.558 56.287 0.059 0.000 0.931 55 K CB -0.142 32.385 32.500 0.046 0.000 0.714 55 K HN 0.100 nan 8.250 nan 0.000 0.440 56 A N 1.693 124.538 122.820 0.041 0.000 1.898 56 A HA -0.195 4.138 4.320 0.022 0.000 0.216 56 A C 1.886 179.512 177.584 0.071 0.000 1.181 56 A CA 1.423 53.475 52.037 0.025 0.000 0.620 56 A CB -0.347 18.624 19.000 -0.047 0.000 0.819 56 A HN 0.284 nan 8.150 nan 0.000 0.442 57 E N -0.875 119.357 120.200 0.053 0.000 2.153 57 E HA -0.252 4.112 4.350 0.022 0.000 0.194 57 E C 2.195 178.856 176.600 0.103 0.000 0.988 57 E CA 1.331 57.783 56.400 0.086 0.000 0.811 57 E CB -0.093 29.681 29.700 0.124 0.000 0.746 57 E HN 0.773 nan 8.360 nan 0.000 0.466 58 Q N 0.413 120.271 119.800 0.097 0.000 2.050 58 Q HA -0.237 4.117 4.340 0.022 0.000 0.202 58 Q C 1.932 177.987 176.000 0.092 0.000 0.980 58 Q CA 1.597 57.450 55.803 0.082 0.000 0.840 58 Q CB -0.575 28.210 28.738 0.079 0.000 0.898 58 Q HN 0.412 nan 8.270 nan 0.000 0.424 59 Y N 0.303 120.603 120.300 0.000 0.000 2.165 59 Y HA -0.196 4.364 4.550 0.017 0.000 0.286 59 Y C 1.675 177.569 175.900 -0.010 0.000 1.155 59 Y CA 1.911 60.007 58.100 -0.007 0.000 1.164 59 Y CB -0.127 38.324 38.460 -0.015 0.000 0.978 59 Y HN 0.182 nan 8.280 nan 0.000 0.513 60 L N -0.370 120.921 121.223 0.114 0.000 2.046 60 L HA -0.240 4.113 4.340 0.022 0.000 0.208 60 L C 2.575 179.421 176.870 -0.040 0.000 1.077 60 L CA 1.056 55.910 54.840 0.024 0.000 0.747 60 L CB -0.736 41.364 42.059 0.068 0.000 0.896 60 L HN 0.349 nan 8.230 nan 0.000 0.432 61 L N 0.179 121.401 121.223 -0.002 0.000 2.127 61 L HA -0.231 4.122 4.340 0.022 0.000 0.211 61 L C 2.196 179.029 176.870 -0.061 0.000 1.089 61 L CA 1.921 56.753 54.840 -0.014 0.000 0.757 61 L CB -0.260 41.805 42.059 0.009 0.000 0.899 61 L HN 0.426 nan 8.230 nan 0.000 0.434 62 E N -0.745 119.389 120.200 -0.109 0.000 2.190 62 E HA -0.104 4.260 4.350 0.022 0.000 0.191 62 E C 1.422 177.901 176.600 -0.202 0.000 0.978 62 E CA 0.960 57.275 56.400 -0.140 0.000 0.839 62 E CB 0.142 29.761 29.700 -0.136 0.000 0.787 62 E HN 0.538 nan 8.360 nan 0.000 0.473 63 N N 0.229 118.735 118.700 -0.322 0.000 2.322 63 N HA 0.015 4.769 4.740 0.022 0.000 0.181 63 N C 0.368 175.769 175.510 -0.182 0.000 1.088 63 N CA 0.030 52.885 53.050 -0.325 0.000 0.885 63 N CB 0.558 38.664 38.487 -0.635 0.000 1.013 63 N HN 0.060 nan 8.380 nan 0.000 0.472 67 T N 0.206 114.740 114.554 -0.033 0.000 2.883 67 T HA 0.696 5.060 4.350 0.022 0.000 0.301 67 T C -1.358 173.314 174.700 -0.046 0.000 1.158 67 T CA -0.444 61.633 62.100 -0.037 0.000 1.007 67 T CB 2.218 71.068 68.868 -0.030 0.000 1.186 67 T HN 0.066 nan 8.240 nan 0.000 0.499 68 K N 2.006 122.366 120.400 -0.066 0.000 2.564 68 K HA 0.401 4.735 4.320 0.022 0.000 0.205 68 K C 0.243 176.757 176.600 -0.143 0.000 1.053 68 K CA -0.396 55.838 56.287 -0.089 0.000 1.072 68 K CB -0.120 32.324 32.500 -0.094 0.000 0.822 68 K HN 0.475 nan 8.250 nan 0.000 0.497 69 N N 0.471 119.103 118.700 -0.113 0.000 2.441 69 N HA -0.055 4.698 4.740 0.022 0.000 0.251 69 N C -0.658 174.787 175.510 -0.108 0.000 1.242 69 N CA 0.142 53.112 53.050 -0.133 0.000 0.898 69 N CB 0.261 38.727 38.487 -0.034 0.000 1.100 69 N HN -0.008 nan 8.380 nan 0.000 0.443 70 Y N 1.455 121.759 120.300 0.006 0.000 3.073 70 Y HA -0.154 4.412 4.550 0.026 0.000 0.343 70 Y C 1.403 177.310 175.900 0.012 0.000 1.274 70 Y CA 0.347 58.453 58.100 0.011 0.000 1.554 70 Y CB 0.232 38.699 38.460 0.012 0.000 1.250 70 Y HN 0.461 nan 8.280 nan 0.000 0.622 71 L N 2.265 123.605 121.223 0.196 0.000 2.558 71 L HA 0.257 4.610 4.340 0.022 0.000 0.225 71 L C 0.921 177.854 176.870 0.105 0.000 1.128 71 L CA 1.221 56.129 54.840 0.113 0.000 0.868 71 L CB -0.839 41.269 42.059 0.081 0.000 1.006 71 L HN 0.911 nan 8.230 nan 0.000 0.454 72 G N -0.885 107.981 108.800 0.111 0.000 3.019 72 G HA2 -0.191 3.782 3.960 0.022 0.000 0.686 72 G HA3 -0.191 3.782 3.960 0.022 0.000 0.686 72 G C 0.742 175.683 174.900 0.068 0.000 1.056 72 G CA -0.341 44.803 45.100 0.073 0.000 0.774 72 G HN -0.061 nan 8.290 nan 0.000 0.583 73 I N 1.810 122.396 120.570 0.027 0.000 2.141 73 I HA -0.265 3.919 4.170 0.022 0.000 0.243 73 I C 2.413 178.558 176.117 0.048 0.000 1.035 73 I CA 2.770 64.070 61.300 -0.000 0.000 1.302 73 I CB -1.042 36.913 38.000 -0.075 0.000 1.006 73 I HN 0.823 nan 8.210 nan 0.000 0.413 74 D N 0.133 120.583 120.400 0.083 0.000 2.349 74 D HA 0.249 4.903 4.640 0.022 0.000 0.224 74 D C 1.254 177.673 176.300 0.198 0.000 1.029 74 D CA 0.820 54.927 54.000 0.177 0.000 0.879 74 D CB -0.231 40.769 40.800 0.333 0.000 0.906 74 D HN 0.499 nan 8.370 nan 0.000 0.528 75 G N 0.779 109.667 108.800 0.146 0.000 2.584 75 G HA2 -0.235 3.738 3.960 0.022 0.000 0.229 75 G HA3 -0.235 3.738 3.960 0.022 0.000 0.229 75 G C -0.377 174.589 174.900 0.111 0.000 1.320 75 G CA -0.359 44.812 45.100 0.119 0.000 0.891 75 G HN 0.316 nan 8.290 nan 0.000 0.573 76 I N 2.597 123.217 120.570 0.083 0.000 2.494 76 I HA 0.125 4.309 4.170 0.022 0.000 0.289 76 I C -0.971 175.236 176.117 0.151 0.000 1.106 76 I CA -1.271 60.080 61.300 0.085 0.000 1.369 76 I CB 1.192 39.204 38.000 0.020 0.000 1.410 76 I HN 0.276 nan 8.210 nan 0.000 0.523 77 P HA -0.203 nan 4.420 nan 0.000 0.215 77 P C 1.070 178.412 177.300 0.070 0.000 1.157 77 P CA 1.417 64.569 63.100 0.085 0.000 0.874 77 P CB 0.223 31.958 31.700 0.059 0.000 0.790 78 E N -1.431 118.806 120.200 0.062 0.000 2.118 78 E HA -0.193 4.170 4.350 0.022 0.000 0.195 78 E C 1.773 178.398 176.600 0.043 0.000 0.992 78 E CA 0.912 57.333 56.400 0.034 0.000 0.804 78 E CB -1.206 28.507 29.700 0.021 0.000 0.741 78 E HN 0.270 nan 8.360 nan 0.000 0.458 79 F N 1.149 121.052 119.950 -0.077 0.000 2.102 79 F HA -0.071 4.471 4.527 0.025 0.000 0.298 79 F C 2.188 177.950 175.800 -0.064 0.000 1.105 79 F CA 1.894 59.828 58.000 -0.110 0.000 1.239 79 F CB -0.687 38.243 39.000 -0.116 0.000 0.991 79 F HN 0.042 nan 8.300 nan 0.000 0.474 80 G N -0.159 108.613 108.800 -0.047 0.000 2.418 80 G HA2 -0.309 3.665 3.960 0.022 0.000 0.217 80 G HA3 -0.309 3.665 3.960 0.022 0.000 0.217 80 G C 1.700 176.507 174.900 -0.155 0.000 1.158 80 G CA 0.854 45.870 45.100 -0.140 0.000 0.771 80 G HN 0.307 nan 8.290 nan 0.000 0.545 81 R N 0.135 120.580 120.500 -0.092 0.000 2.081 81 R HA -0.025 4.328 4.340 0.022 0.000 0.235 81 R C 2.547 178.783 176.300 -0.106 0.000 1.131 81 R CA 1.610 57.664 56.100 -0.076 0.000 0.960 81 R CB -1.279 28.995 30.300 -0.043 0.000 0.856 81 R HN 0.333 nan 8.270 nan 0.000 0.436 82 C N -0.211 119.004 119.300 -0.141 0.000 2.429 82 C HA -0.108 4.365 4.460 0.022 0.000 0.277 82 C C 2.739 177.616 174.990 -0.187 0.000 1.262 82 C CA 1.611 60.537 59.018 -0.154 0.000 1.733 82 C CB -1.260 26.372 27.740 -0.181 0.000 2.010 82 C HN 0.776 nan 8.230 nan 0.000 0.483 83 T N -1.053 113.331 114.554 -0.284 0.000 2.821 83 T HA -0.219 4.145 4.350 0.022 0.000 0.267 83 T C 1.614 176.153 174.700 -0.269 0.000 1.046 83 T CA 1.479 63.415 62.100 -0.272 0.000 1.139 83 T CB -0.462 68.173 68.868 -0.389 0.000 0.871 83 T HN 0.659 nan 8.240 nan 0.000 0.454 84 Q N 0.680 120.363 119.800 -0.195 0.000 2.119 84 Q HA -0.075 4.279 4.340 0.022 0.000 0.201 84 Q C 2.519 178.462 176.000 -0.096 0.000 0.972 84 Q CA 1.519 57.255 55.803 -0.111 0.000 0.847 84 Q CB -0.105 28.663 28.738 0.050 0.000 0.903 84 Q HN 0.711 nan 8.270 nan 0.000 0.433 85 E N 0.452 120.602 120.200 -0.083 0.000 2.106 85 E HA -0.134 4.229 4.350 0.022 0.000 0.192 85 E C 2.067 178.604 176.600 -0.104 0.000 0.984 85 E CA 0.561 56.927 56.400 -0.057 0.000 0.806 85 E CB 0.014 29.689 29.700 -0.041 0.000 0.750 85 E HN 0.332 nan 8.360 nan 0.000 0.458 86 L N 0.688 121.824 121.223 -0.145 0.000 2.046 86 L HA -0.200 4.153 4.340 0.022 0.000 0.208 86 L C 2.379 179.068 176.870 -0.301 0.000 1.077 86 L CA 0.999 55.748 54.840 -0.151 0.000 0.747 86 L CB -0.183 41.815 42.059 -0.101 0.000 0.896 86 L HN 0.192 nan 8.230 nan 0.000 0.432 87 L N -1.868 119.053 121.223 -0.502 0.000 2.068 87 L HA -0.140 4.213 4.340 0.022 0.000 0.204 87 L C 1.923 178.354 176.870 -0.732 0.000 1.076 87 L CA 1.114 55.451 54.840 -0.839 0.000 0.753 87 L CB -0.312 40.998 42.059 -1.249 0.000 0.910 87 L HN 0.146 nan 8.230 nan 0.000 0.439 88 F N -0.291 119.548 119.950 -0.185 0.000 2.721 88 F HA 0.438 4.979 4.527 0.023 0.000 0.301 88 F C 1.144 176.883 175.800 -0.102 0.000 1.096 88 F CA -0.126 57.789 58.000 -0.141 0.000 1.308 88 F CB -0.223 38.705 39.000 -0.120 0.000 1.086 88 F HN 0.052 nan 8.300 nan 0.000 0.587 89 G N 1.143 109.961 108.800 0.030 0.000 2.895 89 G HA2 -0.238 3.736 3.960 0.022 0.000 0.686 89 G HA3 -0.238 3.736 3.960 0.022 0.000 0.686 89 G C 0.419 175.333 174.900 0.024 0.000 1.108 89 G CA -0.286 44.824 45.100 0.016 0.000 0.761 89 G HN 0.209 nan 8.290 nan 0.000 0.611 90 K N 0.695 121.098 120.400 0.005 0.000 2.242 90 K HA -0.041 4.293 4.320 0.022 0.000 0.206 90 K C 1.939 178.541 176.600 0.004 0.000 1.045 90 K CA 3.073 59.361 56.287 0.002 0.000 0.930 90 K CB -0.375 32.124 32.500 -0.003 0.000 0.726 90 K HN 1.552 nan 8.250 nan 0.000 0.462 91 G N -0.080 108.724 108.800 0.005 0.000 4.144 91 G HA2 0.127 4.101 3.960 0.022 0.000 0.297 91 G HA3 0.127 4.101 3.960 0.022 0.000 0.297 91 G C -0.687 174.212 174.900 -0.003 0.000 1.090 91 G CA -0.146 44.953 45.100 -0.001 0.000 0.870 91 G HN 0.277 nan 8.290 nan 0.000 0.532 92 S N -0.062 115.643 115.700 0.008 0.000 2.568 92 S HA 0.421 4.904 4.470 0.022 0.000 0.282 92 S C 1.868 176.440 174.600 -0.046 0.000 1.338 92 S CA 0.361 58.556 58.200 -0.007 0.000 1.045 92 S CB 1.112 64.332 63.200 0.033 0.000 0.873 92 S HN 0.574 nan 8.310 nan 0.000 0.516 93 A N 4.672 127.451 122.820 -0.068 0.000 1.929 93 A HA 0.060 4.393 4.320 0.022 0.000 0.216 93 A C 2.081 179.596 177.584 -0.114 0.000 1.176 93 A CA 1.056 53.047 52.037 -0.077 0.000 0.628 93 A CB -0.714 18.244 19.000 -0.070 0.000 0.816 93 A HN 0.867 nan 8.150 nan 0.000 0.444 94 L N -0.544 120.564 121.223 -0.191 0.000 2.079 94 L HA -0.210 4.143 4.340 0.022 0.000 0.210 94 L C 2.437 179.193 176.870 -0.190 0.000 1.081 94 L CA 1.358 56.037 54.840 -0.269 0.000 0.752 94 L CB -0.694 41.014 42.059 -0.584 0.000 0.896 94 L HN 0.387 nan 8.230 nan 0.000 0.433 95 I N -0.238 120.251 120.570 -0.134 0.000 2.233 95 I HA -0.248 3.935 4.170 0.022 0.000 0.243 95 I C 2.153 178.235 176.117 -0.058 0.000 1.093 95 I CA 1.449 62.709 61.300 -0.068 0.000 1.380 95 I CB -0.441 37.549 38.000 -0.016 0.000 1.067 95 I HN 0.317 nan 8.210 nan 0.000 0.413 96 N N 0.752 119.420 118.700 -0.053 0.000 2.084 96 N HA -0.179 4.575 4.740 0.022 0.000 0.190 96 N C 0.790 176.273 175.510 -0.045 0.000 1.030 96 N CA 1.179 54.204 53.050 -0.042 0.000 0.849 96 N CB -0.009 38.457 38.487 -0.035 0.000 1.012 96 N HN 0.280 nan 8.380 nan 0.000 0.423 97 D N 0.840 121.206 120.400 -0.056 0.000 2.352 97 D HA 0.012 4.665 4.640 0.022 0.000 0.232 97 D C -0.060 176.207 176.300 -0.055 0.000 1.055 97 D CA 0.415 54.384 54.000 -0.051 0.000 0.891 97 D CB 0.054 40.821 40.800 -0.054 0.000 0.897 97 D HN 0.187 nan 8.370 nan 0.000 0.529 98 K N -0.253 120.109 120.400 -0.063 0.000 3.035 98 K HA -0.254 4.079 4.320 0.022 0.000 0.262 98 K C 0.778 177.330 176.600 -0.079 0.000 1.024 98 K CA 0.265 56.512 56.287 -0.067 0.000 0.748 98 K CB -1.180 31.291 32.500 -0.048 0.000 1.247 98 K HN 0.225 nan 8.250 nan 0.000 0.482 99 R N -0.124 120.316 120.500 -0.099 0.000 2.310 99 R HA 0.164 4.517 4.340 0.022 0.000 0.202 99 R C 0.567 176.793 176.300 -0.125 0.000 0.933 99 R CA 0.647 56.687 56.100 -0.100 0.000 1.054 99 R CB 0.564 30.799 30.300 -0.108 0.000 0.985 99 R HN 0.307 nan 8.270 nan 0.000 0.489 100 A N 1.140 123.872 122.820 -0.147 0.000 2.355 100 A HA 0.648 4.982 4.320 0.022 0.000 0.317 100 A C -0.738 176.727 177.584 -0.198 0.000 1.094 100 A CA -0.798 51.151 52.037 -0.147 0.000 0.764 100 A CB 1.133 20.061 19.000 -0.121 0.000 1.230 100 A HN -0.010 nan 8.150 nan 0.000 0.448 101 R N 1.389 121.705 120.500 -0.307 0.000 2.532 101 R HA 0.584 4.937 4.340 0.022 0.000 0.297 101 R C -1.255 174.696 176.300 -0.581 0.000 0.984 101 R CA -0.348 55.361 56.100 -0.651 0.000 0.884 101 R CB 1.576 31.133 30.300 -1.237 0.000 1.182 101 R HN 0.709 nan 8.270 nan 0.000 0.442 102 T N 1.224 115.550 114.554 -0.379 0.000 2.823 102 T HA 0.679 5.043 4.350 0.022 0.000 0.279 102 T C -0.475 174.328 174.700 0.171 0.000 0.998 102 T CA -0.584 61.473 62.100 -0.072 0.000 0.994 102 T CB 1.865 70.703 68.868 -0.050 0.000 0.960 102 T HN 0.581 nan 8.240 nan 0.000 0.448 103 A N 2.942 125.961 122.820 0.333 0.000 2.318 103 A HA 0.576 4.909 4.320 0.022 0.000 0.317 103 A C -0.012 177.746 177.584 0.291 0.000 1.159 103 A CA -0.755 51.515 52.037 0.388 0.000 0.799 103 A CB 0.872 20.085 19.000 0.355 0.000 1.194 103 A HN 0.797 nan 8.150 nan 0.000 0.479 104 Q N 1.671 121.660 119.800 0.315 0.000 2.337 104 Q HA 0.405 4.758 4.340 0.022 0.000 0.270 104 Q C 0.011 176.151 176.000 0.233 0.000 1.002 104 Q CA 0.591 56.605 55.803 0.351 0.000 0.888 104 Q CB 0.487 29.377 28.738 0.254 0.000 1.222 104 Q HN 0.843 nan 8.270 nan 0.000 0.400 105 T N 0.675 115.340 114.554 0.184 0.000 2.887 105 T HA 0.553 4.916 4.350 0.022 0.000 0.292 105 T C -2.745 171.929 174.700 -0.044 0.000 1.087 105 T CA -2.196 59.960 62.100 0.093 0.000 1.009 105 T CB 1.709 70.659 68.868 0.138 0.000 1.203 105 T HN 0.410 nan 8.240 nan 0.000 0.518 106 P HA 0.438 nan 4.420 nan 0.000 0.244 106 P C 0.628 177.883 177.300 -0.076 0.000 1.769 106 P CA 0.924 63.904 63.100 -0.200 0.000 1.102 106 P CB -0.257 31.221 31.700 -0.370 0.000 1.937 107 G N 1.969 110.760 108.800 -0.015 0.000 2.795 107 G HA2 -0.103 3.870 3.960 0.022 0.000 0.664 107 G HA3 -0.103 3.870 3.960 0.022 0.000 0.664 107 G C 1.017 175.937 174.900 0.033 0.000 1.381 107 G CA -0.513 44.599 45.100 0.020 0.000 0.853 107 G HN 0.414 nan 8.290 nan 0.000 0.545 108 G N -1.406 107.409 108.800 0.026 0.000 2.422 108 G HA2 0.114 4.088 3.960 0.022 0.000 0.218 108 G HA3 0.114 4.088 3.960 0.022 0.000 0.218 108 G C 1.806 176.752 174.900 0.078 0.000 1.140 108 G CA 2.327 47.443 45.100 0.027 0.000 0.775 108 G HN 1.218 nan 8.290 nan 0.000 0.545 109 T N 0.965 115.580 114.554 0.101 0.000 2.777 109 T HA -0.019 4.344 4.350 0.022 0.000 0.266 109 T C 2.518 177.257 174.700 0.066 0.000 1.040 109 T CA 1.272 63.446 62.100 0.123 0.000 1.141 109 T CB -0.460 68.482 68.868 0.124 0.000 0.868 109 T HN 0.327 nan 8.240 nan 0.000 0.444 110 G N 1.105 109.932 108.800 0.046 0.000 2.432 110 G HA2 -0.049 3.925 3.960 0.022 0.000 0.219 110 G HA3 -0.049 3.925 3.960 0.022 0.000 0.219 110 G C 1.788 176.747 174.900 0.099 0.000 1.135 110 G CA 0.887 46.015 45.100 0.047 0.000 0.767 110 G HN 0.579 nan 8.290 nan 0.000 0.550 111 A N 0.597 123.476 122.820 0.098 0.000 1.898 111 A HA 0.135 4.469 4.320 0.022 0.000 0.216 111 A C 2.406 180.070 177.584 0.133 0.000 1.181 111 A CA 1.141 53.253 52.037 0.124 0.000 0.620 111 A CB -0.384 18.683 19.000 0.112 0.000 0.819 111 A HN 0.345 nan 8.150 nan 0.000 0.442 112 L N -1.055 120.239 121.223 0.118 0.000 2.131 112 L HA -0.175 4.178 4.340 0.022 0.000 0.210 112 L C 2.738 179.614 176.870 0.010 0.000 1.092 112 L CA 1.582 56.482 54.840 0.101 0.000 0.759 112 L CB -0.381 41.720 42.059 0.070 0.000 0.903 112 L HN 0.381 nan 8.230 nan 0.000 0.435 113 R N 0.683 121.188 120.500 0.009 0.000 2.062 113 R HA -0.124 4.230 4.340 0.022 0.000 0.229 113 R C 2.187 178.541 176.300 0.090 0.000 1.128 113 R CA 2.038 58.143 56.100 0.008 0.000 0.960 113 R CB -0.913 29.402 30.300 0.025 0.000 0.855 113 R HN 0.313 nan 8.270 nan 0.000 0.432 114 V N -1.007 118.987 119.914 0.133 0.000 2.626 114 V HA 0.027 4.160 4.120 0.022 0.000 0.252 114 V C 2.057 178.271 176.094 0.199 0.000 1.067 114 V CA 1.708 64.099 62.300 0.151 0.000 1.081 114 V CB -0.998 30.915 31.823 0.150 0.000 0.686 114 V HN 0.327 nan 8.190 nan 0.000 0.468 115 A N 0.737 123.685 122.820 0.213 0.000 1.898 115 A HA 0.178 4.511 4.320 0.022 0.000 0.216 115 A C 2.526 180.333 177.584 0.372 0.000 1.181 115 A CA 2.095 54.308 52.037 0.293 0.000 0.620 115 A CB -1.098 18.073 19.000 0.284 0.000 0.819 115 A HN 0.967 nan 8.150 nan 0.000 0.442 116 A N 0.111 123.120 122.820 0.315 0.000 1.902 116 A HA -0.187 4.147 4.320 0.022 0.000 0.217 116 A C 1.787 179.498 177.584 0.213 0.000 1.181 116 A CA 1.933 54.161 52.037 0.319 0.000 0.623 116 A CB -0.592 18.538 19.000 0.217 0.000 0.818 116 A HN 0.450 nan 8.150 nan 0.000 0.443 117 D N -1.058 119.443 120.400 0.169 0.000 2.117 117 D HA -0.128 4.525 4.640 0.022 0.000 0.197 117 D C 1.634 178.014 176.300 0.134 0.000 0.987 117 D CA 1.342 55.414 54.000 0.120 0.000 0.829 117 D CB -0.510 40.347 40.800 0.095 0.000 0.961 117 D HN 0.469 nan 8.370 nan 0.000 0.460 118 F N 1.637 121.629 119.950 0.069 0.000 2.065 118 F HA -0.201 4.339 4.527 0.023 0.000 0.298 118 F C 2.124 177.970 175.800 0.077 0.000 1.112 118 F CA 1.381 59.421 58.000 0.066 0.000 1.212 118 F CB -0.493 38.558 39.000 0.086 0.000 0.975 118 F HN -0.111 nan 8.300 nan 0.000 0.476 119 L N 0.181 121.411 121.223 0.012 0.000 2.012 119 L HA -0.226 4.128 4.340 0.022 0.000 0.210 119 L C 2.874 179.685 176.870 -0.098 0.000 1.073 119 L CA 1.350 56.142 54.840 -0.079 0.000 0.748 119 L CB -1.389 40.756 42.059 0.144 0.000 0.891 119 L HN 0.314 nan 8.230 nan 0.000 0.431 120 A N -0.159 122.653 122.820 -0.013 0.000 1.933 120 A HA -0.251 4.083 4.320 0.022 0.000 0.218 120 A C 2.411 179.964 177.584 -0.051 0.000 1.175 120 A CA 2.082 54.112 52.037 -0.012 0.000 0.628 120 A CB -0.366 18.651 19.000 0.027 0.000 0.814 120 A HN 0.379 nan 8.150 nan 0.000 0.444 121 K N -1.310 119.040 120.400 -0.083 0.000 2.284 121 K HA 0.043 4.376 4.320 0.022 0.000 0.198 121 K C 0.498 177.019 176.600 -0.131 0.000 1.048 121 K CA 0.781 57.018 56.287 -0.084 0.000 0.987 121 K CB 0.093 32.559 32.500 -0.057 0.000 0.800 121 K HN 0.442 nan 8.250 nan 0.000 0.486 122 N N 0.254 118.803 118.700 -0.251 0.000 2.171 122 N HA 0.067 4.820 4.740 0.022 0.000 0.212 122 N C -0.622 174.738 175.510 -0.250 0.000 1.184 122 N CA 0.149 53.032 53.050 -0.278 0.000 0.888 122 N CB 1.640 39.870 38.487 -0.427 0.000 1.038 122 N HN -0.012 nan 8.380 nan 0.000 0.517 123 T N -0.546 113.885 114.554 -0.205 0.000 2.865 123 T HA 0.184 4.547 4.350 0.022 0.000 0.294 123 T C 0.764 175.434 174.700 -0.050 0.000 1.119 123 T CA -0.563 61.469 62.100 -0.114 0.000 1.007 123 T CB 1.944 70.743 68.868 -0.116 0.000 1.225 123 T HN 0.007 nan 8.240 nan 0.000 0.515 124 S N -0.215 115.480 115.700 -0.009 0.000 2.660 124 S HA 0.202 4.685 4.470 0.022 0.000 0.227 124 S C 0.483 175.097 174.600 0.024 0.000 0.948 124 S CA -0.460 57.746 58.200 0.009 0.000 0.948 124 S CB -0.493 62.720 63.200 0.021 0.000 0.779 124 S HN 0.438 nan 8.310 nan 0.000 0.487 125 V N 3.492 123.421 119.914 0.024 0.000 2.485 125 V HA 0.259 4.392 4.120 0.022 0.000 0.287 125 V C 0.724 176.831 176.094 0.021 0.000 1.022 125 V CA 0.048 62.370 62.300 0.038 0.000 1.067 125 V CB -0.027 31.822 31.823 0.044 0.000 0.967 125 V HN 0.457 nan 8.190 nan 0.000 0.479 134 W N 3.306 124.440 121.300 -0.277 0.000 2.391 134 W HA 0.798 5.472 4.660 0.022 0.000 0.311 134 W C -0.292 176.147 176.519 -0.133 0.000 1.087 134 W CA -0.483 56.756 57.345 -0.176 0.000 1.209 134 W CB 1.811 31.144 29.460 -0.211 0.000 1.273 134 W HN 0.396 nan 8.180 nan 0.000 0.482 135 V N 2.947 122.876 119.914 0.024 0.000 2.914 135 V HA 0.471 4.605 4.120 0.022 0.000 0.314 135 V C 0.193 175.898 176.094 -0.649 0.000 1.084 135 V CA -1.085 61.104 62.300 -0.184 0.000 0.963 135 V CB 2.055 33.805 31.823 -0.122 0.000 1.025 135 V HN 0.553 nan 8.190 nan 0.000 0.432 136 S N 2.420 117.573 115.700 -0.911 0.000 2.614 136 S HA 0.443 4.927 4.470 0.022 0.000 0.265 136 S C -0.373 173.967 174.600 -0.434 0.000 1.303 136 S CA -0.378 57.158 58.200 -1.107 0.000 1.000 136 S CB 0.688 63.363 63.200 -0.875 0.000 0.935 136 S HN 0.853 nan 8.310 nan 0.000 0.551 137 N N 0.680 119.212 118.700 -0.280 0.000 2.500 137 N HA 0.489 5.242 4.740 0.022 0.000 0.291 137 N C -3.208 172.312 175.510 0.017 0.000 1.092 137 N CA -1.450 51.541 53.050 -0.098 0.000 0.890 137 N CB 1.557 40.011 38.487 -0.055 0.000 1.466 137 N HN 0.365 nan 8.380 nan 0.000 0.507 138 P HA 0.296 nan 4.420 nan 0.000 0.269 138 P C -0.126 177.086 177.300 -0.148 0.000 1.215 138 P CA -0.162 62.886 63.100 -0.088 0.000 0.780 138 P CB 1.173 32.733 31.700 -0.233 0.000 0.898 139 G N -0.091 108.621 108.800 -0.148 0.000 2.846 139 G HA2 0.399 4.372 3.960 0.022 0.000 0.299 139 G HA3 0.399 4.372 3.960 0.022 0.000 0.299 139 G C -2.189 172.720 174.900 0.014 0.000 1.242 139 G CA -0.507 44.535 45.100 -0.097 0.000 0.800 139 G HN 0.431 nan 8.290 nan 0.000 0.538 140 W N 1.969 123.229 121.300 -0.065 0.000 2.294 140 W HA 0.604 5.277 4.660 0.022 0.000 0.314 140 W C -1.869 174.571 176.519 -0.132 0.000 1.044 140 W CA -2.527 54.724 57.345 -0.157 0.000 1.284 140 W CB 1.782 31.074 29.460 -0.280 0.000 1.231 140 W HN 0.321 nan 8.180 nan 0.000 0.419 141 P HA -0.254 nan 4.420 nan 0.000 0.218 141 P C 1.537 178.548 177.300 -0.482 0.000 1.154 141 P CA 2.886 65.779 63.100 -0.345 0.000 0.872 141 P CB 0.127 31.630 31.700 -0.328 0.000 0.790 142 T N -2.187 111.773 114.554 -0.988 0.000 2.803 142 T HA -0.211 4.153 4.350 0.022 0.000 0.269 142 T C 1.447 175.831 174.700 -0.526 0.000 1.052 142 T CA 1.485 63.001 62.100 -0.975 0.000 1.136 142 T CB -1.055 66.723 68.868 -1.817 0.000 0.864 142 T HN 0.400 nan 8.240 nan 0.000 0.467 143 H N 0.557 119.467 119.070 -0.266 0.000 2.319 143 H HA -0.032 4.537 4.556 0.022 0.000 0.299 143 H C 2.571 177.959 175.328 0.100 0.000 1.092 143 H CA 1.431 57.523 56.048 0.072 0.000 1.302 143 H CB 0.055 29.993 29.762 0.294 0.000 1.373 143 H HN 0.238 nan 8.280 nan 0.000 0.497 144 K N 0.433 120.918 120.400 0.142 0.000 2.026 144 K HA -0.132 4.202 4.320 0.022 0.000 0.208 144 K C 2.372 178.974 176.600 0.004 0.000 1.048 144 K CA 1.475 57.813 56.287 0.085 0.000 0.929 144 K CB 0.100 32.601 32.500 0.001 0.000 0.713 144 K HN 0.118 nan 8.250 nan 0.000 0.439 145 S N 0.505 116.148 115.700 -0.095 0.000 2.353 145 S HA -0.154 4.329 4.470 0.022 0.000 0.222 145 S C 2.008 176.526 174.600 -0.136 0.000 1.035 145 S CA 1.534 59.659 58.200 -0.124 0.000 1.025 145 S CB -0.390 62.701 63.200 -0.182 0.000 0.902 145 S HN 0.120 nan 8.310 nan 0.000 0.440 146 V N 1.282 121.060 119.914 -0.226 0.000 2.255 146 V HA -0.200 3.933 4.120 0.022 0.000 0.247 146 V C 2.048 177.944 176.094 -0.329 0.000 1.051 146 V CA 1.931 64.031 62.300 -0.333 0.000 1.018 146 V CB -0.916 30.598 31.823 -0.515 0.000 0.641 146 V HN 0.399 nan 8.190 nan 0.000 0.445 147 F N 0.479 120.435 119.950 0.011 0.000 2.186 147 F HA -0.066 4.474 4.527 0.023 0.000 0.299 147 F C 2.209 177.998 175.800 -0.019 0.000 1.090 147 F CA 1.494 59.496 58.000 0.003 0.000 1.307 147 F CB -1.038 37.959 39.000 -0.006 0.000 1.019 147 F HN 0.189 nan 8.300 nan 0.000 0.489 148 N N -0.458 118.302 118.700 0.100 0.000 2.188 148 N HA -0.144 4.609 4.740 0.022 0.000 0.184 148 N C 1.758 177.276 175.510 0.012 0.000 1.018 148 N CA 1.110 54.183 53.050 0.038 0.000 0.858 148 N CB -0.137 38.351 38.487 0.002 0.000 0.989 148 N HN 0.090 nan 8.380 nan 0.000 0.426 149 S N 0.222 115.915 115.700 -0.012 0.000 2.447 149 S HA -0.010 4.473 4.470 0.022 0.000 0.233 149 S C 1.768 176.367 174.600 -0.001 0.000 1.006 149 S CA 0.640 58.828 58.200 -0.020 0.000 0.957 149 S CB 0.056 63.230 63.200 -0.045 0.000 0.773 149 S HN 0.418 nan 8.310 nan 0.000 0.507 150 A N 0.213 123.045 122.820 0.021 0.000 2.218 150 A HA 0.526 4.859 4.320 0.022 0.000 0.209 150 A C 1.689 179.299 177.584 0.043 0.000 1.168 150 A CA 0.804 52.866 52.037 0.042 0.000 0.804 150 A CB -0.487 18.562 19.000 0.081 0.000 0.834 150 A HN 0.756 nan 8.150 nan 0.000 0.482 151 G N -1.801 107.020 108.800 0.036 0.000 2.194 151 G HA2 -0.167 3.807 3.960 0.022 0.000 0.236 151 G HA3 -0.167 3.807 3.960 0.022 0.000 0.236 151 G C 0.106 175.023 174.900 0.027 0.000 0.987 151 G CA 0.184 45.299 45.100 0.024 0.000 0.635 151 G HN 0.253 nan 8.290 nan 0.000 0.520 155 V N 3.735 123.548 119.914 -0.169 0.000 2.398 155 V HA 0.607 4.740 4.120 0.022 0.000 0.286 155 V C -0.106 175.777 176.094 -0.352 0.000 1.026 155 V CA -0.717 61.444 62.300 -0.230 0.000 0.868 155 V CB 1.260 33.024 31.823 -0.098 0.000 0.982 155 V HN 0.559 nan 8.190 nan 0.000 0.443 156 R N 3.120 123.262 120.500 -0.597 0.000 2.711 156 R HA 0.617 4.971 4.340 0.022 0.000 0.284 156 R C -0.596 175.413 176.300 -0.486 0.000 0.968 156 R CA -0.663 54.964 56.100 -0.789 0.000 0.924 156 R CB 2.393 31.624 30.300 -1.782 0.000 1.162 156 R HN 0.742 nan 8.270 nan 0.000 0.465 157 E N 1.889 121.952 120.200 -0.227 0.000 2.191 157 E HA 0.315 4.678 4.350 0.022 0.000 0.274 157 E C -0.921 175.816 176.600 0.229 0.000 0.948 157 E CA -0.769 55.607 56.400 -0.040 0.000 0.802 157 E CB 1.572 31.226 29.700 -0.077 0.000 1.137 157 E HN 0.443 nan 8.360 nan 0.000 0.397 158 Y N -0.404 120.009 120.300 0.188 0.000 2.468 158 Y HA 0.730 5.293 4.550 0.022 0.000 0.342 158 Y C -0.192 175.771 175.900 0.104 0.000 1.021 158 Y CA -1.625 56.569 58.100 0.157 0.000 1.079 158 Y CB 0.723 39.218 38.460 0.057 0.000 1.226 158 Y HN 0.523 nan 8.280 nan 0.000 0.460 159 A N 2.390 125.381 122.820 0.283 0.000 2.466 159 A HA 0.300 4.633 4.320 0.022 0.000 0.238 159 A C -0.598 177.177 177.584 0.318 0.000 1.074 159 A CA 0.531 52.690 52.037 0.203 0.000 0.774 159 A CB -0.186 18.887 19.000 0.122 0.000 1.015 159 A HN 1.110 nan 8.150 nan 0.000 0.498 160 Y N 0.156 120.505 120.300 0.082 0.000 2.840 160 Y HA 0.211 4.774 4.550 0.023 0.000 0.252 160 Y C -0.371 175.582 175.900 0.089 0.000 1.150 160 Y CA -0.004 58.139 58.100 0.071 0.000 1.193 160 Y CB 0.166 38.613 38.460 -0.021 0.000 1.386 160 Y HN 0.668 nan 8.280 nan 0.000 0.483 161 Y N 2.571 122.924 120.300 0.087 0.000 2.361 161 Y HA 0.446 5.010 4.550 0.023 0.000 0.332 161 Y C -0.750 175.141 175.900 -0.014 0.000 1.101 161 Y CA -1.258 56.857 58.100 0.026 0.000 1.137 161 Y CB 1.034 39.584 38.460 0.151 0.000 1.207 161 Y HN 0.098 nan 8.280 nan 0.000 0.463 162 D N 4.798 124.858 120.400 -0.566 0.000 2.485 162 D HA 0.336 4.989 4.640 0.022 0.000 0.229 162 D C 0.663 176.395 176.300 -0.946 0.000 1.101 162 D CA 0.292 53.969 54.000 -0.538 0.000 0.906 162 D CB 0.899 41.477 40.800 -0.369 0.000 1.019 162 D HN 0.796 nan 8.370 nan 0.000 0.516 163 A N 4.250 126.634 122.820 -0.727 0.000 1.859 163 A HA -0.214 4.119 4.320 0.022 0.000 0.218 163 A C 1.078 178.200 177.584 -0.770 0.000 1.209 163 A CA 1.454 53.117 52.037 -0.622 0.000 0.639 163 A CB -0.647 18.244 19.000 -0.183 0.000 0.835 163 A HN 0.685 nan 8.150 nan 0.000 0.450 164 E N -0.587 119.320 120.200 -0.489 0.000 2.222 164 E HA 0.265 4.628 4.350 0.022 0.000 0.312 164 E C -0.223 176.137 176.600 -0.399 0.000 1.263 164 E CA 0.088 56.241 56.400 -0.411 0.000 1.356 164 E CB -0.179 29.395 29.700 -0.210 0.000 1.180 164 E HN 0.507 nan 8.360 nan 0.000 0.494 165 N N 0.680 119.024 118.700 -0.594 0.000 2.466 165 N HA -0.112 4.642 4.740 0.022 0.000 0.331 165 N C -0.814 174.520 175.510 -0.294 0.000 1.149 165 N CA 0.363 53.217 53.050 -0.325 0.000 2.034 165 N CB -0.184 38.160 38.487 -0.238 0.000 2.182 165 N HN 0.537 nan 8.380 nan 0.000 1.142 166 H N 0.393 119.224 119.070 -0.399 0.000 2.756 166 H HA -0.122 4.447 4.556 0.022 0.000 0.315 166 H C -0.341 174.929 175.328 -0.098 0.000 1.210 166 H CA 1.475 57.327 56.048 -0.326 0.000 1.150 166 H CB -1.817 27.743 29.762 -0.336 0.000 1.463 166 H HN 0.441 nan 8.280 nan 0.000 0.427 167 T N -2.804 111.643 114.554 -0.177 0.000 2.812 167 T HA 0.498 4.862 4.350 0.022 0.000 0.294 167 T C -0.074 174.570 174.700 -0.094 0.000 1.159 167 T CA -1.263 60.812 62.100 -0.041 0.000 1.008 167 T CB 2.059 70.895 68.868 -0.054 0.000 1.289 167 T HN 0.238 nan 8.240 nan 0.000 0.514 168 L N 1.744 122.912 121.223 -0.092 0.000 2.433 168 L HA 0.256 4.609 4.340 0.022 0.000 0.275 168 L C -0.204 176.570 176.870 -0.160 0.000 1.128 168 L CA -0.153 54.546 54.840 -0.236 0.000 0.875 168 L CB 0.310 42.199 42.059 -0.282 0.000 1.171 168 L HN 0.744 nan 8.230 nan 0.000 0.463 169 D N 4.575 124.868 120.400 -0.179 0.000 2.551 169 D HA -0.069 4.584 4.640 0.022 0.000 0.223 169 D C 0.865 177.131 176.300 -0.056 0.000 1.144 169 D CA 0.043 53.986 54.000 -0.095 0.000 1.025 169 D CB 0.173 40.919 40.800 -0.090 0.000 1.085 169 D HN 0.503 nan 8.370 nan 0.000 0.506 170 F N 1.863 121.725 119.950 -0.147 0.000 2.171 170 F HA -0.166 4.374 4.527 0.022 0.000 0.300 170 F C 1.505 177.273 175.800 -0.054 0.000 1.090 170 F CA 1.437 59.370 58.000 -0.111 0.000 1.293 170 F CB 0.310 39.248 39.000 -0.103 0.000 1.013 170 F HN 0.227 nan 8.300 nan 0.000 0.486 171 D N -0.228 120.191 120.400 0.032 0.000 2.117 171 D HA -0.106 4.547 4.640 0.022 0.000 0.198 171 D C 2.334 178.586 176.300 -0.079 0.000 0.982 171 D CA 1.353 55.341 54.000 -0.020 0.000 0.828 171 D CB -0.338 40.477 40.800 0.025 0.000 0.967 171 D HN 0.298 nan 8.370 nan 0.000 0.464 172 A N 0.451 123.236 122.820 -0.058 0.000 1.933 172 A HA -0.115 4.218 4.320 0.022 0.000 0.218 172 A C 1.986 179.540 177.584 -0.051 0.000 1.175 172 A CA 0.846 52.860 52.037 -0.038 0.000 0.628 172 A CB -0.652 18.340 19.000 -0.014 0.000 0.814 172 A HN 0.256 nan 8.150 nan 0.000 0.444 173 L N 0.093 121.250 121.223 -0.112 0.000 2.012 173 L HA -0.119 4.234 4.340 0.022 0.000 0.210 173 L C 2.162 178.903 176.870 -0.214 0.000 1.073 173 L CA 1.873 56.640 54.840 -0.122 0.000 0.748 173 L CB -0.559 41.364 42.059 -0.227 0.000 0.891 173 L HN 0.437 nan 8.230 nan 0.000 0.431 174 I N -0.387 119.999 120.570 -0.307 0.000 2.353 174 I HA -0.226 3.957 4.170 0.022 0.000 0.248 174 I C 2.054 178.106 176.117 -0.110 0.000 1.119 174 I CA 0.776 61.947 61.300 -0.216 0.000 1.417 174 I CB -0.494 37.364 38.000 -0.236 0.000 1.078 174 I HN 0.363 nan 8.210 nan 0.000 0.421 175 N N 0.918 119.566 118.700 -0.087 0.000 2.104 175 N HA -0.166 4.588 4.740 0.022 0.000 0.190 175 N C 2.062 177.549 175.510 -0.039 0.000 1.024 175 N CA 1.984 55.009 53.050 -0.043 0.000 0.853 175 N CB -0.439 38.034 38.487 -0.024 0.000 1.008 175 N HN 0.395 nan 8.380 nan 0.000 0.424 176 S N 0.747 116.424 115.700 -0.037 0.000 2.387 176 S HA 0.040 4.524 4.470 0.022 0.000 0.226 176 S C 2.060 176.557 174.600 -0.171 0.000 1.026 176 S CA 0.420 58.613 58.200 -0.011 0.000 0.972 176 S CB -0.611 62.646 63.200 0.094 0.000 0.814 176 S HN 0.209 nan 8.310 nan 0.000 0.477 177 L N 1.671 122.726 121.223 -0.280 0.000 2.465 177 L HA 0.029 4.382 4.340 0.022 0.000 0.224 177 L C 1.891 178.570 176.870 -0.318 0.000 1.145 177 L CA 0.425 54.930 54.840 -0.559 0.000 0.834 177 L CB -0.656 41.052 42.059 -0.584 0.000 0.944 177 L HN 0.321 nan 8.230 nan 0.000 0.451 178 N N 0.468 119.097 118.700 -0.119 0.000 2.364 178 N HA -0.172 4.581 4.740 0.022 0.000 0.183 178 N C 1.475 176.957 175.510 -0.047 0.000 1.022 178 N CA 0.979 54.023 53.050 -0.009 0.000 0.883 178 N CB 0.021 38.507 38.487 -0.001 0.000 0.965 178 N HN 0.494 nan 8.380 nan 0.000 0.438 179 E N 0.384 120.488 120.200 -0.159 0.000 2.274 179 E HA 0.063 4.426 4.350 0.022 0.000 0.194 179 E C 0.457 176.975 176.600 -0.137 0.000 0.996 179 E CA 0.128 56.485 56.400 -0.073 0.000 0.840 179 E CB 0.114 29.866 29.700 0.088 0.000 0.772 179 E HN 0.234 nan 8.360 nan 0.000 0.491 180 A N 1.936 124.412 122.820 -0.573 0.000 2.451 180 A HA 0.070 4.404 4.320 0.022 0.000 0.266 180 A C 0.051 177.680 177.584 0.074 0.000 1.119 180 A CA -0.117 51.572 52.037 -0.579 0.000 0.786 180 A CB 0.205 18.285 19.000 -1.533 0.000 1.061 180 A HN 0.071 nan 8.150 nan 0.000 0.503 181 Q N 0.927 120.836 119.800 0.182 0.000 2.318 181 Q HA 0.533 4.887 4.340 0.022 0.000 0.222 181 Q C 0.380 176.556 176.000 0.293 0.000 1.003 181 Q CA -0.383 55.551 55.803 0.219 0.000 0.936 181 Q CB 1.030 29.876 28.738 0.180 0.000 1.204 181 Q HN 0.879 nan 8.270 nan 0.000 0.524 182 A N 0.086 123.032 122.820 0.210 0.000 2.440 182 A HA 0.470 4.803 4.320 0.022 0.000 0.251 182 A C 1.010 178.706 177.584 0.187 0.000 1.089 182 A CA 0.703 52.855 52.037 0.191 0.000 0.779 182 A CB -0.461 18.595 19.000 0.093 0.000 1.022 182 A HN 0.915 nan 8.150 nan 0.000 0.492 183 G N 1.930 110.854 108.800 0.206 0.000 2.279 183 G HA2 -0.218 3.755 3.960 0.022 0.000 0.223 183 G HA3 -0.218 3.755 3.960 0.022 0.000 0.223 183 G C -0.062 174.946 174.900 0.180 0.000 1.015 183 G CA 0.535 45.736 45.100 0.168 0.000 0.621 183 G HN 1.314 nan 8.290 nan 0.000 0.506 184 D N 0.836 121.366 120.400 0.218 0.000 2.312 184 D HA 0.539 5.192 4.640 0.022 0.000 0.248 184 D C 0.466 176.873 176.300 0.179 0.000 1.086 184 D CA -0.627 53.490 54.000 0.196 0.000 0.948 184 D CB 1.523 42.475 40.800 0.253 0.000 1.162 184 D HN 0.389 nan 8.370 nan 0.000 0.446 185 V N 0.797 120.780 119.914 0.116 0.000 2.649 185 V HA 0.341 4.474 4.120 0.022 0.000 0.292 185 V C 0.088 176.170 176.094 -0.020 0.000 1.055 185 V CA -0.691 61.635 62.300 0.043 0.000 1.023 185 V CB 1.372 33.161 31.823 -0.056 0.000 0.992 185 V HN 0.485 nan 8.190 nan 0.000 0.480 186 V N 5.586 125.430 119.914 -0.117 0.000 2.444 186 V HA 0.352 4.486 4.120 0.022 0.000 0.294 186 V C -0.391 175.431 176.094 -0.452 0.000 1.022 186 V CA -0.620 61.468 62.300 -0.353 0.000 0.850 186 V CB 1.758 33.201 31.823 -0.633 0.000 0.992 186 V HN 0.612 nan 8.190 nan 0.000 0.426 187 L N 5.937 126.898 121.223 -0.436 0.000 2.265 187 L HA 0.614 4.968 4.340 0.022 0.000 0.288 187 L C -1.199 175.386 176.870 -0.475 0.000 1.058 187 L CA 0.347 54.947 54.840 -0.400 0.000 0.809 187 L CB 0.687 42.521 42.059 -0.375 0.000 1.179 187 L HN 0.475 nan 8.230 nan 0.000 0.429 188 F N 3.537 123.317 119.950 -0.283 0.000 2.532 188 F HA 0.433 4.973 4.527 0.022 0.000 0.321 188 F C 0.594 176.350 175.800 -0.073 0.000 1.089 188 F CA -0.677 57.194 58.000 -0.214 0.000 0.926 188 F CB 1.262 39.815 39.000 -0.746 0.000 1.168 188 F HN 0.409 nan 8.300 nan 0.000 0.459 189 H N 1.754 120.972 119.070 0.247 0.000 2.620 189 H HA 0.152 4.722 4.556 0.022 0.000 0.313 189 H C 1.021 176.487 175.328 0.230 0.000 1.075 189 H CA 0.173 56.331 56.048 0.182 0.000 1.397 189 H CB 1.566 31.423 29.762 0.158 0.000 1.446 189 H HN 0.950 nan 8.280 nan 0.000 0.493 190 G N 3.105 111.913 108.800 0.014 0.000 2.476 190 G HA2 -0.217 3.756 3.960 0.022 0.000 0.218 190 G HA3 -0.217 3.756 3.960 0.022 0.000 0.218 190 G C 0.596 175.348 174.900 -0.246 0.000 1.164 190 G CA 1.298 46.061 45.100 -0.560 0.000 0.768 190 G HN 0.784 nan 8.290 nan 0.000 0.560 191 C N -5.595 113.635 119.300 -0.117 0.000 3.259 191 C HA 0.511 4.985 4.460 0.022 0.000 0.344 191 C C 0.482 175.570 174.990 0.163 0.000 1.401 191 C CA -0.909 58.188 59.018 0.132 0.000 1.219 191 C CB 0.642 28.447 27.740 0.110 0.000 1.521 191 C HN 0.981 nan 8.230 nan 0.000 0.455 192 C N 2.071 121.463 119.300 0.152 0.000 3.727 192 C HA -0.134 4.339 4.460 0.022 0.000 0.293 192 C C 0.642 175.645 174.990 0.022 0.000 1.339 192 C CA 1.183 60.216 59.018 0.025 0.000 2.150 192 C CB -3.345 24.298 27.740 -0.162 0.000 1.383 192 C HN 1.239 nan 8.230 nan 0.000 0.614 193 H N 1.855 120.941 119.070 0.027 0.000 3.231 193 H HA -0.040 4.530 4.556 0.023 0.000 0.280 193 H C 0.653 175.899 175.328 -0.136 0.000 0.901 193 H CA 1.135 57.125 56.048 -0.096 0.000 1.414 193 H CB 0.449 30.113 29.762 -0.164 0.000 1.433 193 H HN 0.662 nan 8.280 nan 0.000 0.549 194 N N 7.229 125.629 118.700 -0.501 0.000 2.422 194 N HA 0.079 4.833 4.740 0.022 0.000 0.264 194 N C -1.950 173.123 175.510 -0.728 0.000 1.063 194 N CA -1.954 50.880 53.050 -0.360 0.000 0.959 194 N CB 1.368 39.769 38.487 -0.144 0.000 1.087 194 N HN 0.468 nan 8.380 nan 0.000 0.483 195 P HA 0.090 nan 4.420 nan 0.000 0.281 195 P C 0.859 177.849 177.300 -0.517 0.000 1.291 195 P CA 0.310 63.055 63.100 -0.592 0.000 0.906 195 P CB 0.268 31.475 31.700 -0.821 0.000 1.388 196 T N -3.648 110.641 114.554 -0.442 0.000 2.915 196 T HA 0.059 4.422 4.350 0.022 0.000 0.269 196 T C 1.789 176.532 174.700 0.072 0.000 1.071 196 T CA 1.464 63.405 62.100 -0.265 0.000 1.132 196 T CB -1.469 67.228 68.868 -0.285 0.000 0.878 196 T HN 0.192 nan 8.240 nan 0.000 0.479 197 G N 1.271 110.148 108.800 0.129 0.000 2.189 197 G HA2 -0.202 3.772 3.960 0.022 0.000 0.267 197 G HA3 -0.202 3.772 3.960 0.022 0.000 0.267 197 G C 0.049 175.063 174.900 0.191 0.000 0.975 197 G CA 0.256 45.446 45.100 0.150 0.000 0.644 197 G HN 0.618 nan 8.290 nan 0.000 0.537 198 I N 1.625 122.329 120.570 0.223 0.000 2.321 198 I HA 0.449 4.632 4.170 0.022 0.000 0.291 198 I C -0.450 175.791 176.117 0.207 0.000 0.998 198 I CA -0.947 60.476 61.300 0.204 0.000 1.227 198 I CB 1.188 39.317 38.000 0.215 0.000 1.368 198 I HN -0.048 nan 8.210 nan 0.000 0.466 199 D N 7.660 128.162 120.400 0.169 0.000 2.299 199 D HA 0.507 5.160 4.640 0.022 0.000 0.243 199 D C -2.295 174.006 176.300 0.002 0.000 0.982 199 D CA -1.071 53.029 54.000 0.167 0.000 0.924 199 D CB 1.986 42.941 40.800 0.257 0.000 1.238 199 D HN 0.269 nan 8.370 nan 0.000 0.484 200 P HA 0.113 nan 4.420 nan 0.000 0.277 200 P C -0.035 177.098 177.300 -0.279 0.000 1.240 200 P CA -0.296 62.566 63.100 -0.396 0.000 0.798 200 P CB 0.521 31.757 31.700 -0.774 0.000 0.979 201 T N -0.746 113.712 114.554 -0.161 0.000 2.754 201 T HA 0.084 4.448 4.350 0.022 0.000 0.286 201 T C 1.300 176.085 174.700 0.142 0.000 0.997 201 T CA -0.693 61.416 62.100 0.014 0.000 0.982 201 T CB 0.216 69.066 68.868 -0.030 0.000 1.027 201 T HN 0.194 nan 8.240 nan 0.000 0.529 202 L N 0.219 121.589 121.223 0.244 0.000 2.079 202 L HA -0.040 4.314 4.340 0.022 0.000 0.210 202 L C 2.524 179.523 176.870 0.216 0.000 1.081 202 L CA 1.806 56.834 54.840 0.313 0.000 0.752 202 L CB -1.068 41.109 42.059 0.197 0.000 0.896 202 L HN 0.710 nan 8.230 nan 0.000 0.433 203 E N -0.503 119.748 120.200 0.085 0.000 2.106 203 E HA -0.201 4.163 4.350 0.022 0.000 0.192 203 E C 2.150 178.740 176.600 -0.017 0.000 0.984 203 E CA 1.129 57.542 56.400 0.022 0.000 0.806 203 E CB -0.025 29.651 29.700 -0.040 0.000 0.750 203 E HN 0.685 nan 8.360 nan 0.000 0.458 204 Q N -1.184 118.547 119.800 -0.115 0.000 2.123 204 Q HA -0.133 4.220 4.340 0.022 0.000 0.199 204 Q C 2.100 178.164 176.000 0.106 0.000 0.966 204 Q CA 1.100 56.754 55.803 -0.248 0.000 0.845 204 Q CB -0.237 28.193 28.738 -0.513 0.000 0.907 204 Q HN 0.361 nan 8.270 nan 0.000 0.439 205 W N 1.510 122.896 121.300 0.143 0.000 2.358 205 W HA -0.207 4.466 4.660 0.023 0.000 0.303 205 W C 2.351 178.985 176.519 0.192 0.000 1.208 205 W CA 0.859 58.350 57.345 0.244 0.000 1.274 205 W CB 0.090 29.690 29.460 0.234 0.000 1.138 205 W HN 0.226 nan 8.180 nan 0.000 0.515 206 Q N -0.807 119.202 119.800 0.348 0.000 2.124 206 Q HA -0.164 4.189 4.340 0.022 0.000 0.202 206 Q C 2.007 178.067 176.000 0.100 0.000 0.977 206 Q CA 2.055 57.955 55.803 0.162 0.000 0.850 206 Q CB -0.582 28.222 28.738 0.109 0.000 0.901 206 Q HN 0.225 nan 8.270 nan 0.000 0.429 207 T N 1.460 116.100 114.554 0.143 0.000 2.737 207 T HA -0.101 4.262 4.350 0.022 0.000 0.265 207 T C 1.897 176.704 174.700 0.178 0.000 1.038 207 T CA 0.862 63.055 62.100 0.155 0.000 1.144 207 T CB -0.255 68.753 68.868 0.234 0.000 0.866 207 T HN 0.160 nan 8.240 nan 0.000 0.434 208 L N 0.817 122.217 121.223 0.295 0.000 2.079 208 L HA -0.154 4.199 4.340 0.022 0.000 0.210 208 L C 3.035 179.955 176.870 0.082 0.000 1.081 208 L CA 1.279 56.318 54.840 0.332 0.000 0.752 208 L CB -0.689 41.663 42.059 0.488 0.000 0.896 208 L HN 0.265 nan 8.230 nan 0.000 0.433 209 A N -0.639 122.013 122.820 -0.281 0.000 1.877 209 A HA -0.233 4.100 4.320 0.022 0.000 0.216 209 A C 2.242 179.626 177.584 -0.333 0.000 1.186 209 A CA 1.497 53.040 52.037 -0.824 0.000 0.620 209 A CB -0.439 18.156 19.000 -0.674 0.000 0.822 209 A HN 0.466 nan 8.150 nan 0.000 0.443 210 Q N -1.199 118.489 119.800 -0.187 0.000 2.079 210 Q HA -0.132 4.221 4.340 0.022 0.000 0.200 210 Q C 2.111 178.004 176.000 -0.178 0.000 0.974 210 Q CA 1.359 57.067 55.803 -0.159 0.000 0.840 210 Q CB -0.349 28.333 28.738 -0.094 0.000 0.898 210 Q HN 0.567 nan 8.270 nan 0.000 0.430 211 L N 0.595 121.732 121.223 -0.143 0.000 2.083 211 L HA -0.137 4.216 4.340 0.022 0.000 0.209 211 L C 2.418 178.977 176.870 -0.518 0.000 1.083 211 L CA 1.750 56.449 54.840 -0.235 0.000 0.752 211 L CB -0.712 41.289 42.059 -0.097 0.000 0.899 211 L HN 0.051 nan 8.230 nan 0.000 0.433 212 S N -1.062 114.433 115.700 -0.342 0.000 2.348 212 S HA -0.157 4.326 4.470 0.022 0.000 0.221 212 S C 2.121 176.571 174.600 -0.249 0.000 1.033 212 S CA 1.810 59.838 58.200 -0.286 0.000 1.010 212 S CB -0.663 62.835 63.200 0.498 0.000 0.891 212 S HN 0.471 nan 8.310 nan 0.000 0.442 213 V N 0.635 120.401 119.914 -0.247 0.000 2.332 213 V HA -0.139 3.995 4.120 0.022 0.000 0.248 213 V C 2.330 178.260 176.094 -0.274 0.000 1.055 213 V CA 2.464 64.546 62.300 -0.364 0.000 1.038 213 V CB -1.330 30.207 31.823 -0.477 0.000 0.651 213 V HN 0.677 nan 8.190 nan 0.000 0.450 214 E N 0.734 120.761 120.200 -0.289 0.000 2.150 214 E HA -0.263 4.101 4.350 0.022 0.000 0.193 214 E C 2.205 178.628 176.600 -0.294 0.000 0.985 214 E CA 1.498 57.749 56.400 -0.249 0.000 0.814 214 E CB -0.100 29.469 29.700 -0.218 0.000 0.752 214 E HN 0.699 nan 8.360 nan 0.000 0.466 215 K N -0.922 119.177 120.400 -0.502 0.000 2.400 215 K HA 0.060 4.394 4.320 0.022 0.000 0.194 215 K C 0.641 176.982 176.600 -0.431 0.000 1.033 215 K CA 0.708 56.646 56.287 -0.582 0.000 1.021 215 K CB 0.393 32.241 32.500 -1.086 0.000 0.808 215 K HN 0.268 nan 8.250 nan 0.000 0.505 216 G N 0.980 109.597 108.800 -0.306 0.000 2.182 216 G HA2 -0.171 3.802 3.960 0.022 0.000 0.248 216 G HA3 -0.171 3.802 3.960 0.022 0.000 0.248 216 G C -0.607 174.387 174.900 0.157 0.000 1.042 216 G CA -0.097 44.976 45.100 -0.046 0.000 0.775 216 G HN 0.099 nan 8.290 nan 0.000 0.501 217 W N -0.488 120.900 121.300 0.146 0.000 2.313 217 W HA 0.670 5.343 4.660 0.022 0.000 0.328 217 W C 0.447 177.093 176.519 0.212 0.000 1.197 217 W CA -1.740 55.693 57.345 0.146 0.000 1.235 217 W CB 0.673 30.209 29.460 0.126 0.000 1.158 217 W HN 0.059 nan 8.180 nan 0.000 0.578 218 L N 7.321 128.782 121.223 0.397 0.000 2.259 218 L HA 0.321 4.674 4.340 0.022 0.000 0.288 218 L C -1.985 175.047 176.870 0.270 0.000 1.051 218 L CA -1.747 53.276 54.840 0.305 0.000 0.824 218 L CB 0.787 42.987 42.059 0.235 0.000 1.206 218 L HN 0.058 nan 8.230 nan 0.000 0.429 219 P HA 0.118 nan 4.420 nan 0.000 0.271 219 P C -1.048 176.384 177.300 0.219 0.000 1.216 219 P CA -0.505 62.760 63.100 0.275 0.000 0.776 219 P CB 1.662 33.552 31.700 0.318 0.000 0.881 220 L N 4.703 125.990 121.223 0.106 0.000 2.457 220 L HA 0.489 4.842 4.340 0.022 0.000 0.266 220 L C -1.568 175.329 176.870 0.045 0.000 0.979 220 L CA -0.962 53.951 54.840 0.122 0.000 0.857 220 L CB 0.341 42.429 42.059 0.049 0.000 1.213 220 L HN 0.080 nan 8.230 nan 0.000 0.418 221 F N 3.059 123.091 119.950 0.136 0.000 2.394 221 F HA 0.405 4.946 4.527 0.022 0.000 0.340 221 F C 0.602 176.485 175.800 0.138 0.000 1.105 221 F CA -0.118 57.970 58.000 0.147 0.000 1.124 221 F CB 1.196 40.294 39.000 0.162 0.000 1.145 221 F HN 0.452 nan 8.300 nan 0.000 0.505 222 D N 3.810 124.333 120.400 0.205 0.000 2.460 222 D HA 0.156 4.810 4.640 0.022 0.000 0.232 222 D C -1.318 175.042 176.300 0.101 0.000 1.079 222 D CA -0.285 53.789 54.000 0.123 0.000 0.864 222 D CB 0.150 40.960 40.800 0.016 0.000 1.048 222 D HN 0.226 nan 8.370 nan 0.000 0.523 223 F N 2.859 122.834 119.950 0.041 0.000 2.300 223 F HA 0.447 4.987 4.527 0.022 0.000 0.364 223 F C 0.893 176.639 175.800 -0.090 0.000 1.090 223 F CA -0.504 57.504 58.000 0.013 0.000 1.200 223 F CB 1.167 40.146 39.000 -0.035 0.000 1.493 223 F HN 0.517 nan 8.300 nan 0.000 0.518 224 A N 2.662 125.478 122.820 -0.008 0.000 2.390 224 A HA 0.187 4.521 4.320 0.022 0.000 0.232 224 A C -0.085 177.264 177.584 -0.392 0.000 1.233 224 A CA 0.256 52.143 52.037 -0.250 0.000 0.907 224 A CB -0.222 18.480 19.000 -0.497 0.000 0.967 224 A HN 0.603 nan 8.150 nan 0.000 0.512 225 Y N -0.206 120.177 120.300 0.138 0.000 2.696 225 Y HA 0.284 4.848 4.550 0.023 0.000 0.255 225 Y C 0.518 176.641 175.900 0.372 0.000 1.103 225 Y CA -0.776 57.471 58.100 0.244 0.000 1.126 225 Y CB 0.034 38.555 38.460 0.102 0.000 1.197 225 Y HN 0.381 nan 8.280 nan 0.000 0.574 226 Q N 0.838 120.933 119.800 0.492 0.000 2.255 226 Q HA 0.340 4.693 4.340 0.022 0.000 0.280 226 Q C 1.186 177.358 176.000 0.286 0.000 1.068 226 Q CA 1.581 57.658 55.803 0.458 0.000 0.911 226 Q CB 0.248 29.217 28.738 0.384 0.000 1.157 226 Q HN 0.786 nan 8.270 nan 0.000 0.380 227 G N 3.327 112.238 108.800 0.186 0.000 2.238 227 G HA2 -0.265 3.709 3.960 0.022 0.000 0.217 227 G HA3 -0.265 3.709 3.960 0.022 0.000 0.217 227 G C 0.178 174.998 174.900 -0.134 0.000 0.996 227 G CA 0.056 45.135 45.100 -0.035 0.000 0.632 227 G HN 0.651 nan 8.290 nan 0.000 0.503 228 F N 1.563 121.570 119.950 0.095 0.000 2.789 228 F HA 0.582 5.121 4.527 0.021 0.000 0.300 228 F C 2.397 178.221 175.800 0.039 0.000 1.132 228 F CA 1.357 59.394 58.000 0.062 0.000 1.404 228 F CB 0.298 39.368 39.000 0.117 0.000 1.114 228 F HN 0.395 nan 8.300 nan 0.000 0.584 229 A N 0.078 123.022 122.820 0.207 0.000 1.982 229 A HA 0.195 4.528 4.320 0.022 0.000 0.217 229 A C 2.123 179.767 177.584 0.100 0.000 1.457 229 A CA 0.512 52.640 52.037 0.151 0.000 0.654 229 A CB -0.025 19.074 19.000 0.165 0.000 1.150 229 A HN 0.180 nan 8.150 nan 0.000 0.509 230 R N -2.007 118.546 120.500 0.088 0.000 2.215 230 R HA 0.401 4.755 4.340 0.022 0.000 0.190 230 R C 0.643 176.951 176.300 0.013 0.000 0.968 230 R CA 0.682 56.814 56.100 0.053 0.000 1.122 230 R CB 0.997 31.338 30.300 0.068 0.000 1.151 230 R HN 0.621 nan 8.270 nan 0.000 0.582 234 E N 0.890 121.094 120.200 0.007 0.000 2.072 234 E HA -0.175 4.188 4.350 0.022 0.000 0.191 234 E C 1.640 178.256 176.600 0.028 0.000 0.985 234 E CA 1.631 58.034 56.400 0.005 0.000 0.801 234 E CB 0.178 29.877 29.700 -0.001 0.000 0.750 234 E HN 0.494 nan 8.360 nan 0.000 0.452 235 E N 1.016 121.242 120.200 0.042 0.000 2.110 235 E HA -0.143 4.221 4.350 0.022 0.000 0.193 235 E C 1.602 178.266 176.600 0.106 0.000 0.988 235 E CA 1.136 57.575 56.400 0.066 0.000 0.804 235 E CB -0.117 29.622 29.700 0.064 0.000 0.745 235 E HN 0.180 nan 8.360 nan 0.000 0.458 236 D N -0.115 120.368 120.400 0.138 0.000 2.264 236 D HA -0.043 4.610 4.640 0.022 0.000 0.208 236 D C 1.313 177.798 176.300 0.308 0.000 0.966 236 D CA 1.117 55.250 54.000 0.222 0.000 0.864 236 D CB -0.093 40.869 40.800 0.271 0.000 0.933 236 D HN 0.215 nan 8.370 nan 0.000 0.499 237 A N 0.264 123.205 122.820 0.202 0.000 2.251 237 A HA 0.017 4.351 4.320 0.022 0.000 0.209 237 A C 1.814 179.384 177.584 -0.023 0.000 1.187 237 A CA 0.094 52.203 52.037 0.119 0.000 0.823 237 A CB -0.172 18.749 19.000 -0.132 0.000 0.846 237 A HN 0.071 nan 8.150 nan 0.000 0.486 238 E N 0.050 120.242 120.200 -0.013 0.000 2.049 238 E HA -0.202 4.162 4.350 0.022 0.000 0.198 238 E C 2.146 178.619 176.600 -0.212 0.000 1.007 238 E CA 1.238 57.606 56.400 -0.054 0.000 0.809 238 E CB -0.309 29.409 29.700 0.029 0.000 0.749 238 E HN 0.608 nan 8.360 nan 0.000 0.450 239 G N 1.343 109.811 108.800 -0.552 0.000 2.446 239 G HA2 -0.277 3.696 3.960 0.022 0.000 0.217 239 G HA3 -0.277 3.696 3.960 0.022 0.000 0.217 239 G C 1.542 175.981 174.900 -0.768 0.000 1.168 239 G CA 0.887 45.212 45.100 -1.292 0.000 0.771 239 G HN 0.175 nan 8.290 nan 0.000 0.551 240 L N 0.758 121.548 121.223 -0.722 0.000 1.989 240 L HA -0.017 4.336 4.340 0.022 0.000 0.211 240 L C 2.856 179.552 176.870 -0.290 0.000 1.071 240 L CA 1.941 56.303 54.840 -0.796 0.000 0.749 240 L CB -0.684 41.052 42.059 -0.538 0.000 0.890 240 L HN 0.171 nan 8.230 nan 0.000 0.431 241 R N -0.413 120.003 120.500 -0.140 0.000 2.152 241 R HA -0.103 4.250 4.340 0.022 0.000 0.232 241 R C 2.228 178.546 176.300 0.030 0.000 1.117 241 R CA 1.090 57.190 56.100 0.000 0.000 0.981 241 R CB -0.642 29.661 30.300 0.005 0.000 0.870 241 R HN 0.583 nan 8.270 nan 0.000 0.451 242 A N 0.672 123.510 122.820 0.029 0.000 1.873 242 A HA -0.136 4.197 4.320 0.022 0.000 0.215 242 A C 1.832 179.503 177.584 0.146 0.000 1.186 242 A CA 1.091 53.181 52.037 0.090 0.000 0.616 242 A CB -0.525 18.558 19.000 0.138 0.000 0.823 242 A HN 0.181 nan 8.150 nan 0.000 0.442 243 F N 0.235 120.199 119.950 0.024 0.000 2.146 243 F HA -0.067 4.474 4.527 0.023 0.000 0.298 243 F C 2.814 178.714 175.800 0.166 0.000 1.096 243 F CA 0.991 59.094 58.000 0.171 0.000 1.275 243 F CB -0.576 38.504 39.000 0.132 0.000 1.008 243 F HN 0.252 nan 8.300 nan 0.000 0.480 244 A N -0.172 122.784 122.820 0.226 0.000 1.940 244 A HA -0.123 4.211 4.320 0.022 0.000 0.219 244 A C 2.358 179.975 177.584 0.056 0.000 1.176 244 A CA 1.796 53.897 52.037 0.106 0.000 0.631 244 A CB -1.274 17.749 19.000 0.039 0.000 0.814 244 A HN 0.315 nan 8.150 nan 0.000 0.446 245 A N -1.360 121.492 122.820 0.054 0.000 2.014 245 A HA 0.092 4.425 4.320 0.022 0.000 0.218 245 A C 2.107 179.692 177.584 0.001 0.000 1.163 245 A CA 1.539 53.583 52.037 0.012 0.000 0.652 245 A CB -0.326 18.679 19.000 0.008 0.000 0.808 245 A HN 0.521 nan 8.150 nan 0.000 0.449 246 M N -1.542 118.069 119.600 0.019 0.000 2.491 246 M HA 0.152 4.645 4.480 0.022 0.000 0.259 246 M C 0.006 176.236 176.300 -0.116 0.000 1.163 246 M CA 0.162 55.421 55.300 -0.069 0.000 1.109 246 M CB 0.205 32.720 32.600 -0.141 0.000 1.353 246 M HN 0.313 nan 8.290 nan 0.000 0.500 247 H N 0.250 119.332 119.070 0.020 0.000 2.481 247 H HA 0.127 4.696 4.556 0.023 0.000 0.339 247 H C 0.398 175.748 175.328 0.038 0.000 1.131 247 H CA 0.352 56.437 56.048 0.062 0.000 1.301 247 H CB 2.116 31.980 29.762 0.171 0.000 1.476 247 H HN -0.022 nan 8.280 nan 0.000 0.529 248 K N 1.214 121.700 120.400 0.144 0.000 2.202 248 K HA 0.039 4.372 4.320 0.022 0.000 0.201 248 K C -0.248 176.424 176.600 0.119 0.000 1.051 248 K CA 0.833 57.173 56.287 0.088 0.000 0.977 248 K CB 0.651 33.186 32.500 0.059 0.000 0.792 248 K HN 0.597 nan 8.250 nan 0.000 0.469 249 E N 0.090 120.408 120.200 0.196 0.000 2.340 249 E HA 0.501 4.865 4.350 0.022 0.000 0.273 249 E C -1.416 175.320 176.600 0.228 0.000 0.891 249 E CA -0.846 55.666 56.400 0.185 0.000 0.757 249 E CB 2.309 32.120 29.700 0.186 0.000 1.231 249 E HN 0.170 nan 8.360 nan 0.000 0.439 250 L N -1.494 119.844 121.223 0.192 0.000 2.947 250 L HA 0.636 4.990 4.340 0.022 0.000 0.267 250 L C -1.716 175.275 176.870 0.201 0.000 1.004 250 L CA -1.013 53.955 54.840 0.214 0.000 0.937 250 L CB 1.210 43.407 42.059 0.230 0.000 1.496 250 L HN 0.503 nan 8.230 nan 0.000 0.409 251 I N 1.619 122.329 120.570 0.234 0.000 2.647 251 I HA 0.753 4.936 4.170 0.022 0.000 0.295 251 I C -1.173 175.098 176.117 0.257 0.000 1.078 251 I CA -1.178 60.248 61.300 0.209 0.000 1.048 251 I CB 2.338 40.457 38.000 0.199 0.000 1.239 251 I HN 0.518 nan 8.210 nan 0.000 0.421 252 V N 5.078 125.119 119.914 0.213 0.000 2.569 252 V HA 0.825 4.959 4.120 0.022 0.000 0.301 252 V C -0.861 175.319 176.094 0.143 0.000 1.044 252 V CA -0.147 62.283 62.300 0.216 0.000 0.874 252 V CB 1.648 33.566 31.823 0.158 0.000 1.002 252 V HN 0.827 nan 8.190 nan 0.000 0.424 253 A N 5.362 128.284 122.820 0.170 0.000 2.249 253 A HA 0.888 5.221 4.320 0.022 0.000 0.314 253 A C 0.161 177.796 177.584 0.085 0.000 1.290 253 A CA 0.139 52.249 52.037 0.121 0.000 0.893 253 A CB 0.973 20.067 19.000 0.155 0.000 1.165 253 A HN 1.680 nan 8.150 nan 0.000 0.530 254 S N 1.628 117.320 115.700 -0.013 0.000 2.648 254 S HA 0.851 5.334 4.470 0.022 0.000 0.305 254 S C -0.212 174.282 174.600 -0.177 0.000 1.094 254 S CA -0.328 57.812 58.200 -0.099 0.000 0.983 254 S CB 1.792 64.828 63.200 -0.273 0.000 1.101 254 S HN 1.276 nan 8.310 nan 0.000 0.514 255 S N -0.005 115.552 115.700 -0.239 0.000 2.548 255 S HA 0.653 5.137 4.470 0.022 0.000 0.286 255 S C -1.465 172.959 174.600 -0.294 0.000 1.098 255 S CA -0.546 57.529 58.200 -0.210 0.000 0.930 255 S CB 0.957 64.071 63.200 -0.143 0.000 1.070 255 S HN 0.719 nan 8.310 nan 0.000 0.480 256 Y N 1.778 122.085 120.300 0.012 0.000 2.557 256 Y HA 0.313 4.878 4.550 0.027 0.000 0.247 256 Y C 2.124 178.032 175.900 0.012 0.000 1.164 256 Y CA -0.206 57.926 58.100 0.053 0.000 1.218 256 Y CB 0.187 38.587 38.460 -0.099 0.000 1.210 256 Y HN 0.598 nan 8.280 nan 0.000 0.529 257 S N 0.176 115.899 115.700 0.039 0.000 2.368 257 S HA -0.186 4.297 4.470 0.022 0.000 0.225 257 S C 1.791 176.129 174.600 -0.438 0.000 1.030 257 S CA 1.743 59.855 58.200 -0.147 0.000 0.999 257 S CB 0.027 63.217 63.200 -0.016 0.000 0.844 257 S HN 0.358 nan 8.310 nan 0.000 0.459 258 K N 1.790 122.107 120.400 -0.139 0.000 2.099 258 K HA 0.089 4.423 4.320 0.022 0.000 0.203 258 K C 1.671 178.474 176.600 0.339 0.000 1.047 258 K CA 1.036 57.331 56.287 0.014 0.000 0.963 258 K CB -0.259 32.231 32.500 -0.016 0.000 0.759 258 K HN 0.379 nan 8.250 nan 0.000 0.451 259 N N -0.109 118.868 118.700 0.462 0.000 2.512 259 N HA -0.097 4.656 4.740 0.022 0.000 0.183 259 N C 0.645 176.340 175.510 0.308 0.000 1.073 259 N CA 1.057 54.360 53.050 0.422 0.000 0.911 259 N CB -0.153 38.584 38.487 0.416 0.000 0.964 259 N HN 0.127 nan 8.380 nan 0.000 0.447 260 F N -0.910 119.162 119.950 0.205 0.000 2.767 260 F HA 0.412 4.949 4.527 0.018 0.000 0.323 260 F C 1.471 177.266 175.800 -0.008 0.000 1.091 260 F CA -0.026 58.035 58.000 0.100 0.000 1.192 260 F CB 0.540 39.488 39.000 -0.087 0.000 1.056 260 F HN 0.127 nan 8.300 nan 0.000 0.571 261 G N 1.697 110.496 108.800 -0.001 0.000 2.305 261 G HA2 -0.304 3.670 3.960 0.022 0.000 0.287 261 G HA3 -0.304 3.670 3.960 0.022 0.000 0.287 261 G C 0.421 175.199 174.900 -0.204 0.000 1.036 261 G CA 0.350 45.306 45.100 -0.240 0.000 0.887 261 G HN 0.409 nan 8.290 nan 0.000 0.505 262 L N -0.487 120.599 121.223 -0.229 0.000 2.928 262 L HA 0.274 4.627 4.340 0.022 0.000 0.246 262 L C 2.146 178.995 176.870 -0.036 0.000 1.239 262 L CA -0.867 53.936 54.840 -0.062 0.000 1.035 262 L CB -0.328 41.711 42.059 -0.032 0.000 1.360 262 L HN 0.312 nan 8.230 nan 0.000 0.529 263 Y N 1.096 121.460 120.300 0.108 0.000 1.980 263 Y HA -0.426 4.137 4.550 0.021 0.000 0.249 263 Y C 2.467 178.399 175.900 0.054 0.000 1.215 263 Y CA 2.224 60.372 58.100 0.079 0.000 1.075 263 Y CB -0.899 37.610 38.460 0.081 0.000 0.894 263 Y HN 0.566 nan 8.280 nan 0.000 0.503 264 N N -0.180 118.660 118.700 0.234 0.000 2.521 264 N HA -0.101 4.652 4.740 0.022 0.000 0.188 264 N C 0.711 176.266 175.510 0.075 0.000 1.146 264 N CA 1.020 54.145 53.050 0.127 0.000 0.893 264 N CB -0.414 38.135 38.487 0.103 0.000 0.975 264 N HN 0.423 nan 8.380 nan 0.000 0.451 265 E N 0.604 120.845 120.200 0.069 0.000 2.479 265 E HA 0.049 4.413 4.350 0.022 0.000 0.193 265 E C -0.243 176.354 176.600 -0.005 0.000 1.049 265 E CA -0.109 56.312 56.400 0.036 0.000 0.870 265 E CB 0.061 29.788 29.700 0.046 0.000 0.944 265 E HN 0.172 nan 8.360 nan 0.000 0.492 266 R N 0.010 120.515 120.500 0.007 0.000 2.974 266 R HA -0.132 4.222 4.340 0.022 0.000 0.258 266 R C -0.702 175.578 176.300 -0.034 0.000 0.892 266 R CA 0.248 56.340 56.100 -0.013 0.000 0.664 266 R CB -2.980 27.293 30.300 -0.045 0.000 1.478 266 R HN -0.087 nan 8.270 nan 0.000 0.498 267 V N 0.738 120.654 119.914 0.003 0.000 2.313 267 V HA 0.837 4.971 4.120 0.022 0.000 0.278 267 V C 1.116 177.318 176.094 0.180 0.000 1.017 267 V CA 0.036 62.361 62.300 0.043 0.000 0.823 267 V CB 1.958 33.787 31.823 0.010 0.000 1.010 267 V HN 0.722 nan 8.190 nan 0.000 0.443 268 G N 2.895 111.814 108.800 0.200 0.000 2.687 268 G HA2 0.870 4.843 3.960 0.022 0.000 0.291 268 G HA3 0.870 4.843 3.960 0.022 0.000 0.291 268 G C -0.775 174.264 174.900 0.232 0.000 1.420 268 G CA -0.045 45.151 45.100 0.159 0.000 0.796 268 G HN 0.794 nan 8.290 nan 0.000 0.485 269 T N -3.538 111.083 114.554 0.113 0.000 2.894 269 T HA 0.553 4.917 4.350 0.022 0.000 0.309 269 T C -1.419 173.332 174.700 0.085 0.000 1.208 269 T CA -0.731 61.444 62.100 0.124 0.000 1.016 269 T CB 1.511 70.394 68.868 0.024 0.000 1.192 269 T HN 1.283 nan 8.240 nan 0.000 0.491 270 C N 2.743 122.116 119.300 0.121 0.000 2.346 270 C HA 0.774 5.248 4.460 0.022 0.000 0.326 270 C C -0.153 174.908 174.990 0.118 0.000 1.224 270 C CA 0.016 59.106 59.018 0.120 0.000 1.408 270 C CB -0.288 27.537 27.740 0.141 0.000 2.089 270 C HN 1.042 nan 8.230 nan 0.000 0.456 271 T N 6.836 121.440 114.554 0.084 0.000 2.797 271 T HA 0.512 4.876 4.350 0.022 0.000 0.279 271 T C -0.551 174.194 174.700 0.074 0.000 0.991 271 T CA -0.269 61.871 62.100 0.068 0.000 0.979 271 T CB 1.120 70.036 68.868 0.080 0.000 0.943 271 T HN 0.590 nan 8.240 nan 0.000 0.444 272 L N 3.310 124.544 121.223 0.019 0.000 2.325 272 L HA 0.745 5.098 4.340 0.022 0.000 0.278 272 L C -0.851 176.018 176.870 -0.002 0.000 1.023 272 L CA -0.963 53.880 54.840 0.004 0.000 0.811 272 L CB 1.743 43.777 42.059 -0.041 0.000 1.249 272 L HN 0.369 nan 8.230 nan 0.000 0.431 273 V N 2.405 122.339 119.914 0.033 0.000 2.588 273 V HA 0.817 4.951 4.120 0.022 0.000 0.304 273 V C -0.157 175.959 176.094 0.035 0.000 1.042 273 V CA -0.489 61.809 62.300 -0.003 0.000 0.877 273 V CB 1.579 33.385 31.823 -0.027 0.000 0.996 273 V HN 0.889 nan 8.190 nan 0.000 0.425 274 A N 2.886 125.714 122.820 0.014 0.000 2.483 274 A HA 0.932 5.265 4.320 0.022 0.000 0.286 274 A C 1.110 178.706 177.584 0.020 0.000 1.207 274 A CA 0.045 52.108 52.037 0.043 0.000 0.764 274 A CB 1.296 20.330 19.000 0.057 0.000 1.341 274 A HN 1.265 nan 8.150 nan 0.000 0.428 275 A N -0.490 122.350 122.820 0.032 0.000 1.978 275 A HA 0.210 4.543 4.320 0.022 0.000 0.220 275 A C 0.553 178.137 177.584 -0.001 0.000 1.170 275 A CA 2.440 54.487 52.037 0.016 0.000 0.636 275 A CB -0.785 18.229 19.000 0.024 0.000 0.810 275 A HN 1.063 nan 8.150 nan 0.000 0.448 276 D N -4.595 115.807 120.400 0.002 0.000 2.677 276 D HA 0.354 5.007 4.640 0.022 0.000 0.298 276 D C 0.591 176.888 176.300 -0.006 0.000 1.250 276 D CA 0.089 54.085 54.000 -0.007 0.000 0.888 276 D CB 0.237 41.037 40.800 -0.001 0.000 1.397 276 D HN -0.014 nan 8.370 nan 0.000 0.461 277 S N -0.690 115.003 115.700 -0.012 0.000 2.402 277 S HA -0.215 4.269 4.470 0.022 0.000 0.229 277 S C 1.631 176.237 174.600 0.010 0.000 1.021 277 S CA 1.425 59.618 58.200 -0.011 0.000 0.974 277 S CB -0.463 62.727 63.200 -0.017 0.000 0.800 277 S HN 0.598 nan 8.310 nan 0.000 0.484 278 E N 2.141 122.351 120.200 0.017 0.000 2.051 278 E HA -0.127 4.237 4.350 0.022 0.000 0.192 278 E C 1.929 178.556 176.600 0.045 0.000 0.991 278 E CA 2.254 58.671 56.400 0.029 0.000 0.799 278 E CB -1.132 28.583 29.700 0.025 0.000 0.748 278 E HN 0.540 nan 8.360 nan 0.000 0.449 279 T N 0.100 114.680 114.554 0.045 0.000 2.737 279 T HA -0.103 4.261 4.350 0.022 0.000 0.265 279 T C 1.896 176.645 174.700 0.082 0.000 1.038 279 T CA 1.195 63.334 62.100 0.065 0.000 1.144 279 T CB -0.576 68.329 68.868 0.061 0.000 0.866 279 T HN 0.102 nan 8.240 nan 0.000 0.434 280 V N 1.893 121.841 119.914 0.056 0.000 2.407 280 V HA -0.183 3.951 4.120 0.022 0.000 0.248 280 V C 2.057 178.206 176.094 0.092 0.000 1.055 280 V CA 1.976 64.307 62.300 0.052 0.000 1.049 280 V CB -0.516 31.297 31.823 -0.017 0.000 0.662 280 V HN 0.372 nan 8.190 nan 0.000 0.455 281 D N -0.495 119.954 120.400 0.081 0.000 2.117 281 D HA -0.151 4.503 4.640 0.022 0.000 0.198 281 D C 2.313 178.710 176.300 0.161 0.000 0.982 281 D CA 1.318 55.394 54.000 0.127 0.000 0.828 281 D CB -0.291 40.558 40.800 0.082 0.000 0.967 281 D HN 0.356 nan 8.370 nan 0.000 0.464 282 R N 0.335 120.910 120.500 0.125 0.000 2.096 282 R HA -0.084 4.269 4.340 0.022 0.000 0.235 282 R C 2.061 178.460 176.300 0.166 0.000 1.127 282 R CA 1.390 57.562 56.100 0.121 0.000 0.968 282 R CB -0.074 30.284 30.300 0.096 0.000 0.861 282 R HN 0.117 nan 8.270 nan 0.000 0.440 283 A N -0.040 122.903 122.820 0.204 0.000 1.872 283 A HA -0.156 4.178 4.320 0.022 0.000 0.214 283 A C 1.912 179.674 177.584 0.297 0.000 1.187 283 A CA 0.929 53.145 52.037 0.298 0.000 0.614 283 A CB -0.679 18.495 19.000 0.291 0.000 0.826 283 A HN 0.426 nan 8.150 nan 0.000 0.442 284 F N 2.054 122.031 119.950 0.045 0.000 2.216 284 F HA -0.188 4.352 4.527 0.021 0.000 0.300 284 F C 2.793 178.617 175.800 0.039 0.000 1.085 284 F CA 1.403 59.401 58.000 -0.005 0.000 1.326 284 F CB -0.376 38.619 39.000 -0.009 0.000 1.027 284 F HN 0.354 nan 8.300 nan 0.000 0.497 285 S N -0.495 115.266 115.700 0.102 0.000 2.370 285 S HA -0.254 4.229 4.470 0.022 0.000 0.226 285 S C 1.894 176.486 174.600 -0.014 0.000 1.033 285 S CA 1.284 59.490 58.200 0.010 0.000 1.011 285 S CB -0.657 62.579 63.200 0.060 0.000 0.852 285 S HN 0.472 nan 8.310 nan 0.000 0.457 286 Q N 0.346 120.200 119.800 0.090 0.000 2.230 286 Q HA 0.134 4.487 4.340 0.022 0.000 0.202 286 Q C 2.101 178.196 176.000 0.158 0.000 0.963 286 Q CA 1.107 56.993 55.803 0.139 0.000 0.866 286 Q CB -0.409 28.468 28.738 0.232 0.000 0.931 286 Q HN 0.755 nan 8.270 nan 0.000 0.452 287 M N 0.343 119.988 119.600 0.074 0.000 2.254 287 M HA -0.104 4.390 4.480 0.022 0.000 0.265 287 M C 1.576 177.750 176.300 -0.209 0.000 1.066 287 M CA 1.222 56.490 55.300 -0.053 0.000 1.123 287 M CB 0.194 32.626 32.600 -0.280 0.000 1.388 287 M HN -0.071 nan 8.290 nan 0.000 0.425 288 K N 0.322 120.510 120.400 -0.354 0.000 2.097 288 K HA -0.051 4.282 4.320 0.022 0.000 0.205 288 K C 1.985 178.474 176.600 -0.185 0.000 1.050 288 K CA 1.367 57.456 56.287 -0.329 0.000 0.938 288 K CB -0.362 31.929 32.500 -0.348 0.000 0.718 288 K HN 0.428 nan 8.250 nan 0.000 0.442 289 A N 1.792 124.542 122.820 -0.116 0.000 1.902 289 A HA -0.080 4.254 4.320 0.022 0.000 0.217 289 A C 2.441 179.980 177.584 -0.075 0.000 1.181 289 A CA 1.833 53.825 52.037 -0.076 0.000 0.623 289 A CB -0.554 18.426 19.000 -0.033 0.000 0.818 289 A HN 0.304 nan 8.150 nan 0.000 0.443 290 A N -0.206 122.589 122.820 -0.042 0.000 1.933 290 A HA -0.072 4.262 4.320 0.022 0.000 0.218 290 A C 2.118 179.636 177.584 -0.111 0.000 1.175 290 A CA 1.537 53.558 52.037 -0.027 0.000 0.628 290 A CB -0.552 18.486 19.000 0.063 0.000 0.814 290 A HN 0.504 nan 8.150 nan 0.000 0.444 291 I N -0.517 119.944 120.570 -0.181 0.000 2.233 291 I HA -0.240 3.943 4.170 0.022 0.000 0.243 291 I C 2.676 178.515 176.117 -0.463 0.000 1.093 291 I CA 1.631 62.701 61.300 -0.383 0.000 1.380 291 I CB -0.283 37.519 38.000 -0.330 0.000 1.067 291 I HN 0.475 nan 8.210 nan 0.000 0.413 292 R N 0.819 121.148 120.500 -0.284 0.000 2.193 292 R HA -0.100 4.254 4.340 0.022 0.000 0.229 292 R C 1.626 177.817 176.300 -0.182 0.000 1.110 292 R CA 1.248 57.213 56.100 -0.225 0.000 0.988 292 R CB -0.344 29.863 30.300 -0.156 0.000 0.871 292 R HN 0.186 nan 8.270 nan 0.000 0.458 293 V N 1.393 121.212 119.914 -0.157 0.000 3.623 293 V HA -0.013 4.120 4.120 0.022 0.000 0.271 293 V C 1.077 177.112 176.094 -0.099 0.000 1.248 293 V CA 0.764 63.002 62.300 -0.103 0.000 1.156 293 V CB 0.033 31.815 31.823 -0.068 0.000 0.870 293 V HN 0.446 nan 8.190 nan 0.000 0.453 294 N N 0.775 119.371 118.700 -0.174 0.000 2.648 294 N HA 0.020 4.773 4.740 0.022 0.000 0.234 294 N C 1.299 176.776 175.510 -0.054 0.000 1.034 294 N CA 1.375 54.356 53.050 -0.114 0.000 1.205 294 N CB 0.126 38.528 38.487 -0.142 0.000 1.573 294 N HN 0.450 nan 8.380 nan 0.000 0.615 295 Y N -1.373 118.927 120.300 0.001 0.000 2.557 295 Y HA 0.577 5.141 4.550 0.024 0.000 0.247 295 Y C 1.259 177.162 175.900 0.006 0.000 1.164 295 Y CA 0.314 58.419 58.100 0.007 0.000 1.218 295 Y CB -0.039 38.429 38.460 0.013 0.000 1.210 295 Y HN 0.150 nan 8.280 nan 0.000 0.529 296 S N 0.704 116.261 115.700 -0.240 0.000 2.260 296 S HA -0.270 4.213 4.470 0.022 0.000 0.243 296 S C 0.422 174.968 174.600 -0.090 0.000 1.065 296 S CA 1.854 59.964 58.200 -0.150 0.000 2.199 296 S CB -1.820 61.340 63.200 -0.067 0.000 1.307 296 S HN 1.254 nan 8.310 nan 0.000 0.497 297 S N 2.132 117.911 115.700 0.132 0.000 2.579 297 S HA 0.806 5.290 4.470 0.022 0.000 0.272 297 S C -3.296 171.536 174.600 0.386 0.000 1.141 297 S CA -0.834 57.495 58.200 0.215 0.000 0.843 297 S CB 2.570 65.866 63.200 0.160 0.000 1.122 297 S HN 0.637 nan 8.310 nan 0.000 0.468 298 P HA 0.464 nan 4.420 nan 0.000 0.282 298 P C -2.827 174.485 177.300 0.019 0.000 1.259 298 P CA -1.861 61.301 63.100 0.104 0.000 0.826 298 P CB -0.264 31.478 31.700 0.070 0.000 1.064 299 P HA 0.054 nan 4.420 nan 0.000 0.267 299 P C 0.488 177.740 177.300 -0.081 0.000 1.209 299 P CA 0.110 63.180 63.100 -0.050 0.000 0.763 299 P CB 0.591 32.251 31.700 -0.066 0.000 0.816 300 A N 3.606 126.393 122.820 -0.056 0.000 1.872 300 A HA -0.191 4.142 4.320 0.022 0.000 0.214 300 A C 2.247 179.765 177.584 -0.110 0.000 1.187 300 A CA 1.105 53.088 52.037 -0.090 0.000 0.614 300 A CB -1.599 17.371 19.000 -0.050 0.000 0.826 300 A HN 0.732 nan 8.150 nan 0.000 0.442 301 H N -0.238 118.754 119.070 -0.131 0.000 2.261 301 H HA -0.232 4.324 4.556 -0.000 0.000 0.290 301 H C 2.355 177.582 175.328 -0.168 0.000 1.081 301 H CA 2.367 58.341 56.048 -0.124 0.000 1.196 301 H CB -0.577 29.133 29.762 -0.087 0.000 1.350 301 H HN 0.424 nan 8.280 nan 0.000 0.498 302 G N -0.118 108.576 108.800 -0.176 0.000 2.476 302 G HA2 -0.276 3.698 3.960 0.022 0.000 0.218 302 G HA3 -0.276 3.698 3.960 0.022 0.000 0.218 302 G C 1.929 176.560 174.900 -0.448 0.000 1.164 302 G CA 1.502 46.436 45.100 -0.276 0.000 0.768 302 G HN 0.615 nan 8.290 nan 0.000 0.560 303 A N 0.568 123.053 122.820 -0.557 0.000 1.933 303 A HA 0.040 4.374 4.320 0.022 0.000 0.218 303 A C 2.708 179.912 177.584 -0.634 0.000 1.175 303 A CA 2.211 53.666 52.037 -0.972 0.000 0.628 303 A CB -0.525 17.683 19.000 -1.319 0.000 0.814 303 A HN 0.323 nan 8.150 nan 0.000 0.444 304 S N -0.397 115.046 115.700 -0.429 0.000 2.368 304 S HA -0.126 4.357 4.470 0.022 0.000 0.225 304 S C 1.890 176.315 174.600 -0.292 0.000 1.030 304 S CA 1.353 59.382 58.200 -0.284 0.000 0.999 304 S CB -0.485 62.587 63.200 -0.213 0.000 0.844 304 S HN 0.345 nan 8.310 nan 0.000 0.459 305 V N 1.621 121.305 119.914 -0.384 0.000 2.287 305 V HA -0.170 3.963 4.120 0.022 0.000 0.248 305 V C 2.347 178.218 176.094 -0.371 0.000 1.053 305 V CA 1.594 63.688 62.300 -0.343 0.000 1.027 305 V CB -0.761 30.843 31.823 -0.365 0.000 0.646 305 V HN 0.340 nan 8.190 nan 0.000 0.447 306 V N 0.214 119.797 119.914 -0.551 0.000 2.295 306 V HA -0.277 3.856 4.120 0.022 0.000 0.246 306 V C 2.702 178.527 176.094 -0.450 0.000 1.049 306 V CA 2.125 63.942 62.300 -0.805 0.000 1.024 306 V CB -1.199 29.957 31.823 -1.111 0.000 0.648 306 V HN 0.572 nan 8.190 nan 0.000 0.447 307 A N -0.394 122.283 122.820 -0.238 0.000 1.933 307 A HA -0.234 4.099 4.320 0.022 0.000 0.218 307 A C 2.390 179.881 177.584 -0.154 0.000 1.175 307 A CA 2.547 54.508 52.037 -0.125 0.000 0.628 307 A CB -0.972 18.011 19.000 -0.029 0.000 0.814 307 A HN 0.521 nan 8.150 nan 0.000 0.444 308 T N 0.394 114.840 114.554 -0.180 0.000 2.674 308 T HA -0.119 4.244 4.350 0.022 0.000 0.265 308 T C 1.830 176.416 174.700 -0.190 0.000 1.039 308 T CA 1.594 63.572 62.100 -0.202 0.000 1.150 308 T CB -0.426 68.321 68.868 -0.202 0.000 0.864 308 T HN 0.423 nan 8.240 nan 0.000 0.427 309 I N 0.504 120.976 120.570 -0.164 0.000 2.076 309 I HA -0.155 4.028 4.170 0.022 0.000 0.237 309 I C 2.263 178.333 176.117 -0.078 0.000 1.059 309 I CA 1.030 62.274 61.300 -0.093 0.000 1.317 309 I CB -0.418 37.560 38.000 -0.035 0.000 1.037 309 I HN 0.130 nan 8.210 nan 0.000 0.398 310 L N 0.877 122.021 121.223 -0.132 0.000 2.189 310 L HA -0.167 4.187 4.340 0.022 0.000 0.214 310 L C 2.228 179.057 176.870 -0.068 0.000 1.097 310 L CA 1.951 56.731 54.840 -0.100 0.000 0.764 310 L CB -1.235 40.715 42.059 -0.181 0.000 0.900 310 L HN 0.291 nan 8.230 nan 0.000 0.436 311 G N -2.164 106.581 108.800 -0.091 0.000 2.838 311 G HA2 -0.098 3.876 3.960 0.022 0.000 0.210 311 G HA3 -0.098 3.876 3.960 0.022 0.000 0.210 311 G C 0.640 175.494 174.900 -0.076 0.000 1.153 311 G CA -0.132 44.921 45.100 -0.077 0.000 0.778 311 G HN 0.318 nan 8.290 nan 0.000 0.539 312 N N 0.776 119.426 118.700 -0.083 0.000 2.446 312 N HA 0.126 4.879 4.740 0.022 0.000 0.265 312 N C 0.084 175.574 175.510 -0.033 0.000 0.975 312 N CA -0.465 52.537 53.050 -0.080 0.000 0.928 312 N CB 1.573 39.981 38.487 -0.133 0.000 1.160 312 N HN -0.162 nan 8.380 nan 0.000 0.495 313 D N 3.041 123.428 120.400 -0.022 0.000 2.133 313 D HA -0.193 4.461 4.640 0.022 0.000 0.192 313 D C 1.481 177.783 176.300 0.004 0.000 1.001 313 D CA 1.646 55.644 54.000 -0.003 0.000 0.844 313 D CB -0.041 40.755 40.800 -0.007 0.000 0.944 313 D HN 0.721 nan 8.370 nan 0.000 0.447 314 A N 0.616 123.432 122.820 -0.007 0.000 1.877 314 A HA -0.150 4.183 4.320 0.022 0.000 0.216 314 A C 2.215 179.806 177.584 0.011 0.000 1.186 314 A CA 0.993 53.029 52.037 -0.002 0.000 0.620 314 A CB -0.681 18.315 19.000 -0.008 0.000 0.822 314 A HN 0.138 nan 8.150 nan 0.000 0.443 315 L N -0.464 120.762 121.223 0.005 0.000 2.046 315 L HA -0.070 4.283 4.340 0.022 0.000 0.208 315 L C 2.536 179.466 176.870 0.100 0.000 1.077 315 L CA 1.971 56.829 54.840 0.030 0.000 0.747 315 L CB -0.809 41.241 42.059 -0.016 0.000 0.896 315 L HN 0.446 nan 8.230 nan 0.000 0.432 316 R N -0.944 119.618 120.500 0.103 0.000 2.096 316 R HA -0.160 4.193 4.340 0.022 0.000 0.235 316 R C 2.183 178.581 176.300 0.162 0.000 1.127 316 R CA 1.255 57.481 56.100 0.210 0.000 0.968 316 R CB -0.157 30.236 30.300 0.154 0.000 0.861 316 R HN 0.386 nan 8.270 nan 0.000 0.440 317 A N 0.975 123.833 122.820 0.063 0.000 1.877 317 A HA -0.152 4.182 4.320 0.022 0.000 0.216 317 A C 2.109 179.678 177.584 -0.025 0.000 1.186 317 A CA 1.345 53.382 52.037 0.001 0.000 0.620 317 A CB -0.470 18.526 19.000 -0.006 0.000 0.822 317 A HN 0.316 nan 8.150 nan 0.000 0.443 318 I N -2.374 118.203 120.570 0.011 0.000 2.179 318 I HA -0.264 3.919 4.170 0.022 0.000 0.242 318 I C 2.446 178.549 176.117 -0.023 0.000 1.088 318 I CA 1.674 62.972 61.300 -0.002 0.000 1.357 318 I CB -0.400 37.618 38.000 0.030 0.000 1.051 318 I HN 0.735 nan 8.210 nan 0.000 0.409 319 W N 2.404 123.635 121.300 -0.116 0.000 2.335 319 W HA -0.222 4.451 4.660 0.022 0.000 0.311 319 W C 2.356 178.733 176.519 -0.237 0.000 1.213 319 W CA 1.645 58.873 57.345 -0.194 0.000 1.274 319 W CB -0.375 28.947 29.460 -0.229 0.000 1.148 319 W HN 0.081 nan 8.180 nan 0.000 0.498 320 E N -0.391 119.372 120.200 -0.728 0.000 2.110 320 E HA -0.312 4.052 4.350 0.022 0.000 0.193 320 E C 2.008 178.237 176.600 -0.618 0.000 0.988 320 E CA 1.530 57.370 56.400 -0.933 0.000 0.804 320 E CB -0.330 29.065 29.700 -0.508 0.000 0.745 320 E HN 0.233 nan 8.360 nan 0.000 0.458 321 Q N 1.273 120.843 119.800 -0.383 0.000 2.079 321 Q HA -0.160 4.193 4.340 0.022 0.000 0.200 321 Q C 1.570 177.394 176.000 -0.294 0.000 0.974 321 Q CA 1.535 57.175 55.803 -0.272 0.000 0.840 321 Q CB 0.050 28.690 28.738 -0.164 0.000 0.898 321 Q HN 0.284 nan 8.270 nan 0.000 0.430 322 E N -0.388 119.622 120.200 -0.316 0.000 2.110 322 E HA -0.182 4.181 4.350 0.022 0.000 0.193 322 E C 1.870 178.232 176.600 -0.398 0.000 0.988 322 E CA 1.049 57.285 56.400 -0.274 0.000 0.804 322 E CB -0.204 29.383 29.700 -0.188 0.000 0.745 322 E HN 0.275 nan 8.360 nan 0.000 0.458 323 L N 1.040 121.886 121.223 -0.627 0.000 2.046 323 L HA -0.151 4.203 4.340 0.022 0.000 0.208 323 L C 2.206 178.743 176.870 -0.556 0.000 1.077 323 L CA 1.861 56.278 54.840 -0.705 0.000 0.747 323 L CB -0.630 40.834 42.059 -0.991 0.000 0.896 323 L HN 0.009 nan 8.230 nan 0.000 0.432 324 T N -0.451 113.833 114.554 -0.449 0.000 2.746 324 T HA -0.163 4.201 4.350 0.022 0.000 0.267 324 T C 1.453 176.021 174.700 -0.220 0.000 1.039 324 T CA 1.565 63.482 62.100 -0.304 0.000 1.142 324 T CB -0.381 68.342 68.868 -0.242 0.000 0.866 324 T HN 0.398 nan 8.240 nan 0.000 0.444 325 D N 0.866 121.145 120.400 -0.201 0.000 2.178 325 D HA 0.001 4.654 4.640 0.022 0.000 0.201 325 D C 2.063 178.309 176.300 -0.089 0.000 0.980 325 D CA 0.870 54.803 54.000 -0.112 0.000 0.842 325 D CB -0.259 40.493 40.800 -0.080 0.000 0.948 325 D HN 0.399 nan 8.370 nan 0.000 0.472 326 M N -0.099 119.359 119.600 -0.237 0.000 2.099 326 M HA -0.100 4.393 4.480 0.022 0.000 0.262 326 M C 2.379 178.660 176.300 -0.031 0.000 1.067 326 M CA 1.062 56.155 55.300 -0.345 0.000 1.124 326 M CB -0.175 31.984 32.600 -0.735 0.000 1.353 326 M HN -0.107 nan 8.290 nan 0.000 0.410 327 R N 0.520 120.945 120.500 -0.125 0.000 2.091 327 R HA -0.187 4.166 4.340 0.022 0.000 0.238 327 R C 2.057 178.387 176.300 0.049 0.000 1.136 327 R CA 1.764 57.868 56.100 0.007 0.000 0.959 327 R CB -0.095 30.137 30.300 -0.114 0.000 0.856 327 R HN 0.465 nan 8.270 nan 0.000 0.437 328 Q N -0.483 119.320 119.800 0.004 0.000 2.119 328 Q HA -0.157 4.196 4.340 0.022 0.000 0.201 328 Q C 2.195 178.235 176.000 0.066 0.000 0.972 328 Q CA 1.386 57.203 55.803 0.024 0.000 0.847 328 Q CB -0.091 28.644 28.738 -0.005 0.000 0.903 328 Q HN 0.282 nan 8.270 nan 0.000 0.433 329 R N 0.618 121.187 120.500 0.114 0.000 2.092 329 R HA -0.095 4.259 4.340 0.022 0.000 0.231 329 R C 2.029 178.410 176.300 0.134 0.000 1.119 329 R CA 0.986 57.171 56.100 0.142 0.000 0.970 329 R CB -0.055 30.383 30.300 0.230 0.000 0.864 329 R HN 0.259 nan 8.270 nan 0.000 0.440 330 I N 0.532 121.209 120.570 0.179 0.000 2.315 330 I HA -0.259 3.924 4.170 0.022 0.000 0.248 330 I C 2.269 178.433 176.117 0.078 0.000 1.117 330 I CA 1.230 62.607 61.300 0.129 0.000 1.404 330 I CB -0.287 37.812 38.000 0.165 0.000 1.071 330 I HN 0.260 nan 8.210 nan 0.000 0.419 331 Q N 0.376 120.224 119.800 0.080 0.000 2.084 331 Q HA -0.247 4.106 4.340 0.022 0.000 0.202 331 Q C 2.301 178.332 176.000 0.052 0.000 0.978 331 Q CA 1.439 57.279 55.803 0.061 0.000 0.844 331 Q CB -0.235 28.535 28.738 0.054 0.000 0.898 331 Q HN 0.272 nan 8.270 nan 0.000 0.426 332 R N 0.551 121.081 120.500 0.050 0.000 2.081 332 R HA -0.091 4.262 4.340 0.022 0.000 0.235 332 R C 2.015 178.341 176.300 0.044 0.000 1.131 332 R CA 1.488 57.613 56.100 0.042 0.000 0.960 332 R CB -0.234 30.090 30.300 0.040 0.000 0.856 332 R HN 0.156 nan 8.270 nan 0.000 0.436 333 M N 1.092 120.718 119.600 0.043 0.000 2.117 333 M HA -0.135 4.359 4.480 0.022 0.000 0.262 333 M C 2.116 178.451 176.300 0.059 0.000 1.065 333 M CA 2.024 57.345 55.300 0.036 0.000 1.114 333 M CB -0.868 31.734 32.600 0.003 0.000 1.361 333 M HN 0.302 nan 8.290 nan 0.000 0.408 334 R N -0.373 120.158 120.500 0.052 0.000 2.148 334 R HA -0.122 4.232 4.340 0.022 0.000 0.227 334 R C 2.013 178.379 176.300 0.110 0.000 1.103 334 R CA 1.277 57.431 56.100 0.089 0.000 0.983 334 R CB -0.713 29.623 30.300 0.061 0.000 0.874 334 R HN 0.469 nan 8.270 nan 0.000 0.451 335 Q N 0.615 120.455 119.800 0.066 0.000 2.123 335 Q HA -0.082 4.271 4.340 0.022 0.000 0.199 335 Q C 1.875 177.894 176.000 0.032 0.000 0.966 335 Q CA 0.861 56.688 55.803 0.039 0.000 0.845 335 Q CB 0.116 28.872 28.738 0.030 0.000 0.907 335 Q HN 0.350 nan 8.270 nan 0.000 0.439 336 L N 0.114 121.368 121.223 0.052 0.000 2.156 336 L HA -0.055 4.298 4.340 0.022 0.000 0.208 336 L C 1.870 178.777 176.870 0.062 0.000 1.095 336 L CA 1.254 56.120 54.840 0.043 0.000 0.770 336 L CB -0.634 41.454 42.059 0.048 0.000 0.914 336 L HN 0.278 nan 8.230 nan 0.000 0.439 337 F N -0.721 119.184 119.950 -0.076 0.000 2.051 337 F HA -0.186 4.355 4.527 0.023 0.000 0.296 337 F C 2.259 177.985 175.800 -0.123 0.000 1.122 337 F CA 1.950 59.885 58.000 -0.108 0.000 1.201 337 F CB -0.768 38.144 39.000 -0.148 0.000 0.978 337 F HN -0.117 nan 8.300 nan 0.000 0.472 338 V N 1.185 120.966 119.914 -0.222 0.000 2.282 338 V HA -0.376 3.758 4.120 0.022 0.000 0.249 338 V C 2.302 178.246 176.094 -0.249 0.000 1.057 338 V CA 2.253 64.368 62.300 -0.309 0.000 1.032 338 V CB -0.982 30.754 31.823 -0.144 0.000 0.645 338 V HN 0.360 nan 8.190 nan 0.000 0.447 339 N N 0.269 118.882 118.700 -0.145 0.000 2.043 339 N HA -0.148 4.606 4.740 0.022 0.000 0.193 339 N C 1.927 177.357 175.510 -0.134 0.000 1.037 339 N CA 2.133 55.116 53.050 -0.112 0.000 0.851 339 N CB -0.916 37.535 38.487 -0.060 0.000 1.027 339 N HN 0.475 nan 8.380 nan 0.000 0.422 340 T N 1.715 116.190 114.554 -0.133 0.000 2.849 340 T HA -0.023 4.340 4.350 0.022 0.000 0.270 340 T C 2.070 176.655 174.700 -0.191 0.000 1.066 340 T CA 0.571 62.596 62.100 -0.126 0.000 1.130 340 T CB -0.181 68.641 68.868 -0.077 0.000 0.864 340 T HN 0.139 nan 8.240 nan 0.000 0.481 341 L N 1.017 122.054 121.223 -0.310 0.000 2.005 341 L HA -0.169 4.185 4.340 0.022 0.000 0.207 341 L C 3.038 179.746 176.870 -0.269 0.000 1.072 341 L CA 1.482 56.104 54.840 -0.362 0.000 0.744 341 L CB -0.610 41.112 42.059 -0.563 0.000 0.895 341 L HN 0.424 nan 8.230 nan 0.000 0.433 342 Q N -0.215 119.443 119.800 -0.236 0.000 2.167 342 Q HA -0.269 4.085 4.340 0.022 0.000 0.202 342 Q C 1.885 177.807 176.000 -0.130 0.000 0.970 342 Q CA 1.674 57.373 55.803 -0.174 0.000 0.855 342 Q CB -0.446 28.208 28.738 -0.140 0.000 0.911 342 Q HN 0.527 nan 8.270 nan 0.000 0.438 343 E N 1.057 121.184 120.200 -0.121 0.000 2.150 343 E HA -0.175 4.189 4.350 0.022 0.000 0.193 343 E C 1.223 177.771 176.600 -0.087 0.000 0.985 343 E CA 0.905 57.252 56.400 -0.089 0.000 0.814 343 E CB 0.243 29.895 29.700 -0.078 0.000 0.752 343 E HN 0.113 nan 8.360 nan 0.000 0.466 344 K N -0.642 119.692 120.400 -0.110 0.000 2.426 344 K HA 0.126 4.460 4.320 0.022 0.000 0.193 344 K C 0.374 176.913 176.600 -0.103 0.000 1.028 344 K CA 0.710 56.937 56.287 -0.101 0.000 1.047 344 K CB 0.759 33.190 32.500 -0.116 0.000 0.821 344 K HN 0.254 nan 8.250 nan 0.000 0.513 345 G N 0.353 109.083 108.800 -0.117 0.000 2.370 345 G HA2 -0.181 3.792 3.960 0.022 0.000 0.268 345 G HA3 -0.181 3.792 3.960 0.022 0.000 0.268 345 G C -0.064 174.754 174.900 -0.137 0.000 1.122 345 G CA -0.071 44.963 45.100 -0.110 0.000 0.963 345 G HN 0.416 nan 8.290 nan 0.000 0.500 346 A N -0.011 122.693 122.820 -0.194 0.000 2.450 346 A HA 0.607 4.940 4.320 0.022 0.000 0.255 346 A C 1.328 178.784 177.584 -0.213 0.000 1.096 346 A CA 0.575 52.463 52.037 -0.248 0.000 0.778 346 A CB 0.223 18.981 19.000 -0.404 0.000 1.031 346 A HN 1.386 nan 8.150 nan 0.000 0.494 347 N N 1.987 120.583 118.700 -0.173 0.000 2.331 347 N HA -0.098 4.656 4.740 0.022 0.000 0.180 347 N C 0.706 176.142 175.510 -0.124 0.000 1.019 347 N CA 1.063 54.042 53.050 -0.118 0.000 0.881 347 N CB 0.049 38.492 38.487 -0.073 0.000 0.972 347 N HN 0.679 nan 8.380 nan 0.000 0.435 348 R N 0.139 120.514 120.500 -0.208 0.000 2.486 348 R HA 0.198 4.552 4.340 0.022 0.000 0.286 348 R C -1.434 174.715 176.300 -0.253 0.000 0.999 348 R CA -0.709 55.291 56.100 -0.167 0.000 0.993 348 R CB 0.795 31.028 30.300 -0.112 0.000 1.084 348 R HN 0.091 nan 8.270 nan 0.000 0.487 349 D N 2.844 123.237 120.400 -0.012 0.000 2.316 349 D HA 0.097 4.750 4.640 0.022 0.000 0.245 349 D C -0.418 176.060 176.300 0.297 0.000 1.171 349 D CA -0.191 53.837 54.000 0.048 0.000 0.856 349 D CB 0.464 41.328 40.800 0.106 0.000 1.090 349 D HN 0.402 nan 8.370 nan 0.000 0.476 350 F N 2.129 122.001 119.950 -0.131 0.000 2.641 350 F HA 0.149 4.690 4.527 0.022 0.000 0.302 350 F C 2.118 177.570 175.800 -0.580 0.000 1.098 350 F CA -0.374 57.358 58.000 -0.446 0.000 1.318 350 F CB -0.587 38.119 39.000 -0.490 0.000 1.035 350 F HN 0.343 nan 8.300 nan 0.000 0.551 351 S N 0.734 116.393 115.700 -0.067 0.000 2.440 351 S HA -0.251 4.232 4.470 0.022 0.000 0.240 351 S C 1.951 176.532 174.600 -0.033 0.000 1.014 351 S CA 1.433 59.606 58.200 -0.044 0.000 0.980 351 S CB -0.775 62.451 63.200 0.043 0.000 0.775 351 S HN 0.572 nan 8.310 nan 0.000 0.499 352 F N 1.843 121.842 119.950 0.082 0.000 2.333 352 F HA -0.040 4.501 4.527 0.022 0.000 0.300 352 F C 2.049 177.918 175.800 0.116 0.000 1.083 352 F CA 0.936 58.976 58.000 0.067 0.000 1.395 352 F CB -1.937 37.031 39.000 -0.054 0.000 1.056 352 F HN -0.039 nan 8.300 nan 0.000 0.529 353 T N 2.117 116.471 114.554 -0.333 0.000 2.699 353 T HA -0.204 4.159 4.350 0.022 0.000 0.268 353 T C 2.010 176.771 174.700 0.102 0.000 1.036 353 T CA 2.097 64.180 62.100 -0.030 0.000 1.147 353 T CB -0.564 68.236 68.868 -0.113 0.000 0.862 353 T HN 0.410 nan 8.240 nan 0.000 0.446 354 I N 0.279 120.885 120.570 0.060 0.000 2.530 354 I HA -0.142 4.042 4.170 0.022 0.000 0.257 354 I C 2.032 178.215 176.117 0.110 0.000 1.179 354 I CA 1.077 62.424 61.300 0.079 0.000 1.440 354 I CB -0.161 37.872 38.000 0.055 0.000 1.087 354 I HN 0.081 nan 8.210 nan 0.000 0.440 355 K N 0.462 120.952 120.400 0.151 0.000 2.426 355 K HA 0.083 4.417 4.320 0.022 0.000 0.193 355 K C 0.294 176.999 176.600 0.175 0.000 1.028 355 K CA 0.232 56.615 56.287 0.160 0.000 1.047 355 K CB -0.013 32.598 32.500 0.186 0.000 0.821 355 K HN 0.336 nan 8.250 nan 0.000 0.513 356 Q N 0.687 120.604 119.800 0.194 0.000 2.304 356 Q HA 0.170 4.524 4.340 0.022 0.000 0.260 356 Q C -0.770 175.310 176.000 0.132 0.000 0.965 356 Q CA -0.067 55.851 55.803 0.191 0.000 0.898 356 Q CB 0.804 29.682 28.738 0.234 0.000 1.196 356 Q HN 0.171 nan 8.270 nan 0.000 0.402 357 N N 0.713 119.483 118.700 0.116 0.000 2.498 357 N HA 0.611 5.364 4.740 0.022 0.000 0.287 357 N C 0.015 175.526 175.510 0.002 0.000 1.097 357 N CA 0.262 53.361 53.050 0.082 0.000 0.973 357 N CB 1.449 40.001 38.487 0.108 0.000 1.153 357 N HN 0.765 nan 8.380 nan 0.000 0.472 358 G N 0.654 109.433 108.800 -0.035 0.000 2.408 358 G HA2 -0.216 3.757 3.960 0.022 0.000 0.204 358 G HA3 -0.216 3.757 3.960 0.022 0.000 0.204 358 G C 0.053 174.760 174.900 -0.323 0.000 1.186 358 G CA -0.438 44.515 45.100 -0.245 0.000 1.139 358 G HN 0.473 nan 8.290 nan 0.000 0.563 359 M N -0.011 119.166 119.600 -0.704 0.000 2.308 359 M HA 0.412 4.906 4.480 0.022 0.000 0.269 359 M C -0.155 175.724 176.300 -0.701 0.000 1.040 359 M CA 0.380 55.242 55.300 -0.731 0.000 1.024 359 M CB 0.513 32.517 32.600 -0.993 0.000 1.465 359 M HN 0.204 nan 8.290 nan 0.000 0.517 360 F N -0.366 119.537 119.950 -0.078 0.000 2.509 360 F HA 0.538 5.078 4.527 0.022 0.000 0.334 360 F C -0.488 175.370 175.800 0.098 0.000 1.060 360 F CA -1.558 56.438 58.000 -0.007 0.000 0.997 360 F CB 0.702 39.677 39.000 -0.041 0.000 1.271 360 F HN -0.185 nan 8.300 nan 0.000 0.488 361 F N 2.634 122.711 119.950 0.212 0.000 2.477 361 F HA 0.639 5.179 4.527 0.022 0.000 0.335 361 F C -1.888 174.044 175.800 0.220 0.000 1.130 361 F CA -2.006 56.065 58.000 0.118 0.000 0.948 361 F CB 1.141 40.115 39.000 -0.043 0.000 1.154 361 F HN 0.280 nan 8.300 nan 0.000 0.439 362 F N 4.928 124.506 119.950 -0.620 0.000 2.578 362 F HA 0.647 5.187 4.527 0.022 0.000 0.311 362 F C 0.263 175.780 175.800 -0.473 0.000 1.094 362 F CA 0.152 57.810 58.000 -0.569 0.000 0.923 362 F CB 2.313 41.139 39.000 -0.290 0.000 1.230 362 F HN 0.789 nan 8.300 nan 0.000 0.450 363 G N 2.754 110.832 108.800 -1.203 0.000 2.428 363 G HA2 -0.193 3.781 3.960 0.022 0.000 0.199 363 G HA3 -0.193 3.781 3.960 0.022 0.000 0.199 363 G C 1.009 175.736 174.900 -0.288 0.000 1.005 363 G CA 0.079 44.809 45.100 -0.615 0.000 0.671 363 G HN 1.422 nan 8.290 nan 0.000 0.485 364 G N 0.153 108.748 108.800 -0.341 0.000 2.426 364 G HA2 0.416 4.390 3.960 0.022 0.000 0.214 364 G HA3 0.416 4.390 3.960 0.022 0.000 0.214 364 G C 0.729 175.719 174.900 0.150 0.000 1.156 364 G CA 0.902 46.012 45.100 0.016 0.000 0.802 364 G HN 0.443 nan 8.290 nan 0.000 0.534 365 L N 1.342 122.574 121.223 0.014 0.000 2.375 365 L HA 0.468 4.821 4.340 0.022 0.000 0.268 365 L C 0.795 177.655 176.870 -0.017 0.000 1.058 365 L CA -0.318 54.559 54.840 0.063 0.000 0.803 365 L CB 1.045 43.165 42.059 0.101 0.000 1.212 365 L HN 0.168 nan 8.230 nan 0.000 0.451 366 T N -2.468 112.101 114.554 0.025 0.000 2.948 366 T HA 0.309 4.673 4.350 0.022 0.000 0.285 366 T C 0.993 175.701 174.700 0.013 0.000 1.019 366 T CA -0.729 61.376 62.100 0.008 0.000 1.013 366 T CB 1.774 70.657 68.868 0.025 0.000 1.117 366 T HN 0.618 nan 8.240 nan 0.000 0.533 367 K N 0.212 120.617 120.400 0.009 0.000 2.113 367 K HA -0.226 4.108 4.320 0.022 0.000 0.208 367 K C 1.721 178.331 176.600 0.017 0.000 1.047 367 K CA 1.992 58.286 56.287 0.012 0.000 0.928 367 K CB -0.147 32.359 32.500 0.010 0.000 0.716 367 K HN 0.674 nan 8.250 nan 0.000 0.446 368 E N 0.399 120.612 120.200 0.022 0.000 2.107 368 E HA -0.124 4.240 4.350 0.022 0.000 0.191 368 E C 2.066 178.690 176.600 0.040 0.000 0.982 368 E CA 1.106 57.522 56.400 0.027 0.000 0.809 368 E CB 0.020 29.736 29.700 0.027 0.000 0.756 368 E HN 0.362 nan 8.360 nan 0.000 0.459 369 Q N 0.110 119.940 119.800 0.050 0.000 2.084 369 Q HA -0.138 4.215 4.340 0.022 0.000 0.202 369 Q C 2.374 178.415 176.000 0.069 0.000 0.978 369 Q CA 1.882 57.727 55.803 0.070 0.000 0.844 369 Q CB -0.218 28.571 28.738 0.085 0.000 0.898 369 Q HN 0.395 nan 8.270 nan 0.000 0.426 370 V N -1.406 118.538 119.914 0.051 0.000 2.515 370 V HA -0.179 3.954 4.120 0.022 0.000 0.250 370 V C 2.079 178.180 176.094 0.013 0.000 1.058 370 V CA 1.216 63.539 62.300 0.039 0.000 1.064 370 V CB -0.682 31.159 31.823 0.031 0.000 0.675 370 V HN 0.225 nan 8.190 nan 0.000 0.461 371 L N 0.860 122.090 121.223 0.012 0.000 2.046 371 L HA -0.039 4.314 4.340 0.022 0.000 0.208 371 L C 2.760 179.628 176.870 -0.003 0.000 1.077 371 L CA 2.434 57.270 54.840 -0.007 0.000 0.747 371 L CB -0.927 41.133 42.059 0.002 0.000 0.896 371 L HN 0.375 nan 8.230 nan 0.000 0.432 372 R N -0.923 119.599 120.500 0.035 0.000 2.092 372 R HA -0.114 4.240 4.340 0.022 0.000 0.231 372 R C 2.296 178.673 176.300 0.128 0.000 1.119 372 R CA 1.387 57.526 56.100 0.065 0.000 0.970 372 R CB -0.276 30.085 30.300 0.102 0.000 0.864 372 R HN 0.425 nan 8.270 nan 0.000 0.440 373 L N 0.840 122.148 121.223 0.142 0.000 1.989 373 L HA -0.240 4.113 4.340 0.022 0.000 0.211 373 L C 2.816 179.727 176.870 0.069 0.000 1.071 373 L CA 2.085 57.041 54.840 0.193 0.000 0.749 373 L CB -0.503 41.609 42.059 0.087 0.000 0.890 373 L HN 0.334 nan 8.230 nan 0.000 0.431 374 R N -0.314 120.111 120.500 -0.124 0.000 2.075 374 R HA -0.160 4.193 4.340 0.022 0.000 0.232 374 R C 1.955 178.109 176.300 -0.243 0.000 1.126 374 R CA 1.292 57.153 56.100 -0.398 0.000 0.963 374 R CB -0.371 29.511 30.300 -0.697 0.000 0.858 374 R HN 0.168 nan 8.270 nan 0.000 0.435 375 E N 0.954 121.078 120.200 -0.127 0.000 2.015 375 E HA -0.183 4.181 4.350 0.022 0.000 0.191 375 E C 1.905 178.438 176.600 -0.112 0.000 0.991 375 E CA 1.841 58.186 56.400 -0.091 0.000 0.802 375 E CB -0.045 29.618 29.700 -0.063 0.000 0.759 375 E HN 0.557 nan 8.360 nan 0.000 0.447 376 E N -1.459 118.645 120.200 -0.160 0.000 2.122 376 E HA -0.071 4.292 4.350 0.022 0.000 0.190 376 E C 1.056 177.335 176.600 -0.534 0.000 0.977 376 E CA 0.650 56.814 56.400 -0.394 0.000 0.820 376 E CB 0.059 29.405 29.700 -0.589 0.000 0.770 376 E HN 0.242 nan 8.360 nan 0.000 0.462 377 F N -0.881 119.054 119.950 -0.025 0.000 2.704 377 F HA 0.367 4.908 4.527 0.022 0.000 0.304 377 F C 1.355 177.154 175.800 -0.002 0.000 1.094 377 F CA 0.346 58.342 58.000 -0.007 0.000 1.275 377 F CB 1.224 40.226 39.000 0.003 0.000 1.073 377 F HN 0.129 nan 8.300 nan 0.000 0.586 378 G N 1.359 110.211 108.800 0.087 0.000 2.198 378 G HA2 -0.253 3.721 3.960 0.022 0.000 0.260 378 G HA3 -0.253 3.721 3.960 0.022 0.000 0.260 378 G C -0.155 174.813 174.900 0.113 0.000 1.025 378 G CA 0.171 45.318 45.100 0.079 0.000 0.769 378 G HN 0.169 nan 8.290 nan 0.000 0.507 379 V N 0.630 120.561 119.914 0.027 0.000 2.407 379 V HA 0.542 4.675 4.120 0.022 0.000 0.278 379 V C -0.062 175.989 176.094 -0.073 0.000 1.037 379 V CA -0.794 61.556 62.300 0.083 0.000 0.900 379 V CB 0.912 32.787 31.823 0.087 0.000 0.983 379 V HN 0.239 nan 8.190 nan 0.000 0.459 380 Y N 3.392 123.731 120.300 0.064 0.000 2.331 380 Y HA 0.752 5.316 4.550 0.024 0.000 0.338 380 Y C 0.429 176.360 175.900 0.052 0.000 0.976 380 Y CA -0.263 57.868 58.100 0.053 0.000 1.137 380 Y CB 1.721 40.204 38.460 0.038 0.000 1.172 380 Y HN 0.766 nan 8.280 nan 0.000 0.478 381 A N 1.760 124.668 122.820 0.147 0.000 2.564 381 A HA 0.819 5.153 4.320 0.022 0.000 0.288 381 A C -1.417 176.215 177.584 0.081 0.000 1.164 381 A CA -0.836 51.268 52.037 0.112 0.000 0.712 381 A CB 0.720 19.777 19.000 0.095 0.000 1.303 381 A HN 0.389 nan 8.150 nan 0.000 0.418 382 V N 1.051 120.996 119.914 0.051 0.000 2.649 382 V HA 0.398 4.531 4.120 0.022 0.000 0.292 382 V C 1.751 177.859 176.094 0.023 0.000 1.055 382 V CA 0.501 62.815 62.300 0.024 0.000 1.023 382 V CB 1.075 32.888 31.823 -0.018 0.000 0.992 382 V HN 1.369 nan 8.190 nan 0.000 0.480 383 A N 3.137 125.967 122.820 0.017 0.000 2.131 383 A HA -0.131 4.202 4.320 0.022 0.000 0.220 383 A C 2.161 179.756 177.584 0.018 0.000 1.158 383 A CA 1.836 53.881 52.037 0.014 0.000 0.665 383 A CB -0.551 18.453 19.000 0.008 0.000 0.795 383 A HN 1.071 nan 8.150 nan 0.000 0.460 384 S N -1.950 113.771 115.700 0.034 0.000 2.561 384 S HA 0.345 4.829 4.470 0.022 0.000 0.225 384 S C 1.366 175.988 174.600 0.037 0.000 0.977 384 S CA 0.928 59.177 58.200 0.082 0.000 0.926 384 S CB -0.407 62.887 63.200 0.156 0.000 0.769 384 S HN 1.919 nan 8.310 nan 0.000 0.533 385 G N 1.212 110.008 108.800 -0.007 0.000 2.132 385 G HA2 -0.251 3.722 3.960 0.022 0.000 0.228 385 G HA3 -0.251 3.722 3.960 0.022 0.000 0.228 385 G C -0.078 174.768 174.900 -0.090 0.000 1.000 385 G CA -0.092 44.955 45.100 -0.089 0.000 0.693 385 G HN 0.650 nan 8.290 nan 0.000 0.515 386 R N -0.148 120.376 120.500 0.039 0.000 2.229 386 R HA 0.641 4.995 4.340 0.022 0.000 0.328 386 R C -0.709 175.627 176.300 0.061 0.000 1.009 386 R CA -0.678 55.456 56.100 0.057 0.000 0.864 386 R CB 0.358 30.629 30.300 -0.049 0.000 1.085 386 R HN 0.089 nan 8.270 nan 0.000 0.453 387 L N 3.580 124.896 121.223 0.154 0.000 2.346 387 L HA 0.296 4.650 4.340 0.022 0.000 0.276 387 L C -0.094 176.957 176.870 0.302 0.000 1.006 387 L CA -0.673 54.288 54.840 0.202 0.000 0.817 387 L CB 1.548 43.737 42.059 0.216 0.000 1.272 387 L HN 0.531 nan 8.230 nan 0.000 0.421 388 N N 1.873 120.735 118.700 0.269 0.000 2.415 388 N HA 0.084 4.838 4.740 0.022 0.000 0.250 388 N C 0.772 176.295 175.510 0.021 0.000 1.127 388 N CA 0.060 53.257 53.050 0.244 0.000 0.945 388 N CB 0.966 39.579 38.487 0.210 0.000 1.196 388 N HN 0.419 nan 8.380 nan 0.000 0.499 389 V N 3.324 123.211 119.914 -0.045 0.000 2.490 389 V HA -0.208 3.926 4.120 0.022 0.000 0.250 389 V C 2.160 178.186 176.094 -0.115 0.000 1.061 389 V CA 2.050 64.268 62.300 -0.137 0.000 1.064 389 V CB -0.982 30.767 31.823 -0.123 0.000 0.670 389 V HN 0.775 nan 8.190 nan 0.000 0.461 390 A N 0.395 123.152 122.820 -0.105 0.000 2.178 390 A HA 0.013 4.346 4.320 0.022 0.000 0.218 390 A C 2.198 179.683 177.584 -0.165 0.000 1.157 390 A CA 1.439 53.415 52.037 -0.101 0.000 0.689 390 A CB -0.658 18.328 19.000 -0.024 0.000 0.787 390 A HN 0.553 nan 8.150 nan 0.000 0.465 391 G N -1.428 107.307 108.800 -0.108 0.000 2.838 391 G HA2 0.279 4.253 3.960 0.022 0.000 0.210 391 G HA3 0.279 4.253 3.960 0.022 0.000 0.210 391 G C 0.614 175.461 174.900 -0.089 0.000 1.153 391 G CA -0.293 44.751 45.100 -0.093 0.000 0.778 391 G HN 0.449 nan 8.290 nan 0.000 0.539 392 M N 2.119 121.658 119.600 -0.101 0.000 2.217 392 M HA 0.363 4.856 4.480 0.022 0.000 0.354 392 M C 0.254 176.514 176.300 -0.067 0.000 1.225 392 M CA 0.147 55.397 55.300 -0.084 0.000 1.137 392 M CB 1.369 33.896 32.600 -0.121 0.000 1.576 392 M HN 0.142 nan 8.290 nan 0.000 0.461 393 T N -0.199 114.332 114.554 -0.038 0.000 2.883 393 T HA 0.470 4.834 4.350 0.022 0.000 0.296 393 T C -2.524 172.174 174.700 -0.004 0.000 1.117 393 T CA -1.800 60.283 62.100 -0.029 0.000 1.006 393 T CB 1.739 70.586 68.868 -0.035 0.000 1.191 393 T HN 0.258 nan 8.240 nan 0.000 0.508 394 P HA -0.076 nan 4.420 nan 0.000 0.216 394 P C 0.573 177.880 177.300 0.011 0.000 1.150 394 P CA 1.277 64.383 63.100 0.010 0.000 0.843 394 P CB -0.040 31.665 31.700 0.009 0.000 0.787 395 D N -1.662 118.743 120.400 0.008 0.000 2.224 395 D HA -0.108 4.545 4.640 0.022 0.000 0.205 395 D C 1.393 177.703 176.300 0.016 0.000 0.965 395 D CA 0.931 54.938 54.000 0.011 0.000 0.852 395 D CB -0.500 40.306 40.800 0.009 0.000 0.947 395 D HN 0.314 nan 8.370 nan 0.000 0.494 396 N N -0.012 118.698 118.700 0.016 0.000 2.254 396 N HA -0.042 4.711 4.740 0.022 0.000 0.190 396 N C 1.434 176.964 175.510 0.034 0.000 1.107 396 N CA -0.060 53.005 53.050 0.025 0.000 0.869 396 N CB -0.281 38.219 38.487 0.023 0.000 0.983 396 N HN 0.038 nan 8.380 nan 0.000 0.487 397 L N 0.742 121.987 121.223 0.036 0.000 2.012 397 L HA 0.020 4.374 4.340 0.022 0.000 0.210 397 L C 2.133 179.036 176.870 0.054 0.000 1.073 397 L CA 1.930 56.808 54.840 0.062 0.000 0.748 397 L CB -1.386 40.709 42.059 0.060 0.000 0.891 397 L HN 0.323 nan 8.230 nan 0.000 0.431 398 A N 0.309 123.146 122.820 0.029 0.000 1.845 398 A HA -0.122 4.212 4.320 0.022 0.000 0.215 398 A C 0.008 177.597 177.584 0.009 0.000 1.195 398 A CA 1.584 53.628 52.037 0.011 0.000 0.616 398 A CB -1.909 17.095 19.000 0.007 0.000 0.832 398 A HN 0.349 nan 8.150 nan 0.000 0.443 399 P HA -0.157 nan 4.420 nan 0.000 0.215 399 P C 1.817 179.120 177.300 0.004 0.000 1.153 399 P CA 0.772 63.886 63.100 0.023 0.000 0.853 399 P CB -0.124 31.604 31.700 0.045 0.000 0.788 400 L N -0.511 120.728 121.223 0.026 0.000 2.012 400 L HA -0.207 4.146 4.340 0.022 0.000 0.210 400 L C 1.812 178.695 176.870 0.022 0.000 1.073 400 L CA 2.285 57.148 54.840 0.038 0.000 0.748 400 L CB -1.201 40.906 42.059 0.080 0.000 0.891 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 C N 0.245 119.561 119.300 0.028 0.000 2.435 401 C HA -0.108 4.365 4.460 0.022 0.000 0.279 401 C C 2.520 177.446 174.990 -0.106 0.000 1.321 401 C CA 0.527 59.525 59.018 -0.032 0.000 1.752 401 C CB -0.723 26.976 27.740 -0.067 0.000 1.959 401 C HN 0.553 nan 8.230 nan 0.000 0.500 402 E N 1.135 121.272 120.200 -0.104 0.000 2.110 402 E HA -0.148 4.215 4.350 0.022 0.000 0.193 402 E C 2.367 178.795 176.600 -0.287 0.000 0.988 402 E CA 1.313 57.633 56.400 -0.132 0.000 0.804 402 E CB -0.223 29.438 29.700 -0.065 0.000 0.745 402 E HN 0.673 nan 8.360 nan 0.000 0.458 403 A N 1.297 123.859 122.820 -0.429 0.000 1.858 403 A HA -0.189 4.145 4.320 0.022 0.000 0.216 403 A C 2.196 179.385 177.584 -0.658 0.000 1.190 403 A CA 1.174 52.594 52.037 -1.028 0.000 0.617 403 A CB -0.644 17.883 19.000 -0.789 0.000 0.827 403 A HN 0.138 nan 8.150 nan 0.000 0.443 404 I N -0.256 120.145 120.570 -0.283 0.000 2.163 404 I HA -0.226 3.957 4.170 0.022 0.000 0.243 404 I C 2.286 178.332 176.117 -0.119 0.000 1.085 404 I CA 1.251 62.485 61.300 -0.109 0.000 1.347 404 I CB -0.334 37.691 38.000 0.042 0.000 1.044 404 I HN 0.151 nan 8.210 nan 0.000 0.408 405 V N 1.090 120.910 119.914 -0.156 0.000 2.594 405 V HA -0.166 3.968 4.120 0.022 0.000 0.253 405 V C 1.526 177.561 176.094 -0.097 0.000 1.069 405 V CA 1.190 63.408 62.300 -0.136 0.000 1.082 405 V CB -1.157 30.583 31.823 -0.138 0.000 0.680 405 V HN 0.422 nan 8.190 nan 0.000 0.469 409 L N 0.000 121.236 121.223 0.022 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.855 54.840 0.026 0.000 0.813 409 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502