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 2c0p_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.614 176.600 0.023 0.000 1.382 1 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1 E CB 0.000 29.717 29.700 0.029 0.000 0.812 2 G N 2.281 111.094 108.800 0.021 0.000 3.826 2 G HA2 -0.168 3.795 3.960 0.005 0.000 0.194 2 G HA3 -0.168 3.795 3.960 0.005 0.000 0.194 2 G C 0.600 175.510 174.900 0.017 0.000 2.087 2 G CA 0.154 45.264 45.100 0.017 0.000 1.230 2 G HN 0.371 nan 8.290 nan 0.000 0.393 3 R N 1.948 122.458 120.500 0.018 0.000 2.312 3 R HA 0.331 4.673 4.340 0.005 0.000 0.205 3 R C 1.105 177.417 176.300 0.020 0.000 0.904 3 R CA 0.879 56.989 56.100 0.017 0.000 1.052 3 R CB 0.169 30.477 30.300 0.013 0.000 1.014 3 R HN 0.740 nan 8.270 nan 0.000 0.503 4 E N -0.346 119.869 120.200 0.025 0.000 2.292 4 E HA 0.098 4.451 4.350 0.005 0.000 0.258 4 E C -0.788 175.836 176.600 0.040 0.000 1.115 4 E CA -0.827 55.591 56.400 0.030 0.000 0.929 4 E CB 0.508 30.227 29.700 0.031 0.000 1.161 4 E HN -0.186 nan 8.360 nan 0.000 0.453 5 D N 1.650 122.081 120.400 0.051 0.000 2.363 5 D HA 0.024 4.667 4.640 0.005 0.000 0.263 5 D C -1.294 175.045 176.300 0.065 0.000 1.258 5 D CA -2.156 51.888 54.000 0.073 0.000 0.907 5 D CB 1.012 41.879 40.800 0.111 0.000 1.107 5 D HN 0.193 nan 8.370 nan 0.000 0.495 6 P HA -0.162 nan 4.420 nan 0.000 0.223 6 P C 0.927 178.238 177.300 0.018 0.000 1.144 6 P CA 0.774 63.891 63.100 0.027 0.000 0.783 6 P CB 0.444 32.152 31.700 0.012 0.000 0.771 7 Q N -0.906 118.894 119.800 -0.000 0.000 2.444 7 Q HA 0.143 4.485 4.340 0.005 0.000 0.206 7 Q C 1.690 177.740 176.000 0.084 0.000 0.948 7 Q CA 0.475 56.246 55.803 -0.054 0.000 0.946 7 Q CB 0.084 28.618 28.738 -0.340 0.000 1.027 7 Q HN 0.415 nan 8.270 nan 0.000 0.513 8 L N -0.146 121.157 121.223 0.134 0.000 2.766 8 L HA 0.251 4.594 4.340 0.005 0.000 0.242 8 L C 0.013 177.069 176.870 0.310 0.000 1.136 8 L CA 0.043 55.001 54.840 0.197 0.000 0.933 8 L CB 0.528 42.632 42.059 0.075 0.000 1.241 8 L HN -0.033 nan 8.230 nan 0.000 0.522 9 L N 0.711 122.061 121.223 0.211 0.000 2.287 9 L HA 0.559 4.902 4.340 0.005 0.000 0.287 9 L C -0.664 176.262 176.870 0.094 0.000 1.022 9 L CA -0.445 54.498 54.840 0.172 0.000 0.814 9 L CB 1.869 43.986 42.059 0.095 0.000 1.217 9 L HN -0.255 nan 8.230 nan 0.000 0.420 10 V N 3.201 123.140 119.914 0.042 0.000 2.925 10 V HA 0.512 4.635 4.120 0.005 0.000 0.311 10 V C -0.476 175.526 176.094 -0.154 0.000 1.104 10 V CA -0.751 61.423 62.300 -0.211 0.000 0.954 10 V CB 2.866 34.295 31.823 -0.657 0.000 1.022 10 V HN 0.734 nan 8.190 nan 0.000 0.427 11 R N 2.226 122.603 120.500 -0.206 0.000 2.393 11 R HA 0.820 5.163 4.340 0.005 0.000 0.310 11 R C -0.888 175.297 176.300 -0.191 0.000 0.968 11 R CA -0.319 55.699 56.100 -0.137 0.000 0.867 11 R CB 1.810 32.036 30.300 -0.122 0.000 1.124 11 R HN 0.696 nan 8.270 nan 0.000 0.450 12 V N 1.726 121.586 119.914 -0.091 0.000 3.181 12 V HA 0.513 4.636 4.120 0.005 0.000 0.314 12 V C 1.046 177.051 176.094 -0.148 0.000 1.173 12 V CA -0.976 61.263 62.300 -0.101 0.000 1.052 12 V CB 1.651 33.549 31.823 0.124 0.000 1.123 12 V HN 0.861 nan 8.190 nan 0.000 0.454 13 R N 1.280 121.680 120.500 -0.168 0.000 2.127 13 R HA 0.016 4.359 4.340 0.005 0.000 0.238 13 R C 1.710 177.879 176.300 -0.218 0.000 1.134 13 R CA 2.405 58.406 56.100 -0.166 0.000 0.975 13 R CB -1.105 29.113 30.300 -0.137 0.000 0.865 13 R HN 1.036 nan 8.270 nan 0.000 0.447 14 G N -1.922 106.710 108.800 -0.279 0.000 2.880 14 G HA2 0.410 4.373 3.960 0.005 0.000 0.209 14 G HA3 0.410 4.373 3.960 0.005 0.000 0.209 14 G C 0.337 174.341 174.900 -1.492 0.000 1.157 14 G CA 0.274 44.989 45.100 -0.641 0.000 0.779 14 G HN 0.717 nan 8.290 nan 0.000 0.539 15 G N -1.049 107.075 108.800 -1.126 0.000 2.332 15 G HA2 0.217 4.180 3.960 0.005 0.000 0.265 15 G HA3 0.217 4.180 3.960 0.005 0.000 0.265 15 G C -1.508 173.251 174.900 -0.235 0.000 1.329 15 G CA -0.914 43.567 45.100 -1.032 0.000 0.949 15 G HN 0.234 nan 8.290 nan 0.000 0.476 16 Q N -0.326 119.550 119.800 0.127 0.000 2.256 16 Q HA 0.716 5.059 4.340 0.005 0.000 0.257 16 Q C -0.692 175.589 176.000 0.468 0.000 0.936 16 Q CA -0.448 55.513 55.803 0.263 0.000 0.903 16 Q CB 2.056 30.895 28.738 0.169 0.000 1.263 16 Q HN 0.443 nan 8.270 nan 0.000 0.440 17 L N 1.793 123.217 121.223 0.335 0.000 2.362 17 L HA 0.618 4.961 4.340 0.005 0.000 0.271 17 L C -0.462 176.610 176.870 0.337 0.000 1.002 17 L CA -0.764 54.294 54.840 0.363 0.000 0.818 17 L CB 2.107 44.419 42.059 0.422 0.000 1.298 17 L HN 0.415 nan 8.230 nan 0.000 0.420 18 R N 0.980 121.651 120.500 0.285 0.000 2.343 18 R HA 0.633 4.975 4.340 0.005 0.000 0.320 18 R C -0.197 176.190 176.300 0.145 0.000 0.956 18 R CA -0.296 55.935 56.100 0.220 0.000 0.836 18 R CB 1.657 32.023 30.300 0.109 0.000 1.151 18 R HN 0.837 nan 8.270 nan 0.000 0.450 19 G N 3.332 112.122 108.800 -0.016 0.000 2.606 19 G HA2 0.469 4.432 3.960 0.005 0.000 0.262 19 G HA3 0.469 4.432 3.960 0.005 0.000 0.262 19 G C -0.961 173.716 174.900 -0.373 0.000 1.394 19 G CA -0.660 44.091 45.100 -0.581 0.000 1.044 19 G HN 0.575 nan 8.290 nan 0.000 0.553 20 I N -0.779 119.529 120.570 -0.437 0.000 2.686 20 I HA 0.477 4.650 4.170 0.005 0.000 0.295 20 I C -0.251 175.752 176.117 -0.189 0.000 1.114 20 I CA -1.070 60.084 61.300 -0.244 0.000 1.038 20 I CB 2.134 40.001 38.000 -0.221 0.000 1.238 20 I HN 0.401 nan 8.210 nan 0.000 0.420 21 R N 7.827 128.260 120.500 -0.112 0.000 2.248 21 R HA 0.492 4.835 4.340 0.005 0.000 0.328 21 R C -1.641 174.566 176.300 -0.155 0.000 1.067 21 R CA -0.279 55.739 56.100 -0.136 0.000 0.924 21 R CB 0.441 30.623 30.300 -0.198 0.000 1.013 21 R HN 0.623 nan 8.270 nan 0.000 0.454 22 L N 3.957 125.103 121.223 -0.129 0.000 2.334 22 L HA 0.445 4.787 4.340 0.005 0.000 0.273 22 L C -0.264 176.537 176.870 -0.115 0.000 1.013 22 L CA -1.187 53.593 54.840 -0.099 0.000 0.816 22 L CB 1.899 43.935 42.059 -0.039 0.000 1.278 22 L HN 0.422 nan 8.230 nan 0.000 0.431 23 K N 1.871 122.209 120.400 -0.103 0.000 2.276 23 K HA 0.538 4.861 4.320 0.005 0.000 0.285 23 K C -0.313 176.228 176.600 -0.098 0.000 1.062 23 K CA 0.029 56.260 56.287 -0.094 0.000 0.918 23 K CB 1.488 33.946 32.500 -0.070 0.000 1.055 23 K HN 0.617 nan 8.250 nan 0.000 0.477 24 A N 4.708 127.472 122.820 -0.093 0.000 2.269 24 A HA 0.520 4.843 4.320 0.005 0.000 0.327 24 A C -1.682 175.908 177.584 0.009 0.000 1.112 24 A CA -1.570 50.414 52.037 -0.089 0.000 0.865 24 A CB 0.312 19.241 19.000 -0.117 0.000 1.227 24 A HN 0.538 nan 8.150 nan 0.000 0.498 25 P HA -0.139 nan 4.420 nan 0.000 0.215 25 P C 1.321 178.650 177.300 0.048 0.000 1.163 25 P CA 2.146 65.296 63.100 0.084 0.000 0.894 25 P CB 0.113 31.888 31.700 0.125 0.000 0.791 26 G N -2.136 106.696 108.800 0.053 0.000 3.026 26 G HA2 0.420 4.383 3.960 0.005 0.000 0.208 26 G HA3 0.420 4.383 3.960 0.005 0.000 0.208 26 G C 0.553 175.467 174.900 0.023 0.000 1.169 26 G CA 0.459 45.580 45.100 0.036 0.000 0.788 26 G HN 0.644 nan 8.290 nan 0.000 0.533 27 G N -0.461 108.343 108.800 0.007 0.000 2.334 27 G HA2 0.242 4.204 3.960 0.005 0.000 0.315 27 G HA3 0.242 4.204 3.960 0.005 0.000 0.315 27 G C -3.350 171.525 174.900 -0.041 0.000 1.284 27 G CA -0.568 44.526 45.100 -0.011 0.000 0.985 27 G HN 0.125 nan 8.290 nan 0.000 0.504 28 P HA 0.589 nan 4.420 nan 0.000 0.279 28 P C -0.131 177.138 177.300 -0.053 0.000 1.252 28 P CA -0.333 62.661 63.100 -0.177 0.000 0.811 28 P CB 1.728 33.151 31.700 -0.461 0.000 1.035 29 V N -1.807 118.088 119.914 -0.032 0.000 2.962 29 V HA 0.642 4.764 4.120 0.005 0.000 0.313 29 V C -0.393 175.813 176.094 0.186 0.000 1.099 29 V CA -0.884 61.499 62.300 0.138 0.000 0.971 29 V CB 1.728 33.633 31.823 0.137 0.000 1.028 29 V HN 0.442 nan 8.190 nan 0.000 0.430 30 S N 2.153 118.031 115.700 0.297 0.000 2.513 30 S HA 0.829 5.301 4.470 0.005 0.000 0.276 30 S C 0.100 174.723 174.600 0.038 0.000 1.254 30 S CA 0.061 58.374 58.200 0.189 0.000 1.053 30 S CB 1.177 64.561 63.200 0.307 0.000 0.958 30 S HN 1.600 nan 8.310 nan 0.000 0.491 31 A N 2.749 125.405 122.820 -0.274 0.000 2.356 31 A HA 0.795 5.118 4.320 0.005 0.000 0.310 31 A C -1.192 175.952 177.584 -0.732 0.000 1.075 31 A CA -0.659 51.099 52.037 -0.466 0.000 0.746 31 A CB 0.496 19.203 19.000 -0.488 0.000 1.221 31 A HN 0.673 nan 8.150 nan 0.000 0.443 32 F N 2.612 122.380 119.950 -0.304 0.000 2.366 32 F HA 0.512 5.042 4.527 0.004 0.000 0.366 32 F C -0.201 175.401 175.800 -0.329 0.000 1.096 32 F CA -0.312 57.578 58.000 -0.183 0.000 1.060 32 F CB 1.373 40.400 39.000 0.046 0.000 1.282 32 F HN 0.343 nan 8.300 nan 0.000 0.450 33 L N 2.138 123.214 121.223 -0.246 0.000 2.334 33 L HA 0.710 5.053 4.340 0.005 0.000 0.276 33 L C 0.851 177.618 176.870 -0.171 0.000 1.014 33 L CA -1.121 53.510 54.840 -0.349 0.000 0.815 33 L CB 1.815 43.465 42.059 -0.681 0.000 1.268 33 L HN 0.810 nan 8.230 nan 0.000 0.428 34 G N 2.995 111.755 108.800 -0.067 0.000 2.295 34 G HA2 -0.263 3.700 3.960 0.005 0.000 0.287 34 G HA3 -0.263 3.700 3.960 0.005 0.000 0.287 34 G C -0.120 174.831 174.900 0.085 0.000 1.055 34 G CA -0.240 44.848 45.100 -0.021 0.000 0.922 34 G HN 0.480 nan 8.290 nan 0.000 0.503 35 I N 2.055 122.672 120.570 0.079 0.000 2.452 35 I HA 0.221 4.394 4.170 0.005 0.000 0.287 35 I C -1.325 174.864 176.117 0.120 0.000 1.079 35 I CA -2.007 59.328 61.300 0.059 0.000 1.387 35 I CB 0.927 38.907 38.000 -0.034 0.000 1.404 35 I HN 0.010 nan 8.210 nan 0.000 0.522 36 P HA 0.050 nan 4.420 nan 0.000 0.276 36 P C -0.250 177.023 177.300 -0.045 0.000 1.235 36 P CA 0.006 62.992 63.100 -0.190 0.000 0.772 36 P CB 0.551 32.122 31.700 -0.214 0.000 0.871 37 F N 1.059 120.870 119.950 -0.233 0.000 2.706 37 F HA 0.718 5.248 4.527 0.005 0.000 0.313 37 F C 0.072 175.872 175.800 -0.000 0.000 1.096 37 F CA -0.655 57.286 58.000 -0.098 0.000 1.219 37 F CB 0.292 39.148 39.000 -0.240 0.000 1.051 37 F HN 0.314 nan 8.300 nan 0.000 0.568 38 A N 0.185 122.700 122.820 -0.507 0.000 2.556 38 A HA 0.576 4.898 4.320 0.005 0.000 0.294 38 A C -0.840 176.573 177.584 -0.285 0.000 1.091 38 A CA -0.756 51.071 52.037 -0.351 0.000 0.704 38 A CB 0.998 19.697 19.000 -0.501 0.000 1.300 38 A HN 0.051 nan 8.150 nan 0.000 0.406 39 E N 1.334 121.445 120.200 -0.148 0.000 2.414 39 E HA 0.187 4.539 4.350 0.005 0.000 0.263 39 E C -2.282 174.211 176.600 -0.177 0.000 1.000 39 E CA -1.268 55.061 56.400 -0.118 0.000 0.914 39 E CB -0.011 29.657 29.700 -0.054 0.000 0.948 39 E HN 0.228 nan 8.360 nan 0.000 0.444 40 P HA -0.020 nan 4.420 nan 0.000 0.256 40 P C -2.195 175.033 177.300 -0.120 0.000 1.173 40 P CA -0.657 62.350 63.100 -0.156 0.000 0.768 40 P CB -0.107 31.542 31.700 -0.085 0.000 0.758 41 P HA -0.017 nan 4.420 nan 0.000 0.238 41 P C -0.071 177.168 177.300 -0.101 0.000 1.714 41 P CA 0.195 63.231 63.100 -0.106 0.000 0.908 41 P CB -0.227 31.408 31.700 -0.107 0.000 1.893 42 V N -3.105 116.759 119.914 -0.084 0.000 3.193 42 V HA 0.881 5.003 4.120 0.005 0.000 0.320 42 V C 1.117 177.170 176.094 -0.068 0.000 1.112 42 V CA 0.114 62.367 62.300 -0.079 0.000 1.026 42 V CB 0.585 32.373 31.823 -0.059 0.000 1.128 42 V HN 0.511 nan 8.190 nan 0.000 0.452 43 G N 2.004 110.767 108.800 -0.063 0.000 2.629 43 G HA2 -0.360 3.603 3.960 0.005 0.000 0.313 43 G HA3 -0.360 3.603 3.960 0.005 0.000 0.313 43 G C 1.225 176.098 174.900 -0.044 0.000 1.217 43 G CA 1.843 46.917 45.100 -0.043 0.000 0.994 43 G HN 2.355 nan 8.290 nan 0.000 0.549 44 S N 0.560 116.246 115.700 -0.024 0.000 2.547 44 S HA 0.039 4.512 4.470 0.005 0.000 0.235 44 S C 1.858 176.448 174.600 -0.016 0.000 0.980 44 S CA 1.582 59.777 58.200 -0.009 0.000 0.941 44 S CB -0.064 63.137 63.200 0.002 0.000 0.763 44 S HN 0.678 nan 8.310 nan 0.000 0.532 45 R N 0.788 121.262 120.500 -0.043 0.000 2.312 45 R HA 0.224 4.567 4.340 0.005 0.000 0.205 45 R C 0.903 177.149 176.300 -0.090 0.000 0.904 45 R CA -0.220 55.852 56.100 -0.047 0.000 1.052 45 R CB -0.007 30.265 30.300 -0.047 0.000 1.014 45 R HN 0.428 nan 8.270 nan 0.000 0.503 46 R N 0.933 121.327 120.500 -0.177 0.000 2.570 46 R HA -0.120 4.223 4.340 0.005 0.000 0.277 46 R C -0.331 175.713 176.300 -0.425 0.000 1.039 46 R CA 0.615 56.464 56.100 -0.418 0.000 1.065 46 R CB 0.136 30.057 30.300 -0.631 0.000 0.964 46 R HN 0.086 nan 8.270 nan 0.000 0.428 47 F N -0.809 119.135 119.950 -0.010 0.000 2.619 47 F HA -0.307 4.223 4.527 0.004 0.000 0.425 47 F C 0.122 175.899 175.800 -0.040 0.000 0.575 47 F CA 0.713 58.684 58.000 -0.050 0.000 1.289 47 F CB -1.616 37.343 39.000 -0.069 0.000 1.859 47 F HN 0.472 nan 8.300 nan 0.000 0.280 48 M N 1.494 121.146 119.600 0.087 0.000 2.367 48 M HA 0.406 4.889 4.480 0.005 0.000 0.339 48 M C -1.999 174.318 176.300 0.027 0.000 1.177 48 M CA -1.462 53.873 55.300 0.057 0.000 1.068 48 M CB 0.895 33.517 32.600 0.038 0.000 1.602 48 M HN -0.367 nan 8.290 nan 0.000 0.457 49 P HA 0.040 nan 4.420 nan 0.000 0.267 49 P C -2.443 174.874 177.300 0.027 0.000 1.201 49 P CA -0.440 62.683 63.100 0.039 0.000 0.775 49 P CB -0.477 31.258 31.700 0.058 0.000 0.854 50 P HA 0.205 nan 4.420 nan 0.000 0.277 50 P C -0.751 176.565 177.300 0.028 0.000 1.240 50 P CA -0.026 63.080 63.100 0.009 0.000 0.798 50 P CB 0.953 32.668 31.700 0.026 0.000 0.979 51 E N 2.598 122.800 120.200 0.003 0.000 2.183 51 E HA 0.397 4.749 4.350 0.005 0.000 0.271 51 E C -2.310 174.306 176.600 0.027 0.000 0.919 51 E CA -2.372 54.042 56.400 0.024 0.000 0.781 51 E CB 0.685 30.394 29.700 0.014 0.000 1.140 51 E HN 0.340 nan 8.360 nan 0.000 0.402 52 P HA -0.101 nan 4.420 nan 0.000 0.266 52 P C -0.794 176.560 177.300 0.089 0.000 1.193 52 P CA -0.062 63.103 63.100 0.109 0.000 0.770 52 P CB 0.415 32.190 31.700 0.124 0.000 0.836 53 K N 3.417 123.893 120.400 0.125 0.000 2.412 53 K HA 0.062 4.385 4.320 0.005 0.000 0.284 53 K C -0.037 176.666 176.600 0.171 0.000 1.046 53 K CA 0.054 56.419 56.287 0.130 0.000 0.999 53 K CB 0.018 32.633 32.500 0.193 0.000 0.941 53 K HN 0.147 nan 8.250 nan 0.000 0.474 54 R N 5.276 125.856 120.500 0.133 0.000 2.522 54 R HA 0.141 4.483 4.340 0.005 0.000 0.284 54 R C -2.171 174.233 176.300 0.174 0.000 1.032 54 R CA -1.245 54.926 56.100 0.118 0.000 1.049 54 R CB 0.043 30.397 30.300 0.091 0.000 0.956 54 R HN 0.582 nan 8.270 nan 0.000 0.422 55 P HA -0.019 nan 4.420 nan 0.000 0.267 55 P C -1.243 176.101 177.300 0.074 0.000 1.201 55 P CA 0.174 63.242 63.100 -0.053 0.000 0.775 55 P CB 0.294 31.904 31.700 -0.151 0.000 0.854 56 W N 0.634 121.967 121.300 0.055 0.000 2.850 56 W HA 0.721 5.384 4.660 0.004 0.000 0.349 56 W C -0.911 175.634 176.519 0.043 0.000 1.133 56 W CA -0.937 56.439 57.345 0.051 0.000 1.117 56 W CB 0.171 29.670 29.460 0.064 0.000 1.442 56 W HN 0.362 nan 8.180 nan 0.000 0.575 57 S N 1.099 116.969 115.700 0.284 0.000 2.578 57 S HA 0.894 5.367 4.470 0.005 0.000 0.301 57 S C 0.206 174.964 174.600 0.263 0.000 1.091 57 S CA -0.120 58.178 58.200 0.164 0.000 1.032 57 S CB 1.094 64.351 63.200 0.095 0.000 1.064 57 S HN 2.203 nan 8.310 nan 0.000 0.508 58 G N 0.067 108.977 108.800 0.183 0.000 2.660 58 G HA2 -0.079 3.883 3.960 0.005 0.000 0.215 58 G HA3 -0.079 3.883 3.960 0.005 0.000 0.215 58 G C -0.936 174.121 174.900 0.262 0.000 1.345 58 G CA -0.453 44.755 45.100 0.179 0.000 0.877 58 G HN 1.594 nan 8.290 nan 0.000 0.549 59 V N 0.938 120.973 119.914 0.202 0.000 2.350 59 V HA 0.508 4.631 4.120 0.005 0.000 0.276 59 V C 0.957 177.160 176.094 0.181 0.000 1.028 59 V CA -0.264 62.169 62.300 0.222 0.000 0.860 59 V CB 1.107 33.017 31.823 0.146 0.000 0.990 59 V HN 0.819 nan 8.190 nan 0.000 0.453 60 L N 4.834 126.183 121.223 0.210 0.000 2.455 60 L HA 0.221 4.564 4.340 0.005 0.000 0.272 60 L C 0.682 177.557 176.870 0.009 0.000 1.174 60 L CA 0.315 55.123 54.840 -0.054 0.000 0.869 60 L CB 0.506 42.300 42.059 -0.441 0.000 1.130 60 L HN 0.697 nan 8.230 nan 0.000 0.474 61 D N 4.827 125.204 120.400 -0.039 0.000 2.339 61 D HA 0.178 4.821 4.640 0.005 0.000 0.256 61 D C -0.379 175.888 176.300 -0.055 0.000 1.214 61 D CA 0.026 54.009 54.000 -0.029 0.000 0.877 61 D CB 1.439 42.211 40.800 -0.047 0.000 1.111 61 D HN 0.676 nan 8.370 nan 0.000 0.478 62 A N 3.167 125.978 122.820 -0.015 0.000 2.855 62 A HA 0.184 4.507 4.320 0.005 0.000 0.301 62 A C 1.010 178.514 177.584 -0.132 0.000 1.076 62 A CA -0.405 51.617 52.037 -0.024 0.000 1.004 62 A CB -0.083 19.014 19.000 0.163 0.000 1.152 62 A HN 0.572 nan 8.150 nan 0.000 0.531 63 T N -3.266 111.189 114.554 -0.165 0.000 3.023 63 T HA 0.250 4.603 4.350 0.005 0.000 0.253 63 T C 0.750 175.290 174.700 -0.268 0.000 1.038 63 T CA 0.801 62.771 62.100 -0.217 0.000 0.962 63 T CB -0.177 68.598 68.868 -0.155 0.000 1.018 63 T HN 0.704 nan 8.240 nan 0.000 0.521 64 T N -0.507 113.889 114.554 -0.263 0.000 2.903 64 T HA 0.692 5.045 4.350 0.005 0.000 0.299 64 T C -0.748 173.779 174.700 -0.287 0.000 1.093 64 T CA -0.919 61.013 62.100 -0.280 0.000 1.002 64 T CB 1.074 69.848 68.868 -0.156 0.000 1.127 64 T HN -0.007 nan 8.240 nan 0.000 0.488 65 F N 2.007 121.887 119.950 -0.116 0.000 2.553 65 F HA 0.320 4.850 4.527 0.005 0.000 0.356 65 F C 1.443 177.140 175.800 -0.171 0.000 1.142 65 F CA -0.043 57.888 58.000 -0.116 0.000 1.322 65 F CB 0.424 39.385 39.000 -0.064 0.000 1.126 65 F HN 0.484 nan 8.300 nan 0.000 0.599 66 Q N 1.280 121.088 119.800 0.013 0.000 2.166 66 Q HA 0.240 4.582 4.340 0.005 0.000 0.226 66 Q C -0.263 175.656 176.000 -0.135 0.000 0.989 66 Q CA -0.881 54.772 55.803 -0.249 0.000 0.966 66 Q CB 0.692 28.988 28.738 -0.736 0.000 1.173 66 Q HN 0.519 nan 8.270 nan 0.000 0.509 67 N N -0.073 118.517 118.700 -0.184 0.000 2.292 67 N HA -0.033 4.710 4.740 0.005 0.000 0.242 67 N C -0.484 175.010 175.510 -0.026 0.000 1.243 67 N CA 0.255 53.255 53.050 -0.083 0.000 0.851 67 N CB 0.297 38.754 38.487 -0.049 0.000 1.093 67 N HN 0.179 nan 8.380 nan 0.000 0.450 68 V N 1.853 121.726 119.914 -0.068 0.000 2.546 68 V HA 0.086 4.209 4.120 0.005 0.000 0.284 68 V C 0.655 176.697 176.094 -0.087 0.000 1.050 68 V CA -0.873 61.377 62.300 -0.084 0.000 0.981 68 V CB 1.050 32.787 31.823 -0.144 0.000 0.990 68 V HN 0.718 nan 8.190 nan 0.000 0.474 69 c N 4.161 122.727 118.600 -0.056 0.000 2.634 69 c HA 0.091 4.664 4.570 0.005 0.000 0.417 69 c C 0.555 174.576 174.090 -0.114 0.000 1.334 69 c CA -0.632 55.658 56.329 -0.065 0.000 1.829 69 c CB -1.147 41.355 42.510 -0.014 0.000 2.665 69 c HN 0.741 nan 8.230 nan 0.000 0.614 70 Y N 3.720 123.848 120.300 -0.286 0.000 2.805 70 Y HA 0.145 4.698 4.550 0.005 0.000 0.331 70 Y C 0.939 176.803 175.900 -0.060 0.000 1.241 70 Y CA 1.142 59.063 58.100 -0.298 0.000 1.546 70 Y CB 0.108 38.145 38.460 -0.705 0.000 1.248 70 Y HN 0.736 nan 8.280 nan 0.000 0.559 71 Q N 3.848 123.685 119.800 0.062 0.000 2.575 71 Q HA 0.224 4.567 4.340 0.005 0.000 0.290 71 Q C -1.756 174.430 176.000 0.310 0.000 0.963 71 Q CA -1.264 54.711 55.803 0.286 0.000 0.783 71 Q CB 1.271 30.128 28.738 0.197 0.000 1.467 71 Q HN 0.630 nan 8.270 nan 0.000 0.402 72 Y N 1.137 121.648 120.300 0.351 0.000 2.620 72 Y HA 0.291 4.843 4.550 0.004 0.000 0.330 72 Y C -0.991 175.059 175.900 0.250 0.000 1.186 72 Y CA 0.351 58.658 58.100 0.345 0.000 1.467 72 Y CB 0.784 39.561 38.460 0.528 0.000 1.262 72 Y HN 0.430 nan 8.280 nan 0.000 0.550 73 V N 7.120 126.775 119.914 -0.431 0.000 2.384 73 V HA 0.098 4.220 4.120 0.005 0.000 0.287 73 V C -0.478 175.327 176.094 -0.481 0.000 1.020 73 V CA -0.996 61.123 62.300 -0.302 0.000 0.850 73 V CB 1.320 33.039 31.823 -0.173 0.000 0.987 73 V HN 0.763 nan 8.190 nan 0.000 0.436 74 D N 3.908 124.231 120.400 -0.127 0.000 2.401 74 D HA 0.098 4.740 4.640 0.005 0.000 0.254 74 D C 1.039 177.374 176.300 0.057 0.000 1.192 74 D CA 0.493 54.533 54.000 0.067 0.000 0.885 74 D CB 1.296 42.290 40.800 0.323 0.000 1.147 74 D HN 0.720 nan 8.370 nan 0.000 0.478 75 T N 1.100 115.671 114.554 0.028 0.000 3.111 75 T HA 0.041 4.394 4.350 0.005 0.000 0.284 75 T C 1.737 176.443 174.700 0.011 0.000 0.983 75 T CA -0.427 61.687 62.100 0.025 0.000 0.900 75 T CB -0.160 68.693 68.868 -0.024 0.000 1.132 75 T HN 0.239 nan 8.240 nan 0.000 0.531 76 L N 0.966 122.190 121.223 0.001 0.000 2.034 76 L HA -0.044 4.299 4.340 0.005 0.000 0.217 76 L C -0.089 176.546 176.870 -0.392 0.000 1.077 76 L CA 1.820 56.509 54.840 -0.251 0.000 0.769 76 L CB -0.408 41.424 42.059 -0.379 0.000 0.890 76 L HN 0.466 nan 8.230 nan 0.000 0.435 77 Y N -0.079 120.268 120.300 0.078 0.000 2.863 77 Y HA 0.385 4.938 4.550 0.005 0.000 0.348 77 Y C -2.082 173.869 175.900 0.085 0.000 1.028 77 Y CA -3.440 54.678 58.100 0.031 0.000 1.213 77 Y CB -0.326 38.117 38.460 -0.028 0.000 1.120 77 Y HN 0.077 nan 8.280 nan 0.000 0.598 78 P HA 0.046 nan 4.420 nan 0.000 0.266 78 P C 1.080 178.446 177.300 0.109 0.000 1.195 78 P CA 1.467 64.628 63.100 0.102 0.000 0.768 78 P CB 1.228 32.957 31.700 0.049 0.000 0.838 79 G N 2.158 111.005 108.800 0.077 0.000 2.284 79 G HA2 -0.310 3.653 3.960 0.005 0.000 0.261 79 G HA3 -0.310 3.653 3.960 0.005 0.000 0.261 79 G C -0.042 174.902 174.900 0.072 0.000 0.997 79 G CA -0.021 45.109 45.100 0.050 0.000 0.621 79 G HN 0.560 nan 8.290 nan 0.000 0.534 80 F N 2.489 122.397 119.950 -0.070 0.000 2.471 80 F HA 0.581 5.111 4.527 0.004 0.000 0.365 80 F C 1.377 177.077 175.800 -0.167 0.000 1.095 80 F CA -0.461 57.444 58.000 -0.159 0.000 1.174 80 F CB 1.282 40.160 39.000 -0.203 0.000 1.105 80 F HN 0.193 nan 8.300 nan 0.000 0.535 81 E N 3.974 123.773 120.200 -0.668 0.000 2.110 81 E HA -0.078 4.275 4.350 0.005 0.000 0.193 81 E C 2.248 178.369 176.600 -0.798 0.000 0.988 81 E CA 1.705 57.734 56.400 -0.618 0.000 0.804 81 E CB -0.441 28.972 29.700 -0.477 0.000 0.745 81 E HN 0.883 nan 8.360 nan 0.000 0.458 82 G N -0.668 107.135 108.800 -1.661 0.000 2.450 82 G HA2 -0.318 3.645 3.960 0.005 0.000 0.220 82 G HA3 -0.318 3.645 3.960 0.005 0.000 0.220 82 G C 1.688 176.597 174.900 0.015 0.000 1.130 82 G CA 1.705 46.128 45.100 -1.129 0.000 0.760 82 G HN 0.497 nan 8.290 nan 0.000 0.557 83 T N -2.340 112.194 114.554 -0.033 0.000 3.033 83 T HA 0.147 4.500 4.350 0.005 0.000 0.248 83 T C 1.940 176.789 174.700 0.249 0.000 1.040 83 T CA 0.792 63.174 62.100 0.470 0.000 1.133 83 T CB 0.100 69.341 68.868 0.623 0.000 0.895 83 T HN 0.083 nan 8.240 nan 0.000 0.465 84 E N 2.490 122.696 120.200 0.011 0.000 2.077 84 E HA -0.125 4.228 4.350 0.005 0.000 0.193 84 E C 2.288 178.798 176.600 -0.149 0.000 0.989 84 E CA 1.584 57.954 56.400 -0.051 0.000 0.800 84 E CB -0.629 29.006 29.700 -0.108 0.000 0.746 84 E HN 0.802 nan 8.360 nan 0.000 0.452 85 M N -1.872 117.537 119.600 -0.319 0.000 2.337 85 M HA -0.131 4.352 4.480 0.005 0.000 0.261 85 M C 1.306 177.214 176.300 -0.654 0.000 1.067 85 M CA 1.595 56.554 55.300 -0.568 0.000 1.074 85 M CB -0.598 31.532 32.600 -0.784 0.000 1.395 85 M HN 0.037 nan 8.290 nan 0.000 0.431 86 W N 0.995 122.238 121.300 -0.094 0.000 3.211 86 W HA 0.285 4.948 4.660 0.004 0.000 0.292 86 W C 0.286 176.739 176.519 -0.111 0.000 1.268 86 W CA -1.037 56.238 57.345 -0.116 0.000 1.702 86 W CB -0.099 29.342 29.460 -0.031 0.000 1.092 86 W HN 0.114 nan 8.180 nan 0.000 0.643 87 N N 1.516 120.256 118.700 0.067 0.000 2.513 87 N HA 0.173 4.916 4.740 0.005 0.000 0.274 87 N C -2.411 173.057 175.510 -0.070 0.000 1.189 87 N CA -1.616 51.445 53.050 0.019 0.000 0.975 87 N CB 0.093 38.587 38.487 0.011 0.000 1.157 87 N HN -0.349 nan 8.380 nan 0.000 0.465 88 P HA 0.023 nan 4.420 nan 0.000 0.264 88 P C 0.233 177.453 177.300 -0.133 0.000 1.183 88 P CA 0.153 63.174 63.100 -0.133 0.000 0.763 88 P CB 0.331 31.947 31.700 -0.139 0.000 0.807 89 N N 1.982 120.589 118.700 -0.155 0.000 2.200 89 N HA 0.091 4.834 4.740 0.005 0.000 0.224 89 N C 0.153 175.597 175.510 -0.110 0.000 1.179 89 N CA -0.030 52.937 53.050 -0.137 0.000 0.877 89 N CB 0.496 38.883 38.487 -0.166 0.000 1.072 89 N HN 0.163 nan 8.380 nan 0.000 0.519 90 R N 0.150 120.582 120.500 -0.114 0.000 2.869 90 R HA 0.280 4.623 4.340 0.005 0.000 0.263 90 R C -0.669 175.569 176.300 -0.104 0.000 1.066 90 R CA -0.688 55.359 56.100 -0.088 0.000 0.960 90 R CB 1.076 31.334 30.300 -0.070 0.000 1.221 90 R HN 0.250 nan 8.270 nan 0.000 0.474 91 E N 1.443 121.587 120.200 -0.093 0.000 2.502 91 E HA -0.023 4.329 4.350 0.005 0.000 0.261 91 E C -0.413 176.101 176.600 -0.142 0.000 0.974 91 E CA 0.046 56.383 56.400 -0.105 0.000 0.936 91 E CB 0.504 30.157 29.700 -0.078 0.000 0.926 91 E HN 0.252 nan 8.360 nan 0.000 0.459 92 L N 3.752 124.846 121.223 -0.215 0.000 2.410 92 L HA 0.175 4.518 4.340 0.005 0.000 0.273 92 L C 0.310 177.054 176.870 -0.210 0.000 1.144 92 L CA 0.134 54.754 54.840 -0.365 0.000 0.863 92 L CB 0.877 42.471 42.059 -0.775 0.000 1.140 92 L HN 0.427 nan 8.230 nan 0.000 0.463 93 S N 1.551 117.197 115.700 -0.090 0.000 2.537 93 S HA 0.196 4.669 4.470 0.005 0.000 0.271 93 S C 0.295 174.911 174.600 0.027 0.000 1.148 93 S CA -0.671 57.567 58.200 0.063 0.000 0.868 93 S CB 1.738 64.949 63.200 0.019 0.000 1.115 93 S HN 0.741 nan 8.310 nan 0.000 0.461 94 E N 0.959 121.151 120.200 -0.012 0.000 2.274 94 E HA -0.062 4.290 4.350 0.005 0.000 0.194 94 E C -0.306 176.249 176.600 -0.076 0.000 0.996 94 E CA 0.504 56.819 56.400 -0.142 0.000 0.840 94 E CB 0.140 29.724 29.700 -0.193 0.000 0.772 94 E HN 0.549 nan 8.360 nan 0.000 0.491 95 D N 0.134 120.525 120.400 -0.014 0.000 2.517 95 D HA -0.011 4.632 4.640 0.005 0.000 0.220 95 D C 0.080 176.473 176.300 0.155 0.000 1.158 95 D CA -0.247 53.774 54.000 0.034 0.000 0.992 95 D CB -0.068 40.770 40.800 0.062 0.000 1.058 95 D HN 0.133 nan 8.370 nan 0.000 0.516 96 c N 2.194 120.848 118.600 0.090 0.000 3.911 96 c HA 0.379 4.952 4.570 0.005 0.000 0.318 96 c C 0.748 174.925 174.090 0.145 0.000 1.643 96 c CA -0.660 55.794 56.329 0.209 0.000 1.845 96 c CB -1.216 41.343 42.510 0.083 0.000 2.981 96 c HN 0.417 nan 8.230 nan 0.000 0.656 97 L N 2.619 123.670 121.223 -0.287 0.000 2.415 97 L HA 0.356 4.698 4.340 0.005 0.000 0.269 97 L C -0.922 175.413 176.870 -0.892 0.000 1.244 97 L CA 0.651 55.125 54.840 -0.609 0.000 1.113 97 L CB -0.759 40.770 42.059 -0.884 0.000 1.352 97 L HN 0.406 nan 8.230 nan 0.000 0.433 98 Y N 2.027 122.391 120.300 0.106 0.000 2.576 98 Y HA 0.641 5.193 4.550 0.004 0.000 0.346 98 Y C -0.060 176.051 175.900 0.352 0.000 1.018 98 Y CA -1.208 57.013 58.100 0.201 0.000 1.050 98 Y CB 1.991 40.486 38.460 0.058 0.000 1.280 98 Y HN 0.209 nan 8.280 nan 0.000 0.474 99 L N -0.342 121.050 121.223 0.282 0.000 2.277 99 L HA 0.785 5.128 4.340 0.005 0.000 0.254 99 L C -1.326 175.520 176.870 -0.040 0.000 1.044 99 L CA -1.220 53.634 54.840 0.023 0.000 0.842 99 L CB 1.701 43.553 42.059 -0.345 0.000 1.422 99 L HN 0.494 nan 8.230 nan 0.000 0.422 100 N N -0.267 118.396 118.700 -0.061 0.000 2.225 100 N HA 0.717 5.460 4.740 0.005 0.000 0.298 100 N C -1.599 173.782 175.510 -0.215 0.000 1.076 100 N CA -0.385 52.554 53.050 -0.184 0.000 0.792 100 N CB 2.919 41.308 38.487 -0.162 0.000 1.498 100 N HN 0.493 nan 8.380 nan 0.000 0.474 101 V N 1.431 121.146 119.914 -0.332 0.000 2.588 101 V HA 0.505 4.628 4.120 0.005 0.000 0.304 101 V C -0.886 175.105 176.094 -0.173 0.000 1.042 101 V CA -0.715 61.473 62.300 -0.187 0.000 0.877 101 V CB 2.398 33.970 31.823 -0.417 0.000 0.996 101 V HN 0.556 nan 8.190 nan 0.000 0.425 102 W N 2.852 124.224 121.300 0.121 0.000 2.656 102 W HA 0.669 5.333 4.660 0.005 0.000 0.327 102 W C 0.004 176.615 176.519 0.152 0.000 1.041 102 W CA -0.457 56.968 57.345 0.135 0.000 1.229 102 W CB 2.497 32.022 29.460 0.108 0.000 1.397 102 W HN 0.659 nan 8.180 nan 0.000 0.479 103 T N 0.261 115.055 114.554 0.400 0.000 2.896 103 T HA 0.536 4.889 4.350 0.005 0.000 0.297 103 T C -2.770 172.099 174.700 0.282 0.000 1.108 103 T CA -2.433 59.859 62.100 0.321 0.000 1.004 103 T CB 2.361 71.439 68.868 0.350 0.000 1.159 103 T HN -0.103 nan 8.240 nan 0.000 0.499 104 P HA 0.131 nan 4.420 nan 0.000 0.270 104 P C -1.511 175.937 177.300 0.245 0.000 1.216 104 P CA -0.011 63.207 63.100 0.198 0.000 0.788 104 P CB 0.092 31.879 31.700 0.145 0.000 0.883 105 Y N 1.657 122.012 120.300 0.092 0.000 2.354 105 Y HA 0.407 4.960 4.550 0.004 0.000 0.330 105 Y C -2.284 173.652 175.900 0.060 0.000 1.011 105 Y CA -2.444 55.705 58.100 0.081 0.000 1.099 105 Y CB 1.319 39.816 38.460 0.061 0.000 1.179 105 Y HN 0.328 nan 8.280 nan 0.000 0.442 106 P HA 0.200 nan 4.420 nan 0.000 0.273 106 P C -0.916 176.337 177.300 -0.079 0.000 1.250 106 P CA -0.314 62.580 63.100 -0.343 0.000 0.793 106 P CB 1.058 32.612 31.700 -0.242 0.000 1.011 107 R N 0.943 121.407 120.500 -0.061 0.000 2.623 107 R HA 0.177 4.520 4.340 0.005 0.000 0.271 107 R C -1.685 174.641 176.300 0.043 0.000 1.043 107 R CA -1.140 54.992 56.100 0.053 0.000 1.083 107 R CB -0.725 29.625 30.300 0.082 0.000 0.974 107 R HN 0.465 nan 8.270 nan 0.000 0.436 108 P HA -0.072 nan 4.420 nan 0.000 0.266 108 P C -0.168 177.152 177.300 0.033 0.000 1.195 108 P CA 0.265 63.398 63.100 0.054 0.000 0.768 108 P CB 0.766 32.508 31.700 0.069 0.000 0.838 109 A N 3.254 126.087 122.820 0.022 0.000 1.872 109 A HA -0.020 4.303 4.320 0.005 0.000 0.214 109 A C 1.142 178.732 177.584 0.010 0.000 1.187 109 A CA 1.431 53.474 52.037 0.010 0.000 0.614 109 A CB -0.934 18.070 19.000 0.007 0.000 0.826 109 A HN 0.694 nan 8.150 nan 0.000 0.442 110 S N -0.379 115.329 115.700 0.014 0.000 2.617 110 S HA 0.575 5.047 4.470 0.005 0.000 0.283 110 S C -2.993 171.619 174.600 0.020 0.000 1.189 110 S CA -1.799 56.408 58.200 0.011 0.000 1.036 110 S CB 0.768 63.973 63.200 0.007 0.000 1.014 110 S HN 0.058 nan 8.310 nan 0.000 0.522 111 P HA 0.133 nan 4.420 nan 0.000 0.260 111 P C -0.602 176.715 177.300 0.028 0.000 1.185 111 P CA 0.389 63.504 63.100 0.023 0.000 0.763 111 P CB -0.039 31.667 31.700 0.009 0.000 0.776 112 T N 5.851 120.435 114.554 0.049 0.000 2.829 112 T HA 0.379 4.732 4.350 0.005 0.000 0.282 112 T C -2.363 172.370 174.700 0.055 0.000 0.990 112 T CA -1.884 60.247 62.100 0.051 0.000 1.028 112 T CB 0.689 69.600 68.868 0.072 0.000 0.951 112 T HN 0.143 nan 8.240 nan 0.000 0.460 113 P HA 0.104 nan 4.420 nan 0.000 0.264 113 P C -0.877 176.467 177.300 0.073 0.000 1.183 113 P CA -0.124 62.999 63.100 0.039 0.000 0.763 113 P CB 0.355 32.059 31.700 0.008 0.000 0.807 114 V N 5.480 125.454 119.914 0.101 0.000 2.398 114 V HA 0.300 4.423 4.120 0.005 0.000 0.286 114 V C 0.312 176.495 176.094 0.149 0.000 1.026 114 V CA -0.452 61.931 62.300 0.138 0.000 0.868 114 V CB 1.197 33.116 31.823 0.160 0.000 0.982 114 V HN 0.353 nan 8.190 nan 0.000 0.443 115 L N 6.052 127.375 121.223 0.167 0.000 2.296 115 L HA 0.584 4.926 4.340 0.005 0.000 0.286 115 L C -0.521 176.583 176.870 0.390 0.000 1.023 115 L CA -0.205 54.758 54.840 0.205 0.000 0.812 115 L CB 1.548 43.626 42.059 0.030 0.000 1.223 115 L HN 0.490 nan 8.230 nan 0.000 0.421 116 I N 3.001 123.832 120.570 0.435 0.000 2.330 116 I HA 0.186 4.359 4.170 0.005 0.000 0.289 116 I C -0.538 175.872 176.117 0.489 0.000 1.001 116 I CA -0.387 61.153 61.300 0.400 0.000 1.193 116 I CB 1.165 39.277 38.000 0.186 0.000 1.345 116 I HN 0.637 nan 8.210 nan 0.000 0.461 117 W N 8.491 129.902 121.300 0.185 0.000 2.316 117 W HA 0.515 5.177 4.660 0.003 0.000 0.311 117 W C -1.373 175.038 176.519 -0.179 0.000 1.217 117 W CA -0.569 56.641 57.345 -0.224 0.000 1.199 117 W CB 1.016 30.374 29.460 -0.170 0.000 1.202 117 W HN 0.360 nan 8.180 nan 0.000 0.528 118 I N 9.237 129.216 120.570 -0.984 0.000 2.382 118 I HA 0.064 4.237 4.170 0.005 0.000 0.285 118 I C -0.251 175.021 176.117 -1.409 0.000 1.007 118 I CA -1.138 59.599 61.300 -0.937 0.000 1.142 118 I CB 0.653 38.279 38.000 -0.625 0.000 1.289 118 I HN 0.300 nan 8.210 nan 0.000 0.453 119 Y N 4.595 124.318 120.300 -0.961 0.000 2.457 119 Y HA 0.626 5.178 4.550 0.004 0.000 0.341 119 Y C 0.783 176.450 175.900 -0.388 0.000 1.240 119 Y CA -0.799 56.858 58.100 -0.738 0.000 1.437 119 Y CB -0.065 38.211 38.460 -0.307 0.000 1.328 119 Y HN 0.537 nan 8.280 nan 0.000 0.588 120 G N -0.454 108.302 108.800 -0.073 0.000 2.531 120 G HA2 0.478 4.441 3.960 0.005 0.000 0.281 120 G HA3 0.478 4.441 3.960 0.005 0.000 0.281 120 G C 0.355 175.172 174.900 -0.137 0.000 1.382 120 G CA -0.866 44.135 45.100 -0.166 0.000 1.045 120 G HN 1.755 nan 8.290 nan 0.000 0.533 121 G N -2.992 105.551 108.800 -0.430 0.000 2.207 121 G HA2 0.404 4.367 3.960 0.005 0.000 0.193 121 G HA3 0.404 4.367 3.960 0.005 0.000 0.193 121 G C 1.064 175.318 174.900 -1.077 0.000 1.050 121 G CA 0.724 45.441 45.100 -0.639 0.000 0.780 121 G HN 2.332 nan 8.290 nan 0.000 0.504 122 G N -0.534 107.650 108.800 -1.027 0.000 2.180 122 G HA2 -0.148 3.815 3.960 0.005 0.000 0.263 122 G HA3 -0.148 3.815 3.960 0.005 0.000 0.263 122 G C 0.931 175.451 174.900 -0.633 0.000 0.989 122 G CA 0.906 45.212 45.100 -1.323 0.000 0.692 122 G HN 1.778 nan 8.290 nan 0.000 0.526 123 F N -3.505 116.244 119.950 -0.333 0.000 2.794 123 F HA -0.310 4.220 4.527 0.004 0.000 0.335 123 F C 1.455 177.324 175.800 0.115 0.000 0.653 123 F CA 2.072 60.035 58.000 -0.062 0.000 1.266 123 F CB -2.111 36.725 39.000 -0.274 0.000 1.666 123 F HN 0.842 nan 8.300 nan 0.000 0.314 124 Y N -1.198 119.196 120.300 0.156 0.000 2.445 124 Y HA 0.667 5.220 4.550 0.004 0.000 0.247 124 Y C 0.675 176.710 175.900 0.225 0.000 1.129 124 Y CA 0.245 58.480 58.100 0.225 0.000 1.251 124 Y CB -0.019 38.563 38.460 0.203 0.000 1.176 124 Y HN 0.074 nan 8.280 nan 0.000 0.522 125 S N -0.820 114.713 115.700 -0.277 0.000 2.688 125 S HA 0.911 5.384 4.470 0.005 0.000 0.275 125 S C -0.205 174.255 174.600 -0.234 0.000 1.175 125 S CA -0.508 57.591 58.200 -0.168 0.000 0.818 125 S CB 1.676 64.775 63.200 -0.168 0.000 1.157 125 S HN 1.255 nan 8.310 nan 0.000 0.482 126 G N -0.763 107.851 108.800 -0.310 0.000 2.355 126 G HA2 0.570 4.533 3.960 0.005 0.000 0.619 126 G HA3 0.570 4.533 3.960 0.005 0.000 0.619 126 G C -0.889 173.362 174.900 -1.081 0.000 1.337 126 G CA -0.120 44.580 45.100 -0.667 0.000 0.993 126 G HN 2.210 nan 8.290 nan 0.000 0.599 127 A N -1.465 120.508 122.820 -1.412 0.000 2.573 127 A HA 0.943 5.265 4.320 0.005 0.000 0.299 127 A C 0.431 177.835 177.584 -0.301 0.000 1.060 127 A CA 0.656 52.231 52.037 -0.770 0.000 0.736 127 A CB 0.856 19.635 19.000 -0.368 0.000 1.280 127 A HN 2.576 nan 8.150 nan 0.000 0.401 128 A N 0.777 123.633 122.820 0.060 0.000 2.238 128 A HA 0.303 4.626 4.320 0.005 0.000 0.208 128 A C 1.595 179.224 177.584 0.074 0.000 1.177 128 A CA 1.643 53.884 52.037 0.340 0.000 0.804 128 A CB -0.501 18.758 19.000 0.433 0.000 0.823 128 A HN 1.819 nan 8.150 nan 0.000 0.482 129 S N -0.575 114.934 115.700 -0.320 0.000 2.556 129 S HA 0.342 4.814 4.470 0.005 0.000 0.216 129 S C 0.474 174.635 174.600 -0.730 0.000 0.970 129 S CA -0.491 57.045 58.200 -1.106 0.000 0.912 129 S CB -0.549 61.936 63.200 -1.192 0.000 0.790 129 S HN 0.376 nan 8.310 nan 0.000 0.504 130 L N 2.163 123.137 121.223 -0.414 0.000 2.483 130 L HA 0.168 4.511 4.340 0.005 0.000 0.275 130 L C 1.186 177.741 176.870 -0.525 0.000 1.220 130 L CA -0.457 54.081 54.840 -0.503 0.000 0.833 130 L CB 0.171 41.819 42.059 -0.686 0.000 1.102 130 L HN 0.053 nan 8.230 nan 0.000 0.490 131 D N 0.955 121.080 120.400 -0.459 0.000 2.182 131 D HA -0.132 4.510 4.640 0.005 0.000 0.201 131 D C 1.972 177.999 176.300 -0.456 0.000 0.986 131 D CA 1.256 55.046 54.000 -0.350 0.000 0.847 131 D CB 0.000 40.637 40.800 -0.271 0.000 0.942 131 D HN 0.528 nan 8.370 nan 0.000 0.467 132 V N -1.460 118.026 119.914 -0.713 0.000 3.305 132 V HA -0.133 3.990 4.120 0.005 0.000 0.269 132 V C 0.991 176.457 176.094 -1.047 0.000 1.157 132 V CA 0.976 62.803 62.300 -0.788 0.000 1.157 132 V CB -1.111 30.184 31.823 -0.880 0.000 0.772 132 V HN 0.061 nan 8.190 nan 0.000 0.498 133 Y N -0.043 119.696 120.300 -0.935 0.000 2.555 133 Y HA 0.444 4.997 4.550 0.004 0.000 0.259 133 Y C 0.862 176.193 175.900 -0.949 0.000 1.179 133 Y CA -1.937 55.261 58.100 -1.502 0.000 1.230 133 Y CB -0.591 37.376 38.460 -0.822 0.000 1.146 133 Y HN 0.236 nan 8.280 nan 0.000 0.526 134 D N 0.926 121.032 120.400 -0.491 0.000 2.389 134 D HA 0.019 4.662 4.640 0.005 0.000 0.263 134 D C 1.441 177.369 176.300 -0.621 0.000 1.255 134 D CA 0.555 54.306 54.000 -0.416 0.000 0.914 134 D CB 1.279 41.968 40.800 -0.185 0.000 1.116 134 D HN 0.473 nan 8.370 nan 0.000 0.502 135 G N 4.158 111.944 108.800 -1.690 0.000 2.744 135 G HA2 -0.210 3.753 3.960 0.005 0.000 0.211 135 G HA3 -0.210 3.753 3.960 0.005 0.000 0.211 135 G C 1.520 175.840 174.900 -0.967 0.000 1.143 135 G CA 0.469 44.803 45.100 -1.277 0.000 0.788 135 G HN 0.638 nan 8.290 nan 0.000 0.534 136 R N -0.482 119.345 120.500 -1.122 0.000 2.105 136 R HA -0.062 4.280 4.340 0.005 0.000 0.239 136 R C 1.800 177.814 176.300 -0.477 0.000 1.135 136 R CA 1.543 57.251 56.100 -0.653 0.000 0.967 136 R CB -0.722 29.230 30.300 -0.581 0.000 0.861 136 R HN 0.329 nan 8.270 nan 0.000 0.442 137 F N 1.301 121.154 119.950 -0.162 0.000 2.163 137 F HA 0.055 4.585 4.527 0.005 0.000 0.297 137 F C 2.280 178.022 175.800 -0.097 0.000 1.094 137 F CA 0.700 58.634 58.000 -0.109 0.000 1.290 137 F CB -0.515 38.413 39.000 -0.120 0.000 1.017 137 F HN -0.117 nan 8.300 nan 0.000 0.483 138 L N -0.189 121.064 121.223 0.049 0.000 2.083 138 L HA -0.186 4.157 4.340 0.005 0.000 0.209 138 L C 2.695 179.572 176.870 0.013 0.000 1.083 138 L CA 1.053 55.885 54.840 -0.013 0.000 0.752 138 L CB -0.847 41.155 42.059 -0.095 0.000 0.899 138 L HN 0.189 nan 8.230 nan 0.000 0.433 139 A N -0.875 121.955 122.820 0.016 0.000 1.845 139 A HA -0.247 4.076 4.320 0.005 0.000 0.215 139 A C 2.270 179.898 177.584 0.073 0.000 1.195 139 A CA 1.534 53.618 52.037 0.079 0.000 0.616 139 A CB -0.589 18.496 19.000 0.142 0.000 0.832 139 A HN 0.361 nan 8.150 nan 0.000 0.443 140 Q N -0.146 119.680 119.800 0.044 0.000 2.084 140 Q HA -0.098 4.245 4.340 0.005 0.000 0.202 140 Q C 2.115 178.148 176.000 0.056 0.000 0.978 140 Q CA 2.119 57.953 55.803 0.052 0.000 0.844 140 Q CB -0.251 28.502 28.738 0.024 0.000 0.898 140 Q HN 0.415 nan 8.270 nan 0.000 0.426 141 V N 0.675 120.621 119.914 0.054 0.000 2.825 141 V HA -0.042 4.081 4.120 0.005 0.000 0.246 141 V C 1.518 177.630 176.094 0.029 0.000 1.068 141 V CA 1.200 63.526 62.300 0.043 0.000 1.088 141 V CB 0.053 31.903 31.823 0.045 0.000 0.733 141 V HN 0.192 nan 8.190 nan 0.000 0.468 142 E N -0.160 120.056 120.200 0.027 0.000 2.526 142 E HA 0.225 4.577 4.350 0.005 0.000 0.208 142 E C 1.606 178.225 176.600 0.033 0.000 0.997 142 E CA 0.686 57.098 56.400 0.019 0.000 0.961 142 E CB 0.748 30.451 29.700 0.004 0.000 1.030 142 E HN 0.535 nan 8.360 nan 0.000 0.483 143 G N 2.040 110.870 108.800 0.050 0.000 2.225 143 G HA2 -0.314 3.649 3.960 0.005 0.000 0.267 143 G HA3 -0.314 3.649 3.960 0.005 0.000 0.267 143 G C 0.487 175.432 174.900 0.074 0.000 1.024 143 G CA 0.462 45.602 45.100 0.067 0.000 0.784 143 G HN 0.450 nan 8.290 nan 0.000 0.507 144 A N -0.891 121.971 122.820 0.071 0.000 2.322 144 A HA 0.714 5.037 4.320 0.005 0.000 0.269 144 A C 0.519 178.182 177.584 0.132 0.000 1.094 144 A CA -0.008 52.077 52.037 0.080 0.000 0.807 144 A CB 1.221 20.249 19.000 0.047 0.000 1.047 144 A HN 1.104 nan 8.150 nan 0.000 0.487 145 V N 2.904 122.905 119.914 0.145 0.000 2.364 145 V HA 0.321 4.444 4.120 0.005 0.000 0.272 145 V C -0.082 176.144 176.094 0.222 0.000 1.036 145 V CA -0.032 62.383 62.300 0.192 0.000 0.880 145 V CB 0.695 32.624 31.823 0.177 0.000 0.991 145 V HN 0.711 nan 8.190 nan 0.000 0.460 146 L N 6.290 127.697 121.223 0.308 0.000 2.322 146 L HA 0.724 5.067 4.340 0.005 0.000 0.281 146 L C -0.799 176.355 176.870 0.472 0.000 1.014 146 L CA -0.272 54.804 54.840 0.394 0.000 0.815 146 L CB 1.836 44.132 42.059 0.395 0.000 1.247 146 L HN 0.429 nan 8.230 nan 0.000 0.421 147 V N 3.315 123.477 119.914 0.414 0.000 2.540 147 V HA 0.676 4.799 4.120 0.005 0.000 0.302 147 V C -0.441 175.883 176.094 0.384 0.000 1.035 147 V CA -0.421 62.071 62.300 0.320 0.000 0.873 147 V CB 1.949 33.891 31.823 0.198 0.000 0.992 147 V HN 0.849 nan 8.190 nan 0.000 0.428 148 S N 5.507 121.429 115.700 0.370 0.000 2.549 148 S HA 0.902 5.375 4.470 0.005 0.000 0.280 148 S C -0.837 173.888 174.600 0.210 0.000 1.109 148 S CA -0.825 57.595 58.200 0.367 0.000 0.905 148 S CB 2.366 65.924 63.200 0.595 0.000 1.081 148 S HN 0.863 nan 8.310 nan 0.000 0.477 149 M N 1.353 121.042 119.600 0.148 0.000 2.530 149 M HA 0.629 5.112 4.480 0.005 0.000 0.307 149 M C -1.765 174.715 176.300 0.300 0.000 1.161 149 M CA -0.566 54.796 55.300 0.103 0.000 0.903 149 M CB 1.299 33.777 32.600 -0.202 0.000 1.711 149 M HN 0.556 nan 8.290 nan 0.000 0.451 150 N N 2.899 121.841 118.700 0.404 0.000 2.530 150 N HA 0.518 5.261 4.740 0.005 0.000 0.273 150 N C -1.328 174.441 175.510 0.432 0.000 1.173 150 N CA 0.190 53.509 53.050 0.447 0.000 0.967 150 N CB 0.386 39.081 38.487 0.348 0.000 1.109 150 N HN 0.718 nan 8.380 nan 0.000 0.453 151 Y N -1.805 118.647 120.300 0.253 0.000 2.553 151 Y HA 0.569 5.122 4.550 0.005 0.000 0.347 151 Y C -0.043 175.978 175.900 0.201 0.000 1.019 151 Y CA -1.364 56.843 58.100 0.179 0.000 1.032 151 Y CB 0.934 39.427 38.460 0.055 0.000 1.284 151 Y HN 0.198 nan 8.280 nan 0.000 0.466 152 R N 1.815 122.449 120.500 0.223 0.000 2.537 152 R HA 0.488 4.830 4.340 0.005 0.000 0.280 152 R C -0.389 176.058 176.300 0.245 0.000 1.058 152 R CA -0.190 55.995 56.100 0.142 0.000 1.057 152 R CB 0.825 31.174 30.300 0.082 0.000 0.973 152 R HN 0.717 nan 8.270 nan 0.000 0.438 153 V N -0.365 119.729 119.914 0.299 0.000 3.113 153 V HA 0.886 5.009 4.120 0.005 0.000 0.316 153 V C 0.725 177.149 176.094 0.551 0.000 1.125 153 V CA -0.128 62.467 62.300 0.491 0.000 1.026 153 V CB 1.257 33.268 31.823 0.314 0.000 1.080 153 V HN 0.972 nan 8.190 nan 0.000 0.444 154 G N 1.977 111.136 108.800 0.599 0.000 2.566 154 G HA2 -0.286 3.677 3.960 0.005 0.000 0.280 154 G HA3 -0.286 3.677 3.960 0.005 0.000 0.280 154 G C 0.991 176.061 174.900 0.284 0.000 1.225 154 G CA 1.445 46.826 45.100 0.469 0.000 0.966 154 G HN 2.301 nan 8.290 nan 0.000 0.560 155 T N -1.580 112.877 114.554 -0.161 0.000 2.708 155 T HA -0.043 4.309 4.350 0.005 0.000 0.266 155 T C 2.170 176.737 174.700 -0.221 0.000 1.037 155 T CA 2.515 64.255 62.100 -0.599 0.000 1.146 155 T CB -0.447 67.893 68.868 -0.881 0.000 0.865 155 T HN 0.590 nan 8.240 nan 0.000 0.435 156 F N 2.259 122.240 119.950 0.051 0.000 2.202 156 F HA 0.174 4.703 4.527 0.004 0.000 0.301 156 F C 2.729 178.501 175.800 -0.047 0.000 1.082 156 F CA 0.887 58.867 58.000 -0.034 0.000 1.313 156 F CB -0.883 38.079 39.000 -0.063 0.000 1.024 156 F HN 0.384 nan 8.300 nan 0.000 0.495 157 G N -2.251 106.624 108.800 0.125 0.000 2.796 157 G HA2 0.054 4.017 3.960 0.005 0.000 0.210 157 G HA3 0.054 4.017 3.960 0.005 0.000 0.210 157 G C 0.875 175.294 174.900 -0.802 0.000 1.146 157 G CA 0.214 45.136 45.100 -0.296 0.000 0.779 157 G HN 0.354 nan 8.290 nan 0.000 0.535 158 F N -0.840 119.184 119.950 0.122 0.000 2.975 158 F HA 0.416 4.946 4.527 0.005 0.000 0.366 158 F C 0.472 176.324 175.800 0.087 0.000 1.071 158 F CA -0.984 57.067 58.000 0.085 0.000 1.102 158 F CB 0.353 39.411 39.000 0.097 0.000 1.176 158 F HN -0.097 nan 8.300 nan 0.000 0.545 159 L N 2.189 123.439 121.223 0.045 0.000 2.513 159 L HA 0.498 4.840 4.340 0.005 0.000 0.272 159 L C -0.013 176.818 176.870 -0.064 0.000 1.187 159 L CA 0.055 54.817 54.840 -0.131 0.000 0.895 159 L CB 0.374 42.086 42.059 -0.578 0.000 1.147 159 L HN 0.125 nan 8.230 nan 0.000 0.483 160 A N 6.183 129.009 122.820 0.011 0.000 2.374 160 A HA 0.662 4.985 4.320 0.005 0.000 0.305 160 A C -1.090 176.470 177.584 -0.041 0.000 1.053 160 A CA -0.605 51.423 52.037 -0.014 0.000 0.726 160 A CB 1.242 20.267 19.000 0.040 0.000 1.229 160 A HN 0.687 nan 8.150 nan 0.000 0.431 161 L N 3.763 124.945 121.223 -0.069 0.000 2.360 161 L HA 0.332 4.674 4.340 0.005 0.000 0.265 161 L C -2.340 174.516 176.870 -0.024 0.000 1.066 161 L CA -1.593 53.218 54.840 -0.049 0.000 0.929 161 L CB 1.093 43.110 42.059 -0.070 0.000 1.306 161 L HN 0.400 nan 8.230 nan 0.000 0.434 162 P HA 0.123 nan 4.420 nan 0.000 0.265 162 P C 0.986 178.285 177.300 -0.001 0.000 1.193 162 P CA 0.656 63.756 63.100 0.001 0.000 0.765 162 P CB 1.096 32.798 31.700 0.003 0.000 0.823 163 G N 1.649 110.453 108.800 0.006 0.000 2.345 163 G HA2 -0.248 3.715 3.960 0.005 0.000 0.218 163 G HA3 -0.248 3.715 3.960 0.005 0.000 0.218 163 G C 0.528 175.430 174.900 0.004 0.000 1.058 163 G CA 0.262 45.365 45.100 0.005 0.000 0.632 163 G HN 0.831 nan 8.290 nan 0.000 0.508 164 S N 0.090 115.790 115.700 -0.001 0.000 2.608 164 S HA 0.593 5.066 4.470 0.005 0.000 0.261 164 S C 1.213 175.818 174.600 0.009 0.000 1.314 164 S CA 0.689 58.888 58.200 -0.002 0.000 0.992 164 S CB 1.796 64.987 63.200 -0.015 0.000 0.935 164 S HN 0.515 nan 8.310 nan 0.000 0.564 165 R N -0.147 120.360 120.500 0.012 0.000 2.146 165 R HA 0.110 4.453 4.340 0.005 0.000 0.206 165 R C 1.512 177.830 176.300 0.029 0.000 1.049 165 R CA 0.830 56.943 56.100 0.021 0.000 1.029 165 R CB -0.158 30.153 30.300 0.019 0.000 0.949 165 R HN 0.798 nan 8.270 nan 0.000 0.471 166 E N -0.554 119.663 120.200 0.028 0.000 2.385 166 E HA 0.118 4.471 4.350 0.005 0.000 0.194 166 E C -0.203 176.441 176.600 0.072 0.000 1.013 166 E CA 0.522 56.953 56.400 0.050 0.000 0.866 166 E CB 1.080 30.808 29.700 0.047 0.000 0.832 166 E HN 0.192 nan 8.360 nan 0.000 0.500 167 A N 1.065 123.901 122.820 0.026 0.000 3.300 167 A HA 0.287 4.609 4.320 0.005 0.000 0.300 167 A C -2.215 175.368 177.584 -0.002 0.000 1.099 167 A CA -0.939 51.102 52.037 0.008 0.000 0.846 167 A CB 0.492 19.406 19.000 -0.143 0.000 1.255 167 A HN -0.087 nan 8.150 nan 0.000 0.519 168 P HA 0.167 nan 4.420 nan 0.000 0.229 168 P C 0.925 178.242 177.300 0.028 0.000 1.160 168 P CA 1.763 64.879 63.100 0.027 0.000 0.777 168 P CB 0.216 31.941 31.700 0.042 0.000 0.814 169 G N 0.609 109.424 108.800 0.024 0.000 2.707 169 G HA2 -0.176 3.787 3.960 0.005 0.000 0.686 169 G HA3 -0.176 3.787 3.960 0.005 0.000 0.686 169 G C -0.181 174.719 174.900 -0.000 0.000 1.315 169 G CA -0.321 44.797 45.100 0.030 0.000 0.832 169 G HN 0.111 nan 8.290 nan 0.000 0.573 170 N N -2.291 116.411 118.700 0.003 0.000 2.681 170 N HA -0.277 4.466 4.740 0.005 0.000 0.250 170 N C 1.871 177.230 175.510 -0.252 0.000 1.133 170 N CA 2.376 55.359 53.050 -0.111 0.000 0.732 170 N CB -1.608 36.751 38.487 -0.214 0.000 1.107 170 N HN 1.933 nan 8.380 nan 0.000 0.559 171 V N -2.920 116.831 119.914 -0.271 0.000 2.759 171 V HA 0.037 4.160 4.120 0.005 0.000 0.256 171 V C 2.238 178.197 176.094 -0.226 0.000 1.080 171 V CA 2.163 64.355 62.300 -0.180 0.000 1.101 171 V CB -0.724 31.046 31.823 -0.088 0.000 0.698 171 V HN 0.270 nan 8.190 nan 0.000 0.477 172 G N 0.406 108.881 108.800 -0.542 0.000 2.408 172 G HA2 -0.111 3.851 3.960 0.005 0.000 0.217 172 G HA3 -0.111 3.851 3.960 0.005 0.000 0.217 172 G C 1.535 176.394 174.900 -0.068 0.000 1.150 172 G CA 1.035 45.973 45.100 -0.270 0.000 0.776 172 G HN 0.526 nan 8.290 nan 0.000 0.542 173 L N -0.141 120.981 121.223 -0.168 0.000 2.083 173 L HA 0.022 4.365 4.340 0.005 0.000 0.209 173 L C 2.837 179.734 176.870 0.045 0.000 1.083 173 L CA 0.511 55.218 54.840 -0.220 0.000 0.752 173 L CB -0.297 41.277 42.059 -0.808 0.000 0.899 173 L HN 0.203 nan 8.230 nan 0.000 0.433 174 L N -0.726 120.533 121.223 0.059 0.000 2.109 174 L HA -0.185 4.158 4.340 0.005 0.000 0.207 174 L C 2.219 179.214 176.870 0.209 0.000 1.086 174 L CA 0.814 55.781 54.840 0.212 0.000 0.760 174 L CB -0.601 41.556 42.059 0.164 0.000 0.910 174 L HN 0.258 nan 8.230 nan 0.000 0.437 175 D N 0.095 120.603 120.400 0.180 0.000 2.104 175 D HA -0.220 4.422 4.640 0.005 0.000 0.194 175 D C 2.260 178.754 176.300 0.323 0.000 0.994 175 D CA 1.268 55.458 54.000 0.317 0.000 0.830 175 D CB -0.242 40.745 40.800 0.312 0.000 0.959 175 D HN 0.406 nan 8.370 nan 0.000 0.452 176 Q N 0.131 120.029 119.800 0.162 0.000 2.061 176 Q HA -0.160 4.183 4.340 0.005 0.000 0.204 176 Q C 2.324 178.331 176.000 0.011 0.000 0.984 176 Q CA 1.201 57.017 55.803 0.023 0.000 0.846 176 Q CB -0.142 28.595 28.738 -0.001 0.000 0.902 176 Q HN 0.219 nan 8.270 nan 0.000 0.421 177 R N 0.590 121.192 120.500 0.170 0.000 2.096 177 R HA -0.176 4.167 4.340 0.005 0.000 0.235 177 R C 2.207 178.574 176.300 0.113 0.000 1.127 177 R CA 1.004 57.186 56.100 0.137 0.000 0.968 177 R CB -0.228 30.252 30.300 0.299 0.000 0.861 177 R HN 0.217 nan 8.270 nan 0.000 0.440 178 L N 0.741 122.075 121.223 0.185 0.000 2.083 178 L HA -0.060 4.283 4.340 0.005 0.000 0.209 178 L C 2.230 179.208 176.870 0.180 0.000 1.083 178 L CA 2.134 57.121 54.840 0.244 0.000 0.752 178 L CB -0.643 41.648 42.059 0.387 0.000 0.899 178 L HN 0.273 nan 8.230 nan 0.000 0.433 179 A N -1.276 121.479 122.820 -0.108 0.000 1.968 179 A HA -0.094 4.229 4.320 0.005 0.000 0.217 179 A C 2.080 179.630 177.584 -0.055 0.000 1.169 179 A CA 1.398 53.194 52.037 -0.402 0.000 0.638 179 A CB -0.638 17.783 19.000 -0.966 0.000 0.812 179 A HN 0.401 nan 8.150 nan 0.000 0.446 180 L N -0.208 120.986 121.223 -0.048 0.000 2.046 180 L HA -0.199 4.144 4.340 0.005 0.000 0.208 180 L C 2.656 179.580 176.870 0.091 0.000 1.077 180 L CA 1.953 56.796 54.840 0.006 0.000 0.747 180 L CB -0.837 41.176 42.059 -0.078 0.000 0.896 180 L HN 0.458 nan 8.230 nan 0.000 0.432 181 Q N -2.321 117.547 119.800 0.114 0.000 2.079 181 Q HA -0.259 4.083 4.340 0.005 0.000 0.200 181 Q C 2.129 178.234 176.000 0.174 0.000 0.974 181 Q CA 1.807 57.688 55.803 0.129 0.000 0.840 181 Q CB -0.418 28.399 28.738 0.132 0.000 0.898 181 Q HN 0.592 nan 8.270 nan 0.000 0.430 182 W N 0.496 121.824 121.300 0.046 0.000 2.342 182 W HA -0.237 4.425 4.660 0.004 0.000 0.297 182 W C 1.778 178.334 176.519 0.062 0.000 1.213 182 W CA 1.311 58.698 57.345 0.071 0.000 1.251 182 W CB 0.001 29.509 29.460 0.081 0.000 1.136 182 W HN -0.130 nan 8.180 nan 0.000 0.526 183 V N 0.693 120.833 119.914 0.377 0.000 2.358 183 V HA -0.319 3.804 4.120 0.005 0.000 0.246 183 V C 2.532 178.661 176.094 0.059 0.000 1.047 183 V CA 1.949 64.400 62.300 0.252 0.000 1.035 183 V CB -0.987 30.988 31.823 0.254 0.000 0.658 183 V HN 0.178 nan 8.190 nan 0.000 0.452 184 Q N -0.057 119.779 119.800 0.059 0.000 2.096 184 Q HA -0.279 4.064 4.340 0.005 0.000 0.204 184 Q C 2.247 178.226 176.000 -0.036 0.000 0.982 184 Q CA 2.302 58.122 55.803 0.028 0.000 0.850 184 Q CB -0.244 28.517 28.738 0.038 0.000 0.901 184 Q HN 0.841 nan 8.270 nan 0.000 0.422 185 E N -0.260 119.881 120.200 -0.099 0.000 2.122 185 E HA -0.066 4.287 4.350 0.005 0.000 0.190 185 E C 1.291 177.742 176.600 -0.249 0.000 0.977 185 E CA 0.786 57.092 56.400 -0.156 0.000 0.820 185 E CB 0.279 29.881 29.700 -0.163 0.000 0.770 185 E HN 0.244 nan 8.360 nan 0.000 0.462 186 N N -0.113 118.337 118.700 -0.417 0.000 2.332 186 N HA 0.004 4.747 4.740 0.005 0.000 0.190 186 N C 1.465 176.837 175.510 -0.230 0.000 1.117 186 N CA 0.096 52.826 53.050 -0.533 0.000 0.883 186 N CB 0.320 38.039 38.487 -1.279 0.000 1.089 186 N HN 0.152 nan 8.380 nan 0.000 0.480 187 I N 2.279 122.794 120.570 -0.092 0.000 2.454 187 I HA -0.109 4.064 4.170 0.005 0.000 0.254 187 I C 2.051 178.278 176.117 0.184 0.000 1.156 187 I CA 0.600 62.001 61.300 0.168 0.000 1.433 187 I CB -0.198 37.893 38.000 0.151 0.000 1.082 187 I HN 0.041 nan 8.210 nan 0.000 0.432 188 A N 0.103 122.950 122.820 0.045 0.000 2.067 188 A HA -0.004 4.319 4.320 0.005 0.000 0.219 188 A C 2.408 179.974 177.584 -0.030 0.000 1.158 188 A CA 1.268 53.316 52.037 0.017 0.000 0.661 188 A CB -0.947 18.042 19.000 -0.020 0.000 0.801 188 A HN 0.455 nan 8.150 nan 0.000 0.452 189 A N -1.631 121.121 122.820 -0.113 0.000 2.172 189 A HA 0.160 4.483 4.320 0.005 0.000 0.216 189 A C 1.374 178.687 177.584 -0.452 0.000 1.154 189 A CA 0.965 52.807 52.037 -0.325 0.000 0.701 189 A CB -0.560 18.133 19.000 -0.512 0.000 0.789 189 A HN 0.499 nan 8.150 nan 0.000 0.465 190 F N -1.744 118.163 119.950 -0.072 0.000 2.682 190 F HA 0.395 4.925 4.527 0.005 0.000 0.308 190 F C 1.677 177.489 175.800 0.020 0.000 1.093 190 F CA 0.477 58.456 58.000 -0.036 0.000 1.244 190 F CB 0.566 39.562 39.000 -0.006 0.000 1.052 190 F HN 0.294 nan 8.300 nan 0.000 0.573 191 G N 0.495 109.380 108.800 0.141 0.000 2.141 191 G HA2 -0.170 3.792 3.960 0.005 0.000 0.231 191 G HA3 -0.170 3.792 3.960 0.005 0.000 0.231 191 G C 0.593 175.564 174.900 0.119 0.000 0.984 191 G CA -0.286 44.876 45.100 0.104 0.000 0.660 191 G HN 0.700 nan 8.290 nan 0.000 0.525 192 G N -0.451 108.442 108.800 0.155 0.000 2.476 192 G HA2 0.470 4.433 3.960 0.005 0.000 0.269 192 G HA3 0.470 4.433 3.960 0.005 0.000 0.269 192 G C -0.640 174.314 174.900 0.090 0.000 1.195 192 G CA 0.284 45.464 45.100 0.134 0.000 0.843 192 G HN 0.227 nan 8.290 nan 0.000 0.545 193 D N 1.794 122.240 120.400 0.076 0.000 2.443 193 D HA 0.275 4.918 4.640 0.005 0.000 0.221 193 D C -1.152 175.190 176.300 0.070 0.000 1.097 193 D CA -2.407 51.621 54.000 0.048 0.000 0.865 193 D CB 1.820 42.631 40.800 0.019 0.000 1.034 193 D HN 0.047 nan 8.370 nan 0.000 0.511 194 P HA -0.098 nan 4.420 nan 0.000 0.225 194 P C 1.179 178.588 177.300 0.182 0.000 1.148 194 P CA 0.682 63.850 63.100 0.114 0.000 0.779 194 P CB 0.199 31.942 31.700 0.072 0.000 0.780 195 M N -1.269 118.368 119.600 0.061 0.000 2.494 195 M HA 0.084 4.567 4.480 0.005 0.000 0.232 195 M C 0.505 176.521 176.300 -0.474 0.000 1.137 195 M CA 0.394 55.626 55.300 -0.114 0.000 1.012 195 M CB 0.177 32.696 32.600 -0.135 0.000 1.567 195 M HN -0.217 nan 8.290 nan 0.000 0.486 196 S N 0.600 116.236 115.700 -0.107 0.000 2.312 196 S HA 0.432 4.905 4.470 0.005 0.000 0.173 196 S C -1.158 173.552 174.600 0.183 0.000 1.488 196 S CA -0.555 57.619 58.200 -0.044 0.000 1.239 196 S CB 0.485 63.638 63.200 -0.079 0.000 1.215 196 S HN -0.036 nan 8.310 nan 0.000 0.438 197 V N 4.025 124.203 119.914 0.439 0.000 2.407 197 V HA 0.524 4.647 4.120 0.005 0.000 0.291 197 V C -0.072 176.202 176.094 0.299 0.000 1.018 197 V CA -0.457 62.030 62.300 0.312 0.000 0.842 197 V CB 1.859 33.843 31.823 0.269 0.000 0.996 197 V HN 0.718 nan 8.190 nan 0.000 0.426 198 T N 6.567 121.258 114.554 0.227 0.000 2.771 198 T HA 0.596 4.948 4.350 0.005 0.000 0.281 198 T C -0.184 174.667 174.700 0.251 0.000 0.982 198 T CA -0.350 61.892 62.100 0.236 0.000 0.978 198 T CB 0.916 69.878 68.868 0.157 0.000 0.930 198 T HN 0.348 nan 8.240 nan 0.000 0.447 199 L N 4.967 126.311 121.223 0.202 0.000 2.305 199 L HA 0.613 4.955 4.340 0.005 0.000 0.281 199 L C -0.368 176.707 176.870 0.341 0.000 1.085 199 L CA -0.802 54.118 54.840 0.134 0.000 0.813 199 L CB 0.152 42.078 42.059 -0.221 0.000 1.157 199 L HN 0.612 nan 8.230 nan 0.000 0.436 200 F N 0.821 120.847 119.950 0.126 0.000 2.565 200 F HA 0.973 5.502 4.527 0.004 0.000 0.313 200 F C -0.188 175.614 175.800 0.003 0.000 1.091 200 F CA -1.555 56.566 58.000 0.202 0.000 0.915 200 F CB 1.574 40.839 39.000 0.442 0.000 1.208 200 F HN 0.437 nan 8.300 nan 0.000 0.453 201 G N 1.322 110.023 108.800 -0.166 0.000 2.660 201 G HA2 0.514 4.477 3.960 0.005 0.000 0.290 201 G HA3 0.514 4.477 3.960 0.005 0.000 0.290 201 G C -2.441 172.236 174.900 -0.372 0.000 1.432 201 G CA -0.789 43.838 45.100 -0.788 0.000 0.807 201 G HN 0.848 nan 8.290 nan 0.000 0.485 202 E N 0.077 119.994 120.200 -0.472 0.000 2.288 202 E HA 0.594 4.947 4.350 0.005 0.000 0.268 202 E C 0.761 177.275 176.600 -0.143 0.000 0.885 202 E CA 0.228 56.573 56.400 -0.091 0.000 0.767 202 E CB 2.254 32.051 29.700 0.162 0.000 1.220 202 E HN 0.857 nan 8.360 nan 0.000 0.427 203 S N 3.062 118.745 115.700 -0.029 0.000 4.155 203 S HA -0.415 4.057 4.470 0.005 0.000 0.542 203 S C 1.504 176.141 174.600 0.061 0.000 1.863 203 S CA 2.890 61.133 58.200 0.071 0.000 4.239 203 S CB -1.601 61.618 63.200 0.032 0.000 0.331 203 S HN 0.941 nan 8.310 nan 0.000 0.461 204 A N 1.285 123.969 122.820 -0.227 0.000 2.014 204 A HA 0.326 4.649 4.320 0.005 0.000 0.218 204 A C 2.512 179.816 177.584 -0.468 0.000 1.163 204 A CA 1.943 53.674 52.037 -0.510 0.000 0.652 204 A CB -1.454 16.783 19.000 -1.272 0.000 0.808 204 A HN 1.484 nan 8.150 nan 0.000 0.449 205 G N -0.241 108.322 108.800 -0.394 0.000 2.418 205 G HA2 0.012 3.975 3.960 0.005 0.000 0.217 205 G HA3 0.012 3.975 3.960 0.005 0.000 0.217 205 G C 1.726 176.436 174.900 -0.317 0.000 1.158 205 G CA 1.297 46.123 45.100 -0.457 0.000 0.771 205 G HN 0.719 nan 8.290 nan 0.000 0.545 206 A N 1.227 123.931 122.820 -0.193 0.000 1.902 206 A HA 0.273 4.596 4.320 0.005 0.000 0.217 206 A C 2.823 180.379 177.584 -0.047 0.000 1.181 206 A CA 2.250 54.244 52.037 -0.071 0.000 0.623 206 A CB -0.824 18.194 19.000 0.029 0.000 0.818 206 A HN 0.784 nan 8.150 nan 0.000 0.443 207 A N -0.628 122.188 122.820 -0.005 0.000 1.933 207 A HA -0.079 4.244 4.320 0.005 0.000 0.218 207 A C 2.445 180.012 177.584 -0.029 0.000 1.175 207 A CA 2.089 54.117 52.037 -0.014 0.000 0.628 207 A CB -0.871 18.158 19.000 0.049 0.000 0.814 207 A HN 0.444 nan 8.150 nan 0.000 0.444 208 S N -0.502 115.167 115.700 -0.053 0.000 2.359 208 S HA -0.146 4.327 4.470 0.005 0.000 0.224 208 S C 1.910 176.422 174.600 -0.146 0.000 1.035 208 S CA 1.468 59.587 58.200 -0.134 0.000 1.018 208 S CB -0.506 62.549 63.200 -0.240 0.000 0.876 208 S HN 0.348 nan 8.310 nan 0.000 0.448 209 V N 1.614 121.471 119.914 -0.095 0.000 2.332 209 V HA -0.185 3.938 4.120 0.005 0.000 0.248 209 V C 2.572 178.641 176.094 -0.042 0.000 1.055 209 V CA 1.962 64.224 62.300 -0.063 0.000 1.038 209 V CB -1.459 30.313 31.823 -0.086 0.000 0.651 209 V HN 0.604 nan 8.190 nan 0.000 0.450 210 G N -0.353 108.418 108.800 -0.049 0.000 2.418 210 G HA2 -0.240 3.723 3.960 0.005 0.000 0.217 210 G HA3 -0.240 3.723 3.960 0.005 0.000 0.217 210 G C 1.488 176.383 174.900 -0.008 0.000 1.158 210 G CA 1.072 46.150 45.100 -0.036 0.000 0.771 210 G HN 0.416 nan 8.290 nan 0.000 0.545 211 M N 0.217 119.788 119.600 -0.049 0.000 2.229 211 M HA -0.000 4.482 4.480 0.005 0.000 0.264 211 M C 2.167 178.533 176.300 0.111 0.000 1.063 211 M CA 0.956 56.264 55.300 0.014 0.000 1.114 211 M CB -1.084 31.473 32.600 -0.071 0.000 1.387 211 M HN 0.222 nan 8.290 nan 0.000 0.420 212 H N 0.413 119.576 119.070 0.156 0.000 2.395 212 H HA 0.100 4.659 4.556 0.004 0.000 0.299 212 H C 2.248 177.752 175.328 0.294 0.000 1.070 212 H CA 1.151 57.294 56.048 0.158 0.000 1.356 212 H CB -0.211 29.489 29.762 -0.104 0.000 1.401 212 H HN 0.386 nan 8.280 nan 0.000 0.524 213 I N 0.645 121.449 120.570 0.390 0.000 2.361 213 I HA -0.225 3.947 4.170 0.005 0.000 0.251 213 I C 1.707 178.004 176.117 0.299 0.000 1.133 213 I CA 1.042 62.597 61.300 0.426 0.000 1.413 213 I CB -0.019 38.116 38.000 0.224 0.000 1.073 213 I HN 0.118 nan 8.210 nan 0.000 0.424 214 L N -0.988 120.364 121.223 0.215 0.000 2.607 214 L HA 0.132 4.475 4.340 0.005 0.000 0.228 214 L C 0.831 177.769 176.870 0.113 0.000 1.123 214 L CA 0.023 54.976 54.840 0.188 0.000 0.890 214 L CB 0.133 42.276 42.059 0.140 0.000 1.103 214 L HN 0.004 nan 8.230 nan 0.000 0.468 215 S N 0.090 115.832 115.700 0.070 0.000 2.640 215 S HA 0.264 4.737 4.470 0.005 0.000 0.320 215 S C 1.060 175.605 174.600 -0.093 0.000 1.097 215 S CA -0.625 57.504 58.200 -0.118 0.000 1.092 215 S CB 1.003 63.899 63.200 -0.507 0.000 0.988 215 S HN 0.037 nan 8.310 nan 0.000 0.470 216 L N 5.900 127.075 121.223 -0.081 0.000 2.010 216 L HA -0.041 4.302 4.340 0.005 0.000 0.219 216 L C -0.768 176.068 176.870 -0.057 0.000 1.077 216 L CA 2.394 57.202 54.840 -0.053 0.000 0.773 216 L CB -2.343 39.684 42.059 -0.054 0.000 0.892 216 L HN 0.537 nan 8.230 nan 0.000 0.436 217 P HA -0.046 nan 4.420 nan 0.000 0.228 217 P C 1.614 178.907 177.300 -0.011 0.000 1.151 217 P CA 0.876 63.940 63.100 -0.060 0.000 0.770 217 P CB 0.135 31.787 31.700 -0.081 0.000 0.786 218 S N -1.107 114.607 115.700 0.024 0.000 2.470 218 S HA 0.046 4.519 4.470 0.005 0.000 0.222 218 S C 1.824 176.573 174.600 0.249 0.000 1.024 218 S CA 0.142 58.450 58.200 0.181 0.000 0.931 218 S CB -0.239 63.178 63.200 0.361 0.000 0.791 218 S HN 0.018 nan 8.310 nan 0.000 0.513 219 R N 2.423 122.981 120.500 0.097 0.000 2.103 219 R HA -0.057 4.286 4.340 0.005 0.000 0.242 219 R C 2.317 178.427 176.300 -0.315 0.000 1.142 219 R CA 1.751 57.760 56.100 -0.152 0.000 0.960 219 R CB -1.508 28.734 30.300 -0.096 0.000 0.858 219 R HN 0.574 nan 8.270 nan 0.000 0.439 220 S N 0.019 115.631 115.700 -0.146 0.000 2.603 220 S HA 0.035 4.507 4.470 0.005 0.000 0.229 220 S C 1.716 176.233 174.600 -0.139 0.000 0.972 220 S CA 0.478 58.596 58.200 -0.136 0.000 0.935 220 S CB -0.209 62.955 63.200 -0.059 0.000 0.769 220 S HN 0.243 nan 8.310 nan 0.000 0.536 221 L N -0.199 120.964 121.223 -0.100 0.000 2.664 221 L HA 0.471 4.813 4.340 0.005 0.000 0.233 221 L C 0.083 176.965 176.870 0.021 0.000 1.113 221 L CA -0.244 54.603 54.840 0.012 0.000 0.896 221 L CB 0.174 42.296 42.059 0.105 0.000 1.163 221 L HN 0.500 nan 8.230 nan 0.000 0.497 222 F N -4.192 115.543 119.950 -0.358 0.000 2.711 222 F HA 0.486 5.015 4.527 0.004 0.000 0.313 222 F C 0.477 175.904 175.800 -0.622 0.000 1.141 222 F CA -0.996 56.742 58.000 -0.436 0.000 0.941 222 F CB 0.782 39.696 39.000 -0.144 0.000 1.349 222 F HN -0.165 nan 8.300 nan 0.000 0.464 223 H N -0.678 118.415 119.070 0.037 0.000 3.091 223 H HA 0.457 5.016 4.556 0.004 0.000 0.249 223 H C -0.113 175.223 175.328 0.012 0.000 0.985 223 H CA 0.055 56.054 56.048 -0.081 0.000 1.177 223 H CB 0.923 30.658 29.762 -0.045 0.000 1.456 223 H HN 0.431 nan 8.280 nan 0.000 0.467 224 R N 0.090 120.766 120.500 0.294 0.000 2.799 224 R HA 0.719 5.061 4.340 0.005 0.000 0.270 224 R C -1.406 175.168 176.300 0.456 0.000 1.010 224 R CA -0.697 55.571 56.100 0.280 0.000 0.916 224 R CB 2.920 33.217 30.300 -0.006 0.000 1.228 224 R HN 0.142 nan 8.270 nan 0.000 0.469 225 A N 1.155 124.255 122.820 0.467 0.000 2.455 225 A HA 0.635 4.958 4.320 0.005 0.000 0.300 225 A C -1.403 176.328 177.584 0.244 0.000 1.040 225 A CA -0.599 51.639 52.037 0.335 0.000 0.697 225 A CB 1.820 20.987 19.000 0.277 0.000 1.265 225 A HN 0.310 nan 8.150 nan 0.000 0.407 226 V N 2.543 122.567 119.914 0.184 0.000 2.409 226 V HA 0.478 4.601 4.120 0.005 0.000 0.291 226 V C -0.998 175.191 176.094 0.158 0.000 1.020 226 V CA -0.324 62.026 62.300 0.083 0.000 0.848 226 V CB 1.144 33.032 31.823 0.107 0.000 0.990 226 V HN 0.681 nan 8.190 nan 0.000 0.430 227 L N 5.461 126.745 121.223 0.101 0.000 2.295 227 L HA 0.492 4.835 4.340 0.005 0.000 0.281 227 L C 0.113 177.083 176.870 0.166 0.000 1.018 227 L CA 0.086 54.984 54.840 0.097 0.000 0.841 227 L CB 1.409 43.480 42.059 0.020 0.000 1.218 227 L HN 0.630 nan 8.230 nan 0.000 0.424 228 Q N 2.152 122.101 119.800 0.247 0.000 2.331 228 Q HA 0.419 4.762 4.340 0.005 0.000 0.257 228 Q C 0.119 176.236 176.000 0.195 0.000 0.957 228 Q CA -0.526 55.476 55.803 0.331 0.000 0.923 228 Q CB 1.141 30.166 28.738 0.478 0.000 1.212 228 Q HN 0.624 nan 8.270 nan 0.000 0.443 229 S N 0.952 116.749 115.700 0.161 0.000 3.628 229 S HA -0.156 4.317 4.470 0.005 0.000 0.373 229 S C 0.089 174.851 174.600 0.271 0.000 0.968 229 S CA 0.456 58.773 58.200 0.195 0.000 1.215 229 S CB -1.343 61.977 63.200 0.200 0.000 0.912 229 S HN 1.012 nan 8.310 nan 0.000 0.495 230 G N -0.298 108.630 108.800 0.214 0.000 2.556 230 G HA2 0.648 4.611 3.960 0.005 0.000 0.294 230 G HA3 0.648 4.611 3.960 0.005 0.000 0.294 230 G C -0.890 174.072 174.900 0.104 0.000 1.516 230 G CA 0.113 45.394 45.100 0.301 0.000 0.824 230 G HN 0.982 nan 8.290 nan 0.000 0.535 231 T N -1.117 113.438 114.554 0.001 0.000 2.883 231 T HA 0.757 5.109 4.350 0.005 0.000 0.301 231 T C -2.313 172.235 174.700 -0.253 0.000 1.158 231 T CA -1.523 60.502 62.100 -0.125 0.000 1.007 231 T CB 3.108 71.889 68.868 -0.145 0.000 1.186 231 T HN 0.258 nan 8.240 nan 0.000 0.499 232 P HA 0.008 nan 4.420 nan 0.000 0.222 232 P C 0.263 177.399 177.300 -0.273 0.000 1.153 232 P CA 0.582 63.550 63.100 -0.220 0.000 0.798 232 P CB -0.018 31.607 31.700 -0.125 0.000 0.796 233 N N 0.467 119.022 118.700 -0.241 0.000 2.364 233 N HA 0.344 5.087 4.740 0.005 0.000 0.264 233 N C 0.694 175.996 175.510 -0.346 0.000 1.263 233 N CA 0.394 53.305 53.050 -0.232 0.000 0.959 233 N CB 0.367 38.763 38.487 -0.150 0.000 1.204 233 N HN 0.167 nan 8.380 nan 0.000 0.550 234 G N -0.921 107.697 108.800 -0.304 0.000 2.541 234 G HA2 -0.107 3.856 3.960 0.005 0.000 0.686 234 G HA3 -0.107 3.856 3.960 0.005 0.000 0.686 234 G C -2.384 172.274 174.900 -0.402 0.000 1.286 234 G CA -0.259 44.611 45.100 -0.382 0.000 0.894 234 G HN 0.545 nan 8.290 nan 0.000 0.575 235 P HA 0.155 nan 4.420 nan 0.000 0.245 235 P C 1.314 178.558 177.300 -0.093 0.000 1.206 235 P CA 1.717 64.690 63.100 -0.211 0.000 0.781 235 P CB -0.065 31.500 31.700 -0.225 0.000 0.994 236 W N -2.067 119.168 121.300 -0.109 0.000 2.773 236 W HA 0.569 5.231 4.660 0.003 0.000 0.297 236 W C 0.960 177.549 176.519 0.118 0.000 1.050 236 W CA 0.418 57.770 57.345 0.012 0.000 1.467 236 W CB -0.728 28.810 29.460 0.130 0.000 0.977 236 W HN -0.170 nan 8.180 nan 0.000 0.573 237 A N 2.025 124.527 122.820 -0.530 0.000 2.067 237 A HA 0.130 4.453 4.320 0.005 0.000 0.217 237 A C 1.134 178.564 177.584 -0.257 0.000 1.156 237 A CA 1.853 53.627 52.037 -0.437 0.000 0.683 237 A CB -0.776 17.706 19.000 -0.863 0.000 0.808 237 A HN 0.230 nan 8.150 nan 0.000 0.455 238 T N -3.045 111.370 114.554 -0.230 0.000 2.883 238 T HA 0.606 4.958 4.350 0.005 0.000 0.296 238 T C -0.657 173.960 174.700 -0.139 0.000 1.117 238 T CA -0.141 61.835 62.100 -0.207 0.000 1.006 238 T CB 1.455 70.213 68.868 -0.182 0.000 1.191 238 T HN 0.835 nan 8.240 nan 0.000 0.508 239 V N -0.922 118.917 119.914 -0.125 0.000 2.864 239 V HA 0.886 5.008 4.120 0.005 0.000 0.314 239 V C 0.402 176.454 176.094 -0.070 0.000 1.073 239 V CA -0.860 61.386 62.300 -0.090 0.000 0.956 239 V CB 1.308 33.077 31.823 -0.090 0.000 1.023 239 V HN 1.362 nan 8.190 nan 0.000 0.435 240 S N 2.404 118.070 115.700 -0.057 0.000 2.576 240 S HA 0.457 4.930 4.470 0.005 0.000 0.272 240 S C 1.446 176.026 174.600 -0.034 0.000 1.352 240 S CA 0.166 58.341 58.200 -0.042 0.000 1.021 240 S CB 1.080 64.258 63.200 -0.037 0.000 0.887 240 S HN 1.963 nan 8.310 nan 0.000 0.542 241 A N 2.773 125.580 122.820 -0.023 0.000 1.908 241 A HA 0.083 4.406 4.320 0.005 0.000 0.218 241 A C 2.245 179.819 177.584 -0.017 0.000 1.181 241 A CA 1.826 53.854 52.037 -0.014 0.000 0.627 241 A CB -1.849 17.146 19.000 -0.008 0.000 0.818 241 A HN 1.191 nan 8.150 nan 0.000 0.445 242 G N -0.511 108.277 108.800 -0.021 0.000 2.418 242 G HA2 -0.244 3.719 3.960 0.005 0.000 0.217 242 G HA3 -0.244 3.719 3.960 0.005 0.000 0.217 242 G C 1.477 176.361 174.900 -0.027 0.000 1.158 242 G CA 1.396 46.483 45.100 -0.022 0.000 0.771 242 G HN 0.585 nan 8.290 nan 0.000 0.545 243 E N 1.044 121.222 120.200 -0.036 0.000 2.072 243 E HA 0.081 4.433 4.350 0.005 0.000 0.191 243 E C 2.643 179.210 176.600 -0.056 0.000 0.985 243 E CA 1.415 57.785 56.400 -0.049 0.000 0.801 243 E CB -0.582 29.083 29.700 -0.058 0.000 0.750 243 E HN 0.268 nan 8.360 nan 0.000 0.452 244 A N 0.853 123.648 122.820 -0.042 0.000 1.933 244 A HA -0.178 4.144 4.320 0.005 0.000 0.218 244 A C 2.288 179.876 177.584 0.007 0.000 1.175 244 A CA 1.735 53.763 52.037 -0.016 0.000 0.628 244 A CB -0.622 18.384 19.000 0.011 0.000 0.814 244 A HN 0.277 nan 8.150 nan 0.000 0.444 245 R N -0.595 119.901 120.500 -0.007 0.000 2.083 245 R HA -0.140 4.202 4.340 0.005 0.000 0.237 245 R C 2.468 178.762 176.300 -0.010 0.000 1.137 245 R CA 1.657 57.751 56.100 -0.010 0.000 0.951 245 R CB -0.320 29.971 30.300 -0.015 0.000 0.851 245 R HN 0.509 nan 8.270 nan 0.000 0.434 246 R N 0.354 120.842 120.500 -0.020 0.000 2.082 246 R HA -0.144 4.198 4.340 0.005 0.000 0.234 246 R C 2.344 178.631 176.300 -0.021 0.000 1.136 246 R CA 2.097 58.183 56.100 -0.023 0.000 0.935 246 R CB -0.175 30.104 30.300 -0.034 0.000 0.842 246 R HN 0.287 nan 8.270 nan 0.000 0.430 247 R N -0.375 120.097 120.500 -0.047 0.000 2.105 247 R HA -0.111 4.231 4.340 0.005 0.000 0.239 247 R C 2.243 178.598 176.300 0.091 0.000 1.135 247 R CA 1.377 57.432 56.100 -0.075 0.000 0.967 247 R CB -0.285 29.834 30.300 -0.302 0.000 0.861 247 R HN 0.267 nan 8.270 nan 0.000 0.442 248 A N 0.388 123.292 122.820 0.141 0.000 1.897 248 A HA -0.144 4.178 4.320 0.005 0.000 0.215 248 A C 2.265 179.867 177.584 0.031 0.000 1.181 248 A CA 1.817 53.946 52.037 0.153 0.000 0.620 248 A CB -0.688 18.343 19.000 0.052 0.000 0.821 248 A HN 0.399 nan 8.150 nan 0.000 0.443 249 T N -1.241 113.317 114.554 0.007 0.000 2.857 249 T HA -0.102 4.250 4.350 0.005 0.000 0.266 249 T C 1.827 176.526 174.700 -0.002 0.000 1.048 249 T CA 1.526 63.617 62.100 -0.015 0.000 1.139 249 T CB -0.402 68.453 68.868 -0.021 0.000 0.874 249 T HN 0.203 nan 8.240 nan 0.000 0.455 250 L N 0.914 122.145 121.223 0.014 0.000 2.042 250 L HA 0.133 4.475 4.340 0.005 0.000 0.210 250 L C 2.341 179.235 176.870 0.040 0.000 1.076 250 L CA 1.816 56.669 54.840 0.022 0.000 0.749 250 L CB -1.222 40.851 42.059 0.023 0.000 0.893 250 L HN 0.434 nan 8.230 nan 0.000 0.432 251 L N -0.323 120.950 121.223 0.083 0.000 2.012 251 L HA -0.144 4.199 4.340 0.005 0.000 0.210 251 L C 2.533 179.407 176.870 0.007 0.000 1.073 251 L CA 2.046 56.945 54.840 0.099 0.000 0.748 251 L CB -0.838 41.337 42.059 0.194 0.000 0.891 251 L HN 0.299 nan 8.230 nan 0.000 0.431 252 A N -0.246 122.561 122.820 -0.023 0.000 1.873 252 A HA -0.294 4.029 4.320 0.005 0.000 0.218 252 A C 2.408 179.964 177.584 -0.047 0.000 1.193 252 A CA 2.203 54.209 52.037 -0.051 0.000 0.629 252 A CB -0.712 18.251 19.000 -0.061 0.000 0.826 252 A HN 0.521 nan 8.150 nan 0.000 0.447 253 R N -0.743 119.736 120.500 -0.035 0.000 2.094 253 R HA -0.140 4.203 4.340 0.005 0.000 0.239 253 R C 2.108 178.366 176.300 -0.069 0.000 1.137 253 R CA 1.757 57.834 56.100 -0.039 0.000 0.943 253 R CB -0.672 29.614 30.300 -0.023 0.000 0.850 253 R HN 0.562 nan 8.270 nan 0.000 0.433 254 L N 0.704 121.876 121.223 -0.085 0.000 2.189 254 L HA -0.146 4.196 4.340 0.005 0.000 0.214 254 L C 2.053 178.709 176.870 -0.356 0.000 1.097 254 L CA 0.920 55.640 54.840 -0.199 0.000 0.764 254 L CB -0.338 41.628 42.059 -0.156 0.000 0.900 254 L HN 0.210 nan 8.230 nan 0.000 0.436 255 V N -4.034 115.750 119.914 -0.218 0.000 3.483 255 V HA 0.506 4.629 4.120 0.005 0.000 0.301 255 V C 0.960 177.008 176.094 -0.077 0.000 1.389 255 V CA 0.106 62.309 62.300 -0.162 0.000 1.101 255 V CB -0.240 31.538 31.823 -0.075 0.000 0.971 255 V HN 0.395 nan 8.190 nan 0.000 0.434 256 G N -0.361 108.397 108.800 -0.070 0.000 2.545 256 G HA2 -0.156 3.807 3.960 0.005 0.000 0.279 256 G HA3 -0.156 3.807 3.960 0.005 0.000 0.279 256 G C -0.289 174.594 174.900 -0.027 0.000 1.131 256 G CA -0.098 44.978 45.100 -0.039 0.000 1.100 256 G HN 0.799 nan 8.290 nan 0.000 0.525 266 D N 0.153 120.540 120.400 -0.021 0.000 2.144 266 D HA -0.068 4.575 4.640 0.005 0.000 0.199 266 D C 1.118 177.401 176.300 -0.028 0.000 0.984 266 D CA 2.058 56.039 54.000 -0.032 0.000 0.834 266 D CB -0.392 40.389 40.800 -0.032 0.000 0.955 266 D HN 0.692 nan 8.370 nan 0.000 0.465 267 T N 0.970 115.515 114.554 -0.015 0.000 2.665 267 T HA -0.176 4.176 4.350 0.005 0.000 0.268 267 T C 1.835 176.532 174.700 -0.004 0.000 1.035 267 T CA 1.272 63.369 62.100 -0.005 0.000 1.151 267 T CB -0.215 68.654 68.868 0.001 0.000 0.862 267 T HN 0.275 nan 8.240 nan 0.000 0.438 268 E N 0.288 120.483 120.200 -0.007 0.000 2.077 268 E HA -0.090 4.263 4.350 0.005 0.000 0.193 268 E C 2.211 178.804 176.600 -0.012 0.000 0.989 268 E CA 0.844 57.240 56.400 -0.006 0.000 0.800 268 E CB -0.233 29.463 29.700 -0.008 0.000 0.746 268 E HN 0.363 nan 8.360 nan 0.000 0.452 269 L N 0.714 121.922 121.223 -0.026 0.000 1.994 269 L HA -0.196 4.146 4.340 0.005 0.000 0.208 269 L C 2.257 179.094 176.870 -0.055 0.000 1.071 269 L CA 1.251 56.065 54.840 -0.043 0.000 0.745 269 L CB -0.127 41.897 42.059 -0.059 0.000 0.892 269 L HN 0.132 nan 8.230 nan 0.000 0.431 270 I N -0.058 120.474 120.570 -0.063 0.000 2.226 270 I HA -0.296 3.877 4.170 0.005 0.000 0.245 270 I C 2.742 178.888 176.117 0.047 0.000 1.100 270 I CA 1.204 62.466 61.300 -0.062 0.000 1.374 270 I CB -0.606 37.364 38.000 -0.051 0.000 1.057 270 I HN 0.339 nan 8.210 nan 0.000 0.413 271 A N -0.338 122.504 122.820 0.037 0.000 1.940 271 A HA -0.302 4.021 4.320 0.005 0.000 0.219 271 A C 2.527 180.141 177.584 0.049 0.000 1.176 271 A CA 2.036 54.103 52.037 0.050 0.000 0.631 271 A CB -1.339 17.678 19.000 0.029 0.000 0.814 271 A HN 0.645 nan 8.150 nan 0.000 0.446 272 c N -0.610 118.008 118.600 0.029 0.000 2.462 272 c HA 0.001 4.574 4.570 0.005 0.000 0.278 272 c C 2.584 176.700 174.090 0.044 0.000 1.253 272 c CA 1.073 57.416 56.329 0.024 0.000 1.713 272 c CB -1.588 40.924 42.510 0.003 0.000 2.049 272 c HN 0.597 nan 8.230 nan 0.000 0.477 273 L N 0.601 121.854 121.223 0.049 0.000 2.089 273 L HA -0.206 4.137 4.340 0.005 0.000 0.213 273 L C 2.965 179.967 176.870 0.219 0.000 1.079 273 L CA 1.838 56.745 54.840 0.112 0.000 0.758 273 L CB -0.660 41.419 42.059 0.033 0.000 0.891 273 L HN 0.396 nan 8.230 nan 0.000 0.433 274 R N -0.690 119.945 120.500 0.225 0.000 2.189 274 R HA -0.106 4.236 4.340 0.005 0.000 0.223 274 R C 2.119 178.449 176.300 0.051 0.000 1.092 274 R CA 1.635 57.810 56.100 0.126 0.000 0.989 274 R CB -0.385 29.979 30.300 0.106 0.000 0.876 274 R HN 0.530 nan 8.270 nan 0.000 0.457 275 T N -1.733 112.851 114.554 0.051 0.000 3.100 275 T HA 0.128 4.480 4.350 0.005 0.000 0.253 275 T C 0.847 175.563 174.700 0.026 0.000 1.118 275 T CA -0.210 61.908 62.100 0.029 0.000 1.058 275 T CB 0.191 69.074 68.868 0.025 0.000 0.953 275 T HN -0.147 nan 8.240 nan 0.000 0.515 276 R N 2.725 123.247 120.500 0.037 0.000 2.441 276 R HA 0.418 4.761 4.340 0.005 0.000 0.284 276 R C -2.726 173.588 176.300 0.024 0.000 1.070 276 R CA -2.592 53.529 56.100 0.034 0.000 1.047 276 R CB -0.024 30.301 30.300 0.043 0.000 1.016 276 R HN 0.257 nan 8.270 nan 0.000 0.477 277 P HA 0.051 nan 4.420 nan 0.000 0.269 277 P C 0.279 177.565 177.300 -0.023 0.000 1.209 277 P CA 0.035 63.130 63.100 -0.008 0.000 0.776 277 P CB 0.599 32.304 31.700 0.008 0.000 0.876 278 A N 2.429 125.175 122.820 -0.123 0.000 1.927 278 A HA -0.301 4.022 4.320 0.005 0.000 0.220 278 A C 2.168 179.685 177.584 -0.111 0.000 1.185 278 A CA 2.092 54.027 52.037 -0.171 0.000 0.639 278 A CB -1.336 17.099 19.000 -0.941 0.000 0.820 278 A HN 0.550 nan 8.150 nan 0.000 0.451 279 Q N -0.169 119.544 119.800 -0.146 0.000 2.170 279 Q HA -0.151 4.192 4.340 0.005 0.000 0.203 279 Q C 1.273 177.366 176.000 0.156 0.000 0.976 279 Q CA 1.908 57.776 55.803 0.108 0.000 0.858 279 Q CB -0.358 28.476 28.738 0.159 0.000 0.907 279 Q HN 0.653 nan 8.270 nan 0.000 0.433 280 D N -0.611 119.864 120.400 0.125 0.000 2.144 280 D HA -0.127 4.516 4.640 0.005 0.000 0.199 280 D C 1.665 178.099 176.300 0.224 0.000 0.984 280 D CA 0.957 55.069 54.000 0.188 0.000 0.834 280 D CB -0.083 40.808 40.800 0.151 0.000 0.955 280 D HN 0.296 nan 8.370 nan 0.000 0.465 281 L N 0.003 121.305 121.223 0.131 0.000 2.027 281 L HA -0.121 4.222 4.340 0.005 0.000 0.206 281 L C 2.458 179.398 176.870 0.116 0.000 1.074 281 L CA 0.634 55.504 54.840 0.050 0.000 0.745 281 L CB -0.526 41.422 42.059 -0.185 0.000 0.898 281 L HN -0.029 nan 8.230 nan 0.000 0.433 282 V N -0.024 120.026 119.914 0.227 0.000 2.343 282 V HA -0.289 3.834 4.120 0.005 0.000 0.247 282 V C 2.063 178.314 176.094 0.263 0.000 1.051 282 V CA 1.902 64.396 62.300 0.323 0.000 1.036 282 V CB -0.567 31.552 31.823 0.493 0.000 0.654 282 V HN 0.422 nan 8.190 nan 0.000 0.451 283 D N -0.839 119.676 120.400 0.190 0.000 2.221 283 D HA -0.149 4.494 4.640 0.005 0.000 0.204 283 D C 1.808 177.996 176.300 -0.187 0.000 0.982 283 D CA 1.439 55.459 54.000 0.034 0.000 0.857 283 D CB -0.210 40.562 40.800 -0.047 0.000 0.934 283 D HN 0.638 nan 8.370 nan 0.000 0.475 284 H N -0.859 118.277 119.070 0.112 0.000 2.652 284 H HA 0.200 4.759 4.556 0.005 0.000 0.274 284 H C 1.551 176.866 175.328 -0.022 0.000 1.021 284 H CA -0.130 55.975 56.048 0.095 0.000 1.187 284 H CB 0.608 30.492 29.762 0.203 0.000 1.505 284 H HN 0.052 nan 8.280 nan 0.000 0.530 285 E N 0.399 120.622 120.200 0.039 0.000 2.086 285 E HA -0.233 4.120 4.350 0.005 0.000 0.200 285 E C 0.594 177.010 176.600 -0.306 0.000 1.012 285 E CA 1.436 57.799 56.400 -0.061 0.000 0.812 285 E CB -0.033 29.559 29.700 -0.181 0.000 0.743 285 E HN 0.601 nan 8.360 nan 0.000 0.453 286 W N -0.446 120.724 121.300 -0.217 0.000 3.180 286 W HA -0.011 4.651 4.660 0.004 0.000 0.254 286 W C 1.423 177.861 176.519 -0.134 0.000 1.318 286 W CA 0.015 57.213 57.345 -0.245 0.000 1.608 286 W CB 0.260 29.515 29.460 -0.341 0.000 1.124 286 W HN 0.169 nan 8.180 nan 0.000 0.694 287 H N -0.426 118.751 119.070 0.180 0.000 2.526 287 H HA 0.093 4.652 4.556 0.005 0.000 0.274 287 H C 1.802 177.177 175.328 0.077 0.000 0.999 287 H CA 0.754 56.889 56.048 0.145 0.000 1.157 287 H CB -0.484 29.390 29.762 0.188 0.000 1.407 287 H HN 0.243 nan 8.280 nan 0.000 0.568 288 V N -2.293 117.681 119.914 0.100 0.000 3.528 288 V HA 0.265 4.388 4.120 0.005 0.000 0.294 288 V C 0.616 176.673 176.094 -0.061 0.000 1.404 288 V CA -0.213 62.091 62.300 0.008 0.000 1.065 288 V CB -0.297 31.500 31.823 -0.044 0.000 0.904 288 V HN -0.032 nan 8.190 nan 0.000 0.435 289 L N 2.453 123.655 121.223 -0.035 0.000 2.416 289 L HA 0.308 4.651 4.340 0.005 0.000 0.272 289 L C -0.391 176.466 176.870 -0.021 0.000 1.161 289 L CA -1.178 53.632 54.840 -0.050 0.000 0.845 289 L CB 0.761 42.814 42.059 -0.010 0.000 1.119 289 L HN 0.114 nan 8.230 nan 0.000 0.464 290 P HA -0.122 nan 4.420 nan 0.000 0.218 290 P C -0.190 177.106 177.300 -0.006 0.000 1.148 290 P CA 1.260 64.347 63.100 -0.022 0.000 0.822 290 P CB 0.336 32.017 31.700 -0.031 0.000 0.784 291 Q N -1.444 118.354 119.800 -0.004 0.000 2.587 291 Q HA 0.365 4.707 4.340 0.005 0.000 0.293 291 Q C -0.502 175.506 176.000 0.014 0.000 1.083 291 Q CA -0.826 54.980 55.803 0.005 0.000 0.792 291 Q CB 1.034 29.772 28.738 0.000 0.000 1.484 291 Q HN -0.030 nan 8.270 nan 0.000 0.446 292 E N 0.905 121.116 120.200 0.018 0.000 2.366 292 E HA 0.364 4.717 4.350 0.005 0.000 0.266 292 E C -1.087 175.520 176.600 0.013 0.000 1.015 292 E CA 0.042 56.456 56.400 0.024 0.000 0.906 292 E CB 0.337 30.053 29.700 0.026 0.000 0.979 292 E HN 0.591 nan 8.360 nan 0.000 0.443 293 S N 3.796 119.501 115.700 0.009 0.000 2.565 293 S HA 0.570 5.042 4.470 0.005 0.000 0.269 293 S C -0.431 174.157 174.600 -0.020 0.000 1.153 293 S CA -1.057 57.137 58.200 -0.010 0.000 0.835 293 S CB 0.644 63.824 63.200 -0.032 0.000 1.122 293 S HN 0.557 nan 8.310 nan 0.000 0.462 294 I N -2.312 118.243 120.570 -0.025 0.000 2.797 294 I HA 0.809 4.982 4.170 0.005 0.000 0.307 294 I C -0.166 175.880 176.117 -0.118 0.000 1.033 294 I CA -1.162 60.116 61.300 -0.036 0.000 1.071 294 I CB 0.907 38.948 38.000 0.069 0.000 1.255 294 I HN 0.769 nan 8.210 nan 0.000 0.445 295 F N 1.600 121.244 119.950 -0.509 0.000 3.080 295 F HA -0.182 4.348 4.527 0.005 0.000 0.292 295 F C -0.259 174.900 175.800 -1.069 0.000 0.891 295 F CA 0.672 58.146 58.000 -0.878 0.000 1.086 295 F CB -0.583 37.935 39.000 -0.803 0.000 1.095 295 F HN 0.585 nan 8.300 nan 0.000 0.633 296 R N 0.443 120.313 120.500 -1.049 0.000 2.621 296 R HA 0.644 4.986 4.340 0.005 0.000 0.284 296 R C -1.086 174.666 176.300 -0.913 0.000 0.998 296 R CA -0.568 55.050 56.100 -0.804 0.000 0.895 296 R CB 1.332 31.464 30.300 -0.280 0.000 1.195 296 R HN 0.010 nan 8.270 nan 0.000 0.450 297 F N -0.689 119.314 119.950 0.088 0.000 2.565 297 F HA 0.350 4.879 4.527 0.004 0.000 0.313 297 F C 1.462 177.130 175.800 -0.219 0.000 1.091 297 F CA -0.852 57.121 58.000 -0.045 0.000 0.915 297 F CB 1.873 40.973 39.000 0.166 0.000 1.208 297 F HN 0.344 nan 8.300 nan 0.000 0.453 298 S N 0.739 116.230 115.700 -0.348 0.000 2.356 298 S HA -0.057 4.416 4.470 0.005 0.000 0.223 298 S C 0.027 174.141 174.600 -0.809 0.000 1.032 298 S CA 1.237 59.062 58.200 -0.626 0.000 1.005 298 S CB -0.253 62.459 63.200 -0.813 0.000 0.867 298 S HN 0.371 nan 8.310 nan 0.000 0.449 299 F N 1.648 121.568 119.950 -0.050 0.000 2.382 299 F HA 0.560 5.090 4.527 0.005 0.000 0.361 299 F C -0.017 175.760 175.800 -0.038 0.000 1.109 299 F CA -1.029 56.980 58.000 0.016 0.000 1.031 299 F CB 1.243 40.293 39.000 0.083 0.000 1.234 299 F HN -0.092 nan 8.300 nan 0.000 0.445 300 V N 0.601 120.445 119.914 -0.117 0.000 3.158 300 V HA 0.759 4.882 4.120 0.005 0.000 0.311 300 V C -2.888 172.786 176.094 -0.700 0.000 1.181 300 V CA -3.432 58.456 62.300 -0.686 0.000 1.054 300 V CB 1.988 33.605 31.823 -0.343 0.000 1.085 300 V HN 0.257 nan 8.190 nan 0.000 0.446 301 P HA 0.099 nan 4.420 nan 0.000 0.261 301 P C -0.654 176.501 177.300 -0.242 0.000 1.173 301 P CA 0.582 63.384 63.100 -0.497 0.000 0.760 301 P CB 0.488 31.824 31.700 -0.607 0.000 0.783 302 V N 5.529 125.385 119.914 -0.098 0.000 2.483 302 V HA 0.189 4.312 4.120 0.005 0.000 0.295 302 V C -0.145 175.928 176.094 -0.035 0.000 1.035 302 V CA -0.788 61.479 62.300 -0.055 0.000 0.896 302 V CB 1.870 33.691 31.823 -0.004 0.000 0.986 302 V HN 0.139 nan 8.190 nan 0.000 0.447 303 V N 7.608 127.502 119.914 -0.034 0.000 2.359 303 V HA 0.133 4.256 4.120 0.005 0.000 0.248 303 V C 0.856 176.955 176.094 0.010 0.000 1.091 303 V CA 0.347 62.642 62.300 -0.008 0.000 1.103 303 V CB -0.104 31.706 31.823 -0.021 0.000 1.176 303 V HN 1.054 nan 8.190 nan 0.000 0.488 304 D N 2.567 122.988 120.400 0.035 0.000 2.349 304 D HA 0.104 4.747 4.640 0.005 0.000 0.214 304 D C 1.586 177.910 176.300 0.040 0.000 1.063 304 D CA 0.599 54.623 54.000 0.040 0.000 0.847 304 D CB 0.304 41.141 40.800 0.062 0.000 0.933 304 D HN 0.642 nan 8.370 nan 0.000 0.513 305 G N 0.778 109.602 108.800 0.039 0.000 2.187 305 G HA2 -0.345 3.618 3.960 0.005 0.000 0.261 305 G HA3 -0.345 3.618 3.960 0.005 0.000 0.261 305 G C 0.374 175.298 174.900 0.040 0.000 1.000 305 G CA 0.958 46.078 45.100 0.032 0.000 0.718 305 G HN 0.559 nan 8.290 nan 0.000 0.519 306 D N -1.756 118.684 120.400 0.066 0.000 3.028 306 D HA 0.216 4.859 4.640 0.005 0.000 0.205 306 D C 1.713 178.068 176.300 0.091 0.000 1.489 306 D CA 0.335 54.377 54.000 0.070 0.000 1.452 306 D CB -0.676 40.173 40.800 0.082 0.000 1.052 306 D HN 0.055 nan 8.370 nan 0.000 0.221 307 F N 1.182 121.143 119.950 0.017 0.000 2.091 307 F HA 0.134 4.663 4.527 0.004 0.000 0.299 307 F C 0.684 176.489 175.800 0.008 0.000 1.103 307 F CA 1.278 59.289 58.000 0.018 0.000 1.228 307 F CB 0.099 39.108 39.000 0.014 0.000 0.984 307 F HN 0.006 nan 8.300 nan 0.000 0.477 308 L N 0.743 122.148 121.223 0.305 0.000 2.277 308 L HA 0.178 4.521 4.340 0.005 0.000 0.284 308 L C 1.346 178.267 176.870 0.084 0.000 1.028 308 L CA -0.188 54.757 54.840 0.174 0.000 0.835 308 L CB 1.334 43.475 42.059 0.136 0.000 1.215 308 L HN 0.092 nan 8.230 nan 0.000 0.425 309 S N 0.582 116.313 115.700 0.051 0.000 2.453 309 S HA -0.003 4.469 4.470 0.005 0.000 0.231 309 S C 0.443 175.056 174.600 0.022 0.000 1.005 309 S CA 0.444 58.660 58.200 0.028 0.000 0.949 309 S CB 0.163 63.369 63.200 0.011 0.000 0.774 309 S HN 0.704 nan 8.310 nan 0.000 0.510 310 D N 0.096 120.510 120.400 0.024 0.000 2.768 310 D HA 0.297 4.940 4.640 0.005 0.000 0.327 310 D C -0.931 175.374 176.300 0.009 0.000 1.302 310 D CA 0.037 54.045 54.000 0.013 0.000 0.897 310 D CB 1.234 42.039 40.800 0.010 0.000 1.420 310 D HN 0.197 nan 8.370 nan 0.000 0.494 311 T N -0.827 113.724 114.554 -0.005 0.000 2.932 311 T HA 0.249 4.601 4.350 0.005 0.000 0.312 311 T C -1.816 172.876 174.700 -0.013 0.000 1.071 311 T CA -0.654 61.434 62.100 -0.020 0.000 1.128 311 T CB 1.018 69.868 68.868 -0.030 0.000 0.984 311 T HN 0.109 nan 8.240 nan 0.000 0.549 312 P HA -0.116 nan 4.420 nan 0.000 0.216 312 P C 1.533 178.822 177.300 -0.018 0.000 1.150 312 P CA 0.997 64.080 63.100 -0.029 0.000 0.843 312 P CB 0.102 31.754 31.700 -0.081 0.000 0.787 313 E N -0.444 119.736 120.200 -0.034 0.000 2.023 313 E HA -0.237 4.115 4.350 0.005 0.000 0.196 313 E C 1.985 178.590 176.600 0.008 0.000 1.003 313 E CA 1.415 57.803 56.400 -0.020 0.000 0.809 313 E CB -0.522 29.159 29.700 -0.031 0.000 0.755 313 E HN 0.052 nan 8.360 nan 0.000 0.449 314 A N 1.259 124.083 122.820 0.006 0.000 1.873 314 A HA -0.217 4.106 4.320 0.005 0.000 0.218 314 A C 2.264 179.871 177.584 0.039 0.000 1.193 314 A CA 1.697 53.743 52.037 0.016 0.000 0.629 314 A CB -0.920 18.084 19.000 0.007 0.000 0.826 314 A HN 0.304 nan 8.150 nan 0.000 0.447 315 L N -0.238 121.016 121.223 0.052 0.000 2.131 315 L HA -0.147 4.196 4.340 0.005 0.000 0.210 315 L C 2.550 179.534 176.870 0.191 0.000 1.092 315 L CA 1.486 56.384 54.840 0.097 0.000 0.759 315 L CB -0.712 41.409 42.059 0.104 0.000 0.903 315 L HN 0.702 nan 8.230 nan 0.000 0.435 316 I N -3.274 117.395 120.570 0.165 0.000 2.617 316 I HA -0.072 4.100 4.170 0.005 0.000 0.256 316 I C 1.979 178.229 176.117 0.221 0.000 1.167 316 I CA 1.089 62.527 61.300 0.230 0.000 1.469 316 I CB -0.391 37.648 38.000 0.066 0.000 1.098 316 I HN 0.111 nan 8.210 nan 0.000 0.436 317 N N 1.327 120.099 118.700 0.120 0.000 2.331 317 N HA -0.099 4.644 4.740 0.005 0.000 0.180 317 N C 1.779 177.332 175.510 0.072 0.000 1.019 317 N CA 2.036 55.137 53.050 0.086 0.000 0.881 317 N CB -0.211 38.305 38.487 0.048 0.000 0.972 317 N HN 0.702 nan 8.380 nan 0.000 0.435 318 T N -4.175 110.413 114.554 0.057 0.000 3.043 318 T HA 0.310 4.662 4.350 0.005 0.000 0.272 318 T C 0.882 175.536 174.700 -0.077 0.000 0.990 318 T CA -0.370 61.730 62.100 -0.001 0.000 0.897 318 T CB 0.137 69.000 68.868 -0.008 0.000 1.111 318 T HN 0.028 nan 8.240 nan 0.000 0.529 319 G N 1.019 109.752 108.800 -0.111 0.000 2.503 319 G HA2 0.427 4.390 3.960 0.005 0.000 0.257 319 G HA3 0.427 4.390 3.960 0.005 0.000 0.257 319 G C -1.083 173.316 174.900 -0.836 0.000 1.214 319 G CA -0.452 44.342 45.100 -0.511 0.000 0.839 319 G HN 0.380 nan 8.290 nan 0.000 0.559 320 D N 0.033 119.948 120.400 -0.808 0.000 2.317 320 D HA 0.405 5.048 4.640 0.005 0.000 0.234 320 D C -0.523 175.331 176.300 -0.744 0.000 1.112 320 D CA -0.514 53.142 54.000 -0.573 0.000 0.840 320 D CB 0.461 41.093 40.800 -0.280 0.000 1.078 320 D HN 0.108 nan 8.370 nan 0.000 0.486 321 F N 2.974 122.933 119.950 0.014 0.000 2.831 321 F HA 0.248 4.778 4.527 0.004 0.000 0.355 321 F C 1.586 177.397 175.800 0.018 0.000 1.341 321 F CA -0.588 57.423 58.000 0.019 0.000 1.201 321 F CB 0.403 39.424 39.000 0.035 0.000 1.058 321 F HN 0.332 nan 8.300 nan 0.000 0.514 322 Q N 0.903 120.749 119.800 0.077 0.000 2.029 322 Q HA -0.216 4.127 4.340 0.005 0.000 0.209 322 Q C 1.091 177.133 176.000 0.069 0.000 0.999 322 Q CA 2.023 57.857 55.803 0.053 0.000 0.857 322 Q CB -0.123 28.619 28.738 0.007 0.000 0.926 322 Q HN 0.256 nan 8.270 nan 0.000 0.415 323 D N -0.978 119.461 120.400 0.065 0.000 2.370 323 D HA 0.137 4.780 4.640 0.005 0.000 0.230 323 D C -1.063 175.278 176.300 0.068 0.000 1.143 323 D CA -0.011 54.019 54.000 0.049 0.000 0.834 323 D CB 0.139 40.950 40.800 0.018 0.000 0.944 323 D HN 0.047 nan 8.370 nan 0.000 0.504 324 L N 1.108 122.399 121.223 0.114 0.000 2.305 324 L HA 0.376 4.718 4.340 0.005 0.000 0.284 324 L C -0.779 176.176 176.870 0.141 0.000 1.013 324 L CA -0.467 54.452 54.840 0.132 0.000 0.819 324 L CB 1.527 43.693 42.059 0.178 0.000 1.227 324 L HN -0.195 nan 8.230 nan 0.000 0.417 325 Q N 3.351 123.250 119.800 0.164 0.000 2.307 325 Q HA 0.743 5.086 4.340 0.005 0.000 0.262 325 Q C -1.310 174.969 176.000 0.465 0.000 0.961 325 Q CA -0.363 55.602 55.803 0.271 0.000 0.882 325 Q CB 2.552 31.387 28.738 0.161 0.000 1.264 325 Q HN 0.435 nan 8.270 nan 0.000 0.446 326 V N 3.084 123.241 119.914 0.406 0.000 2.668 326 V HA 0.426 4.549 4.120 0.005 0.000 0.304 326 V C -1.551 174.502 176.094 -0.069 0.000 1.071 326 V CA -0.824 61.590 62.300 0.191 0.000 0.894 326 V CB 2.013 33.876 31.823 0.067 0.000 1.008 326 V HN 0.596 nan 8.190 nan 0.000 0.425 327 L N 7.655 128.611 121.223 -0.445 0.000 2.322 327 L HA 0.933 5.276 4.340 0.005 0.000 0.281 327 L C -0.570 176.187 176.870 -0.187 0.000 1.014 327 L CA -0.219 54.306 54.840 -0.526 0.000 0.815 327 L CB 1.766 43.070 42.059 -1.259 0.000 1.247 327 L HN 0.568 nan 8.230 nan 0.000 0.421 328 V N 2.086 121.965 119.914 -0.059 0.000 2.841 328 V HA 1.112 5.235 4.120 0.005 0.000 0.310 328 V C -0.195 175.702 176.094 -0.330 0.000 1.090 328 V CA 0.238 62.482 62.300 -0.094 0.000 0.930 328 V CB 0.998 32.734 31.823 -0.144 0.000 1.014 328 V HN 1.097 nan 8.190 nan 0.000 0.425 329 G N 1.322 109.753 108.800 -0.615 0.000 2.554 329 G HA2 0.868 4.831 3.960 0.005 0.000 0.306 329 G HA3 0.868 4.831 3.960 0.005 0.000 0.306 329 G C -1.127 173.440 174.900 -0.556 0.000 1.320 329 G CA -0.007 44.356 45.100 -1.228 0.000 0.800 329 G HN 2.075 nan 8.290 nan 0.000 0.481 330 V N -2.407 117.305 119.914 -0.336 0.000 3.188 330 V HA 0.892 5.015 4.120 0.005 0.000 0.305 330 V C 0.249 176.507 176.094 0.274 0.000 1.232 330 V CA -0.422 61.906 62.300 0.046 0.000 1.043 330 V CB 1.046 32.880 31.823 0.018 0.000 1.068 330 V HN 1.775 nan 8.190 nan 0.000 0.439 331 V N -0.164 119.942 119.914 0.321 0.000 3.134 331 V HA 0.566 4.688 4.120 0.005 0.000 0.313 331 V C 1.410 177.693 176.094 0.315 0.000 1.069 331 V CA 0.178 62.725 62.300 0.412 0.000 1.048 331 V CB 1.126 33.188 31.823 0.400 0.000 1.119 331 V HN 1.083 nan 8.190 nan 0.000 0.461 332 K N -0.226 120.358 120.400 0.307 0.000 2.148 332 K HA -0.031 4.291 4.320 0.005 0.000 0.204 332 K C 0.381 177.105 176.600 0.208 0.000 1.050 332 K CA 1.742 58.163 56.287 0.224 0.000 0.942 332 K CB 0.068 32.677 32.500 0.181 0.000 0.724 332 K HN 0.916 nan 8.250 nan 0.000 0.446 333 D N 1.071 121.606 120.400 0.225 0.000 2.502 333 D HA 0.027 4.670 4.640 0.005 0.000 0.301 333 D C -0.031 176.419 176.300 0.250 0.000 1.202 333 D CA -0.084 54.042 54.000 0.209 0.000 0.878 333 D CB 1.349 42.249 40.800 0.167 0.000 1.062 333 D HN 0.131 nan 8.370 nan 0.000 0.499 334 E N 0.619 120.980 120.200 0.269 0.000 2.160 334 E HA -0.114 4.239 4.350 0.005 0.000 0.195 334 E C 1.952 178.794 176.600 0.403 0.000 0.991 334 E CA 0.664 57.272 56.400 0.346 0.000 0.810 334 E CB 0.172 30.029 29.700 0.262 0.000 0.742 334 E HN 0.459 nan 8.360 nan 0.000 0.466 335 G N 0.969 109.952 108.800 0.305 0.000 2.603 335 G HA2 -0.153 3.810 3.960 0.005 0.000 0.214 335 G HA3 -0.153 3.810 3.960 0.005 0.000 0.214 335 G C 1.732 176.845 174.900 0.355 0.000 1.140 335 G CA 0.756 46.061 45.100 0.342 0.000 0.800 335 G HN 0.363 nan 8.290 nan 0.000 0.533 336 S N -0.002 115.837 115.700 0.232 0.000 2.356 336 S HA -0.213 4.260 4.470 0.005 0.000 0.223 336 S C 2.083 176.680 174.600 -0.005 0.000 1.032 336 S CA 1.221 59.502 58.200 0.135 0.000 1.005 336 S CB -0.886 62.316 63.200 0.002 0.000 0.867 336 S HN 0.407 nan 8.310 nan 0.000 0.449 337 Y N 1.584 121.684 120.300 -0.333 0.000 2.132 337 Y HA -0.259 4.293 4.550 0.004 0.000 0.280 337 Y C 1.838 177.467 175.900 -0.452 0.000 1.193 337 Y CA 2.201 59.902 58.100 -0.665 0.000 1.157 337 Y CB -0.415 37.406 38.460 -1.066 0.000 0.966 337 Y HN 0.318 nan 8.280 nan 0.000 0.511 338 F N -1.242 118.842 119.950 0.224 0.000 2.512 338 F HA -0.094 4.436 4.527 0.004 0.000 0.296 338 F C 1.945 177.840 175.800 0.158 0.000 1.110 338 F CA 0.485 58.599 58.000 0.190 0.000 1.446 338 F CB -0.455 38.580 39.000 0.058 0.000 1.092 338 F HN -0.034 nan 8.300 nan 0.000 0.554 339 L N 0.216 121.544 121.223 0.175 0.000 2.079 339 L HA -0.179 4.164 4.340 0.005 0.000 0.210 339 L C 2.472 179.405 176.870 0.104 0.000 1.081 339 L CA 1.349 56.131 54.840 -0.096 0.000 0.752 339 L CB -0.994 40.760 42.059 -0.509 0.000 0.896 339 L HN 0.209 nan 8.230 nan 0.000 0.433 340 V N -4.843 115.210 119.914 0.230 0.000 3.217 340 V HA -0.174 3.949 4.120 0.005 0.000 0.264 340 V C 2.016 178.132 176.094 0.036 0.000 1.135 340 V CA 0.812 63.243 62.300 0.219 0.000 1.142 340 V CB -0.959 31.000 31.823 0.225 0.000 0.754 340 V HN 0.244 nan 8.190 nan 0.000 0.484 341 Y N 2.419 122.810 120.300 0.152 0.000 2.201 341 Y HA 0.414 4.967 4.550 0.004 0.000 0.292 341 Y C 2.537 178.475 175.900 0.063 0.000 1.119 341 Y CA 1.775 59.937 58.100 0.103 0.000 1.127 341 Y CB -0.326 38.191 38.460 0.094 0.000 1.019 341 Y HN 0.371 nan 8.280 nan 0.000 0.514 342 G N -1.150 107.773 108.800 0.204 0.000 3.829 342 G HA2 0.321 4.284 3.960 0.005 0.000 0.279 342 G HA3 0.321 4.284 3.960 0.005 0.000 0.279 342 G C -0.964 174.003 174.900 0.113 0.000 1.008 342 G CA -0.024 45.150 45.100 0.122 0.000 0.840 342 G HN -0.010 nan 8.290 nan 0.000 0.474 343 V N 2.409 122.407 119.914 0.141 0.000 2.333 343 V HA 0.317 4.439 4.120 0.005 0.000 0.274 343 V C -2.161 174.113 176.094 0.301 0.000 1.028 343 V CA -1.949 60.462 62.300 0.184 0.000 0.851 343 V CB 1.651 33.535 31.823 0.102 0.000 1.000 343 V HN 0.007 nan 8.190 nan 0.000 0.456 344 P HA 0.253 nan 4.420 nan 0.000 0.264 344 P C 1.023 178.410 177.300 0.144 0.000 1.193 344 P CA 1.262 64.451 63.100 0.147 0.000 0.763 344 P CB 0.690 32.444 31.700 0.089 0.000 0.810 345 G N 1.539 110.365 108.800 0.042 0.000 2.259 345 G HA2 -0.205 3.758 3.960 0.005 0.000 0.217 345 G HA3 -0.205 3.758 3.960 0.005 0.000 0.217 345 G C -0.181 174.539 174.900 -0.299 0.000 1.001 345 G CA -0.607 44.398 45.100 -0.158 0.000 0.627 345 G HN 0.400 nan 8.290 nan 0.000 0.501 346 F N 1.804 121.749 119.950 -0.009 0.000 2.404 346 F HA 0.776 5.305 4.527 0.004 0.000 0.339 346 F C 0.657 176.512 175.800 0.092 0.000 1.105 346 F CA 0.020 58.022 58.000 0.004 0.000 1.087 346 F CB 2.155 41.202 39.000 0.080 0.000 1.143 346 F HN 0.156 nan 8.300 nan 0.000 0.491 347 S N 1.682 117.567 115.700 0.308 0.000 2.556 347 S HA 0.301 4.774 4.470 0.005 0.000 0.271 347 S C 0.364 175.228 174.600 0.441 0.000 1.135 347 S CA -0.873 57.510 58.200 0.305 0.000 0.858 347 S CB 1.456 64.747 63.200 0.152 0.000 1.114 347 S HN 0.761 nan 8.310 nan 0.000 0.468 348 K N 1.187 121.741 120.400 0.258 0.000 2.296 348 K HA 0.101 4.424 4.320 0.005 0.000 0.200 348 K C 0.114 176.732 176.600 0.029 0.000 1.048 348 K CA 1.193 57.546 56.287 0.110 0.000 0.966 348 K CB -0.101 32.220 32.500 -0.299 0.000 0.754 348 K HN 0.458 nan 8.250 nan 0.000 0.466 349 D N 0.853 121.265 120.400 0.020 0.000 2.350 349 D HA 0.001 4.644 4.640 0.005 0.000 0.213 349 D C -0.149 176.173 176.300 0.036 0.000 1.031 349 D CA 0.333 54.319 54.000 -0.023 0.000 0.861 349 D CB 0.103 40.872 40.800 -0.052 0.000 0.926 349 D HN 0.478 nan 8.370 nan 0.000 0.520 350 N N -0.831 117.925 118.700 0.094 0.000 2.831 350 N HA 0.084 4.827 4.740 0.005 0.000 0.276 350 N C 0.451 176.012 175.510 0.084 0.000 1.416 350 N CA -0.490 52.594 53.050 0.056 0.000 0.799 350 N CB 0.944 39.423 38.487 -0.013 0.000 1.554 350 N HN -0.449 nan 8.380 nan 0.000 0.541 351 E N -0.369 119.810 120.200 -0.035 0.000 2.472 351 E HA -0.008 4.345 4.350 0.005 0.000 0.200 351 E C -0.333 175.916 176.600 -0.585 0.000 1.046 351 E CA 0.523 56.826 56.400 -0.161 0.000 0.871 351 E CB -0.716 28.923 29.700 -0.102 0.000 0.806 351 E HN 0.607 nan 8.360 nan 0.000 0.533 352 S N -0.063 115.321 115.700 -0.528 0.000 3.614 352 S HA -0.206 4.267 4.470 0.005 0.000 0.360 352 S C 0.305 174.471 174.600 -0.722 0.000 1.023 352 S CA 0.174 57.929 58.200 -0.741 0.000 1.114 352 S CB -1.912 60.631 63.200 -1.095 0.000 0.907 352 S HN 0.288 nan 8.310 nan 0.000 0.470 353 L N 1.772 122.722 121.223 -0.455 0.000 2.515 353 L HA 0.339 4.682 4.340 0.005 0.000 0.281 353 L C 0.829 177.498 176.870 -0.336 0.000 1.131 353 L CA -0.129 54.506 54.840 -0.342 0.000 0.905 353 L CB -0.165 41.764 42.059 -0.216 0.000 1.246 353 L HN 0.448 nan 8.230 nan 0.000 0.463 354 I N 0.243 120.590 120.570 -0.371 0.000 2.918 354 I HA 0.620 4.793 4.170 0.005 0.000 0.316 354 I C 0.683 176.707 176.117 -0.154 0.000 1.001 354 I CA -0.527 60.587 61.300 -0.309 0.000 1.142 354 I CB 1.580 39.344 38.000 -0.394 0.000 1.356 354 I HN 0.508 nan 8.210 nan 0.000 0.524 355 S N 1.754 117.401 115.700 -0.089 0.000 2.713 355 S HA 0.410 4.882 4.470 0.005 0.000 0.283 355 S C 0.895 175.513 174.600 0.029 0.000 1.161 355 S CA -0.576 57.603 58.200 -0.034 0.000 0.999 355 S CB 1.585 64.773 63.200 -0.021 0.000 1.039 355 S HN 0.851 nan 8.310 nan 0.000 0.548 356 R N 0.388 120.910 120.500 0.037 0.000 2.105 356 R HA -0.079 4.264 4.340 0.005 0.000 0.239 356 R C 2.226 178.626 176.300 0.166 0.000 1.135 356 R CA 1.735 57.897 56.100 0.102 0.000 0.967 356 R CB -1.113 29.223 30.300 0.059 0.000 0.861 356 R HN 0.815 nan 8.270 nan 0.000 0.442 357 A N 0.488 123.367 122.820 0.097 0.000 1.873 357 A HA -0.182 4.140 4.320 0.005 0.000 0.215 357 A C 2.025 179.664 177.584 0.092 0.000 1.186 357 A CA 1.483 53.570 52.037 0.083 0.000 0.616 357 A CB -0.473 18.556 19.000 0.050 0.000 0.823 357 A HN 0.533 nan 8.150 nan 0.000 0.442 358 Q N -1.758 118.094 119.800 0.087 0.000 2.226 358 Q HA -0.126 4.217 4.340 0.005 0.000 0.204 358 Q C 1.818 177.930 176.000 0.187 0.000 0.975 358 Q CA 1.370 57.233 55.803 0.099 0.000 0.866 358 Q CB -0.311 28.450 28.738 0.038 0.000 0.915 358 Q HN 0.798 nan 8.270 nan 0.000 0.440 359 F N 1.245 121.224 119.950 0.049 0.000 2.084 359 F HA -0.185 4.345 4.527 0.004 0.000 0.296 359 F C 1.802 177.641 175.800 0.064 0.000 1.111 359 F CA 1.079 59.120 58.000 0.069 0.000 1.224 359 F CB 0.048 39.069 39.000 0.036 0.000 0.991 359 F HN -0.057 nan 8.300 nan 0.000 0.471 360 L N 0.177 121.378 121.223 -0.036 0.000 2.083 360 L HA -0.217 4.126 4.340 0.005 0.000 0.209 360 L C 2.812 179.620 176.870 -0.103 0.000 1.083 360 L CA 1.089 55.850 54.840 -0.132 0.000 0.752 360 L CB -1.398 40.669 42.059 0.012 0.000 0.899 360 L HN 0.283 nan 8.230 nan 0.000 0.433 361 A N 0.684 123.489 122.820 -0.025 0.000 1.873 361 A HA -0.099 4.224 4.320 0.005 0.000 0.215 361 A C 2.461 180.036 177.584 -0.015 0.000 1.186 361 A CA 1.653 53.689 52.037 -0.003 0.000 0.616 361 A CB -1.325 17.696 19.000 0.035 0.000 0.823 361 A HN 0.415 nan 8.150 nan 0.000 0.442 362 G N -0.447 108.357 108.800 0.005 0.000 2.469 362 G HA2 -0.194 3.769 3.960 0.005 0.000 0.219 362 G HA3 -0.194 3.769 3.960 0.005 0.000 0.219 362 G C 1.513 176.358 174.900 -0.091 0.000 1.150 362 G CA 1.402 46.508 45.100 0.009 0.000 0.763 362 G HN 0.339 nan 8.290 nan 0.000 0.561 363 V N 0.823 120.603 119.914 -0.223 0.000 2.343 363 V HA -0.140 3.982 4.120 0.005 0.000 0.247 363 V C 3.007 179.036 176.094 -0.108 0.000 1.051 363 V CA 1.757 63.919 62.300 -0.229 0.000 1.036 363 V CB -0.404 31.191 31.823 -0.380 0.000 0.654 363 V HN 0.207 nan 8.190 nan 0.000 0.451 364 R N 0.057 120.508 120.500 -0.082 0.000 2.105 364 R HA -0.051 4.292 4.340 0.005 0.000 0.239 364 R C 2.042 178.329 176.300 -0.022 0.000 1.135 364 R CA 1.555 57.632 56.100 -0.038 0.000 0.967 364 R CB -0.935 29.352 30.300 -0.022 0.000 0.861 364 R HN 0.493 nan 8.270 nan 0.000 0.442 365 I N -0.735 119.824 120.570 -0.018 0.000 2.406 365 I HA -0.065 4.108 4.170 0.005 0.000 0.249 365 I C 2.174 178.286 176.117 -0.007 0.000 1.122 365 I CA 1.364 62.662 61.300 -0.003 0.000 1.431 365 I CB -0.447 37.560 38.000 0.013 0.000 1.087 365 I HN 0.194 nan 8.210 nan 0.000 0.424 366 G N 0.352 109.140 108.800 -0.021 0.000 2.551 366 G HA2 0.035 3.998 3.960 0.005 0.000 0.216 366 G HA3 0.035 3.998 3.960 0.005 0.000 0.216 366 G C 0.820 175.718 174.900 -0.003 0.000 1.137 366 G CA 0.264 45.353 45.100 -0.018 0.000 0.798 366 G HN 0.231 nan 8.290 nan 0.000 0.536 367 V N 2.057 121.956 119.914 -0.024 0.000 2.454 367 V HA 0.219 4.342 4.120 0.005 0.000 0.255 367 V C -1.473 174.618 176.094 -0.004 0.000 1.009 367 V CA -1.081 61.192 62.300 -0.045 0.000 1.149 367 V CB 1.404 33.176 31.823 -0.084 0.000 1.418 367 V HN 0.069 nan 8.190 nan 0.000 0.567 368 P HA -0.112 nan 4.420 nan 0.000 0.225 368 P C 0.963 178.269 177.300 0.009 0.000 1.148 368 P CA 0.918 64.022 63.100 0.007 0.000 0.779 368 P CB 0.544 32.246 31.700 0.003 0.000 0.780 369 Q N -0.490 119.324 119.800 0.023 0.000 2.320 369 Q HA 0.288 4.631 4.340 0.005 0.000 0.201 369 Q C 0.604 176.607 176.000 0.005 0.000 0.910 369 Q CA -0.110 55.703 55.803 0.017 0.000 0.946 369 Q CB -0.226 28.532 28.738 0.035 0.000 1.062 369 Q HN 0.161 nan 8.270 nan 0.000 0.503 370 A N 0.470 123.291 122.820 0.001 0.000 2.328 370 A HA 0.535 4.858 4.320 0.005 0.000 0.284 370 A C 0.454 178.035 177.584 -0.005 0.000 1.160 370 A CA -0.465 51.568 52.037 -0.005 0.000 0.818 370 A CB 0.391 19.390 19.000 -0.002 0.000 1.087 370 A HN 0.347 nan 8.150 nan 0.000 0.504 371 S N 1.819 117.514 115.700 -0.009 0.000 2.641 371 S HA 0.048 4.520 4.470 0.005 0.000 0.251 371 S C 0.401 175.005 174.600 0.007 0.000 1.332 371 S CA 0.594 58.792 58.200 -0.004 0.000 0.968 371 S CB 0.164 63.358 63.200 -0.011 0.000 0.987 371 S HN 0.618 nan 8.310 nan 0.000 0.587 372 D N -0.145 120.262 120.400 0.012 0.000 2.149 372 D HA 0.002 4.645 4.640 0.005 0.000 0.201 372 D C 1.759 178.081 176.300 0.036 0.000 0.972 372 D CA 0.636 54.649 54.000 0.022 0.000 0.835 372 D CB -0.471 40.342 40.800 0.022 0.000 0.966 372 D HN 0.357 nan 8.370 nan 0.000 0.476 373 L N 0.902 122.145 121.223 0.034 0.000 2.017 373 L HA -0.045 4.297 4.340 0.005 0.000 0.208 373 L C 2.115 179.029 176.870 0.074 0.000 1.073 373 L CA 1.677 56.549 54.840 0.054 0.000 0.745 373 L CB -0.946 41.138 42.059 0.042 0.000 0.894 373 L HN -0.009 nan 8.230 nan 0.000 0.432 374 A N -0.582 122.263 122.820 0.043 0.000 1.883 374 A HA -0.191 4.132 4.320 0.005 0.000 0.217 374 A C 2.439 180.076 177.584 0.088 0.000 1.186 374 A CA 2.130 54.195 52.037 0.047 0.000 0.624 374 A CB -1.234 17.756 19.000 -0.016 0.000 0.822 374 A HN 0.560 nan 8.150 nan 0.000 0.444 375 A N -0.948 121.905 122.820 0.056 0.000 1.933 375 A HA -0.139 4.184 4.320 0.005 0.000 0.218 375 A C 1.989 179.618 177.584 0.074 0.000 1.175 375 A CA 1.720 53.784 52.037 0.045 0.000 0.628 375 A CB -0.422 18.584 19.000 0.011 0.000 0.814 375 A HN 0.443 nan 8.150 nan 0.000 0.444 376 E N 0.037 120.293 120.200 0.093 0.000 2.077 376 E HA -0.157 4.196 4.350 0.005 0.000 0.193 376 E C 2.369 179.069 176.600 0.167 0.000 0.989 376 E CA 1.265 57.740 56.400 0.124 0.000 0.800 376 E CB -0.540 29.227 29.700 0.113 0.000 0.746 376 E HN 0.545 nan 8.360 nan 0.000 0.452 377 A N 0.710 123.647 122.820 0.195 0.000 1.883 377 A HA -0.162 4.161 4.320 0.005 0.000 0.217 377 A C 2.624 180.301 177.584 0.156 0.000 1.186 377 A CA 1.703 53.895 52.037 0.258 0.000 0.624 377 A CB -0.759 18.527 19.000 0.476 0.000 0.822 377 A HN 0.154 nan 8.150 nan 0.000 0.444 378 V N -0.504 119.528 119.914 0.197 0.000 2.287 378 V HA -0.239 3.884 4.120 0.005 0.000 0.248 378 V C 2.557 178.800 176.094 0.249 0.000 1.053 378 V CA 2.053 64.436 62.300 0.138 0.000 1.027 378 V CB -0.804 31.103 31.823 0.140 0.000 0.646 378 V HN 0.369 nan 8.190 nan 0.000 0.447 379 V N -0.594 119.439 119.914 0.199 0.000 2.358 379 V HA -0.198 3.925 4.120 0.005 0.000 0.246 379 V C 2.376 178.695 176.094 0.375 0.000 1.047 379 V CA 1.459 63.936 62.300 0.294 0.000 1.035 379 V CB -0.420 31.515 31.823 0.186 0.000 0.658 379 V HN 0.397 nan 8.190 nan 0.000 0.452 380 L N -0.260 121.167 121.223 0.339 0.000 2.042 380 L HA -0.237 4.106 4.340 0.005 0.000 0.210 380 L C 2.479 179.575 176.870 0.376 0.000 1.076 380 L CA 2.611 57.717 54.840 0.443 0.000 0.749 380 L CB -1.139 41.090 42.059 0.282 0.000 0.893 380 L HN 0.527 nan 8.230 nan 0.000 0.432 381 H N -1.560 117.534 119.070 0.040 0.000 2.395 381 H HA -0.152 4.406 4.556 0.003 0.000 0.299 381 H C 1.750 176.997 175.328 -0.136 0.000 1.070 381 H CA 1.694 57.631 56.048 -0.186 0.000 1.356 381 H CB 0.043 29.380 29.762 -0.708 0.000 1.401 381 H HN 0.237 nan 8.280 nan 0.000 0.524 382 Y N -0.217 120.124 120.300 0.067 0.000 2.500 382 Y HA 0.153 4.707 4.550 0.006 0.000 0.270 382 Y C 0.806 176.744 175.900 0.064 0.000 1.134 382 Y CA 0.334 58.502 58.100 0.113 0.000 1.293 382 Y CB 0.245 38.901 38.460 0.328 0.000 1.063 382 Y HN 0.018 nan 8.280 nan 0.000 0.534 383 T N 1.457 116.038 114.554 0.045 0.000 2.916 383 T HA -0.046 4.306 4.350 0.005 0.000 0.303 383 T C -0.294 174.090 174.700 -0.527 0.000 1.025 383 T CA -0.179 61.684 62.100 -0.394 0.000 1.142 383 T CB 0.231 68.470 68.868 -1.048 0.000 0.947 383 T HN 0.073 nan 8.240 nan 0.000 0.544 384 D N 2.229 122.293 120.400 -0.560 0.000 2.393 384 D HA 0.117 4.760 4.640 0.005 0.000 0.232 384 D C 0.178 176.192 176.300 -0.477 0.000 1.192 384 D CA -0.698 52.952 54.000 -0.584 0.000 0.882 384 D CB 0.236 40.446 40.800 -0.984 0.000 1.038 384 D HN 0.596 nan 8.370 nan 0.000 0.499 385 W N 3.012 124.237 121.300 -0.125 0.000 2.525 385 W HA -0.010 4.652 4.660 0.003 0.000 0.259 385 W C 1.796 178.233 176.519 -0.137 0.000 1.253 385 W CA -0.266 57.019 57.345 -0.100 0.000 1.262 385 W CB -0.123 29.290 29.460 -0.077 0.000 1.122 385 W HN 0.418 nan 8.180 nan 0.000 0.607 386 L N -1.038 120.161 121.223 -0.041 0.000 2.027 386 L HA -0.146 4.197 4.340 0.005 0.000 0.206 386 L C 0.446 177.027 176.870 -0.481 0.000 1.074 386 L CA 1.533 56.208 54.840 -0.274 0.000 0.745 386 L CB -0.684 41.160 42.059 -0.360 0.000 0.898 386 L HN -0.014 nan 8.230 nan 0.000 0.433 387 H N -2.133 116.853 119.070 -0.140 0.000 2.340 387 H HA 0.226 4.784 4.556 0.004 0.000 0.233 387 H C -1.967 173.241 175.328 -0.201 0.000 1.435 387 H CA -1.747 54.217 56.048 -0.141 0.000 1.389 387 H CB 0.021 29.700 29.762 -0.138 0.000 1.491 387 H HN 0.000 nan 8.280 nan 0.000 0.518 388 P HA -0.064 nan 4.420 nan 0.000 0.233 388 P C 0.751 177.962 177.300 -0.149 0.000 1.167 388 P CA 0.838 63.793 63.100 -0.242 0.000 0.770 388 P CB 0.665 32.215 31.700 -0.250 0.000 0.837 389 E N -0.743 119.418 120.200 -0.066 0.000 2.526 389 E HA 0.046 4.399 4.350 0.005 0.000 0.208 389 E C -0.129 176.447 176.600 -0.039 0.000 0.997 389 E CA -0.005 56.368 56.400 -0.045 0.000 0.961 389 E CB -0.057 29.632 29.700 -0.017 0.000 1.030 389 E HN 0.247 nan 8.360 nan 0.000 0.483 390 D N 2.374 122.758 120.400 -0.025 0.000 2.382 390 D HA 0.005 4.648 4.640 0.005 0.000 0.259 390 D C -1.626 174.645 176.300 -0.049 0.000 1.224 390 D CA -1.595 52.391 54.000 -0.024 0.000 0.894 390 D CB 1.347 42.137 40.800 -0.017 0.000 1.127 390 D HN -0.167 nan 8.370 nan 0.000 0.487 391 P HA -0.102 nan 4.420 nan 0.000 0.217 391 P C 1.164 178.389 177.300 -0.124 0.000 1.150 391 P CA 0.952 63.986 63.100 -0.111 0.000 0.832 391 P CB 0.205 31.834 31.700 -0.118 0.000 0.787 392 T N -1.631 112.869 114.554 -0.090 0.000 2.777 392 T HA -0.192 4.161 4.350 0.005 0.000 0.266 392 T C 1.748 176.416 174.700 -0.053 0.000 1.040 392 T CA 1.686 63.742 62.100 -0.073 0.000 1.141 392 T CB -1.013 67.828 68.868 -0.045 0.000 0.868 392 T HN 0.276 nan 8.240 nan 0.000 0.444 393 H N 0.930 119.931 119.070 -0.114 0.000 2.353 393 H HA 0.093 4.652 4.556 0.004 0.000 0.300 393 H C 1.994 177.229 175.328 -0.154 0.000 1.090 393 H CA 1.282 57.260 56.048 -0.117 0.000 1.327 393 H CB -0.513 29.161 29.762 -0.146 0.000 1.383 393 H HN 0.243 nan 8.280 nan 0.000 0.508 394 L N 0.038 121.077 121.223 -0.307 0.000 2.093 394 L HA -0.137 4.206 4.340 0.005 0.000 0.208 394 L C 2.913 179.653 176.870 -0.217 0.000 1.085 394 L CA 1.326 55.890 54.840 -0.460 0.000 0.755 394 L CB -0.451 41.409 42.059 -0.331 0.000 0.904 394 L HN 0.296 nan 8.230 nan 0.000 0.435 395 R N 0.534 120.965 120.500 -0.116 0.000 2.083 395 R HA -0.197 4.146 4.340 0.005 0.000 0.237 395 R C 1.603 177.979 176.300 0.126 0.000 1.137 395 R CA 2.189 58.314 56.100 0.041 0.000 0.951 395 R CB -0.375 29.837 30.300 -0.146 0.000 0.851 395 R HN 0.331 nan 8.270 nan 0.000 0.434 396 D N 0.158 120.559 120.400 0.001 0.000 2.224 396 D HA -0.046 4.596 4.640 0.005 0.000 0.205 396 D C 1.636 177.952 176.300 0.027 0.000 0.965 396 D CA 1.220 55.254 54.000 0.057 0.000 0.852 396 D CB -0.075 40.748 40.800 0.038 0.000 0.947 396 D HN 0.382 nan 8.370 nan 0.000 0.494 397 A N 0.476 123.206 122.820 -0.151 0.000 1.929 397 A HA -0.095 4.228 4.320 0.005 0.000 0.216 397 A C 2.097 179.803 177.584 0.204 0.000 1.176 397 A CA 1.036 53.067 52.037 -0.010 0.000 0.628 397 A CB -0.357 18.461 19.000 -0.304 0.000 0.816 397 A HN 0.121 nan 8.150 nan 0.000 0.444 398 M N -0.108 119.658 119.600 0.277 0.000 2.117 398 M HA -0.082 4.401 4.480 0.005 0.000 0.262 398 M C 2.275 178.638 176.300 0.104 0.000 1.065 398 M CA 2.045 57.516 55.300 0.285 0.000 1.114 398 M CB -0.567 32.264 32.600 0.386 0.000 1.361 398 M HN 0.379 nan 8.290 nan 0.000 0.408 399 S N -0.391 115.392 115.700 0.139 0.000 2.368 399 S HA -0.087 4.386 4.470 0.005 0.000 0.225 399 S C 2.027 176.709 174.600 0.136 0.000 1.030 399 S CA 1.502 59.794 58.200 0.152 0.000 0.999 399 S CB -0.543 62.803 63.200 0.244 0.000 0.844 399 S HN 0.625 nan 8.310 nan 0.000 0.459 400 A N 0.686 123.604 122.820 0.164 0.000 1.930 400 A HA 0.031 4.354 4.320 0.005 0.000 0.217 400 A C 2.328 179.988 177.584 0.126 0.000 1.175 400 A CA 1.608 53.781 52.037 0.227 0.000 0.627 400 A CB -0.961 18.279 19.000 0.399 0.000 0.815 400 A HN 0.446 nan 8.150 nan 0.000 0.443 401 V N -0.458 119.386 119.914 -0.116 0.000 2.295 401 V HA -0.238 3.885 4.120 0.005 0.000 0.246 401 V C 2.578 178.569 176.094 -0.172 0.000 1.049 401 V CA 2.112 64.229 62.300 -0.305 0.000 1.024 401 V CB -0.704 30.922 31.823 -0.328 0.000 0.648 401 V HN 0.378 nan 8.190 nan 0.000 0.447 402 V N 0.601 120.452 119.914 -0.104 0.000 2.307 402 V HA -0.132 3.991 4.120 0.005 0.000 0.245 402 V C 2.617 178.577 176.094 -0.224 0.000 1.045 402 V CA 2.136 64.356 62.300 -0.133 0.000 1.024 402 V CB -1.318 30.495 31.823 -0.017 0.000 0.651 402 V HN 0.606 nan 8.190 nan 0.000 0.449 403 G N -0.272 108.483 108.800 -0.075 0.000 2.421 403 G HA2 -0.256 3.707 3.960 0.005 0.000 0.216 403 G HA3 -0.256 3.707 3.960 0.005 0.000 0.216 403 G C 1.242 176.052 174.900 -0.150 0.000 1.171 403 G CA 1.106 46.171 45.100 -0.057 0.000 0.775 403 G HN 0.498 nan 8.290 nan 0.000 0.543 404 D N -0.314 120.016 120.400 -0.117 0.000 2.117 404 D HA -0.086 4.557 4.640 0.005 0.000 0.197 404 D C 2.108 178.086 176.300 -0.538 0.000 0.987 404 D CA 1.268 55.166 54.000 -0.170 0.000 0.829 404 D CB -0.437 40.424 40.800 0.102 0.000 0.961 404 D HN 0.426 nan 8.370 nan 0.000 0.460 405 H N 0.639 119.123 119.070 -0.976 0.000 2.389 405 H HA 0.057 4.615 4.556 0.004 0.000 0.299 405 H C 1.386 176.319 175.328 -0.658 0.000 1.081 405 H CA 1.489 56.797 56.048 -1.234 0.000 1.345 405 H CB 0.121 29.073 29.762 -1.350 0.000 1.393 405 H HN -0.005 nan 8.280 nan 0.000 0.520 406 N N -0.890 117.352 118.700 -0.763 0.000 2.388 406 N HA 0.033 4.775 4.740 0.005 0.000 0.176 406 N C 1.014 176.334 175.510 -0.317 0.000 1.062 406 N CA 0.951 53.540 53.050 -0.769 0.000 0.895 406 N CB 1.328 38.734 38.487 -1.800 0.000 1.018 406 N HN 0.262 nan 8.380 nan 0.000 0.456 407 V N -0.522 119.225 119.914 -0.279 0.000 3.442 407 V HA 0.065 4.188 4.120 0.005 0.000 0.205 407 V C 2.119 178.176 176.094 -0.062 0.000 1.320 407 V CA 0.161 62.429 62.300 -0.053 0.000 1.306 407 V CB -0.088 31.767 31.823 0.053 0.000 1.267 407 V HN -0.193 nan 8.190 nan 0.000 0.538 408 V N 0.132 120.005 119.914 -0.068 0.000 2.295 408 V HA -0.288 3.834 4.120 0.005 0.000 0.246 408 V C 2.489 178.550 176.094 -0.055 0.000 1.049 408 V CA 2.606 64.879 62.300 -0.045 0.000 1.024 408 V CB -0.732 31.092 31.823 0.002 0.000 0.648 408 V HN 0.676 nan 8.190 nan 0.000 0.447 409 c N -0.551 118.008 118.600 -0.069 0.000 2.486 409 c HA 0.022 4.594 4.570 0.005 0.000 0.279 409 c C 0.593 174.657 174.090 -0.043 0.000 1.302 409 c CA 0.827 57.148 56.329 -0.013 0.000 1.720 409 c CB -1.780 40.759 42.510 0.048 0.000 2.030 409 c HN 0.451 nan 8.230 nan 0.000 0.490 410 P HA -0.097 nan 4.420 nan 0.000 0.216 410 P C 1.729 178.970 177.300 -0.099 0.000 1.153 410 P CA 1.463 64.494 63.100 -0.114 0.000 0.858 410 P CB -0.149 31.452 31.700 -0.165 0.000 0.789 411 V N -0.050 119.807 119.914 -0.095 0.000 2.343 411 V HA -0.255 3.868 4.120 0.005 0.000 0.247 411 V C 2.447 178.450 176.094 -0.152 0.000 1.051 411 V CA 2.230 64.457 62.300 -0.121 0.000 1.036 411 V CB -1.696 30.050 31.823 -0.127 0.000 0.654 411 V HN 0.104 nan 8.190 nan 0.000 0.451 412 A N -0.283 122.465 122.820 -0.121 0.000 1.883 412 A HA -0.341 3.981 4.320 0.005 0.000 0.217 412 A C 2.206 179.765 177.584 -0.041 0.000 1.186 412 A CA 2.382 54.360 52.037 -0.097 0.000 0.624 412 A CB -0.634 18.361 19.000 -0.009 0.000 0.822 412 A HN 0.593 nan 8.150 nan 0.000 0.444 413 Q N -0.651 119.139 119.800 -0.017 0.000 2.045 413 Q HA -0.198 4.145 4.340 0.005 0.000 0.206 413 Q C 1.892 177.878 176.000 -0.024 0.000 0.991 413 Q CA 2.090 57.893 55.803 0.001 0.000 0.851 413 Q CB -0.489 28.244 28.738 -0.008 0.000 0.911 413 Q HN 0.515 nan 8.270 nan 0.000 0.418 414 L N 0.247 121.427 121.223 -0.071 0.000 1.989 414 L HA -0.110 4.233 4.340 0.005 0.000 0.211 414 L C 2.248 179.061 176.870 -0.095 0.000 1.071 414 L CA 2.403 57.188 54.840 -0.093 0.000 0.749 414 L CB -1.164 40.822 42.059 -0.122 0.000 0.890 414 L HN 0.333 nan 8.230 nan 0.000 0.431 415 A N -0.543 122.186 122.820 -0.151 0.000 1.883 415 A HA -0.147 4.175 4.320 0.005 0.000 0.217 415 A C 2.355 179.963 177.584 0.041 0.000 1.186 415 A CA 1.885 53.797 52.037 -0.207 0.000 0.624 415 A CB -1.726 16.895 19.000 -0.631 0.000 0.822 415 A HN 0.562 nan 8.150 nan 0.000 0.444 416 G N -0.628 108.256 108.800 0.139 0.000 2.459 416 G HA2 -0.250 3.713 3.960 0.005 0.000 0.217 416 G HA3 -0.250 3.713 3.960 0.005 0.000 0.217 416 G C 1.671 176.663 174.900 0.153 0.000 1.183 416 G CA 0.963 46.216 45.100 0.255 0.000 0.776 416 G HN 0.419 nan 8.290 nan 0.000 0.552 417 R N -0.274 120.284 120.500 0.096 0.000 2.075 417 R HA 0.090 4.433 4.340 0.005 0.000 0.232 417 R C 2.536 178.914 176.300 0.130 0.000 1.126 417 R CA 0.399 56.561 56.100 0.102 0.000 0.963 417 R CB -1.273 29.077 30.300 0.084 0.000 0.858 417 R HN 0.329 nan 8.270 nan 0.000 0.435 418 L N 0.772 122.031 121.223 0.061 0.000 2.017 418 L HA -0.071 4.272 4.340 0.005 0.000 0.208 418 L C 2.415 179.360 176.870 0.125 0.000 1.073 418 L CA 1.976 56.837 54.840 0.035 0.000 0.745 418 L CB -1.131 40.853 42.059 -0.126 0.000 0.894 418 L HN 0.161 nan 8.230 nan 0.000 0.432 419 A N -0.830 122.068 122.820 0.130 0.000 1.877 419 A HA -0.141 4.182 4.320 0.005 0.000 0.216 419 A C 2.379 180.031 177.584 0.114 0.000 1.186 419 A CA 1.695 53.815 52.037 0.138 0.000 0.620 419 A CB -1.012 18.112 19.000 0.207 0.000 0.822 419 A HN 0.393 nan 8.150 nan 0.000 0.443 420 A N -1.456 121.434 122.820 0.116 0.000 2.178 420 A HA -0.083 4.240 4.320 0.005 0.000 0.218 420 A C 1.609 179.250 177.584 0.094 0.000 1.157 420 A CA 1.505 53.596 52.037 0.090 0.000 0.689 420 A CB -0.302 18.749 19.000 0.086 0.000 0.787 420 A HN 0.646 nan 8.150 nan 0.000 0.465 421 Q N -2.164 117.718 119.800 0.137 0.000 2.129 421 Q HA 0.398 4.741 4.340 0.005 0.000 0.274 421 Q C 0.708 176.797 176.000 0.149 0.000 0.854 421 Q CA 0.317 56.203 55.803 0.139 0.000 1.123 421 Q CB 0.799 29.650 28.738 0.188 0.000 1.226 421 Q HN 0.717 nan 8.270 nan 0.000 0.454 422 G N -0.045 108.828 108.800 0.121 0.000 2.218 422 G HA2 -0.236 3.727 3.960 0.005 0.000 0.216 422 G HA3 -0.236 3.727 3.960 0.005 0.000 0.216 422 G C 0.287 175.257 174.900 0.118 0.000 0.994 422 G CA -0.234 44.927 45.100 0.101 0.000 0.637 422 G HN 0.512 nan 8.290 nan 0.000 0.505 423 A N 0.166 123.076 122.820 0.151 0.000 2.340 423 A HA 0.759 5.082 4.320 0.005 0.000 0.268 423 A C 0.549 178.179 177.584 0.076 0.000 1.100 423 A CA 0.262 52.377 52.037 0.129 0.000 0.803 423 A CB 0.397 19.466 19.000 0.115 0.000 1.043 423 A HN 0.655 nan 8.150 nan 0.000 0.488 424 R N 1.586 122.128 120.500 0.071 0.000 2.248 424 R HA 0.465 4.808 4.340 0.005 0.000 0.328 424 R C -1.377 174.930 176.300 0.012 0.000 1.067 424 R CA 0.027 56.137 56.100 0.016 0.000 0.924 424 R CB 0.334 30.673 30.300 0.065 0.000 1.013 424 R HN 0.454 nan 8.270 nan 0.000 0.454 425 V N 6.170 126.025 119.914 -0.098 0.000 2.444 425 V HA 0.340 4.463 4.120 0.005 0.000 0.294 425 V C -1.028 174.948 176.094 -0.196 0.000 1.022 425 V CA -0.800 61.469 62.300 -0.051 0.000 0.850 425 V CB 1.250 33.100 31.823 0.046 0.000 0.992 425 V HN 0.646 nan 8.190 nan 0.000 0.426 426 Y N 2.469 122.737 120.300 -0.054 0.000 2.387 426 Y HA 0.787 5.340 4.550 0.003 0.000 0.336 426 Y C 0.427 176.417 175.900 0.151 0.000 1.067 426 Y CA -0.543 57.516 58.100 -0.068 0.000 1.114 426 Y CB 2.076 40.118 38.460 -0.697 0.000 1.208 426 Y HN 0.729 nan 8.280 nan 0.000 0.458 427 A N 3.350 126.587 122.820 0.695 0.000 2.393 427 A HA 0.800 5.123 4.320 0.005 0.000 0.306 427 A C -1.836 176.139 177.584 0.650 0.000 1.050 427 A CA -0.682 51.625 52.037 0.450 0.000 0.724 427 A CB 0.756 19.877 19.000 0.203 0.000 1.248 427 A HN 0.747 nan 8.150 nan 0.000 0.424 428 Y N 0.017 120.541 120.300 0.374 0.000 2.581 428 Y HA 0.806 5.358 4.550 0.002 0.000 0.345 428 Y C -1.136 174.903 175.900 0.233 0.000 1.036 428 Y CA -1.661 56.596 58.100 0.262 0.000 1.042 428 Y CB 1.448 40.063 38.460 0.258 0.000 1.289 428 Y HN 0.686 nan 8.280 nan 0.000 0.471 429 I N 3.697 124.539 120.570 0.453 0.000 2.447 429 I HA 0.440 4.613 4.170 0.005 0.000 0.287 429 I C -1.832 174.607 176.117 0.536 0.000 1.023 429 I CA -0.997 60.533 61.300 0.383 0.000 1.083 429 I CB 0.998 39.150 38.000 0.254 0.000 1.245 429 I HN 0.758 nan 8.210 nan 0.000 0.434 430 F N 7.416 127.656 119.950 0.483 0.000 2.411 430 F HA 0.394 4.924 4.527 0.005 0.000 0.350 430 F C 0.587 176.550 175.800 0.272 0.000 1.114 430 F CA 0.191 58.426 58.000 0.392 0.000 1.135 430 F CB 0.926 40.184 39.000 0.430 0.000 1.120 430 F HN 0.552 nan 8.300 nan 0.000 0.495 431 E N 3.054 123.089 120.200 -0.275 0.000 2.676 431 E HA -0.024 4.329 4.350 0.005 0.000 0.222 431 E C -0.922 175.548 176.600 -0.217 0.000 0.968 431 E CA -0.165 56.168 56.400 -0.112 0.000 1.090 431 E CB 0.333 30.004 29.700 -0.048 0.000 1.066 431 E HN 0.577 nan 8.360 nan 0.000 0.496 432 H N 1.405 120.093 119.070 -0.637 0.000 2.488 432 H HA 0.249 4.807 4.556 0.004 0.000 0.322 432 H C -0.329 174.957 175.328 -0.069 0.000 1.078 432 H CA -0.576 55.211 56.048 -0.435 0.000 1.260 432 H CB 0.641 29.968 29.762 -0.724 0.000 1.425 432 H HN -0.140 nan 8.280 nan 0.000 0.471 433 R N 4.287 124.428 120.500 -0.598 0.000 2.265 433 R HA 0.498 4.841 4.340 0.005 0.000 0.314 433 R C -0.639 175.382 176.300 -0.464 0.000 1.053 433 R CA -0.539 55.376 56.100 -0.308 0.000 0.931 433 R CB 0.468 30.680 30.300 -0.148 0.000 1.024 433 R HN 0.785 nan 8.270 nan 0.000 0.457 434 A N 3.187 126.068 122.820 0.102 0.000 2.546 434 A HA 0.012 4.335 4.320 0.005 0.000 0.243 434 A C 1.350 179.032 177.584 0.164 0.000 1.063 434 A CA 0.477 52.770 52.037 0.427 0.000 0.757 434 A CB 0.285 19.629 19.000 0.574 0.000 0.991 434 A HN 1.025 nan 8.150 nan 0.000 0.503 435 S N 1.482 117.316 115.700 0.224 0.000 2.442 435 S HA -0.161 4.312 4.470 0.005 0.000 0.236 435 S C 1.351 175.943 174.600 -0.013 0.000 1.007 435 S CA 1.641 59.895 58.200 0.090 0.000 0.965 435 S CB -0.776 62.499 63.200 0.126 0.000 0.773 435 S HN 1.247 nan 8.310 nan 0.000 0.504 436 T N -0.936 113.577 114.554 -0.068 0.000 3.107 436 T HA 0.353 4.706 4.350 0.005 0.000 0.249 436 T C 0.397 175.018 174.700 -0.132 0.000 1.096 436 T CA -0.573 61.425 62.100 -0.171 0.000 1.012 436 T CB -0.476 68.168 68.868 -0.373 0.000 0.977 436 T HN 0.216 nan 8.240 nan 0.000 0.527 437 L N 4.128 125.308 121.223 -0.071 0.000 2.559 437 L HA 0.208 4.550 4.340 0.005 0.000 0.282 437 L C 1.495 178.274 176.870 -0.151 0.000 1.232 437 L CA 0.955 55.727 54.840 -0.113 0.000 0.885 437 L CB 0.714 42.714 42.059 -0.099 0.000 1.131 437 L HN 0.475 nan 8.230 nan 0.000 0.498 438 T N -0.774 113.629 114.554 -0.251 0.000 3.054 438 T HA 0.141 4.494 4.350 0.005 0.000 0.255 438 T C 0.259 174.845 174.700 -0.189 0.000 1.035 438 T CA -0.502 61.444 62.100 -0.256 0.000 0.941 438 T CB -0.333 68.291 68.868 -0.407 0.000 1.026 438 T HN 0.391 nan 8.240 nan 0.000 0.533 439 W N 3.526 124.756 121.300 -0.116 0.000 2.184 439 W HA 0.424 5.087 4.660 0.005 0.000 0.338 439 W C -2.004 174.382 176.519 -0.221 0.000 1.257 439 W CA -2.225 55.031 57.345 -0.148 0.000 1.243 439 W CB 0.211 29.481 29.460 -0.316 0.000 1.122 439 W HN -0.034 nan 8.180 nan 0.000 0.585 440 P HA -0.024 nan 4.420 nan 0.000 0.270 440 P C 0.501 177.700 177.300 -0.168 0.000 1.223 440 P CA 0.094 63.135 63.100 -0.100 0.000 0.785 440 P CB 0.886 32.533 31.700 -0.089 0.000 0.923 441 L N 0.530 121.730 121.223 -0.039 0.000 2.187 441 L HA -0.140 4.203 4.340 0.005 0.000 0.213 441 L C 2.537 179.425 176.870 0.031 0.000 1.100 441 L CA 1.429 56.268 54.840 -0.002 0.000 0.765 441 L CB -0.928 41.163 42.059 0.053 0.000 0.904 441 L HN 0.609 nan 8.230 nan 0.000 0.437 442 W N -1.110 120.225 121.300 0.058 0.000 2.425 442 W HA -0.155 4.507 4.660 0.003 0.000 0.277 442 W C 1.736 178.303 176.519 0.081 0.000 1.231 442 W CA 0.530 57.916 57.345 0.067 0.000 1.248 442 W CB -0.849 28.654 29.460 0.072 0.000 1.117 442 W HN 0.182 nan 8.180 nan 0.000 0.568 443 M N 1.432 120.665 119.600 -0.612 0.000 2.630 443 M HA 0.102 4.584 4.480 0.005 0.000 0.254 443 M C 1.805 178.002 176.300 -0.171 0.000 1.092 443 M CA 1.552 56.501 55.300 -0.585 0.000 1.087 443 M CB -0.625 31.466 32.600 -0.848 0.000 1.453 443 M HN 0.217 nan 8.290 nan 0.000 0.509 444 G N 0.410 109.170 108.800 -0.067 0.000 2.591 444 G HA2 -0.295 3.667 3.960 0.005 0.000 0.298 444 G HA3 -0.295 3.667 3.960 0.005 0.000 0.298 444 G C -0.140 174.772 174.900 0.021 0.000 1.195 444 G CA -0.101 45.010 45.100 0.018 0.000 0.989 444 G HN 0.228 nan 8.290 nan 0.000 0.551 445 V N 3.752 123.724 119.914 0.097 0.000 2.277 445 V HA 0.487 4.609 4.120 0.005 0.000 0.269 445 V C -1.882 174.354 176.094 0.237 0.000 1.036 445 V CA -0.806 61.606 62.300 0.187 0.000 0.821 445 V CB 1.222 33.208 31.823 0.273 0.000 1.052 445 V HN 0.545 nan 8.190 nan 0.000 0.462 446 P HA 0.220 nan 4.420 nan 0.000 0.279 446 P C -0.180 177.379 177.300 0.432 0.000 1.252 446 P CA -0.623 62.635 63.100 0.263 0.000 0.811 446 P CB 0.367 32.126 31.700 0.099 0.000 1.035 447 H N 1.097 120.303 119.070 0.227 0.000 3.219 447 H HA 0.087 4.645 4.556 0.004 0.000 0.283 447 H C 1.628 176.961 175.328 0.010 0.000 0.894 447 H CA 2.564 58.683 56.048 0.118 0.000 1.406 447 H CB -0.743 29.044 29.762 0.041 0.000 1.349 447 H HN 0.791 nan 8.280 nan 0.000 0.550 448 G N 3.337 111.940 108.800 -0.327 0.000 2.234 448 G HA2 -0.326 3.636 3.960 0.005 0.000 0.235 448 G HA3 -0.326 3.636 3.960 0.005 0.000 0.235 448 G C 0.679 175.485 174.900 -0.157 0.000 0.997 448 G CA 0.357 45.235 45.100 -0.369 0.000 0.623 448 G HN 0.646 nan 8.290 nan 0.000 0.514 449 Y N 1.712 122.142 120.300 0.217 0.000 2.462 449 Y HA 0.237 4.789 4.550 0.004 0.000 0.293 449 Y C 2.354 178.395 175.900 0.235 0.000 1.195 449 Y CA 0.982 59.267 58.100 0.309 0.000 1.276 449 Y CB 0.399 39.077 38.460 0.364 0.000 1.082 449 Y HN 0.517 nan 8.280 nan 0.000 0.514 450 E N 0.190 120.351 120.200 -0.064 0.000 2.340 450 E HA -0.065 4.288 4.350 0.005 0.000 0.194 450 E C 1.608 178.104 176.600 -0.173 0.000 0.996 450 E CA 0.670 56.698 56.400 -0.620 0.000 0.869 450 E CB -0.386 28.578 29.700 -1.227 0.000 0.835 450 E HN 0.536 nan 8.360 nan 0.000 0.493 451 I N 2.903 123.461 120.570 -0.019 0.000 2.163 451 I HA -0.303 3.870 4.170 0.005 0.000 0.243 451 I C 2.680 178.789 176.117 -0.013 0.000 1.085 451 I CA 2.095 63.419 61.300 0.041 0.000 1.347 451 I CB -0.505 37.590 38.000 0.158 0.000 1.044 451 I HN 0.191 nan 8.210 nan 0.000 0.408 452 E N 0.965 121.099 120.200 -0.109 0.000 2.209 452 E HA -0.236 4.117 4.350 0.005 0.000 0.196 452 E C 1.981 178.311 176.600 -0.449 0.000 0.993 452 E CA 1.467 57.690 56.400 -0.295 0.000 0.819 452 E CB -0.492 29.006 29.700 -0.337 0.000 0.745 452 E HN 0.453 nan 8.360 nan 0.000 0.477 453 F N 1.310 121.145 119.950 -0.192 0.000 2.118 453 F HA 0.100 4.631 4.527 0.007 0.000 0.293 453 F C 2.378 177.945 175.800 -0.389 0.000 1.102 453 F CA 0.649 58.473 58.000 -0.292 0.000 1.247 453 F CB -0.267 38.623 39.000 -0.182 0.000 1.017 453 F HN -0.108 nan 8.300 nan 0.000 0.475 454 I N -1.074 119.333 120.570 -0.272 0.000 2.335 454 I HA -0.316 3.857 4.170 0.005 0.000 0.251 454 I C 1.797 177.680 176.117 -0.390 0.000 1.129 454 I CA 1.495 62.479 61.300 -0.526 0.000 1.402 454 I CB -0.453 37.064 38.000 -0.805 0.000 1.069 454 I HN 0.059 nan 8.210 nan 0.000 0.424 455 F N 0.513 120.275 119.950 -0.313 0.000 2.789 455 F HA 0.208 4.738 4.527 0.005 0.000 0.300 455 F C 1.810 177.481 175.800 -0.215 0.000 1.132 455 F CA 0.698 58.564 58.000 -0.224 0.000 1.404 455 F CB 0.100 38.955 39.000 -0.242 0.000 1.114 455 F HN 0.161 nan 8.300 nan 0.000 0.584 456 G N 0.281 108.935 108.800 -0.243 0.000 2.160 456 G HA2 -0.301 3.661 3.960 0.005 0.000 0.244 456 G HA3 -0.301 3.661 3.960 0.005 0.000 0.244 456 G C 0.967 175.269 174.900 -0.995 0.000 1.022 456 G CA 0.332 45.152 45.100 -0.467 0.000 0.741 456 G HN 0.285 nan 8.290 nan 0.000 0.508 457 L N 0.409 121.102 121.223 -0.884 0.000 2.043 457 L HA 0.006 4.349 4.340 0.005 0.000 0.212 457 L C 0.521 176.826 176.870 -0.943 0.000 1.075 457 L CA 2.834 57.086 54.840 -0.980 0.000 0.752 457 L CB -1.067 40.679 42.059 -0.522 0.000 0.891 457 L HN 0.222 nan 8.230 nan 0.000 0.432 458 P HA -0.169 nan 4.420 nan 0.000 0.222 458 P C 1.573 178.612 177.300 -0.434 0.000 1.142 458 P CA 0.874 63.396 63.100 -0.963 0.000 0.788 458 P CB 0.018 31.169 31.700 -0.914 0.000 0.767 459 L N -1.227 119.685 121.223 -0.518 0.000 2.456 459 L HA -0.045 4.297 4.340 0.005 0.000 0.224 459 L C 0.895 177.655 176.870 -0.183 0.000 1.148 459 L CA 1.202 55.856 54.840 -0.311 0.000 0.825 459 L CB -1.228 40.652 42.059 -0.299 0.000 0.937 459 L HN -0.029 nan 8.230 nan 0.000 0.450 460 D N -0.488 119.775 120.400 -0.229 0.000 2.339 460 D HA 0.105 4.747 4.640 0.005 0.000 0.241 460 D C -1.630 174.678 176.300 0.014 0.000 1.183 460 D CA -2.100 51.895 54.000 -0.009 0.000 0.859 460 D CB 1.626 42.466 40.800 0.066 0.000 1.067 460 D HN -0.049 nan 8.370 nan 0.000 0.484 461 P HA -0.146 nan 4.420 nan 0.000 0.216 461 P C 1.071 178.387 177.300 0.026 0.000 1.150 461 P CA 1.095 64.210 63.100 0.025 0.000 0.843 461 P CB 0.068 31.780 31.700 0.021 0.000 0.787 462 S N -1.695 114.019 115.700 0.023 0.000 2.660 462 S HA 0.028 4.501 4.470 0.005 0.000 0.228 462 S C 1.475 176.073 174.600 -0.003 0.000 0.966 462 S CA 0.440 58.644 58.200 0.007 0.000 0.940 462 S CB -1.287 61.916 63.200 0.004 0.000 0.773 462 S HN 0.114 nan 8.310 nan 0.000 0.535 463 L N 0.247 121.484 121.223 0.024 0.000 2.554 463 L HA 0.256 4.598 4.340 0.005 0.000 0.225 463 L C 0.353 177.144 176.870 -0.133 0.000 1.104 463 L CA -0.071 54.767 54.840 -0.003 0.000 0.866 463 L CB -0.392 41.746 42.059 0.131 0.000 1.047 463 L HN 0.235 nan 8.230 nan 0.000 0.468 464 N N -2.314 116.346 118.700 -0.067 0.000 2.967 464 N HA -0.197 4.546 4.740 0.005 0.000 0.241 464 N C -0.336 175.095 175.510 -0.132 0.000 0.983 464 N CA 0.677 53.660 53.050 -0.112 0.000 0.918 464 N CB -1.599 36.792 38.487 -0.160 0.000 1.109 464 N HN 0.213 nan 8.380 nan 0.000 0.567 465 Y N 1.579 121.865 120.300 -0.024 0.000 2.457 465 Y HA 0.127 4.680 4.550 0.004 0.000 0.341 465 Y C 1.971 177.896 175.900 0.041 0.000 1.240 465 Y CA 0.592 58.705 58.100 0.021 0.000 1.437 465 Y CB 0.367 38.823 38.460 -0.006 0.000 1.328 465 Y HN 0.089 nan 8.280 nan 0.000 0.588 466 T N -2.167 112.533 114.554 0.243 0.000 2.860 466 T HA 0.048 4.400 4.350 0.005 0.000 0.299 466 T C 1.187 175.973 174.700 0.144 0.000 1.045 466 T CA -0.296 61.897 62.100 0.155 0.000 1.071 466 T CB 0.940 69.891 68.868 0.139 0.000 0.985 466 T HN 0.744 nan 8.240 nan 0.000 0.537 467 T N 1.798 116.404 114.554 0.087 0.000 2.699 467 T HA -0.135 4.218 4.350 0.005 0.000 0.268 467 T C 1.764 176.502 174.700 0.064 0.000 1.036 467 T CA 2.024 64.161 62.100 0.062 0.000 1.147 467 T CB -0.473 68.418 68.868 0.039 0.000 0.862 467 T HN 0.763 nan 8.240 nan 0.000 0.446 468 E N 1.102 121.337 120.200 0.058 0.000 2.085 468 E HA -0.110 4.243 4.350 0.005 0.000 0.194 468 E C 2.234 178.879 176.600 0.074 0.000 0.994 468 E CA 1.113 57.531 56.400 0.031 0.000 0.801 468 E CB -0.245 29.445 29.700 -0.016 0.000 0.743 468 E HN 0.596 nan 8.360 nan 0.000 0.453 469 E N 0.073 120.363 120.200 0.151 0.000 2.106 469 E HA -0.153 4.200 4.350 0.005 0.000 0.192 469 E C 2.151 178.886 176.600 0.224 0.000 0.984 469 E CA 0.653 57.242 56.400 0.314 0.000 0.806 469 E CB -0.055 29.970 29.700 0.541 0.000 0.750 469 E HN 0.094 nan 8.360 nan 0.000 0.458 470 R N 0.773 121.335 120.500 0.104 0.000 2.091 470 R HA -0.162 4.181 4.340 0.005 0.000 0.238 470 R C 2.202 178.510 176.300 0.013 0.000 1.136 470 R CA 1.296 57.397 56.100 0.002 0.000 0.959 470 R CB -0.194 30.105 30.300 -0.003 0.000 0.856 470 R HN 0.150 nan 8.270 nan 0.000 0.437 471 I N 0.094 120.696 120.570 0.054 0.000 2.315 471 I HA -0.242 3.930 4.170 0.005 0.000 0.248 471 I C 2.108 178.281 176.117 0.094 0.000 1.117 471 I CA 0.764 62.092 61.300 0.048 0.000 1.404 471 I CB -0.275 37.750 38.000 0.043 0.000 1.071 471 I HN 0.169 nan 8.210 nan 0.000 0.419 472 F N 1.874 121.793 119.950 -0.051 0.000 2.134 472 F HA -0.181 4.348 4.527 0.004 0.000 0.299 472 F C 2.413 178.211 175.800 -0.003 0.000 1.097 472 F CA 1.187 59.150 58.000 -0.062 0.000 1.264 472 F CB -0.701 38.206 39.000 -0.155 0.000 1.001 472 F HN 0.021 nan 8.300 nan 0.000 0.479 473 A N 0.214 122.976 122.820 -0.096 0.000 1.883 473 A HA -0.247 4.075 4.320 0.005 0.000 0.217 473 A C 2.176 179.626 177.584 -0.222 0.000 1.186 473 A CA 1.871 53.780 52.037 -0.214 0.000 0.624 473 A CB -0.953 17.929 19.000 -0.198 0.000 0.822 473 A HN 0.596 nan 8.150 nan 0.000 0.444 474 Q N -0.866 118.846 119.800 -0.147 0.000 2.096 474 Q HA -0.206 4.136 4.340 0.005 0.000 0.204 474 Q C 2.408 178.312 176.000 -0.160 0.000 0.982 474 Q CA 1.643 57.370 55.803 -0.127 0.000 0.850 474 Q CB -0.219 28.471 28.738 -0.080 0.000 0.901 474 Q HN 0.611 nan 8.270 nan 0.000 0.422 475 R N 0.324 120.721 120.500 -0.171 0.000 2.083 475 R HA -0.145 4.198 4.340 0.005 0.000 0.237 475 R C 2.346 178.388 176.300 -0.430 0.000 1.137 475 R CA 1.311 57.230 56.100 -0.302 0.000 0.951 475 R CB -0.325 29.888 30.300 -0.144 0.000 0.851 475 R HN 0.262 nan 8.270 nan 0.000 0.434 476 L N -0.079 120.993 121.223 -0.251 0.000 2.046 476 L HA -0.195 4.148 4.340 0.005 0.000 0.208 476 L C 2.532 179.387 176.870 -0.025 0.000 1.077 476 L CA 1.333 56.130 54.840 -0.071 0.000 0.747 476 L CB -0.331 41.512 42.059 -0.359 0.000 0.896 476 L HN 0.272 nan 8.230 nan 0.000 0.432 477 M N -0.701 118.812 119.600 -0.146 0.000 2.159 477 M HA -0.197 4.286 4.480 0.005 0.000 0.263 477 M C 2.303 178.609 176.300 0.011 0.000 1.063 477 M CA 1.630 56.874 55.300 -0.093 0.000 1.110 477 M CB -0.294 32.230 32.600 -0.126 0.000 1.374 477 M HN 0.092 nan 8.290 nan 0.000 0.411 478 K N -0.256 120.113 120.400 -0.053 0.000 2.026 478 K HA -0.152 4.171 4.320 0.005 0.000 0.208 478 K C 1.941 178.594 176.600 0.088 0.000 1.048 478 K CA 1.606 57.868 56.287 -0.041 0.000 0.929 478 K CB -0.425 31.986 32.500 -0.147 0.000 0.713 478 K HN 0.287 nan 8.250 nan 0.000 0.439 479 Y N 0.114 120.542 120.300 0.214 0.000 2.081 479 Y HA -0.259 4.295 4.550 0.007 0.000 0.280 479 Y C 2.379 178.405 175.900 0.210 0.000 1.163 479 Y CA 0.929 59.187 58.100 0.264 0.000 1.135 479 Y CB -0.869 37.895 38.460 0.507 0.000 0.970 479 Y HN 0.248 nan 8.280 nan 0.000 0.498 480 W N 0.510 121.886 121.300 0.128 0.000 2.355 480 W HA -0.214 4.448 4.660 0.003 0.000 0.309 480 W C 2.482 178.999 176.519 -0.004 0.000 1.206 480 W CA 2.281 59.634 57.345 0.013 0.000 1.284 480 W CB -0.604 28.785 29.460 -0.119 0.000 1.145 480 W HN 0.239 nan 8.180 nan 0.000 0.502 481 T N -2.359 112.299 114.554 0.173 0.000 2.985 481 T HA -0.105 4.248 4.350 0.005 0.000 0.266 481 T C 1.370 176.091 174.700 0.034 0.000 1.076 481 T CA 1.047 63.180 62.100 0.056 0.000 1.135 481 T CB -0.486 68.395 68.868 0.021 0.000 0.890 481 T HN -0.094 nan 8.240 nan 0.000 0.480 482 N N 1.131 119.868 118.700 0.061 0.000 2.084 482 N HA 0.016 4.759 4.740 0.005 0.000 0.190 482 N C 1.335 176.825 175.510 -0.033 0.000 1.030 482 N CA 0.996 54.058 53.050 0.019 0.000 0.849 482 N CB -0.761 37.755 38.487 0.049 0.000 1.012 482 N HN 0.476 nan 8.380 nan 0.000 0.423 483 F N 1.567 121.420 119.950 -0.162 0.000 2.161 483 F HA -0.136 4.394 4.527 0.004 0.000 0.300 483 F C 2.093 177.800 175.800 -0.156 0.000 1.089 483 F CA 1.427 59.278 58.000 -0.249 0.000 1.282 483 F CB -0.310 38.442 39.000 -0.412 0.000 1.010 483 F HN 0.045 nan 8.300 nan 0.000 0.485 484 A N 0.510 123.244 122.820 -0.144 0.000 1.898 484 A HA -0.125 4.197 4.320 0.005 0.000 0.216 484 A C 2.333 179.802 177.584 -0.191 0.000 1.181 484 A CA 1.445 53.379 52.037 -0.173 0.000 0.620 484 A CB -0.659 18.317 19.000 -0.041 0.000 0.819 484 A HN 0.434 nan 8.150 nan 0.000 0.442 485 R N -0.902 119.518 120.500 -0.134 0.000 2.081 485 R HA -0.097 4.245 4.340 0.005 0.000 0.235 485 R C 1.941 178.152 176.300 -0.149 0.000 1.131 485 R CA 1.936 57.972 56.100 -0.107 0.000 0.960 485 R CB -0.258 30.006 30.300 -0.061 0.000 0.856 485 R HN 0.721 nan 8.270 nan 0.000 0.436 486 T N -5.658 108.772 114.554 -0.206 0.000 3.016 486 T HA 0.247 4.600 4.350 0.005 0.000 0.271 486 T C 1.147 175.705 174.700 -0.237 0.000 0.968 486 T CA 0.364 62.358 62.100 -0.176 0.000 0.891 486 T CB 1.353 70.154 68.868 -0.111 0.000 1.149 486 T HN 0.338 nan 8.240 nan 0.000 0.524 487 G N 1.264 109.782 108.800 -0.469 0.000 2.148 487 G HA2 -0.178 3.784 3.960 0.005 0.000 0.254 487 G HA3 -0.178 3.784 3.960 0.005 0.000 0.254 487 G C -0.346 174.408 174.900 -0.243 0.000 0.981 487 G CA 0.251 45.016 45.100 -0.559 0.000 0.670 487 G HN 0.788 nan 8.290 nan 0.000 0.528 488 D N -0.710 119.552 120.400 -0.231 0.000 2.736 488 D HA 0.439 5.082 4.640 0.005 0.000 0.243 488 D C -1.300 174.840 176.300 -0.267 0.000 1.304 488 D CA -1.618 52.239 54.000 -0.239 0.000 0.934 488 D CB 2.080 42.831 40.800 -0.083 0.000 1.382 488 D HN -0.002 nan 8.370 nan 0.000 0.571 489 P HA -0.059 nan 4.420 nan 0.000 0.226 489 P C 0.056 177.375 177.300 0.031 0.000 1.153 489 P CA 0.210 63.134 63.100 -0.293 0.000 0.777 489 P CB 0.423 31.614 31.700 -0.848 0.000 0.794 490 N N 1.537 120.222 118.700 -0.025 0.000 2.508 490 N HA 0.021 4.763 4.740 0.005 0.000 0.264 490 N C 0.069 175.645 175.510 0.110 0.000 1.216 490 N CA 0.265 53.398 53.050 0.137 0.000 0.943 490 N CB 0.516 39.077 38.487 0.124 0.000 1.113 490 N HN 0.015 nan 8.380 nan 0.000 0.447 491 D N 1.772 122.253 120.400 0.134 0.000 2.339 491 D HA 0.125 4.768 4.640 0.005 0.000 0.256 491 D C -1.453 174.887 176.300 0.066 0.000 1.214 491 D CA -1.620 52.428 54.000 0.081 0.000 0.877 491 D CB 1.310 42.152 40.800 0.070 0.000 1.111 491 D HN 0.254 nan 8.370 nan 0.000 0.478 492 P HA -0.085 nan 4.420 nan 0.000 0.216 492 P C 0.924 178.247 177.300 0.039 0.000 1.153 492 P CA 1.140 64.264 63.100 0.040 0.000 0.848 492 P CB 0.511 32.225 31.700 0.024 0.000 0.787 493 R N 0.025 120.546 120.500 0.035 0.000 2.054 493 R HA -0.004 4.339 4.340 0.005 0.000 0.223 493 R C 1.084 177.407 176.300 0.039 0.000 1.176 493 R CA 0.973 57.093 56.100 0.032 0.000 0.934 493 R CB -1.770 28.545 30.300 0.025 0.000 0.828 493 R HN 0.109 nan 8.270 nan 0.000 0.441 494 D N 1.254 121.678 120.400 0.041 0.000 2.426 494 D HA -0.044 4.598 4.640 0.005 0.000 0.271 494 D C -0.097 176.240 176.300 0.063 0.000 1.376 494 D CA 0.108 54.136 54.000 0.047 0.000 1.149 494 D CB 0.260 41.086 40.800 0.042 0.000 1.118 494 D HN 0.331 nan 8.370 nan 0.000 0.529 495 S N 1.265 117.000 115.700 0.060 0.000 2.568 495 S HA 0.133 4.606 4.470 0.005 0.000 0.232 495 S C 1.883 176.521 174.600 0.064 0.000 0.975 495 S CA -0.058 58.184 58.200 0.070 0.000 0.949 495 S CB 0.478 63.717 63.200 0.066 0.000 0.829 495 S HN 0.417 nan 8.310 nan 0.000 0.479 496 K N 1.766 122.199 120.400 0.055 0.000 2.148 496 K HA 0.213 4.536 4.320 0.005 0.000 0.204 496 K C 1.116 177.751 176.600 0.059 0.000 1.050 496 K CA 1.266 57.582 56.287 0.049 0.000 0.942 496 K CB -1.078 31.446 32.500 0.040 0.000 0.724 496 K HN 0.513 nan 8.250 nan 0.000 0.446 497 S N 1.941 117.685 115.700 0.073 0.000 2.572 497 S HA 0.321 4.794 4.470 0.005 0.000 0.279 497 S C -2.325 172.339 174.600 0.106 0.000 1.341 497 S CA -1.055 57.201 58.200 0.094 0.000 1.043 497 S CB 1.089 64.362 63.200 0.121 0.000 0.887 497 S HN 0.371 nan 8.310 nan 0.000 0.516 498 P HA 0.159 nan 4.420 nan 0.000 0.269 498 P C -0.541 176.849 177.300 0.149 0.000 1.209 498 P CA -0.336 62.826 63.100 0.103 0.000 0.776 498 P CB 0.408 32.153 31.700 0.075 0.000 0.876 499 Q N 0.713 120.604 119.800 0.151 0.000 2.227 499 Q HA 0.223 4.566 4.340 0.005 0.000 0.245 499 Q C -0.751 175.415 176.000 0.275 0.000 0.926 499 Q CA -0.064 55.865 55.803 0.211 0.000 0.895 499 Q CB 0.925 29.772 28.738 0.182 0.000 1.230 499 Q HN 0.558 nan 8.270 nan 0.000 0.450 500 W N 5.711 127.084 121.300 0.121 0.000 2.311 500 W HA 0.344 5.006 4.660 0.004 0.000 0.317 500 W C -2.478 174.198 176.519 0.262 0.000 1.065 500 W CA -2.548 54.884 57.345 0.145 0.000 1.364 500 W CB 0.557 30.055 29.460 0.063 0.000 1.233 500 W HN 0.365 nan 8.180 nan 0.000 0.409 501 P HA 0.238 nan 4.420 nan 0.000 0.278 501 P C -2.554 174.946 177.300 0.334 0.000 1.238 501 P CA -1.647 61.673 63.100 0.367 0.000 0.794 501 P CB 0.764 32.594 31.700 0.217 0.000 0.955 502 P HA -0.056 nan 4.420 nan 0.000 0.266 502 P C -0.486 176.817 177.300 0.005 0.000 1.186 502 P CA 0.452 63.348 63.100 -0.341 0.000 0.767 502 P CB -0.022 31.480 31.700 -0.331 0.000 0.820 503 Y N 3.157 123.416 120.300 -0.069 0.000 2.402 503 Y HA 0.313 4.869 4.550 0.009 0.000 0.333 503 Y C 0.384 176.283 175.900 -0.002 0.000 1.076 503 Y CA 0.522 58.644 58.100 0.037 0.000 1.299 503 Y CB 0.258 38.767 38.460 0.082 0.000 1.197 503 Y HN 0.367 nan 8.280 nan 0.000 0.517 504 T N 0.410 114.712 114.554 -0.420 0.000 2.916 504 T HA 0.221 4.574 4.350 0.005 0.000 0.292 504 T C 0.969 175.406 174.700 -0.438 0.000 1.055 504 T CA -0.223 61.704 62.100 -0.287 0.000 1.009 504 T CB 1.319 70.099 68.868 -0.147 0.000 1.118 504 T HN 0.683 nan 8.240 nan 0.000 0.497 505 T N -0.390 114.051 114.554 -0.187 0.000 2.788 505 T HA -0.084 4.269 4.350 0.005 0.000 0.268 505 T C 2.252 176.885 174.700 -0.112 0.000 1.044 505 T CA 1.261 63.292 62.100 -0.116 0.000 1.139 505 T CB -0.934 67.930 68.868 -0.007 0.000 0.867 505 T HN 0.858 nan 8.240 nan 0.000 0.454 506 A N 1.869 124.632 122.820 -0.094 0.000 1.845 506 A HA 0.379 4.702 4.320 0.005 0.000 0.215 506 A C 2.701 180.238 177.584 -0.078 0.000 1.195 506 A CA 2.103 54.102 52.037 -0.063 0.000 0.616 506 A CB -1.271 17.704 19.000 -0.043 0.000 0.832 506 A HN 0.909 nan 8.150 nan 0.000 0.443 507 A N -2.492 120.258 122.820 -0.118 0.000 2.197 507 A HA 0.333 4.655 4.320 0.005 0.000 0.210 507 A C 0.833 178.337 177.584 -0.134 0.000 1.180 507 A CA 0.753 52.733 52.037 -0.094 0.000 0.846 507 A CB -0.165 18.799 19.000 -0.060 0.000 0.884 507 A HN 0.542 nan 8.150 nan 0.000 0.487 508 Q N 0.160 119.753 119.800 -0.346 0.000 2.435 508 Q HA -0.228 4.115 4.340 0.005 0.000 0.312 508 Q C -0.722 175.287 176.000 0.017 0.000 1.333 508 Q CA 0.710 56.217 55.803 -0.493 0.000 0.883 508 Q CB -1.658 27.021 28.738 -0.100 0.000 1.170 508 Q HN 0.827 nan 8.270 nan 0.000 0.443 509 Q N 0.365 120.187 119.800 0.036 0.000 2.259 509 Q HA 0.550 4.892 4.340 0.005 0.000 0.249 509 Q C -0.386 175.901 176.000 0.478 0.000 0.914 509 Q CA -0.199 55.722 55.803 0.198 0.000 0.904 509 Q CB 0.735 29.533 28.738 0.101 0.000 1.213 509 Q HN 0.371 nan 8.270 nan 0.000 0.428 510 Y N -1.954 118.487 120.300 0.235 0.000 2.655 510 Y HA 0.743 5.304 4.550 0.018 0.000 0.336 510 Y C -1.117 174.788 175.900 0.007 0.000 1.154 510 Y CA -1.518 56.707 58.100 0.208 0.000 1.055 510 Y CB 0.563 39.142 38.460 0.197 0.000 1.295 510 Y HN 0.353 nan 8.280 nan 0.000 0.465 511 V N -0.638 119.231 119.914 -0.076 0.000 2.864 511 V HA 0.826 4.949 4.120 0.005 0.000 0.314 511 V C -0.225 175.810 176.094 -0.098 0.000 1.073 511 V CA -0.704 61.399 62.300 -0.328 0.000 0.956 511 V CB 1.293 32.633 31.823 -0.805 0.000 1.023 511 V HN 1.138 nan 8.190 nan 0.000 0.435 512 S N 3.306 118.945 115.700 -0.102 0.000 2.513 512 S HA 0.696 5.168 4.470 0.005 0.000 0.276 512 S C -0.435 174.137 174.600 -0.046 0.000 1.254 512 S CA -0.660 57.540 58.200 -0.000 0.000 1.053 512 S CB 0.527 63.717 63.200 -0.015 0.000 0.958 512 S HN 0.731 nan 8.310 nan 0.000 0.491 513 L N 4.107 125.350 121.223 0.034 0.000 2.264 513 L HA 0.514 4.857 4.340 0.005 0.000 0.287 513 L C -0.181 176.594 176.870 -0.158 0.000 1.039 513 L CA -0.488 54.398 54.840 0.077 0.000 0.829 513 L CB -0.104 42.121 42.059 0.278 0.000 1.211 513 L HN 0.913 nan 8.230 nan 0.000 0.427 514 N N 2.092 120.608 118.700 -0.307 0.000 3.439 514 N HA 0.368 5.111 4.740 0.005 0.000 0.313 514 N C 0.289 175.206 175.510 -0.987 0.000 1.598 514 N CA -0.984 51.636 53.050 -0.716 0.000 0.830 514 N CB 0.668 38.927 38.487 -0.380 0.000 1.849 514 N HN 0.188 nan 8.380 nan 0.000 0.598 515 L N -0.871 119.838 121.223 -0.857 0.000 2.201 515 L HA 0.046 4.389 4.340 0.005 0.000 0.212 515 L C 0.533 177.207 176.870 -0.326 0.000 1.105 515 L CA 1.087 55.525 54.840 -0.671 0.000 0.775 515 L CB -0.488 41.287 42.059 -0.474 0.000 0.913 515 L HN 0.417 nan 8.230 nan 0.000 0.440 516 K N 0.038 120.295 120.400 -0.239 0.000 2.168 516 K HA 0.238 4.560 4.320 0.005 0.000 0.258 516 K C -2.155 174.401 176.600 -0.073 0.000 1.010 516 K CA -1.827 54.387 56.287 -0.122 0.000 0.929 516 K CB 0.100 32.542 32.500 -0.097 0.000 0.998 516 K HN -0.199 nan 8.250 nan 0.000 0.479 517 P HA -0.050 nan 4.420 nan 0.000 0.268 517 P C -0.373 176.935 177.300 0.013 0.000 1.208 517 P CA -0.112 63.002 63.100 0.023 0.000 0.777 517 P CB 0.379 32.095 31.700 0.027 0.000 0.875 518 L N 1.518 122.770 121.223 0.049 0.000 2.678 518 L HA -0.112 4.231 4.340 0.005 0.000 0.285 518 L C 1.107 177.950 176.870 -0.046 0.000 1.233 518 L CA 1.019 55.849 54.840 -0.018 0.000 0.920 518 L CB -0.294 41.759 42.059 -0.009 0.000 1.176 518 L HN 0.531 nan 8.230 nan 0.000 0.495 519 E N 3.318 123.465 120.200 -0.089 0.000 2.187 519 E HA 0.422 4.774 4.350 0.005 0.000 0.268 519 E C -1.383 175.131 176.600 -0.143 0.000 0.896 519 E CA -0.793 55.554 56.400 -0.089 0.000 0.766 519 E CB 2.054 31.709 29.700 -0.076 0.000 1.142 519 E HN 0.300 nan 8.360 nan 0.000 0.408 520 V N 5.006 124.845 119.914 -0.125 0.000 2.465 520 V HA 0.432 4.555 4.120 0.005 0.000 0.279 520 V C 0.194 176.152 176.094 -0.228 0.000 1.045 520 V CA -0.303 61.896 62.300 -0.168 0.000 0.938 520 V CB 1.104 32.882 31.823 -0.076 0.000 0.986 520 V HN 0.687 nan 8.190 nan 0.000 0.467 521 R N 4.272 124.507 120.500 -0.441 0.000 2.854 521 R HA 0.721 5.063 4.340 0.005 0.000 0.271 521 R C -0.944 175.075 176.300 -0.467 0.000 0.994 521 R CA -1.034 54.763 56.100 -0.505 0.000 0.945 521 R CB 2.499 32.374 30.300 -0.709 0.000 1.194 521 R HN 0.584 nan 8.270 nan 0.000 0.476 522 R N 0.358 120.767 120.500 -0.152 0.000 2.599 522 R HA 0.502 4.844 4.340 0.005 0.000 0.295 522 R C -0.465 175.981 176.300 0.244 0.000 0.963 522 R CA -0.727 55.404 56.100 0.051 0.000 0.883 522 R CB 2.093 32.410 30.300 0.029 0.000 1.171 522 R HN 0.902 nan 8.270 nan 0.000 0.450 523 G N 2.065 111.080 108.800 0.360 0.000 3.396 523 G HA2 -0.214 3.749 3.960 0.005 0.000 0.682 523 G HA3 -0.214 3.749 3.960 0.005 0.000 0.682 523 G C -1.008 174.145 174.900 0.422 0.000 0.924 523 G CA -0.900 44.406 45.100 0.344 0.000 0.770 523 G HN 0.368 nan 8.290 nan 0.000 0.484 524 L N 4.469 125.846 121.223 0.258 0.000 2.328 524 L HA 0.497 4.839 4.340 0.005 0.000 0.280 524 L C 1.595 178.503 176.870 0.062 0.000 1.111 524 L CA -0.490 54.331 54.840 -0.031 0.000 0.909 524 L CB -0.229 41.738 42.059 -0.154 0.000 1.277 524 L HN 0.701 nan 8.230 nan 0.000 0.433 525 R N 2.981 123.544 120.500 0.106 0.000 3.184 525 R HA -0.280 4.062 4.340 0.005 0.000 0.242 525 R C 1.328 177.733 176.300 0.175 0.000 0.907 525 R CA 0.686 56.879 56.100 0.154 0.000 0.618 525 R CB -2.010 28.389 30.300 0.165 0.000 1.016 525 R HN 0.752 nan 8.270 nan 0.000 0.469 526 A N 0.675 123.598 122.820 0.171 0.000 1.883 526 A HA -0.256 4.067 4.320 0.005 0.000 0.217 526 A C 2.087 179.768 177.584 0.163 0.000 1.186 526 A CA 1.286 53.421 52.037 0.164 0.000 0.624 526 A CB -0.103 18.988 19.000 0.151 0.000 0.822 526 A HN 0.409 nan 8.150 nan 0.000 0.444 527 Q N -0.629 119.265 119.800 0.157 0.000 1.993 527 Q HA -0.119 4.224 4.340 0.005 0.000 0.202 527 Q C 2.322 178.443 176.000 0.201 0.000 0.984 527 Q CA 2.175 58.073 55.803 0.158 0.000 0.837 527 Q CB -1.331 27.491 28.738 0.140 0.000 0.902 527 Q HN 0.653 nan 8.270 nan 0.000 0.423 528 T N 0.788 115.495 114.554 0.254 0.000 2.720 528 T HA -0.153 4.199 4.350 0.005 0.000 0.268 528 T C 2.048 176.986 174.700 0.397 0.000 1.037 528 T CA 1.407 63.703 62.100 0.327 0.000 1.144 528 T CB -0.374 68.737 68.868 0.405 0.000 0.864 528 T HN 0.328 nan 8.240 nan 0.000 0.444 529 c N 1.529 120.342 118.600 0.355 0.000 2.432 529 c HA 0.209 4.782 4.570 0.005 0.000 0.280 529 c C 3.132 177.388 174.090 0.277 0.000 1.353 529 c CA -0.032 56.515 56.329 0.363 0.000 1.766 529 c CB -1.477 41.180 42.510 0.245 0.000 1.924 529 c HN 0.646 nan 8.230 nan 0.000 0.509 530 A N 0.237 123.184 122.820 0.212 0.000 1.933 530 A HA -0.201 4.121 4.320 0.005 0.000 0.218 530 A C 1.871 179.547 177.584 0.154 0.000 1.175 530 A CA 1.660 53.794 52.037 0.161 0.000 0.628 530 A CB -0.771 18.308 19.000 0.132 0.000 0.814 530 A HN 0.573 nan 8.150 nan 0.000 0.444 531 F N -0.875 119.054 119.950 -0.035 0.000 2.075 531 F HA -0.161 4.368 4.527 0.003 0.000 0.297 531 F C 1.947 177.694 175.800 -0.089 0.000 1.113 531 F CA 1.777 59.675 58.000 -0.170 0.000 1.218 531 F CB -0.496 38.130 39.000 -0.624 0.000 0.984 531 F HN 0.370 nan 8.300 nan 0.000 0.472 532 W N 0.655 121.932 121.300 -0.038 0.000 2.409 532 W HA -0.115 4.546 4.660 0.002 0.000 0.299 532 W C 2.237 178.698 176.519 -0.096 0.000 1.203 532 W CA 0.979 58.258 57.345 -0.111 0.000 1.298 532 W CB -0.547 28.991 29.460 0.130 0.000 1.127 532 W HN -0.027 nan 8.180 nan 0.000 0.528 533 N N -0.201 118.620 118.700 0.202 0.000 2.336 533 N HA 0.013 4.755 4.740 0.005 0.000 0.177 533 N C 1.556 177.096 175.510 0.051 0.000 1.018 533 N CA 1.048 54.167 53.050 0.114 0.000 0.878 533 N CB -0.364 38.194 38.487 0.118 0.000 0.997 533 N HN 0.212 nan 8.380 nan 0.000 0.433 534 R N -1.013 119.520 120.500 0.054 0.000 2.121 534 R HA 0.216 4.559 4.340 0.005 0.000 0.206 534 R C 1.630 177.948 176.300 0.030 0.000 1.094 534 R CA 0.185 56.314 56.100 0.048 0.000 1.055 534 R CB -0.268 30.082 30.300 0.083 0.000 0.964 534 R HN 0.071 nan 8.270 nan 0.000 0.473 535 F N 1.414 121.275 119.950 -0.149 0.000 2.123 535 F HA 0.023 4.553 4.527 0.005 0.000 0.289 535 F C 1.949 177.581 175.800 -0.279 0.000 1.099 535 F CA 0.949 58.833 58.000 -0.194 0.000 1.234 535 F CB -0.298 38.594 39.000 -0.180 0.000 1.034 535 F HN -0.139 nan 8.300 nan 0.000 0.479 536 L N 1.105 121.981 121.223 -0.578 0.000 2.021 536 L HA -0.186 4.157 4.340 0.005 0.000 0.215 536 L C -0.465 176.155 176.870 -0.416 0.000 1.074 536 L CA 2.420 56.877 54.840 -0.638 0.000 0.760 536 L CB -2.231 39.470 42.059 -0.598 0.000 0.889 536 L HN 0.110 nan 8.230 nan 0.000 0.433 537 P HA -0.209 nan 4.420 nan 0.000 0.215 537 P C 1.440 178.608 177.300 -0.221 0.000 1.157 537 P CA 1.667 64.662 63.100 -0.177 0.000 0.874 537 P CB -0.081 31.554 31.700 -0.109 0.000 0.790 538 K N -1.071 119.155 120.400 -0.289 0.000 2.147 538 K HA -0.105 4.218 4.320 0.005 0.000 0.205 538 K C 1.790 178.186 176.600 -0.339 0.000 1.049 538 K CA 0.911 57.032 56.287 -0.278 0.000 0.936 538 K CB -0.806 31.544 32.500 -0.250 0.000 0.722 538 K HN 0.107 nan 8.250 nan 0.000 0.446 539 L N 0.935 121.841 121.223 -0.528 0.000 2.552 539 L HA -0.021 4.322 4.340 0.005 0.000 0.227 539 L C 1.241 177.976 176.870 -0.224 0.000 1.146 539 L CA 1.019 55.611 54.840 -0.413 0.000 0.858 539 L CB -0.036 41.692 42.059 -0.552 0.000 0.969 539 L HN 0.016 nan 8.230 nan 0.000 0.451 540 L N -1.695 119.410 121.223 -0.197 0.000 2.585 540 L HA 0.217 4.560 4.340 0.005 0.000 0.226 540 L C 1.351 178.165 176.870 -0.093 0.000 1.113 540 L CA 0.597 55.366 54.840 -0.118 0.000 0.876 540 L CB -0.417 41.584 42.059 -0.096 0.000 1.072 540 L HN 0.089 nan 8.230 nan 0.000 0.468 541 S N 0.267 115.903 115.700 -0.106 0.000 2.577 541 S HA 0.768 5.241 4.470 0.005 0.000 0.239 541 S C 0.345 174.904 174.600 -0.068 0.000 1.236 541 S CA 0.285 58.439 58.200 -0.077 0.000 1.233 541 S CB 0.084 63.240 63.200 -0.073 0.000 0.908 541 S HN 0.309 nan 8.310 nan 0.000 0.493 542 A N 0.000 122.782 122.820 -0.063 0.000 2.254 542 A HA 0.000 4.323 4.320 0.005 0.000 0.244 542 A CA 0.000 52.010 52.037 -0.046 0.000 0.836 542 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486