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 1vao_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.754 176.600 0.256 0.000 1.382 6 E CA 0.000 56.419 56.400 0.031 0.000 0.976 6 E CB 0.000 29.795 29.700 0.159 0.000 0.812 7 F N 0.734 120.780 119.950 0.159 0.000 2.027 7 F HA 0.063 4.590 4.527 -0.001 0.000 0.297 7 F C 1.054 176.934 175.800 0.134 0.000 1.129 7 F CA 1.789 59.877 58.000 0.148 0.000 1.195 7 F CB -0.751 38.306 39.000 0.095 0.000 0.960 7 F HN 0.562 nan 8.300 nan 0.000 0.485 8 R N 0.489 121.139 120.500 0.250 0.000 2.695 8 R HA 0.387 4.727 4.340 -0.001 0.000 0.288 8 R C -2.956 173.295 176.300 -0.082 0.000 1.344 8 R CA -1.909 54.207 56.100 0.027 0.000 1.005 8 R CB 1.265 31.558 30.300 -0.012 0.000 1.233 8 R HN 0.026 nan 8.270 nan 0.000 0.442 9 P HA 0.037 nan 4.420 nan 0.000 0.272 9 P C 0.416 177.621 177.300 -0.159 0.000 1.254 9 P CA -0.347 62.601 63.100 -0.254 0.000 0.795 9 P CB 0.891 32.261 31.700 -0.550 0.000 1.022 10 L N -1.428 119.736 121.223 -0.099 0.000 2.249 10 L HA 0.096 4.436 4.340 -0.001 0.000 0.207 10 L C 0.567 177.387 176.870 -0.084 0.000 1.090 10 L CA 1.219 56.016 54.840 -0.073 0.000 0.802 10 L CB -0.317 41.716 42.059 -0.044 0.000 0.947 10 L HN 0.366 nan 8.230 nan 0.000 0.453 11 T N 0.742 115.241 114.554 -0.090 0.000 2.991 11 T HA 0.495 4.844 4.350 -0.001 0.000 0.303 11 T C -0.591 174.053 174.700 -0.093 0.000 1.015 11 T CA -0.416 61.639 62.100 -0.074 0.000 1.007 11 T CB 2.426 71.280 68.868 -0.023 0.000 1.034 11 T HN -0.126 nan 8.240 nan 0.000 0.446 12 L N 4.714 125.872 121.223 -0.108 0.000 2.309 12 L HA 0.482 4.822 4.340 -0.001 0.000 0.282 12 L C -1.885 174.939 176.870 -0.077 0.000 1.036 12 L CA -2.319 52.448 54.840 -0.122 0.000 0.806 12 L CB 1.284 43.259 42.059 -0.140 0.000 1.220 12 L HN 0.375 nan 8.230 nan 0.000 0.429 13 P HA 0.093 nan 4.420 nan 0.000 0.272 13 P C -2.611 174.646 177.300 -0.071 0.000 1.248 13 P CA -1.105 61.918 63.100 -0.128 0.000 0.799 13 P CB -0.670 30.748 31.700 -0.470 0.000 0.997 14 P HA 0.028 nan 4.420 nan 0.000 0.268 14 P C 0.035 177.309 177.300 -0.043 0.000 1.204 14 P CA 0.290 63.420 63.100 0.051 0.000 0.768 14 P CB 0.011 31.788 31.700 0.129 0.000 0.842 15 K N -0.897 119.483 120.400 -0.032 0.000 3.274 15 K HA -0.173 4.146 4.320 -0.001 0.000 0.305 15 K C 0.177 176.752 176.600 -0.041 0.000 1.225 15 K CA 0.554 56.818 56.287 -0.038 0.000 0.904 15 K CB -1.232 31.244 32.500 -0.040 0.000 1.227 15 K HN 0.352 nan 8.250 nan 0.000 0.453 16 L N 2.073 123.250 121.223 -0.075 0.000 2.276 16 L HA 0.235 4.575 4.340 -0.001 0.000 0.286 16 L C 0.848 177.716 176.870 -0.002 0.000 1.061 16 L CA 0.358 55.162 54.840 -0.060 0.000 0.807 16 L CB 1.208 43.137 42.059 -0.217 0.000 1.177 16 L HN 0.283 nan 8.230 nan 0.000 0.429 17 S N 4.125 119.858 115.700 0.054 0.000 2.608 17 S HA 0.106 4.575 4.470 -0.001 0.000 0.261 17 S C 1.051 175.719 174.600 0.114 0.000 1.314 17 S CA -0.577 57.663 58.200 0.067 0.000 0.992 17 S CB 1.118 64.361 63.200 0.072 0.000 0.935 17 S HN 0.607 nan 8.310 nan 0.000 0.564 18 L N 1.663 122.943 121.223 0.096 0.000 2.046 18 L HA -0.020 4.320 4.340 -0.001 0.000 0.208 18 L C 2.730 179.731 176.870 0.218 0.000 1.077 18 L CA 2.346 57.266 54.840 0.134 0.000 0.747 18 L CB -1.387 40.719 42.059 0.078 0.000 0.896 18 L HN 0.978 nan 8.230 nan 0.000 0.432 19 S N -0.940 114.866 115.700 0.176 0.000 2.368 19 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 19 S C 1.737 176.480 174.600 0.238 0.000 1.030 19 S CA 1.504 59.816 58.200 0.188 0.000 0.999 19 S CB -0.430 62.858 63.200 0.147 0.000 0.844 19 S HN 0.575 nan 8.310 nan 0.000 0.459 20 D N 0.318 120.872 120.400 0.257 0.000 2.144 20 D HA -0.082 4.558 4.640 -0.001 0.000 0.199 20 D C 1.544 178.021 176.300 0.296 0.000 0.984 20 D CA 0.944 55.160 54.000 0.359 0.000 0.834 20 D CB -0.513 40.535 40.800 0.414 0.000 0.955 20 D HN 0.532 nan 8.370 nan 0.000 0.465 21 F N 1.985 122.016 119.950 0.134 0.000 2.069 21 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 21 F C 1.955 177.858 175.800 0.171 0.000 1.113 21 F CA 1.414 59.502 58.000 0.147 0.000 1.214 21 F CB -0.305 38.767 39.000 0.119 0.000 0.978 21 F HN -0.115 nan 8.300 nan 0.000 0.474 22 N N 0.113 119.004 118.700 0.318 0.000 2.272 22 N HA -0.226 4.513 4.740 -0.001 0.000 0.185 22 N C 1.889 177.438 175.510 0.065 0.000 1.014 22 N CA 1.326 54.484 53.050 0.179 0.000 0.870 22 N CB -0.277 38.348 38.487 0.231 0.000 0.975 22 N HN 0.578 nan 8.380 nan 0.000 0.433 23 E N 0.437 120.704 120.200 0.111 0.000 2.033 23 E HA -0.144 4.205 4.350 -0.001 0.000 0.189 23 E C 1.830 178.406 176.600 -0.040 0.000 0.979 23 E CA 0.443 56.904 56.400 0.101 0.000 0.802 23 E CB -0.123 29.735 29.700 0.264 0.000 0.763 23 E HN 0.191 nan 8.360 nan 0.000 0.449 24 F N 1.301 120.970 119.950 -0.467 0.000 2.065 24 F HA -0.273 4.253 4.527 -0.001 0.000 0.298 24 F C 2.212 177.709 175.800 -0.503 0.000 1.112 24 F CA 1.656 59.196 58.000 -0.767 0.000 1.212 24 F CB -0.352 38.101 39.000 -0.912 0.000 0.975 24 F HN 0.086 nan 8.300 nan 0.000 0.476 25 I N 0.582 121.049 120.570 -0.170 0.000 2.194 25 I HA -0.347 3.823 4.170 -0.001 0.000 0.246 25 I C 2.383 178.365 176.117 -0.226 0.000 1.093 25 I CA 1.620 62.753 61.300 -0.279 0.000 1.355 25 I CB -0.582 37.093 38.000 -0.541 0.000 1.046 25 I HN 0.287 nan 8.210 nan 0.000 0.413 26 Q N -0.139 119.562 119.800 -0.166 0.000 2.119 26 Q HA -0.183 4.157 4.340 -0.001 0.000 0.201 26 Q C 1.911 177.825 176.000 -0.143 0.000 0.972 26 Q CA 1.468 57.194 55.803 -0.128 0.000 0.847 26 Q CB -0.375 28.317 28.738 -0.076 0.000 0.903 26 Q HN 0.550 nan 8.270 nan 0.000 0.433 27 D N 0.557 120.850 120.400 -0.178 0.000 2.097 27 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 27 D C 2.005 178.172 176.300 -0.223 0.000 0.989 27 D CA 0.864 54.756 54.000 -0.179 0.000 0.827 27 D CB -0.179 40.480 40.800 -0.234 0.000 0.966 27 D HN 0.274 nan 8.370 nan 0.000 0.456 28 I N 0.656 121.034 120.570 -0.320 0.000 2.315 28 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 28 I C 2.387 178.388 176.117 -0.194 0.000 1.117 28 I CA 0.617 61.736 61.300 -0.302 0.000 1.404 28 I CB -0.192 37.569 38.000 -0.399 0.000 1.071 28 I HN -0.032 nan 8.210 nan 0.000 0.419 29 I N 0.601 121.072 120.570 -0.165 0.000 2.226 29 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 29 I C 2.811 178.866 176.117 -0.102 0.000 1.100 29 I CA 1.257 62.487 61.300 -0.117 0.000 1.374 29 I CB -0.397 37.542 38.000 -0.101 0.000 1.057 29 I HN 0.191 nan 8.210 nan 0.000 0.413 30 R N 1.178 121.614 120.500 -0.106 0.000 2.096 30 R HA -0.152 4.187 4.340 -0.001 0.000 0.235 30 R C 2.234 178.482 176.300 -0.088 0.000 1.127 30 R CA 1.478 57.526 56.100 -0.086 0.000 0.968 30 R CB -0.101 30.152 30.300 -0.079 0.000 0.861 30 R HN 0.310 nan 8.270 nan 0.000 0.440 31 I N -0.231 120.273 120.570 -0.110 0.000 2.141 31 I HA -0.205 3.965 4.170 -0.001 0.000 0.236 31 I C 2.189 178.253 176.117 -0.088 0.000 1.071 31 I CA 1.238 62.477 61.300 -0.101 0.000 1.345 31 I CB -0.221 37.703 38.000 -0.127 0.000 1.066 31 I HN 0.139 nan 8.210 nan 0.000 0.406 32 V N -0.938 118.918 119.914 -0.097 0.000 3.406 32 V HA 0.441 4.561 4.120 -0.001 0.000 0.263 32 V C 0.799 176.854 176.094 -0.064 0.000 1.172 32 V CA 0.366 62.619 62.300 -0.079 0.000 1.140 32 V CB -0.933 30.838 31.823 -0.086 0.000 0.784 32 V HN 0.583 nan 8.190 nan 0.000 0.467 33 G N 0.631 109.392 108.800 -0.064 0.000 2.784 33 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.686 33 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.686 33 G C 0.351 175.221 174.900 -0.050 0.000 1.156 33 G CA 0.248 45.317 45.100 -0.051 0.000 0.757 33 G HN 1.353 nan 8.290 nan 0.000 0.642 34 S N -0.046 115.628 115.700 -0.044 0.000 2.420 34 S HA -0.132 4.337 4.470 -0.001 0.000 0.237 34 S C 1.618 176.202 174.600 -0.026 0.000 1.023 34 S CA 1.950 60.126 58.200 -0.040 0.000 0.991 34 S CB -0.072 63.105 63.200 -0.038 0.000 0.792 34 S HN 0.694 nan 8.310 nan 0.000 0.488 35 E N 1.871 122.057 120.200 -0.023 0.000 2.347 35 E HA 0.045 4.395 4.350 -0.001 0.000 0.196 35 E C 0.739 177.329 176.600 -0.016 0.000 1.008 35 E CA 0.431 56.823 56.400 -0.014 0.000 0.852 35 E CB -0.388 29.304 29.700 -0.014 0.000 0.783 35 E HN 0.611 nan 8.360 nan 0.000 0.505 36 N N 0.373 119.055 118.700 -0.029 0.000 2.268 36 N HA 0.056 4.795 4.740 -0.001 0.000 0.204 36 N C -0.426 175.063 175.510 -0.036 0.000 1.124 36 N CA 0.135 53.163 53.050 -0.036 0.000 0.838 36 N CB 1.410 39.869 38.487 -0.046 0.000 0.994 36 N HN -0.106 nan 8.380 nan 0.000 0.489 37 V N -0.049 119.852 119.914 -0.022 0.000 2.969 37 V HA 0.386 4.506 4.120 -0.001 0.000 0.304 37 V C -0.608 175.498 176.094 0.021 0.000 1.192 37 V CA -0.988 61.305 62.300 -0.011 0.000 0.962 37 V CB 3.173 34.973 31.823 -0.037 0.000 1.045 37 V HN -0.035 nan 8.190 nan 0.000 0.428 38 E N 2.245 122.476 120.200 0.052 0.000 2.302 38 E HA 0.576 4.926 4.350 -0.001 0.000 0.263 38 E C -1.708 174.970 176.600 0.128 0.000 0.897 38 E CA -0.370 56.081 56.400 0.085 0.000 0.809 38 E CB 2.276 32.029 29.700 0.087 0.000 1.270 38 E HN 0.517 nan 8.360 nan 0.000 0.410 39 V N 5.303 125.315 119.914 0.163 0.000 2.732 39 V HA 0.292 4.412 4.120 -0.001 0.000 0.297 39 V C 0.445 176.647 176.094 0.180 0.000 1.060 39 V CA -0.215 62.233 62.300 0.248 0.000 1.038 39 V CB 1.308 33.323 31.823 0.321 0.000 1.003 39 V HN 0.644 nan 8.190 nan 0.000 0.481 40 I N 3.587 124.252 120.570 0.158 0.000 2.388 40 I HA 0.265 4.435 4.170 -0.001 0.000 0.281 40 I C 0.469 176.615 176.117 0.048 0.000 1.046 40 I CA 0.246 61.603 61.300 0.095 0.000 1.187 40 I CB 0.912 38.965 38.000 0.087 0.000 1.351 40 I HN 0.594 nan 8.210 nan 0.000 0.472 48 D N 1.371 122.019 120.400 0.412 0.000 2.351 48 D HA 0.283 4.923 4.640 -0.001 0.000 0.232 48 D C 0.704 177.126 176.300 0.203 0.000 1.275 48 D CA 1.249 55.489 54.000 0.400 0.000 0.882 48 D CB 0.899 41.888 40.800 0.315 0.000 1.221 48 D HN 0.893 nan 8.370 nan 0.000 0.485 49 G N -1.024 107.845 108.800 0.116 0.000 2.673 49 G HA2 0.403 4.362 3.960 -0.001 0.000 0.185 49 G HA3 0.403 4.362 3.960 -0.001 0.000 0.185 49 G C -0.821 174.107 174.900 0.048 0.000 1.731 49 G CA 0.217 45.359 45.100 0.071 0.000 0.788 49 G HN 0.630 nan 8.290 nan 0.000 0.793 50 S N -1.580 114.130 115.700 0.017 0.000 2.541 50 S HA 0.385 4.854 4.470 -0.001 0.000 0.271 50 S C 0.136 174.748 174.600 0.019 0.000 1.133 50 S CA -0.421 57.799 58.200 0.033 0.000 0.876 50 S CB 1.711 64.921 63.200 0.017 0.000 1.105 50 S HN 0.658 nan 8.310 nan 0.000 0.470 51 Y N 2.328 122.616 120.300 -0.021 0.000 2.333 51 Y HA -0.051 4.498 4.550 -0.001 0.000 0.290 51 Y C 1.920 177.799 175.900 -0.035 0.000 1.144 51 Y CA 1.854 59.942 58.100 -0.019 0.000 1.228 51 Y CB -0.352 38.100 38.460 -0.014 0.000 0.985 51 Y HN 0.712 nan 8.280 nan 0.000 0.542 52 M N -0.367 119.245 119.600 0.020 0.000 2.193 52 M HA -0.046 4.434 4.480 -0.001 0.000 0.265 52 M C 0.404 176.639 176.300 -0.109 0.000 1.071 52 M CA 1.539 56.800 55.300 -0.066 0.000 1.140 52 M CB 0.162 32.742 32.600 -0.034 0.000 1.369 52 M HN -0.158 nan 8.290 nan 0.000 0.423 53 K N 0.972 121.323 120.400 -0.081 0.000 2.753 53 K HA 0.342 4.661 4.320 -0.001 0.000 0.185 53 K C -2.608 173.928 176.600 -0.106 0.000 1.071 53 K CA -1.600 54.640 56.287 -0.079 0.000 0.999 53 K CB 1.359 33.835 32.500 -0.039 0.000 1.244 53 K HN -0.084 nan 8.250 nan 0.000 0.594 54 P HA -0.046 nan 4.420 nan 0.000 0.269 54 P C -0.050 177.034 177.300 -0.360 0.000 1.209 54 P CA -0.046 62.913 63.100 -0.235 0.000 0.776 54 P CB 0.702 32.243 31.700 -0.266 0.000 0.876 55 T N 1.195 115.589 114.554 -0.267 0.000 2.856 55 T HA 0.190 4.540 4.350 -0.001 0.000 0.292 55 T C 0.708 175.246 174.700 -0.270 0.000 0.980 55 T CA -0.017 61.961 62.100 -0.203 0.000 1.091 55 T CB 0.007 68.882 68.868 0.013 0.000 0.936 55 T HN 0.381 nan 8.240 nan 0.000 0.503 56 H N 1.168 120.301 119.070 0.105 0.000 2.582 56 H HA 0.127 4.682 4.556 -0.001 0.000 0.269 56 H C 2.363 177.781 175.328 0.149 0.000 0.962 56 H CA 0.967 57.081 56.048 0.109 0.000 1.230 56 H CB 0.373 30.190 29.762 0.092 0.000 1.445 56 H HN 0.690 nan 8.280 nan 0.000 0.528 57 T N -0.780 113.945 114.554 0.285 0.000 2.951 57 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 57 T C 0.727 175.634 174.700 0.344 0.000 1.073 57 T CA 1.163 63.439 62.100 0.294 0.000 1.134 57 T CB -0.060 68.975 68.868 0.278 0.000 0.884 57 T HN 0.605 nan 8.240 nan 0.000 0.479 58 H N -1.568 117.574 119.070 0.120 0.000 2.849 58 H HA 0.427 4.983 4.556 -0.001 0.000 0.271 58 H C -2.066 173.363 175.328 0.168 0.000 1.461 58 H CA -0.923 55.211 56.048 0.142 0.000 1.146 58 H CB 0.341 30.198 29.762 0.158 0.000 1.834 58 H HN 0.052 nan 8.280 nan 0.000 0.555 59 D N 2.146 122.582 120.400 0.060 0.000 2.339 59 D HA 0.174 4.813 4.640 -0.001 0.000 0.256 59 D C -1.495 174.823 176.300 0.031 0.000 1.214 59 D CA -2.095 51.961 54.000 0.093 0.000 0.877 59 D CB 1.271 42.300 40.800 0.383 0.000 1.111 59 D HN 0.229 nan 8.370 nan 0.000 0.478 60 P HA -0.065 nan 4.420 nan 0.000 0.221 60 P C 0.433 177.842 177.300 0.182 0.000 1.155 60 P CA 0.788 63.943 63.100 0.092 0.000 0.812 60 P CB 0.282 32.022 31.700 0.067 0.000 0.801 61 H N -0.418 118.643 119.070 -0.015 0.000 2.640 61 H HA 0.077 4.632 4.556 -0.001 0.000 0.312 61 H C 0.170 175.564 175.328 0.110 0.000 1.110 61 H CA -0.575 55.429 56.048 -0.072 0.000 1.098 61 H CB -0.662 29.134 29.762 0.057 0.000 1.485 61 H HN 0.391 nan 8.280 nan 0.000 0.526 62 H N -0.883 118.423 119.070 0.393 0.000 3.107 62 H HA 0.015 4.571 4.556 -0.001 0.000 0.301 62 H C 1.320 176.931 175.328 0.471 0.000 0.981 62 H CA -0.251 56.064 56.048 0.444 0.000 1.443 62 H CB 0.480 30.470 29.762 0.381 0.000 1.479 62 H HN 0.059 nan 8.280 nan 0.000 0.564 63 V N 0.285 120.501 119.914 0.503 0.000 2.407 63 V HA -0.041 4.079 4.120 -0.001 0.000 0.245 63 V C 1.222 177.381 176.094 0.108 0.000 1.041 63 V CA 0.596 62.994 62.300 0.164 0.000 1.040 63 V CB -0.576 31.248 31.823 0.002 0.000 0.671 63 V HN 0.527 nan 8.190 nan 0.000 0.455 64 M N 1.066 120.744 119.600 0.131 0.000 1.917 64 M HA 0.351 4.831 4.480 -0.001 0.000 0.208 64 M C -0.173 176.123 176.300 -0.008 0.000 1.215 64 M CA -0.549 54.675 55.300 -0.126 0.000 0.944 64 M CB -0.279 32.020 32.600 -0.503 0.000 1.225 64 M HN 0.289 nan 8.290 nan 0.000 0.519 65 D N 0.297 120.611 120.400 -0.143 0.000 2.399 65 D HA 0.010 4.649 4.640 -0.001 0.000 0.241 65 D C 0.620 176.916 176.300 -0.008 0.000 1.133 65 D CA -0.069 53.900 54.000 -0.052 0.000 0.890 65 D CB 0.210 40.988 40.800 -0.036 0.000 1.201 65 D HN 0.511 nan 8.370 nan 0.000 0.432 66 Q N 0.794 120.480 119.800 -0.189 0.000 2.029 66 Q HA -0.248 4.092 4.340 -0.001 0.000 0.209 66 Q C 0.596 176.613 176.000 0.028 0.000 0.999 66 Q CA 1.962 57.598 55.803 -0.278 0.000 0.857 66 Q CB 0.058 28.560 28.738 -0.393 0.000 0.926 66 Q HN 0.628 nan 8.270 nan 0.000 0.415 67 D N -0.864 119.538 120.400 0.003 0.000 2.325 67 D HA -0.100 4.540 4.640 -0.001 0.000 0.234 67 D C 1.116 177.464 176.300 0.080 0.000 1.122 67 D CA -0.113 53.906 54.000 0.030 0.000 0.850 67 D CB -0.450 40.331 40.800 -0.031 0.000 0.921 67 D HN 0.338 nan 8.370 nan 0.000 0.513 68 Y N 1.222 121.487 120.300 -0.057 0.000 2.097 68 Y HA -0.020 4.530 4.550 -0.001 0.000 0.282 68 Y C 0.035 175.805 175.900 -0.216 0.000 1.152 68 Y CA 0.953 58.931 58.100 -0.204 0.000 1.136 68 Y CB -0.164 38.084 38.460 -0.354 0.000 0.975 68 Y HN -0.140 nan 8.280 nan 0.000 0.498 69 F N 0.939 120.938 119.950 0.080 0.000 2.388 69 F HA 0.484 5.010 4.527 -0.001 0.000 0.358 69 F C -0.670 175.133 175.800 0.006 0.000 1.122 69 F CA -0.871 57.091 58.000 -0.063 0.000 1.056 69 F CB 1.325 40.307 39.000 -0.029 0.000 1.155 69 F HN -0.170 nan 8.300 nan 0.000 0.461 70 L N 2.847 124.144 121.223 0.123 0.000 2.472 70 L HA 0.862 5.201 4.340 -0.001 0.000 0.260 70 L C -0.734 176.191 176.870 0.092 0.000 0.963 70 L CA -0.675 54.232 54.840 0.113 0.000 0.829 70 L CB 1.741 43.842 42.059 0.070 0.000 1.348 70 L HN 0.599 nan 8.230 nan 0.000 0.408 71 A N 1.961 124.852 122.820 0.118 0.000 2.386 71 A HA 0.495 4.814 4.320 -0.001 0.000 0.248 71 A C 1.006 178.684 177.584 0.156 0.000 1.082 71 A CA 0.420 52.544 52.037 0.145 0.000 0.789 71 A CB 0.287 19.388 19.000 0.168 0.000 1.025 71 A HN 1.130 nan 8.150 nan 0.000 0.490 72 S N 0.567 116.404 115.700 0.227 0.000 2.421 72 S HA 0.490 4.960 4.470 -0.001 0.000 0.224 72 S C 0.652 175.437 174.600 0.309 0.000 1.035 72 S CA 0.722 59.066 58.200 0.239 0.000 0.953 72 S CB -0.188 63.216 63.200 0.339 0.000 0.810 72 S HN 2.066 nan 8.310 nan 0.000 0.497 73 A N 0.275 123.283 122.820 0.312 0.000 2.604 73 A HA 0.721 5.041 4.320 -0.001 0.000 0.295 73 A C -1.305 176.374 177.584 0.159 0.000 1.067 73 A CA -0.861 51.326 52.037 0.251 0.000 0.683 73 A CB 0.884 20.053 19.000 0.283 0.000 1.281 73 A HN 0.349 nan 8.150 nan 0.000 0.407 74 I N 1.453 122.098 120.570 0.125 0.000 2.336 74 I HA 0.503 4.673 4.170 -0.001 0.000 0.292 74 I C -0.871 175.265 176.117 0.032 0.000 0.991 74 I CA -0.839 60.514 61.300 0.089 0.000 1.227 74 I CB 1.715 39.782 38.000 0.112 0.000 1.366 74 I HN 0.298 nan 8.210 nan 0.000 0.466 75 V N 5.666 125.580 119.914 -0.001 0.000 2.525 75 V HA 0.473 4.592 4.120 -0.001 0.000 0.299 75 V C 0.116 176.173 176.094 -0.060 0.000 1.034 75 V CA -0.612 61.664 62.300 -0.040 0.000 0.863 75 V CB 1.772 33.555 31.823 -0.067 0.000 0.999 75 V HN 0.823 nan 8.190 nan 0.000 0.423 76 A N 7.851 130.632 122.820 -0.065 0.000 2.621 76 A HA 0.685 5.004 4.320 -0.001 0.000 0.329 76 A C -2.338 175.205 177.584 -0.068 0.000 1.458 76 A CA -1.560 50.434 52.037 -0.073 0.000 1.052 76 A CB -0.003 18.953 19.000 -0.074 0.000 1.142 76 A HN 0.559 nan 8.150 nan 0.000 0.523 77 P HA 0.055 nan 4.420 nan 0.000 0.264 77 P C 0.075 177.341 177.300 -0.056 0.000 1.193 77 P CA 0.118 63.178 63.100 -0.066 0.000 0.763 77 P CB 0.807 32.468 31.700 -0.065 0.000 0.810 78 R N 2.175 122.644 120.500 -0.052 0.000 2.200 78 R HA 0.081 4.420 4.340 -0.001 0.000 0.208 78 R C 1.098 177.375 176.300 -0.038 0.000 1.033 78 R CA 0.625 56.700 56.100 -0.042 0.000 1.000 78 R CB -0.367 29.910 30.300 -0.038 0.000 0.906 78 R HN 0.697 nan 8.270 nan 0.000 0.462 79 N N -3.442 115.233 118.700 -0.041 0.000 3.261 79 N HA 0.047 4.787 4.740 -0.001 0.000 0.248 79 N C 0.029 175.515 175.510 -0.040 0.000 1.498 79 N CA -0.659 52.369 53.050 -0.036 0.000 0.884 79 N CB 0.976 39.444 38.487 -0.032 0.000 1.428 79 N HN -0.301 nan 8.380 nan 0.000 0.517 80 V N 0.078 119.970 119.914 -0.037 0.000 2.469 80 V HA -0.245 3.875 4.120 -0.001 0.000 0.251 80 V C 2.656 178.723 176.094 -0.045 0.000 1.064 80 V CA 2.585 64.860 62.300 -0.041 0.000 1.066 80 V CB -1.361 30.436 31.823 -0.042 0.000 0.667 80 V HN 0.808 nan 8.190 nan 0.000 0.461 81 A N 0.187 122.980 122.820 -0.044 0.000 1.908 81 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 81 A C 1.961 179.514 177.584 -0.052 0.000 1.181 81 A CA 2.079 54.089 52.037 -0.046 0.000 0.627 81 A CB -0.612 18.362 19.000 -0.043 0.000 0.818 81 A HN 0.545 nan 8.150 nan 0.000 0.445 82 D N -0.124 120.242 120.400 -0.056 0.000 2.123 82 D HA -0.119 4.521 4.640 -0.001 0.000 0.196 82 D C 2.040 178.298 176.300 -0.071 0.000 0.992 82 D CA 1.480 55.439 54.000 -0.068 0.000 0.833 82 D CB -0.650 40.108 40.800 -0.070 0.000 0.954 82 D HN 0.233 nan 8.370 nan 0.000 0.455 83 V N 0.848 120.725 119.914 -0.061 0.000 2.287 83 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 83 V C 2.456 178.520 176.094 -0.050 0.000 1.053 83 V CA 1.789 64.055 62.300 -0.056 0.000 1.027 83 V CB -0.678 31.115 31.823 -0.050 0.000 0.646 83 V HN 0.224 nan 8.190 nan 0.000 0.447 84 Q N -0.332 119.440 119.800 -0.047 0.000 2.181 84 Q HA -0.186 4.154 4.340 -0.001 0.000 0.205 84 Q C 2.506 178.482 176.000 -0.041 0.000 0.980 84 Q CA 1.902 57.682 55.803 -0.038 0.000 0.862 84 Q CB -0.246 28.469 28.738 -0.037 0.000 0.905 84 Q HN 0.602 nan 8.270 nan 0.000 0.429 85 S N 0.416 116.081 115.700 -0.057 0.000 2.371 85 S HA -0.054 4.416 4.470 -0.001 0.000 0.224 85 S C 1.904 176.445 174.600 -0.099 0.000 1.029 85 S CA 0.737 58.893 58.200 -0.073 0.000 0.978 85 S CB -0.071 63.077 63.200 -0.086 0.000 0.833 85 S HN 0.282 nan 8.310 nan 0.000 0.466 86 I N 1.167 121.671 120.570 -0.111 0.000 2.226 86 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 86 I C 2.105 178.183 176.117 -0.065 0.000 1.100 86 I CA 0.853 62.065 61.300 -0.146 0.000 1.374 86 I CB -0.449 37.471 38.000 -0.135 0.000 1.057 86 I HN 0.127 nan 8.210 nan 0.000 0.413 87 V N 1.166 121.067 119.914 -0.022 0.000 2.469 87 V HA -0.233 3.887 4.120 -0.001 0.000 0.251 87 V C 2.551 178.674 176.094 0.049 0.000 1.064 87 V CA 2.137 64.453 62.300 0.027 0.000 1.066 87 V CB -1.412 30.421 31.823 0.015 0.000 0.667 87 V HN 0.594 nan 8.190 nan 0.000 0.461 88 G N -0.501 108.311 108.800 0.020 0.000 2.404 88 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.215 88 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.215 88 G C 1.601 176.552 174.900 0.086 0.000 1.174 88 G CA 0.753 45.876 45.100 0.039 0.000 0.780 88 G HN 0.456 nan 8.290 nan 0.000 0.537 89 L N 0.626 121.877 121.223 0.045 0.000 2.093 89 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 89 L C 3.389 180.470 176.870 0.351 0.000 1.085 89 L CA 0.944 55.847 54.840 0.105 0.000 0.755 89 L CB -0.278 41.613 42.059 -0.280 0.000 0.904 89 L HN 0.311 nan 8.230 nan 0.000 0.435 90 A N 0.072 123.068 122.820 0.293 0.000 1.933 90 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 90 A C 1.948 179.774 177.584 0.404 0.000 1.175 90 A CA 2.132 54.473 52.037 0.506 0.000 0.628 90 A CB -0.746 18.462 19.000 0.347 0.000 0.814 90 A HN 0.505 nan 8.150 nan 0.000 0.444 91 N N -0.991 117.864 118.700 0.259 0.000 2.396 91 N HA -0.085 4.655 4.740 -0.001 0.000 0.180 91 N C 1.749 177.374 175.510 0.192 0.000 1.028 91 N CA 1.097 54.262 53.050 0.191 0.000 0.893 91 N CB -0.070 38.487 38.487 0.117 0.000 0.967 91 N HN 0.581 nan 8.380 nan 0.000 0.440 92 K N 0.223 120.774 120.400 0.252 0.000 2.001 92 K HA -0.046 4.274 4.320 -0.001 0.000 0.208 92 K C 0.600 177.225 176.600 0.042 0.000 1.048 92 K CA 1.220 57.580 56.287 0.122 0.000 0.932 92 K CB 0.002 32.581 32.500 0.131 0.000 0.715 92 K HN 0.085 nan 8.250 nan 0.000 0.437 93 F N 0.962 121.053 119.950 0.235 0.000 2.797 93 F HA 0.185 4.711 4.527 -0.001 0.000 0.302 93 F C 0.622 176.515 175.800 0.156 0.000 1.130 93 F CA 0.142 58.275 58.000 0.221 0.000 1.387 93 F CB 0.291 39.513 39.000 0.369 0.000 1.107 93 F HN -0.100 nan 8.300 nan 0.000 0.577 94 S N 0.055 115.954 115.700 0.332 0.000 3.749 94 S HA -0.247 4.223 4.470 -0.001 0.000 0.348 94 S C -0.124 174.597 174.600 0.202 0.000 1.045 94 S CA -0.053 58.279 58.200 0.220 0.000 1.051 94 S CB -2.082 61.189 63.200 0.118 0.000 0.898 94 S HN 0.273 nan 8.310 nan 0.000 0.472 95 F N 2.759 122.802 119.950 0.155 0.000 2.410 95 F HA 0.521 5.047 4.527 -0.001 0.000 0.349 95 F C -2.259 173.600 175.800 0.097 0.000 1.117 95 F CA -2.135 55.870 58.000 0.009 0.000 1.104 95 F CB 0.980 39.791 39.000 -0.315 0.000 1.122 95 F HN -0.074 nan 8.300 nan 0.000 0.483 96 P HA 0.330 nan 4.420 nan 0.000 0.286 96 P C -0.975 176.526 177.300 0.335 0.000 1.261 96 P CA -0.369 62.915 63.100 0.307 0.000 0.821 96 P CB 1.103 32.929 31.700 0.209 0.000 1.013 97 L N 2.119 123.479 121.223 0.229 0.000 2.343 97 L HA 0.505 4.844 4.340 -0.001 0.000 0.275 97 L C -0.143 176.854 176.870 0.212 0.000 1.056 97 L CA -0.413 54.538 54.840 0.185 0.000 0.804 97 L CB 1.495 43.617 42.059 0.104 0.000 1.203 97 L HN 0.445 nan 8.230 nan 0.000 0.440 98 W N 5.832 127.142 121.300 0.016 0.000 2.563 98 W HA 0.327 4.987 4.660 -0.001 0.000 0.301 98 W C -2.746 173.764 176.519 -0.015 0.000 1.006 98 W CA -1.699 55.637 57.345 -0.015 0.000 1.382 98 W CB 2.001 31.458 29.460 -0.006 0.000 1.262 98 W HN 0.212 nan 8.180 nan 0.000 0.403 99 P HA 0.265 nan 4.420 nan 0.000 0.282 99 P C -0.453 176.665 177.300 -0.304 0.000 1.262 99 P CA 0.284 63.235 63.100 -0.248 0.000 0.773 99 P CB 1.454 33.006 31.700 -0.247 0.000 0.879 100 I N -0.992 119.505 120.570 -0.122 0.000 2.828 100 I HA 0.519 4.689 4.170 -0.001 0.000 0.302 100 I C 0.324 176.412 176.117 -0.049 0.000 1.101 100 I CA -0.793 60.471 61.300 -0.060 0.000 1.031 100 I CB 2.181 40.232 38.000 0.085 0.000 1.231 100 I HN -0.023 nan 8.210 nan 0.000 0.427 101 S N 2.991 118.672 115.700 -0.031 0.000 2.398 101 S HA 0.324 4.794 4.470 -0.001 0.000 0.220 101 S C 1.208 175.806 174.600 -0.003 0.000 1.046 101 S CA 0.620 58.801 58.200 -0.032 0.000 0.953 101 S CB 0.201 63.379 63.200 -0.037 0.000 0.856 101 S HN 0.697 nan 8.310 nan 0.000 0.506 102 I N -0.871 119.721 120.570 0.037 0.000 4.770 102 I HA 0.252 4.422 4.170 -0.001 0.000 0.327 102 I C 1.574 177.775 176.117 0.140 0.000 1.271 102 I CA 0.975 62.320 61.300 0.076 0.000 1.320 102 I CB -0.219 37.806 38.000 0.041 0.000 1.319 102 I HN 0.469 nan 8.210 nan 0.000 0.462 103 G N 2.070 110.945 108.800 0.125 0.000 2.157 103 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.248 103 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.248 103 G C 0.882 175.823 174.900 0.068 0.000 0.979 103 G CA 0.152 45.339 45.100 0.145 0.000 0.650 103 G HN 0.347 nan 8.290 nan 0.000 0.529 104 R N 0.078 120.612 120.500 0.058 0.000 2.547 104 R HA 0.162 4.502 4.340 -0.001 0.000 0.258 104 R C 1.106 177.499 176.300 0.155 0.000 1.115 104 R CA -0.118 56.016 56.100 0.057 0.000 1.152 104 R CB -0.168 30.138 30.300 0.009 0.000 1.221 104 R HN 0.165 nan 8.270 nan 0.000 0.539 105 N N 0.639 119.430 118.700 0.153 0.000 2.542 105 N HA 0.008 4.747 4.740 -0.001 0.000 0.234 105 N C -0.708 174.929 175.510 0.212 0.000 1.257 105 N CA 0.142 53.328 53.050 0.228 0.000 0.883 105 N CB 0.081 38.693 38.487 0.208 0.000 1.197 105 N HN 0.029 nan 8.380 nan 0.000 0.488 106 S N -1.142 114.626 115.700 0.114 0.000 2.566 106 S HA 0.332 4.802 4.470 -0.001 0.000 0.280 106 S C 1.518 176.063 174.600 -0.093 0.000 1.343 106 S CA 0.506 58.659 58.200 -0.078 0.000 1.036 106 S CB 0.712 63.715 63.200 -0.329 0.000 0.866 106 S HN 0.595 nan 8.310 nan 0.000 0.526 107 G N 0.774 109.380 108.800 -0.323 0.000 2.268 107 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.240 107 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.240 107 G C 0.283 175.032 174.900 -0.251 0.000 1.010 107 G CA 0.438 45.135 45.100 -0.671 0.000 0.618 107 G HN 0.694 nan 8.290 nan 0.000 0.516 108 Y N -0.265 120.187 120.300 0.253 0.000 2.610 108 Y HA 0.478 5.028 4.550 -0.001 0.000 0.254 108 Y C 1.929 177.753 175.900 -0.127 0.000 1.110 108 Y CA 0.375 58.600 58.100 0.209 0.000 1.238 108 Y CB 1.316 39.851 38.460 0.126 0.000 1.322 108 Y HN 1.006 nan 8.280 nan 0.000 0.547 109 G N -1.207 107.623 108.800 0.049 0.000 2.624 109 G HA2 0.181 4.141 3.960 -0.001 0.000 0.190 109 G HA3 0.181 4.141 3.960 -0.001 0.000 0.190 109 G C 0.845 175.738 174.900 -0.010 0.000 1.008 109 G CA 0.016 44.999 45.100 -0.195 0.000 0.731 109 G HN 0.913 nan 8.290 nan 0.000 0.478 110 G N 0.218 109.052 108.800 0.057 0.000 2.539 110 G HA2 0.203 4.162 3.960 -0.001 0.000 0.256 110 G HA3 0.203 4.162 3.960 -0.001 0.000 0.256 110 G C 1.306 176.265 174.900 0.098 0.000 1.233 110 G CA 1.966 47.094 45.100 0.046 0.000 0.936 110 G HN 1.849 nan 8.290 nan 0.000 0.571 111 A N 0.132 123.010 122.820 0.096 0.000 2.119 111 A HA 0.594 4.913 4.320 -0.001 0.000 0.217 111 A C 1.965 179.652 177.584 0.170 0.000 1.153 111 A CA 1.949 54.104 52.037 0.197 0.000 0.692 111 A CB -0.849 18.275 19.000 0.207 0.000 0.799 111 A HN 2.538 nan 8.150 nan 0.000 0.458 112 A N 1.249 124.079 122.820 0.017 0.000 2.540 112 A HA 0.455 4.774 4.320 -0.001 0.000 0.239 112 A C -2.305 174.857 177.584 -0.702 0.000 1.061 112 A CA -0.790 51.150 52.037 -0.161 0.000 0.758 112 A CB -0.221 18.747 19.000 -0.053 0.000 0.991 112 A HN 0.309 nan 8.150 nan 0.000 0.502 113 P HA 0.202 nan 4.420 nan 0.000 0.284 113 P C 0.556 177.113 177.300 -1.238 0.000 1.253 113 P CA -0.595 61.425 63.100 -1.800 0.000 0.800 113 P CB 1.093 32.418 31.700 -0.625 0.000 0.961 114 R N 1.716 121.355 120.500 -1.434 0.000 2.081 114 R HA -0.008 4.332 4.340 -0.001 0.000 0.235 114 R C 0.123 176.374 176.300 -0.081 0.000 1.131 114 R CA 1.183 56.933 56.100 -0.583 0.000 0.960 114 R CB -0.458 29.595 30.300 -0.411 0.000 0.856 114 R HN 0.329 nan 8.270 nan 0.000 0.436 115 V N 2.185 122.011 119.914 -0.146 0.000 2.348 115 V HA 0.097 4.217 4.120 -0.001 0.000 0.270 115 V C 0.085 176.205 176.094 0.043 0.000 1.037 115 V CA -0.234 62.062 62.300 -0.008 0.000 0.872 115 V CB 1.427 33.140 31.823 -0.184 0.000 1.002 115 V HN 0.177 nan 8.190 nan 0.000 0.464 116 S N 3.589 119.361 115.700 0.121 0.000 2.572 116 S HA 0.463 4.932 4.470 -0.001 0.000 0.279 116 S C 1.316 175.975 174.600 0.099 0.000 1.341 116 S CA 0.520 58.767 58.200 0.078 0.000 1.043 116 S CB 1.005 64.217 63.200 0.020 0.000 0.887 116 S HN 1.456 nan 8.310 nan 0.000 0.516 117 G N 1.790 110.647 108.800 0.096 0.000 2.194 117 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.236 117 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.236 117 G C 0.255 175.290 174.900 0.225 0.000 0.987 117 G CA 0.064 45.230 45.100 0.110 0.000 0.635 117 G HN 0.706 nan 8.290 nan 0.000 0.520 118 S N -0.571 115.263 115.700 0.223 0.000 2.589 118 S HA 0.490 4.960 4.470 -0.001 0.000 0.265 118 S C 0.683 175.511 174.600 0.380 0.000 1.342 118 S CA -0.088 58.313 58.200 0.335 0.000 1.005 118 S CB 1.930 65.274 63.200 0.240 0.000 0.909 118 S HN 0.673 nan 8.310 nan 0.000 0.555 119 V N 2.411 122.537 119.914 0.354 0.000 2.465 119 V HA 0.234 4.353 4.120 -0.001 0.000 0.279 119 V C -0.022 176.186 176.094 0.190 0.000 1.045 119 V CA -0.485 61.917 62.300 0.171 0.000 0.938 119 V CB 1.441 33.231 31.823 -0.054 0.000 0.986 119 V HN 0.620 nan 8.190 nan 0.000 0.467 120 V N 6.374 126.394 119.914 0.176 0.000 2.432 120 V HA 0.281 4.401 4.120 -0.001 0.000 0.275 120 V C -0.077 176.079 176.094 0.103 0.000 1.043 120 V CA -0.424 61.996 62.300 0.200 0.000 0.925 120 V CB 1.444 33.406 31.823 0.232 0.000 0.985 120 V HN 0.603 nan 8.190 nan 0.000 0.466 121 L N 6.464 127.734 121.223 0.077 0.000 2.272 121 L HA 0.410 4.749 4.340 -0.001 0.000 0.284 121 L C 0.231 177.071 176.870 -0.050 0.000 1.045 121 L CA -0.176 54.662 54.840 -0.003 0.000 0.842 121 L CB 0.896 42.945 42.059 -0.015 0.000 1.224 121 L HN 0.764 nan 8.230 nan 0.000 0.430 122 D N 4.959 125.294 120.400 -0.108 0.000 2.393 122 D HA 0.016 4.656 4.640 -0.001 0.000 0.232 122 D C 0.902 177.124 176.300 -0.131 0.000 1.192 122 D CA -0.438 53.453 54.000 -0.181 0.000 0.882 122 D CB 1.084 41.617 40.800 -0.445 0.000 1.038 122 D HN 0.401 nan 8.370 nan 0.000 0.499 123 M N 2.632 122.174 119.600 -0.095 0.000 2.117 123 M HA -0.035 4.445 4.480 -0.001 0.000 0.262 123 M C 2.237 178.495 176.300 -0.070 0.000 1.065 123 M CA 1.305 56.559 55.300 -0.076 0.000 1.114 123 M CB -1.275 31.284 32.600 -0.069 0.000 1.361 123 M HN 0.590 nan 8.290 nan 0.000 0.408 124 G N 0.342 109.100 108.800 -0.070 0.000 2.462 124 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 124 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 124 G C 1.751 176.622 174.900 -0.048 0.000 1.121 124 G CA 1.083 46.152 45.100 -0.052 0.000 0.758 124 G HN 0.486 nan 8.290 nan 0.000 0.559 125 K N 0.404 120.762 120.400 -0.070 0.000 1.991 125 K HA -0.111 4.209 4.320 -0.001 0.000 0.212 125 K C 2.047 178.627 176.600 -0.033 0.000 1.049 125 K CA 1.539 57.797 56.287 -0.048 0.000 0.932 125 K CB -0.160 32.301 32.500 -0.065 0.000 0.717 125 K HN 0.223 nan 8.250 nan 0.000 0.441 126 N N -0.079 118.596 118.700 -0.040 0.000 2.405 126 N HA 0.019 4.759 4.740 -0.001 0.000 0.175 126 N C 0.480 175.973 175.510 -0.028 0.000 1.051 126 N CA 0.558 53.590 53.050 -0.031 0.000 0.899 126 N CB 0.331 38.797 38.487 -0.034 0.000 1.000 126 N HN 0.249 nan 8.380 nan 0.000 0.451 127 M N 0.984 120.563 119.600 -0.035 0.000 3.443 127 M HA 0.175 4.655 4.480 -0.001 0.000 0.228 127 M C 0.169 176.450 176.300 -0.032 0.000 1.227 127 M CA 0.006 55.286 55.300 -0.032 0.000 1.321 127 M CB -0.532 32.046 32.600 -0.036 0.000 1.134 127 M HN -0.008 nan 8.290 nan 0.000 0.567 128 N N 0.412 119.097 118.700 -0.026 0.000 2.461 128 N HA 0.044 4.783 4.740 -0.001 0.000 0.188 128 N C -0.172 175.319 175.510 -0.031 0.000 1.134 128 N CA -0.029 53.006 53.050 -0.024 0.000 0.878 128 N CB 0.390 38.871 38.487 -0.009 0.000 0.972 128 N HN 0.412 nan 8.380 nan 0.000 0.456 129 R N 0.843 121.322 120.500 -0.035 0.000 2.438 129 R HA 0.207 4.547 4.340 -0.001 0.000 0.287 129 R C -0.401 175.837 176.300 -0.103 0.000 1.077 129 R CA -0.331 55.739 56.100 -0.050 0.000 1.034 129 R CB 1.224 31.506 30.300 -0.030 0.000 0.993 129 R HN -0.104 nan 8.270 nan 0.000 0.459 130 V N 5.758 125.572 119.914 -0.168 0.000 2.387 130 V HA -0.005 4.115 4.120 -0.001 0.000 0.260 130 V C 1.445 177.391 176.094 -0.246 0.000 1.054 130 V CA 0.209 62.313 62.300 -0.326 0.000 0.967 130 V CB 0.485 31.848 31.823 -0.767 0.000 1.036 130 V HN 0.731 nan 8.190 nan 0.000 0.481 131 L N 3.419 124.541 121.223 -0.168 0.000 2.313 131 L HA 0.256 4.595 4.340 -0.001 0.000 0.214 131 L C 0.955 177.779 176.870 -0.078 0.000 1.119 131 L CA 0.887 55.678 54.840 -0.082 0.000 0.809 131 L CB 0.043 42.090 42.059 -0.019 0.000 0.933 131 L HN 0.748 nan 8.230 nan 0.000 0.449 132 E N -0.965 119.148 120.200 -0.145 0.000 2.419 132 E HA 0.277 4.626 4.350 -0.001 0.000 0.285 132 E C -1.853 174.666 176.600 -0.134 0.000 1.079 132 E CA -0.412 55.932 56.400 -0.094 0.000 0.864 132 E CB 1.930 31.620 29.700 -0.017 0.000 1.216 132 E HN -0.266 nan 8.360 nan 0.000 0.428 133 V N 4.011 123.865 119.914 -0.100 0.000 2.419 133 V HA 0.355 4.475 4.120 -0.001 0.000 0.287 133 V C -0.473 175.507 176.094 -0.191 0.000 1.017 133 V CA -0.898 61.344 62.300 -0.098 0.000 0.844 133 V CB 1.488 33.355 31.823 0.074 0.000 1.011 133 V HN 0.562 nan 8.190 nan 0.000 0.429 134 N N 4.058 122.482 118.700 -0.461 0.000 2.457 134 N HA 0.245 4.985 4.740 -0.001 0.000 0.250 134 N C 0.705 175.970 175.510 -0.408 0.000 0.982 134 N CA -0.152 52.532 53.050 -0.609 0.000 0.941 134 N CB 2.170 39.892 38.487 -1.276 0.000 1.120 134 N HN 0.342 nan 8.380 nan 0.000 0.505 135 V N 4.222 124.002 119.914 -0.223 0.000 2.379 135 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 135 V C 2.283 178.300 176.094 -0.128 0.000 1.044 135 V CA 2.044 64.258 62.300 -0.143 0.000 1.036 135 V CB -0.523 31.244 31.823 -0.092 0.000 0.664 135 V HN 0.783 nan 8.190 nan 0.000 0.453 136 E N 1.336 121.464 120.200 -0.120 0.000 2.072 136 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 136 E C 2.205 178.762 176.600 -0.071 0.000 0.985 136 E CA 1.512 57.864 56.400 -0.081 0.000 0.801 136 E CB -0.706 28.961 29.700 -0.054 0.000 0.750 136 E HN 0.470 nan 8.360 nan 0.000 0.452 137 G N 0.803 109.551 108.800 -0.087 0.000 2.572 137 G HA2 0.120 4.079 3.960 -0.001 0.000 0.216 137 G HA3 0.120 4.079 3.960 -0.001 0.000 0.216 137 G C 0.877 175.794 174.900 0.029 0.000 1.133 137 G CA 0.256 45.377 45.100 0.035 0.000 0.791 137 G HN 0.721 nan 8.290 nan 0.000 0.538 138 A N -1.673 121.090 122.820 -0.095 0.000 2.578 138 A HA 0.032 4.352 4.320 -0.001 0.000 0.298 138 A C 0.096 177.749 177.584 0.116 0.000 1.472 138 A CA 1.273 53.286 52.037 -0.039 0.000 0.734 138 A CB -2.564 16.410 19.000 -0.043 0.000 1.091 138 A HN 1.919 nan 8.150 nan 0.000 0.426 139 Y N -3.025 117.304 120.300 0.048 0.000 2.689 139 Y HA 0.757 5.307 4.550 -0.001 0.000 0.333 139 Y C -0.061 175.825 175.900 -0.024 0.000 1.190 139 Y CA -1.649 56.503 58.100 0.085 0.000 1.063 139 Y CB 0.172 38.735 38.460 0.172 0.000 1.294 139 Y HN 1.291 nan 8.280 nan 0.000 0.466 140 C N 0.093 119.523 119.300 0.217 0.000 3.080 140 C HA 0.963 5.422 4.460 -0.001 0.000 0.307 140 C C -1.283 173.660 174.990 -0.079 0.000 1.311 140 C CA -1.117 57.911 59.018 0.018 0.000 1.533 140 C CB 1.274 28.974 27.740 -0.068 0.000 1.970 140 C HN 0.874 nan 8.230 nan 0.000 0.467 141 V N 1.208 121.002 119.914 -0.200 0.000 2.638 141 V HA 0.860 4.980 4.120 -0.001 0.000 0.306 141 V C -0.487 175.468 176.094 -0.231 0.000 1.052 141 V CA -0.280 61.802 62.300 -0.363 0.000 0.885 141 V CB 1.511 33.030 31.823 -0.506 0.000 0.999 141 V HN 1.048 nan 8.190 nan 0.000 0.424 142 V N 3.939 123.733 119.914 -0.201 0.000 3.114 142 V HA 0.615 4.735 4.120 -0.001 0.000 0.308 142 V C -0.760 175.280 176.094 -0.089 0.000 1.168 142 V CA -0.416 61.797 62.300 -0.144 0.000 1.015 142 V CB 2.676 34.402 31.823 -0.162 0.000 1.050 142 V HN 0.978 nan 8.190 nan 0.000 0.433 143 E N 4.313 124.468 120.200 -0.076 0.000 2.250 143 E HA 0.359 4.708 4.350 -0.001 0.000 0.269 143 E C -1.971 174.590 176.600 -0.066 0.000 1.018 143 E CA -1.692 54.677 56.400 -0.052 0.000 0.873 143 E CB 1.780 31.457 29.700 -0.038 0.000 1.134 143 E HN 0.485 nan 8.360 nan 0.000 0.403 144 P HA -0.161 nan 4.420 nan 0.000 0.216 144 P C 1.200 178.464 177.300 -0.059 0.000 1.153 144 P CA 1.235 64.298 63.100 -0.061 0.000 0.858 144 P CB 0.041 31.708 31.700 -0.055 0.000 0.789 145 G N -0.608 108.163 108.800 -0.049 0.000 2.653 145 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.212 145 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.212 145 G C 0.357 175.235 174.900 -0.038 0.000 1.138 145 G CA 0.039 45.118 45.100 -0.035 0.000 0.782 145 G HN 0.210 nan 8.290 nan 0.000 0.535 146 V N 2.633 122.507 119.914 -0.065 0.000 2.370 146 V HA 0.225 4.344 4.120 -0.001 0.000 0.257 146 V C 1.056 177.086 176.094 -0.107 0.000 1.064 146 V CA -0.104 62.150 62.300 -0.077 0.000 0.975 146 V CB -0.166 31.591 31.823 -0.109 0.000 1.067 146 V HN 0.392 nan 8.190 nan 0.000 0.485 147 T N 1.704 116.236 114.554 -0.038 0.000 2.788 147 T HA 0.274 4.623 4.350 -0.001 0.000 0.280 147 T C 0.985 175.684 174.700 -0.002 0.000 0.984 147 T CA -0.194 61.892 62.100 -0.022 0.000 0.972 147 T CB 0.690 69.628 68.868 0.117 0.000 1.039 147 T HN 0.350 nan 8.240 nan 0.000 0.530 148 Y N -0.370 119.996 120.300 0.110 0.000 2.181 148 Y HA -0.061 4.489 4.550 -0.001 0.000 0.288 148 Y C 2.849 178.825 175.900 0.127 0.000 1.146 148 Y CA 2.035 60.187 58.100 0.087 0.000 1.164 148 Y CB -1.001 37.496 38.460 0.062 0.000 0.982 148 Y HN 0.902 nan 8.280 nan 0.000 0.515 149 H N -0.204 119.028 119.070 0.270 0.000 2.319 149 H HA -0.167 4.389 4.556 -0.001 0.000 0.299 149 H C 1.866 177.337 175.328 0.239 0.000 1.092 149 H CA 2.073 58.264 56.048 0.239 0.000 1.302 149 H CB -0.125 29.805 29.762 0.280 0.000 1.373 149 H HN 0.181 nan 8.280 nan 0.000 0.497 150 D N 0.011 120.609 120.400 0.330 0.000 2.106 150 D HA -0.171 4.469 4.640 -0.001 0.000 0.191 150 D C 2.254 178.673 176.300 0.199 0.000 0.997 150 D CA 1.045 55.178 54.000 0.222 0.000 0.834 150 D CB -0.567 40.313 40.800 0.133 0.000 0.956 150 D HN 0.249 nan 8.370 nan 0.000 0.448 151 L N 0.527 121.844 121.223 0.157 0.000 2.079 151 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 151 L C 2.199 179.190 176.870 0.202 0.000 1.081 151 L CA 1.801 56.723 54.840 0.136 0.000 0.752 151 L CB -0.672 41.425 42.059 0.063 0.000 0.896 151 L HN 0.231 nan 8.230 nan 0.000 0.433 152 H N -0.673 118.447 119.070 0.083 0.000 2.293 152 H HA -0.145 4.411 4.556 -0.001 0.000 0.300 152 H C 1.764 177.114 175.328 0.037 0.000 1.082 152 H CA 1.796 57.855 56.048 0.018 0.000 1.308 152 H CB 0.203 29.912 29.762 -0.088 0.000 1.375 152 H HN 0.399 nan 8.280 nan 0.000 0.495 153 N N 0.370 119.117 118.700 0.080 0.000 2.223 153 N HA -0.180 4.560 4.740 -0.001 0.000 0.185 153 N C 1.893 177.400 175.510 -0.005 0.000 1.016 153 N CA 1.048 54.107 53.050 0.015 0.000 0.863 153 N CB -0.798 37.784 38.487 0.159 0.000 0.983 153 N HN 0.483 nan 8.380 nan 0.000 0.429 154 Y N 1.731 122.018 120.300 -0.022 0.000 2.145 154 Y HA -0.086 4.464 4.550 -0.001 0.000 0.286 154 Y C 2.236 178.099 175.900 -0.061 0.000 1.145 154 Y CA 1.374 59.458 58.100 -0.027 0.000 1.148 154 Y CB -0.395 38.059 38.460 -0.011 0.000 0.981 154 Y HN -0.045 nan 8.280 nan 0.000 0.507 155 L N 0.194 121.439 121.223 0.036 0.000 2.083 155 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 155 L C 2.554 179.312 176.870 -0.187 0.000 1.083 155 L CA 1.914 56.714 54.840 -0.067 0.000 0.752 155 L CB -0.695 41.355 42.059 -0.014 0.000 0.899 155 L HN 0.375 nan 8.230 nan 0.000 0.433 156 E N 0.858 120.908 120.200 -0.249 0.000 2.023 156 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 156 E C 1.983 178.475 176.600 -0.180 0.000 1.003 156 E CA 1.364 57.623 56.400 -0.234 0.000 0.809 156 E CB -0.067 29.455 29.700 -0.297 0.000 0.755 156 E HN 0.418 nan 8.360 nan 0.000 0.449 157 A N -0.001 122.704 122.820 -0.191 0.000 2.255 157 A HA -0.040 4.279 4.320 -0.001 0.000 0.206 157 A C 0.984 178.434 177.584 -0.225 0.000 1.193 157 A CA 0.871 52.804 52.037 -0.173 0.000 0.794 157 A CB -0.388 18.525 19.000 -0.146 0.000 0.794 157 A HN 0.334 nan 8.150 nan 0.000 0.481 158 N N -0.595 117.941 118.700 -0.274 0.000 2.240 158 N HA 0.081 4.821 4.740 -0.001 0.000 0.240 158 N C -0.184 175.222 175.510 -0.173 0.000 1.277 158 N CA -0.222 52.662 53.050 -0.276 0.000 0.873 158 N CB 0.406 38.605 38.487 -0.479 0.000 1.222 158 N HN 0.194 nan 8.380 nan 0.000 0.507 159 N N 0.359 118.974 118.700 -0.143 0.000 2.661 159 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 159 N C 0.206 175.675 175.510 -0.069 0.000 1.142 159 N CA 0.640 53.634 53.050 -0.093 0.000 0.727 159 N CB -1.170 37.276 38.487 -0.069 0.000 1.099 159 N HN 0.446 nan 8.380 nan 0.000 0.558 160 L N -0.229 120.949 121.223 -0.076 0.000 2.610 160 L HA 0.029 4.369 4.340 -0.001 0.000 0.232 160 L C 2.145 179.023 176.870 0.013 0.000 1.149 160 L CA 0.257 55.080 54.840 -0.029 0.000 0.872 160 L CB -0.123 41.929 42.059 -0.012 0.000 0.992 160 L HN 0.180 nan 8.230 nan 0.000 0.447 161 R N 0.291 120.790 120.500 -0.000 0.000 2.117 161 R HA -0.174 4.166 4.340 -0.001 0.000 0.243 161 R C 1.298 177.697 176.300 0.165 0.000 1.143 161 R CA 1.529 57.664 56.100 0.059 0.000 0.968 161 R CB -0.338 29.960 30.300 -0.004 0.000 0.863 161 R HN 0.404 nan 8.270 nan 0.000 0.444 162 D N 0.117 120.572 120.400 0.092 0.000 2.347 162 D HA -0.060 4.579 4.640 -0.001 0.000 0.215 162 D C 1.299 177.611 176.300 0.021 0.000 0.976 162 D CA 1.036 55.087 54.000 0.084 0.000 0.884 162 D CB 0.206 41.027 40.800 0.035 0.000 0.915 162 D HN 0.339 nan 8.370 nan 0.000 0.526 163 K N -0.543 119.865 120.400 0.013 0.000 2.329 163 K HA 0.248 4.567 4.320 -0.001 0.000 0.198 163 K C 0.597 177.161 176.600 -0.061 0.000 1.085 163 K CA 0.319 56.579 56.287 -0.045 0.000 0.961 163 K CB 1.284 33.761 32.500 -0.039 0.000 0.971 163 K HN -0.025 nan 8.250 nan 0.000 0.502 164 L N 0.656 121.901 121.223 0.036 0.000 2.431 164 L HA 0.410 4.750 4.340 -0.001 0.000 0.266 164 L C -1.409 175.646 176.870 0.308 0.000 0.978 164 L CA -1.008 53.867 54.840 0.060 0.000 0.822 164 L CB 1.690 43.770 42.059 0.035 0.000 1.310 164 L HN -0.044 nan 8.230 nan 0.000 0.409 165 W N 2.904 124.124 121.300 -0.134 0.000 2.496 165 W HA 0.596 5.256 4.660 -0.001 0.000 0.327 165 W C -0.016 176.425 176.519 -0.130 0.000 1.086 165 W CA -0.900 56.367 57.345 -0.130 0.000 1.222 165 W CB 0.956 30.317 29.460 -0.166 0.000 1.304 165 W HN 0.251 nan 8.180 nan 0.000 0.547 166 L N 2.374 123.632 121.223 0.059 0.000 2.490 166 L HA 0.322 4.661 4.340 -0.001 0.000 0.245 166 L C 0.202 177.074 176.870 0.003 0.000 1.185 166 L CA -0.163 54.697 54.840 0.033 0.000 0.813 166 L CB 0.551 42.642 42.059 0.053 0.000 1.233 166 L HN 0.255 nan 8.230 nan 0.000 0.489 167 D N 0.593 121.005 120.400 0.021 0.000 2.602 167 D HA 0.368 5.007 4.640 -0.001 0.000 0.245 167 D C -1.174 175.102 176.300 -0.040 0.000 1.325 167 D CA -0.233 53.784 54.000 0.030 0.000 0.952 167 D CB 1.782 42.659 40.800 0.128 0.000 1.317 167 D HN 0.232 nan 8.370 nan 0.000 0.577 168 V N 1.790 121.618 119.914 -0.144 0.000 2.732 168 V HA 0.826 4.945 4.120 -0.001 0.000 0.310 168 V C -2.666 173.275 176.094 -0.254 0.000 1.053 168 V CA -1.897 60.152 62.300 -0.417 0.000 0.957 168 V CB 1.535 33.096 31.823 -0.436 0.000 1.018 168 V HN 0.318 nan 8.190 nan 0.000 0.452 169 P HA 0.425 nan 4.420 nan 0.000 0.306 169 P C -0.007 177.344 177.300 0.085 0.000 1.309 169 P CA -0.317 62.725 63.100 -0.097 0.000 0.759 169 P CB 0.693 32.380 31.700 -0.023 0.000 1.314 170 D N -1.102 119.454 120.400 0.260 0.000 2.158 170 D HA -0.075 4.564 4.640 -0.001 0.000 0.197 170 D C 0.709 176.984 176.300 -0.041 0.000 0.995 170 D CA 1.426 55.493 54.000 0.112 0.000 0.846 170 D CB -0.210 40.668 40.800 0.130 0.000 0.941 170 D HN 0.197 nan 8.370 nan 0.000 0.456 171 L N -0.484 120.717 121.223 -0.036 0.000 2.344 171 L HA 0.406 4.745 4.340 -0.001 0.000 0.272 171 L C 1.719 178.528 176.870 -0.102 0.000 1.035 171 L CA -0.489 54.291 54.840 -0.100 0.000 0.807 171 L CB 2.024 44.021 42.059 -0.104 0.000 1.237 171 L HN -0.086 nan 8.230 nan 0.000 0.442 172 G N 0.394 109.019 108.800 -0.292 0.000 2.603 172 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.214 172 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.214 172 G C 1.211 176.407 174.900 0.493 0.000 1.140 172 G CA 0.626 45.691 45.100 -0.059 0.000 0.800 172 G HN 0.844 nan 8.290 nan 0.000 0.533 173 G N 0.583 109.825 108.800 0.735 0.000 2.650 173 G HA2 0.323 4.282 3.960 -0.001 0.000 0.214 173 G HA3 0.323 4.282 3.960 -0.001 0.000 0.214 173 G C 0.977 176.066 174.900 0.316 0.000 1.136 173 G CA 0.517 45.906 45.100 0.482 0.000 0.789 173 G HN 0.599 nan 8.290 nan 0.000 0.536 174 G N -0.119 108.951 108.800 0.450 0.000 2.667 174 G HA2 0.349 4.308 3.960 -0.001 0.000 0.250 174 G HA3 0.349 4.308 3.960 -0.001 0.000 0.250 174 G C 0.116 175.097 174.900 0.136 0.000 1.212 174 G CA 0.271 45.578 45.100 0.344 0.000 0.874 174 G HN 0.275 nan 8.290 nan 0.000 0.561 175 S N -0.832 114.866 115.700 -0.003 0.000 2.513 175 S HA 0.192 4.662 4.470 -0.001 0.000 0.276 175 S C 1.452 175.830 174.600 -0.371 0.000 1.254 175 S CA -0.756 57.347 58.200 -0.161 0.000 1.053 175 S CB 1.288 64.448 63.200 -0.067 0.000 0.958 175 S HN 0.397 nan 8.310 nan 0.000 0.491 176 V N 5.929 125.493 119.914 -0.582 0.000 2.490 176 V HA -0.115 4.005 4.120 -0.001 0.000 0.250 176 V C 2.256 178.197 176.094 -0.255 0.000 1.061 176 V CA 1.801 63.709 62.300 -0.653 0.000 1.064 176 V CB -1.041 30.475 31.823 -0.512 0.000 0.670 176 V HN 0.871 nan 8.190 nan 0.000 0.461 177 L N 2.018 123.135 121.223 -0.176 0.000 2.007 177 L HA 0.144 4.483 4.340 -0.001 0.000 0.205 177 L C 2.346 179.204 176.870 -0.021 0.000 1.073 177 L CA 2.595 57.388 54.840 -0.079 0.000 0.744 177 L CB -1.814 40.199 42.059 -0.077 0.000 0.898 177 L HN 0.186 nan 8.230 nan 0.000 0.435 178 G N 0.126 108.907 108.800 -0.031 0.000 2.440 178 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.218 178 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.218 178 G C 1.607 176.529 174.900 0.037 0.000 1.154 178 G CA 0.826 45.921 45.100 -0.008 0.000 0.767 178 G HN 0.592 nan 8.290 nan 0.000 0.552 179 N N 1.410 120.163 118.700 0.088 0.000 2.104 179 N HA -0.130 4.609 4.740 -0.001 0.000 0.190 179 N C 2.521 178.156 175.510 0.208 0.000 1.024 179 N CA 1.520 54.684 53.050 0.190 0.000 0.853 179 N CB -0.272 38.428 38.487 0.356 0.000 1.008 179 N HN 0.245 nan 8.380 nan 0.000 0.424 180 A N 0.968 123.910 122.820 0.203 0.000 1.972 180 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 180 A C 2.485 180.265 177.584 0.326 0.000 1.169 180 A CA 1.928 54.137 52.037 0.286 0.000 0.635 180 A CB -0.835 18.287 19.000 0.203 0.000 0.810 180 A HN 0.318 nan 8.150 nan 0.000 0.446 181 V N -2.553 117.453 119.914 0.153 0.000 2.358 181 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 181 V C 1.809 177.788 176.094 -0.193 0.000 1.047 181 V CA 2.007 64.293 62.300 -0.024 0.000 1.035 181 V CB -0.891 30.911 31.823 -0.035 0.000 0.658 181 V HN 0.441 nan 8.190 nan 0.000 0.452 182 E N 0.428 120.562 120.200 -0.110 0.000 2.472 182 E HA -0.028 4.321 4.350 -0.001 0.000 0.200 182 E C 0.737 177.252 176.600 -0.142 0.000 1.046 182 E CA 0.434 56.729 56.400 -0.176 0.000 0.871 182 E CB -0.189 29.428 29.700 -0.139 0.000 0.806 182 E HN 0.699 nan 8.360 nan 0.000 0.533 183 R N -0.960 119.524 120.500 -0.028 0.000 3.654 183 R HA -0.125 4.215 4.340 -0.001 0.000 0.302 183 R C 0.765 177.193 176.300 0.212 0.000 1.166 183 R CA 0.294 56.451 56.100 0.094 0.000 0.810 183 R CB -2.455 27.825 30.300 -0.033 0.000 1.323 183 R HN 0.214 nan 8.270 nan 0.000 0.478 184 G N 0.149 109.058 108.800 0.181 0.000 2.744 184 G HA2 0.344 4.303 3.960 -0.001 0.000 0.257 184 G HA3 0.344 4.303 3.960 -0.001 0.000 0.257 184 G C 0.078 174.884 174.900 -0.157 0.000 1.244 184 G CA 0.048 45.228 45.100 0.134 0.000 0.916 184 G HN 0.063 nan 8.290 nan 0.000 0.564 185 V N -0.919 118.769 119.914 -0.377 0.000 3.087 185 V HA 0.831 4.951 4.120 -0.001 0.000 0.306 185 V C 0.534 176.048 176.094 -0.967 0.000 1.187 185 V CA -0.020 61.832 62.300 -0.747 0.000 0.999 185 V CB 1.823 33.339 31.823 -0.512 0.000 1.049 185 V HN 1.300 nan 8.190 nan 0.000 0.431 186 G N 0.298 108.441 108.800 -1.095 0.000 2.766 186 G HA2 0.572 4.531 3.960 -0.001 0.000 0.288 186 G HA3 0.572 4.531 3.960 -0.001 0.000 0.288 186 G C -0.997 173.239 174.900 -1.107 0.000 1.408 186 G CA -0.397 44.028 45.100 -1.125 0.000 0.852 186 G HN 0.586 nan 8.290 nan 0.000 0.487 187 Y N -0.025 120.274 120.300 -0.001 0.000 2.466 187 Y HA 0.197 4.746 4.550 -0.001 0.000 0.272 187 Y C 2.141 178.096 175.900 0.091 0.000 1.169 187 Y CA 0.080 58.194 58.100 0.023 0.000 1.285 187 Y CB -0.347 38.105 38.460 -0.014 0.000 1.078 187 Y HN 0.558 nan 8.280 nan 0.000 0.523 188 T N -2.274 112.369 114.554 0.149 0.000 2.865 188 T HA 0.197 4.547 4.350 -0.001 0.000 0.302 188 T C -1.794 172.954 174.700 0.080 0.000 1.078 188 T CA -1.802 60.376 62.100 0.130 0.000 0.942 188 T CB 0.815 69.724 68.868 0.069 0.000 1.387 188 T HN -0.236 nan 8.240 nan 0.000 0.557 189 P HA 0.112 nan 4.420 nan 0.000 0.233 189 P C 0.007 177.411 177.300 0.174 0.000 1.167 189 P CA 0.560 63.688 63.100 0.046 0.000 0.770 189 P CB -0.166 31.504 31.700 -0.051 0.000 0.837 190 Y N -0.703 119.596 120.300 -0.003 0.000 2.645 190 Y HA 0.336 4.885 4.550 -0.001 0.000 0.307 190 Y C 2.137 178.102 175.900 0.108 0.000 1.151 190 Y CA -0.490 57.652 58.100 0.069 0.000 1.291 190 Y CB -0.941 37.572 38.460 0.088 0.000 1.135 190 Y HN -0.056 nan 8.280 nan 0.000 0.523 191 G N -0.601 108.288 108.800 0.147 0.000 2.422 191 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 191 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 191 G C 0.703 175.581 174.900 -0.038 0.000 1.146 191 G CA 0.480 45.588 45.100 0.014 0.000 0.769 191 G HN 0.244 nan 8.290 nan 0.000 0.547 192 D N 0.188 120.599 120.400 0.019 0.000 2.441 192 D HA 0.074 4.714 4.640 -0.001 0.000 0.243 192 D C 1.300 177.704 176.300 0.173 0.000 1.257 192 D CA -0.108 53.913 54.000 0.033 0.000 1.027 192 D CB -0.378 40.452 40.800 0.050 0.000 1.084 192 D HN 0.508 nan 8.370 nan 0.000 0.514 193 H N 2.117 121.234 119.070 0.079 0.000 2.289 193 H HA -0.193 4.362 4.556 -0.001 0.000 0.296 193 H C 1.832 177.227 175.328 0.113 0.000 1.091 193 H CA 1.091 57.206 56.048 0.112 0.000 1.274 193 H CB 0.051 29.896 29.762 0.139 0.000 1.364 193 H HN 0.582 nan 8.280 nan 0.000 0.490 194 W N 1.653 123.031 121.300 0.130 0.000 2.338 194 W HA -0.211 4.448 4.660 -0.001 0.000 0.304 194 W C 1.515 178.073 176.519 0.066 0.000 1.212 194 W CA 1.113 58.470 57.345 0.020 0.000 1.264 194 W CB -0.142 29.295 29.460 -0.039 0.000 1.142 194 W HN 0.211 nan 8.180 nan 0.000 0.512 195 M N 0.415 120.026 119.600 0.019 0.000 2.632 195 M HA -0.172 4.308 4.480 -0.001 0.000 0.256 195 M C 1.333 177.529 176.300 -0.173 0.000 1.080 195 M CA 1.037 56.312 55.300 -0.041 0.000 1.084 195 M CB -0.796 31.859 32.600 0.092 0.000 1.439 195 M HN 0.009 nan 8.290 nan 0.000 0.509 196 M N -1.250 118.235 119.600 -0.190 0.000 2.502 196 M HA 0.069 4.549 4.480 -0.001 0.000 0.243 196 M C 0.717 176.512 176.300 -0.842 0.000 1.130 196 M CA 0.274 55.402 55.300 -0.286 0.000 1.055 196 M CB -1.468 31.180 32.600 0.080 0.000 1.457 196 M HN 0.327 nan 8.290 nan 0.000 0.488 197 H N -1.403 117.113 119.070 -0.923 0.000 2.551 197 H HA 0.560 5.115 4.556 -0.001 0.000 0.358 197 H C -0.673 174.033 175.328 -1.037 0.000 1.151 197 H CA -0.412 55.098 56.048 -0.896 0.000 1.374 197 H CB 1.009 30.260 29.762 -0.852 0.000 1.473 197 H HN -0.025 nan 8.280 nan 0.000 0.574 198 S N 1.939 117.046 115.700 -0.989 0.000 2.592 198 S HA 0.487 4.957 4.470 -0.001 0.000 0.275 198 S C -0.667 173.725 174.600 -0.347 0.000 1.169 198 S CA -0.123 57.597 58.200 -0.801 0.000 0.958 198 S CB 0.579 63.460 63.200 -0.533 0.000 1.095 198 S HN 1.636 nan 8.310 nan 0.000 0.471 199 G N 4.357 113.022 108.800 -0.225 0.000 2.905 199 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.209 199 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.209 199 G C -0.483 174.472 174.900 0.092 0.000 0.658 199 G CA 0.645 45.735 45.100 -0.016 0.000 0.826 199 G HN 1.173 nan 8.290 nan 0.000 0.359 200 M N 0.592 120.332 119.600 0.233 0.000 2.619 200 M HA 0.845 5.324 4.480 -0.001 0.000 0.297 200 M C -0.419 176.029 176.300 0.247 0.000 1.229 200 M CA -1.168 54.280 55.300 0.247 0.000 0.860 200 M CB 2.491 35.148 32.600 0.096 0.000 1.741 200 M HN 0.423 nan 8.290 nan 0.000 0.462 201 E N 1.543 121.871 120.200 0.212 0.000 2.171 201 E HA 0.697 5.047 4.350 -0.001 0.000 0.271 201 E C -1.887 174.662 176.600 -0.085 0.000 0.916 201 E CA -0.821 55.597 56.400 0.030 0.000 0.774 201 E CB 1.993 31.722 29.700 0.049 0.000 1.128 201 E HN 0.665 nan 8.360 nan 0.000 0.403 202 V N 3.267 123.076 119.914 -0.175 0.000 2.925 202 V HA 0.311 4.431 4.120 -0.001 0.000 0.311 202 V C -0.506 175.514 176.094 -0.124 0.000 1.104 202 V CA -1.050 61.134 62.300 -0.193 0.000 0.954 202 V CB 1.974 33.554 31.823 -0.406 0.000 1.022 202 V HN 0.516 nan 8.190 nan 0.000 0.427 203 V N 4.645 124.514 119.914 -0.075 0.000 2.385 203 V HA 0.353 4.473 4.120 -0.001 0.000 0.269 203 V C 0.327 176.415 176.094 -0.010 0.000 1.043 203 V CA -0.165 62.109 62.300 -0.044 0.000 0.906 203 V CB 1.016 32.816 31.823 -0.038 0.000 0.995 203 V HN 0.613 nan 8.190 nan 0.000 0.467 204 L N 3.704 124.931 121.223 0.007 0.000 2.470 204 L HA 0.292 4.631 4.340 -0.001 0.000 0.243 204 L C 1.920 178.809 176.870 0.031 0.000 1.227 204 L CA 0.172 55.040 54.840 0.047 0.000 0.824 204 L CB 0.223 42.313 42.059 0.052 0.000 1.175 204 L HN 0.693 nan 8.230 nan 0.000 0.503 205 A N 0.606 123.447 122.820 0.034 0.000 2.067 205 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 205 A C 1.671 179.273 177.584 0.029 0.000 1.158 205 A CA 1.537 53.590 52.037 0.027 0.000 0.661 205 A CB -0.811 18.202 19.000 0.021 0.000 0.801 205 A HN 0.923 nan 8.150 nan 0.000 0.452 206 N N -1.408 117.307 118.700 0.024 0.000 2.494 206 N HA 0.225 4.965 4.740 -0.001 0.000 0.182 206 N C 1.102 176.621 175.510 0.014 0.000 1.076 206 N CA 1.447 54.510 53.050 0.021 0.000 0.908 206 N CB -0.290 38.206 38.487 0.017 0.000 0.967 206 N HN 0.720 nan 8.380 nan 0.000 0.449 207 G N -0.839 107.967 108.800 0.010 0.000 2.194 207 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.236 207 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.236 207 G C -0.452 174.441 174.900 -0.012 0.000 0.987 207 G CA 0.049 45.148 45.100 -0.001 0.000 0.635 207 G HN 0.490 nan 8.290 nan 0.000 0.520 208 E N 0.261 120.456 120.200 -0.009 0.000 2.343 208 E HA 0.555 4.905 4.350 -0.001 0.000 0.269 208 E C 0.468 177.051 176.600 -0.029 0.000 1.047 208 E CA -0.470 55.919 56.400 -0.018 0.000 0.874 208 E CB 1.150 30.844 29.700 -0.010 0.000 1.033 208 E HN 0.322 nan 8.360 nan 0.000 0.409 209 L N 3.425 124.620 121.223 -0.047 0.000 2.326 209 L HA 0.414 4.754 4.340 -0.001 0.000 0.278 209 L C -0.244 176.580 176.870 -0.078 0.000 1.092 209 L CA -0.288 54.509 54.840 -0.072 0.000 0.810 209 L CB 0.445 42.450 42.059 -0.090 0.000 1.153 209 L HN 0.366 nan 8.230 nan 0.000 0.439 210 L N 3.609 124.771 121.223 -0.101 0.000 2.409 210 L HA 0.620 4.960 4.340 -0.001 0.000 0.262 210 L C -1.167 175.621 176.870 -0.136 0.000 0.992 210 L CA -0.534 54.245 54.840 -0.100 0.000 0.817 210 L CB 1.987 44.006 42.059 -0.067 0.000 1.350 210 L HN 0.607 nan 8.230 nan 0.000 0.411 211 R N 2.006 122.440 120.500 -0.111 0.000 2.575 211 R HA 0.435 4.774 4.340 -0.001 0.000 0.293 211 R C -0.842 175.464 176.300 0.009 0.000 0.983 211 R CA -0.678 55.365 56.100 -0.094 0.000 0.887 211 R CB 2.156 32.270 30.300 -0.309 0.000 1.184 211 R HN 0.755 nan 8.270 nan 0.000 0.445 212 T N -0.868 113.734 114.554 0.080 0.000 2.874 212 T HA 0.579 4.929 4.350 -0.001 0.000 0.281 212 T C 1.067 175.853 174.700 0.143 0.000 0.994 212 T CA 0.329 62.499 62.100 0.117 0.000 1.015 212 T CB 1.581 70.531 68.868 0.138 0.000 1.028 212 T HN 0.789 nan 8.240 nan 0.000 0.523 213 G N 1.690 110.588 108.800 0.162 0.000 2.622 213 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.307 213 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.307 213 G C 0.905 175.877 174.900 0.121 0.000 1.226 213 G CA 0.401 45.576 45.100 0.125 0.000 0.997 213 G HN 0.761 nan 8.290 nan 0.000 0.551 214 M N 2.296 121.955 119.600 0.097 0.000 2.686 214 M HA 0.083 4.563 4.480 -0.001 0.000 0.246 214 M C 2.615 178.970 176.300 0.092 0.000 1.096 214 M CA 1.536 56.900 55.300 0.106 0.000 1.076 214 M CB -1.293 31.374 32.600 0.112 0.000 1.504 214 M HN 0.705 nan 8.290 nan 0.000 0.524 215 G N -0.195 108.679 108.800 0.124 0.000 2.484 215 G HA2 0.053 4.013 3.960 -0.001 0.000 0.218 215 G HA3 0.053 4.013 3.960 -0.001 0.000 0.218 215 G C 1.547 176.465 174.900 0.029 0.000 1.130 215 G CA 0.802 46.012 45.100 0.184 0.000 0.784 215 G HN 0.526 nan 8.290 nan 0.000 0.543 216 A N -0.186 122.665 122.820 0.050 0.000 2.067 216 A HA 0.323 4.643 4.320 -0.001 0.000 0.217 216 A C 1.180 178.774 177.584 0.017 0.000 1.156 216 A CA 0.062 52.114 52.037 0.025 0.000 0.683 216 A CB -0.062 18.974 19.000 0.060 0.000 0.808 216 A HN 0.314 nan 8.150 nan 0.000 0.455 217 L N 2.473 123.717 121.223 0.036 0.000 2.407 217 L HA 0.287 4.627 4.340 -0.001 0.000 0.282 217 L C -2.559 174.316 176.870 0.007 0.000 1.110 217 L CA -1.928 52.927 54.840 0.025 0.000 0.863 217 L CB 0.540 42.626 42.059 0.044 0.000 1.207 217 L HN 0.037 nan 8.230 nan 0.000 0.454 218 P HA 0.089 nan 4.420 nan 0.000 0.271 218 P C -0.612 176.683 177.300 -0.008 0.000 1.216 218 P CA -0.381 62.703 63.100 -0.026 0.000 0.776 218 P CB 0.677 32.357 31.700 -0.034 0.000 0.881 219 D N 3.316 123.714 120.400 -0.004 0.000 2.423 219 D HA 0.138 4.777 4.640 -0.001 0.000 0.238 219 D C -1.967 174.337 176.300 0.006 0.000 1.142 219 D CA -1.102 52.910 54.000 0.019 0.000 0.884 219 D CB -0.394 40.428 40.800 0.035 0.000 1.199 219 D HN 0.203 nan 8.370 nan 0.000 0.438 220 P HA 0.117 nan 4.420 nan 0.000 0.272 220 P C -0.615 176.687 177.300 0.003 0.000 1.230 220 P CA -0.370 62.732 63.100 0.004 0.000 0.788 220 P CB 0.426 32.130 31.700 0.005 0.000 0.949 221 K N 2.783 123.182 120.400 -0.002 0.000 2.295 221 K HA 0.252 4.571 4.320 -0.001 0.000 0.270 221 K C -0.017 176.584 176.600 0.001 0.000 1.011 221 K CA -0.220 56.065 56.287 -0.003 0.000 0.953 221 K CB 0.387 32.884 32.500 -0.006 0.000 0.956 221 K HN 0.590 nan 8.250 nan 0.000 0.477 222 R N 2.363 122.864 120.500 0.001 0.000 2.664 222 R HA 0.183 4.523 4.340 -0.001 0.000 0.260 222 R C -2.757 173.544 176.300 0.002 0.000 1.062 222 R CA -1.433 54.669 56.100 0.003 0.000 0.902 222 R CB 0.892 31.197 30.300 0.008 0.000 1.258 222 R HN 0.316 nan 8.270 nan 0.000 0.465 223 P HA -0.246 nan 4.420 nan 0.000 0.216 223 P C 0.468 177.770 177.300 0.003 0.000 1.167 223 P CA 1.766 64.866 63.100 0.001 0.000 0.914 223 P CB 0.140 31.841 31.700 0.002 0.000 0.793 224 E N -0.895 119.309 120.200 0.006 0.000 2.147 224 E HA -0.181 4.168 4.350 -0.001 0.000 0.199 224 E C 1.823 178.427 176.600 0.008 0.000 1.005 224 E CA 2.141 58.545 56.400 0.008 0.000 0.810 224 E CB -1.570 28.138 29.700 0.013 0.000 0.736 224 E HN 0.454 nan 8.360 nan 0.000 0.460 225 T N -2.140 112.418 114.554 0.007 0.000 3.107 225 T HA 0.157 4.506 4.350 -0.001 0.000 0.249 225 T C 0.593 175.291 174.700 -0.004 0.000 1.096 225 T CA -0.302 61.800 62.100 0.004 0.000 1.012 225 T CB -0.007 68.865 68.868 0.006 0.000 0.977 225 T HN -0.146 nan 8.240 nan 0.000 0.527 226 M N 1.951 121.549 119.600 -0.004 0.000 2.238 226 M HA 0.365 4.845 4.480 -0.001 0.000 0.350 226 M C 1.706 178.000 176.300 -0.011 0.000 1.321 226 M CA 0.826 56.121 55.300 -0.008 0.000 1.097 226 M CB -0.520 32.076 32.600 -0.007 0.000 1.713 226 M HN 0.575 nan 8.290 nan 0.000 0.455 227 G N 2.957 111.748 108.800 -0.015 0.000 2.148 227 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.254 227 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.254 227 G C 0.000 174.889 174.900 -0.019 0.000 0.981 227 G CA -0.140 44.950 45.100 -0.016 0.000 0.670 227 G HN 0.608 nan 8.290 nan 0.000 0.528 228 L N 0.056 121.266 121.223 -0.020 0.000 2.395 228 L HA 0.384 4.724 4.340 -0.001 0.000 0.269 228 L C 1.246 178.096 176.870 -0.033 0.000 1.133 228 L CA -0.662 54.164 54.840 -0.023 0.000 0.812 228 L CB 0.639 42.685 42.059 -0.021 0.000 1.125 228 L HN 0.004 nan 8.230 nan 0.000 0.452 229 K N 2.368 122.747 120.400 -0.035 0.000 2.414 229 K HA 0.034 4.354 4.320 -0.001 0.000 0.272 229 K C -1.524 175.039 176.600 -0.061 0.000 0.993 229 K CA -1.216 55.045 56.287 -0.044 0.000 0.964 229 K CB 0.788 33.264 32.500 -0.040 0.000 0.925 229 K HN 0.287 nan 8.250 nan 0.000 0.487 230 P HA -0.209 nan 4.420 nan 0.000 0.216 230 P C 0.259 177.476 177.300 -0.138 0.000 1.150 230 P CA 1.420 64.455 63.100 -0.108 0.000 0.837 230 P CB 0.159 31.795 31.700 -0.106 0.000 0.786 231 E N -0.145 119.991 120.200 -0.107 0.000 2.097 231 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 231 E C 1.122 177.670 176.600 -0.087 0.000 1.000 231 E CA 1.310 57.651 56.400 -0.098 0.000 0.804 231 E CB -0.785 28.877 29.700 -0.062 0.000 0.740 231 E HN 0.338 nan 8.360 nan 0.000 0.454 232 D N 0.800 121.161 120.400 -0.065 0.000 2.349 232 D HA -0.020 4.620 4.640 -0.001 0.000 0.224 232 D C 0.183 176.460 176.300 -0.040 0.000 1.029 232 D CA 0.469 54.446 54.000 -0.038 0.000 0.879 232 D CB -0.046 40.741 40.800 -0.021 0.000 0.906 232 D HN 0.281 nan 8.370 nan 0.000 0.528 233 Q N 1.799 121.546 119.800 -0.089 0.000 2.293 233 Q HA 0.255 4.594 4.340 -0.001 0.000 0.251 233 Q C -2.038 173.913 176.000 -0.082 0.000 0.930 233 Q CA -1.562 54.190 55.803 -0.085 0.000 0.893 233 Q CB 0.730 29.389 28.738 -0.132 0.000 1.215 233 Q HN 0.093 nan 8.270 nan 0.000 0.425 234 P HA 0.052 nan 4.420 nan 0.000 0.274 234 P C -1.158 176.196 177.300 0.091 0.000 1.260 234 P CA -0.150 63.035 63.100 0.141 0.000 0.793 234 P CB 0.541 32.319 31.700 0.131 0.000 1.048 235 W N -0.780 120.547 121.300 0.045 0.000 2.578 235 W HA 0.436 5.095 4.660 -0.001 0.000 0.353 235 W C 1.113 177.626 176.519 -0.010 0.000 1.088 235 W CA -0.249 57.098 57.345 0.004 0.000 1.235 235 W CB 0.426 29.885 29.460 -0.001 0.000 1.362 235 W HN 0.250 nan 8.180 nan 0.000 0.592 236 S N 1.553 117.362 115.700 0.183 0.000 2.587 236 S HA -0.018 4.452 4.470 -0.001 0.000 0.260 236 S C 1.524 176.182 174.600 0.097 0.000 1.353 236 S CA 0.210 58.472 58.200 0.103 0.000 0.995 236 S CB 0.545 63.785 63.200 0.067 0.000 0.912 236 S HN 0.596 nan 8.310 nan 0.000 0.568 237 K N 1.475 121.920 120.400 0.075 0.000 2.063 237 K HA -0.104 4.215 4.320 -0.001 0.000 0.208 237 K C 1.352 177.985 176.600 0.055 0.000 1.048 237 K CA 1.517 57.850 56.287 0.077 0.000 0.928 237 K CB -0.427 32.113 32.500 0.067 0.000 0.713 237 K HN 0.574 nan 8.250 nan 0.000 0.442 238 I N 1.502 122.090 120.570 0.030 0.000 3.684 238 I HA 0.099 4.269 4.170 -0.001 0.000 0.304 238 I C 2.379 178.467 176.117 -0.048 0.000 1.278 238 I CA 0.158 61.471 61.300 0.022 0.000 1.272 238 I CB -1.246 36.788 38.000 0.056 0.000 1.029 238 I HN 0.209 nan 8.210 nan 0.000 0.458 239 A N 1.400 124.125 122.820 -0.159 0.000 1.896 239 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 239 A C 1.684 178.860 177.584 -0.681 0.000 1.206 239 A CA 2.012 53.808 52.037 -0.401 0.000 0.647 239 A CB -1.273 17.374 19.000 -0.588 0.000 0.828 239 A HN 0.614 nan 8.150 nan 0.000 0.455 240 H N -1.684 117.151 119.070 -0.392 0.000 2.524 240 H HA 0.535 5.090 4.556 -0.001 0.000 0.299 240 H C 0.688 175.914 175.328 -0.172 0.000 1.074 240 H CA -0.014 55.686 56.048 -0.580 0.000 1.115 240 H CB 0.165 29.133 29.762 -1.325 0.000 1.522 240 H HN 0.373 nan 8.280 nan 0.000 0.543 241 L N -0.830 120.447 121.223 0.090 0.000 3.128 241 L HA 0.224 4.563 4.340 -0.001 0.000 0.277 241 L C -0.684 176.367 176.870 0.301 0.000 1.171 241 L CA -0.061 54.912 54.840 0.221 0.000 1.008 241 L CB 1.105 43.224 42.059 0.100 0.000 1.442 241 L HN 0.144 nan 8.230 nan 0.000 0.584 242 F N 2.005 121.972 119.950 0.030 0.000 2.941 242 F HA 0.452 4.979 4.527 -0.001 0.000 0.359 242 F C -2.261 173.445 175.800 -0.157 0.000 1.231 242 F CA -2.305 55.653 58.000 -0.069 0.000 1.089 242 F CB 1.512 40.461 39.000 -0.086 0.000 1.407 242 F HN -0.248 nan 8.300 nan 0.000 0.538 243 P HA -0.196 nan 4.420 nan 0.000 0.217 243 P C 1.314 178.202 177.300 -0.687 0.000 1.150 243 P CA 1.534 64.254 63.100 -0.633 0.000 0.832 243 P CB -0.025 31.230 31.700 -0.742 0.000 0.787 244 Y N 0.347 119.844 120.300 -1.338 0.000 2.207 244 Y HA 0.010 4.560 4.550 -0.001 0.000 0.287 244 Y C 2.307 177.917 175.900 -0.483 0.000 1.156 244 Y CA 0.541 57.934 58.100 -1.178 0.000 1.182 244 Y CB -1.730 35.999 38.460 -1.218 0.000 0.979 244 Y HN 0.114 nan 8.280 nan 0.000 0.521 245 G N 0.266 109.005 108.800 -0.101 0.000 2.574 245 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.286 245 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.286 245 G C -0.500 174.606 174.900 0.343 0.000 1.212 245 G CA 0.393 45.622 45.100 0.215 0.000 0.979 245 G HN 0.431 nan 8.290 nan 0.000 0.557 246 F N 0.932 120.962 119.950 0.133 0.000 2.588 246 F HA 0.631 5.157 4.527 -0.001 0.000 0.314 246 F C 0.832 176.687 175.800 0.091 0.000 1.069 246 F CA 1.396 59.466 58.000 0.117 0.000 0.931 246 F CB 1.504 40.565 39.000 0.101 0.000 1.260 246 F HN 2.369 nan 8.300 nan 0.000 0.465 247 G N 3.615 111.825 108.800 -0.983 0.000 2.593 247 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.237 247 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.237 247 G C -2.671 172.100 174.900 -0.216 0.000 1.312 247 G CA -0.766 43.963 45.100 -0.619 0.000 0.896 247 G HN 0.677 nan 8.290 nan 0.000 0.574 248 P HA 0.267 nan 4.420 nan 0.000 0.261 248 P C -0.568 176.784 177.300 0.087 0.000 1.183 248 P CA 0.214 63.310 63.100 -0.007 0.000 0.761 248 P CB 0.183 31.893 31.700 0.017 0.000 0.785 249 Y N 5.194 125.464 120.300 -0.049 0.000 2.636 249 Y HA 0.209 4.758 4.550 -0.001 0.000 0.341 249 Y C 1.136 177.083 175.900 0.077 0.000 1.169 249 Y CA -0.845 57.256 58.100 0.002 0.000 1.498 249 Y CB -0.609 37.805 38.460 -0.077 0.000 1.362 249 Y HN 0.344 nan 8.280 nan 0.000 0.494 250 I N -0.567 120.037 120.570 0.056 0.000 3.564 250 I HA 0.044 4.213 4.170 -0.001 0.000 0.294 250 I C 0.766 176.940 176.117 0.095 0.000 1.289 250 I CA 0.521 61.845 61.300 0.039 0.000 1.325 250 I CB 0.050 38.138 38.000 0.145 0.000 1.039 250 I HN 0.230 nan 8.210 nan 0.000 0.474 251 D N 2.669 123.088 120.400 0.031 0.000 2.190 251 D HA -0.162 4.477 4.640 -0.001 0.000 0.200 251 D C 2.328 178.849 176.300 0.368 0.000 0.992 251 D CA 1.731 55.898 54.000 0.278 0.000 0.854 251 D CB -0.396 40.567 40.800 0.272 0.000 0.936 251 D HN 0.568 nan 8.370 nan 0.000 0.462 252 G N 0.386 109.241 108.800 0.091 0.000 2.471 252 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.219 252 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.219 252 G C 1.386 176.156 174.900 -0.217 0.000 1.125 252 G CA 0.098 45.177 45.100 -0.035 0.000 0.775 252 G HN 0.287 nan 8.290 nan 0.000 0.548 253 L N -0.510 120.552 121.223 -0.269 0.000 2.549 253 L HA 0.084 4.423 4.340 -0.001 0.000 0.230 253 L C 1.776 178.221 176.870 -0.708 0.000 1.162 253 L CA 0.363 54.900 54.840 -0.505 0.000 0.834 253 L CB -0.381 41.265 42.059 -0.688 0.000 0.947 253 L HN 0.162 nan 8.230 nan 0.000 0.452 254 F N -0.486 119.365 119.950 -0.164 0.000 2.776 254 F HA 0.057 4.584 4.527 -0.001 0.000 0.300 254 F C 1.439 177.040 175.800 -0.332 0.000 1.116 254 F CA -0.399 57.500 58.000 -0.169 0.000 1.375 254 F CB -0.045 38.933 39.000 -0.036 0.000 1.109 254 F HN -0.031 nan 8.300 nan 0.000 0.585 255 S N 0.386 115.799 115.700 -0.479 0.000 2.429 255 S HA 0.315 4.785 4.470 -0.001 0.000 0.302 255 S C -0.020 174.299 174.600 -0.469 0.000 1.115 255 S CA -0.642 57.146 58.200 -0.686 0.000 1.095 255 S CB 1.184 63.553 63.200 -1.385 0.000 0.987 255 S HN 0.356 nan 8.310 nan 0.000 0.474 256 Q N 0.491 120.064 119.800 -0.378 0.000 2.459 256 Q HA -0.179 4.160 4.340 -0.001 0.000 0.322 256 Q C -0.194 175.631 176.000 -0.292 0.000 1.427 256 Q CA 0.950 56.560 55.803 -0.321 0.000 0.861 256 Q CB -2.197 26.348 28.738 -0.322 0.000 1.137 256 Q HN 1.123 nan 8.270 nan 0.000 0.394 257 S N -1.006 114.519 115.700 -0.292 0.000 2.625 257 S HA 0.599 5.069 4.470 -0.001 0.000 0.271 257 S C 0.007 174.439 174.600 -0.280 0.000 1.161 257 S CA -0.420 57.609 58.200 -0.286 0.000 0.820 257 S CB 1.137 64.145 63.200 -0.321 0.000 1.137 257 S HN 0.308 nan 8.310 nan 0.000 0.470 258 N N 0.212 118.749 118.700 -0.270 0.000 2.235 258 N HA 0.141 4.880 4.740 -0.001 0.000 0.209 258 N C 0.966 176.361 175.510 -0.192 0.000 1.122 258 N CA -0.283 52.620 53.050 -0.245 0.000 0.845 258 N CB -0.303 38.030 38.487 -0.258 0.000 1.004 258 N HN 0.520 nan 8.380 nan 0.000 0.499 259 M N -0.295 119.170 119.600 -0.225 0.000 2.358 259 M HA 0.179 4.658 4.480 -0.001 0.000 0.264 259 M C 0.863 177.166 176.300 0.005 0.000 1.064 259 M CA 0.697 55.857 55.300 -0.233 0.000 1.093 259 M CB -0.947 31.312 32.600 -0.569 0.000 1.401 259 M HN 0.379 nan 8.290 nan 0.000 0.440 260 G N -0.260 108.599 108.800 0.098 0.000 2.349 260 G HA2 0.487 4.446 3.960 -0.001 0.000 0.294 260 G HA3 0.487 4.446 3.960 -0.001 0.000 0.294 260 G C -1.589 173.342 174.900 0.052 0.000 1.380 260 G CA -0.939 44.261 45.100 0.167 0.000 0.811 260 G HN 0.123 nan 8.290 nan 0.000 0.519 261 I N 1.012 121.584 120.570 0.004 0.000 2.339 261 I HA 0.353 4.522 4.170 -0.001 0.000 0.290 261 I C -0.057 176.027 176.117 -0.055 0.000 0.994 261 I CA -0.958 60.314 61.300 -0.047 0.000 1.191 261 I CB 1.765 39.733 38.000 -0.054 0.000 1.343 261 I HN 0.108 nan 8.210 nan 0.000 0.458 262 V N 5.711 125.591 119.914 -0.057 0.000 2.408 262 V HA 0.060 4.180 4.120 -0.001 0.000 0.267 262 V C 1.310 177.376 176.094 -0.045 0.000 1.047 262 V CA 0.005 62.271 62.300 -0.057 0.000 0.937 262 V CB 1.019 32.823 31.823 -0.031 0.000 0.999 262 V HN 0.942 nan 8.190 nan 0.000 0.472 263 T N 1.690 116.223 114.554 -0.036 0.000 3.051 263 T HA 0.272 4.622 4.350 -0.001 0.000 0.255 263 T C 0.481 175.188 174.700 0.012 0.000 1.085 263 T CA 0.241 62.330 62.100 -0.019 0.000 1.109 263 T CB 0.277 69.132 68.868 -0.021 0.000 0.921 263 T HN 0.569 nan 8.240 nan 0.000 0.488 264 K N -0.345 120.081 120.400 0.044 0.000 2.625 264 K HA 0.705 5.025 4.320 -0.001 0.000 0.284 264 K C -1.949 174.688 176.600 0.062 0.000 0.984 264 K CA -0.795 55.535 56.287 0.071 0.000 0.865 264 K CB 2.533 35.167 32.500 0.224 0.000 1.468 264 K HN 0.171 nan 8.250 nan 0.000 0.407 265 I N -0.211 120.336 120.570 -0.038 0.000 2.908 265 I HA 0.462 4.632 4.170 -0.001 0.000 0.300 265 I C -1.247 174.699 176.117 -0.284 0.000 1.385 265 I CA -0.506 60.732 61.300 -0.103 0.000 1.004 265 I CB 2.174 40.138 38.000 -0.060 0.000 1.309 265 I HN 0.726 nan 8.210 nan 0.000 0.449 266 G N 6.964 115.532 108.800 -0.388 0.000 2.322 266 G HA2 0.628 4.588 3.960 -0.001 0.000 0.309 266 G HA3 0.628 4.588 3.960 -0.001 0.000 0.309 266 G C -1.045 173.628 174.900 -0.377 0.000 1.121 266 G CA -0.275 44.489 45.100 -0.559 0.000 0.886 266 G HN 0.301 nan 8.290 nan 0.000 0.447 267 I N 2.692 123.106 120.570 -0.261 0.000 2.468 267 I HA 0.256 4.425 4.170 -0.001 0.000 0.285 267 I C -0.683 175.454 176.117 0.034 0.000 1.039 267 I CA -1.512 59.676 61.300 -0.188 0.000 1.074 267 I CB 1.446 39.377 38.000 -0.114 0.000 1.228 267 I HN 0.462 nan 8.210 nan 0.000 0.436 268 W N 6.814 128.134 121.300 0.035 0.000 2.257 268 W HA 0.141 4.801 4.660 -0.001 0.000 0.337 268 W C 0.045 176.679 176.519 0.192 0.000 1.321 268 W CA -0.267 57.164 57.345 0.143 0.000 1.267 268 W CB -0.069 29.502 29.460 0.185 0.000 1.187 268 W HN 0.252 nan 8.180 nan 0.000 0.565 269 L N 4.872 126.297 121.223 0.336 0.000 2.317 269 L HA 0.435 4.775 4.340 -0.001 0.000 0.281 269 L C 0.423 177.160 176.870 -0.221 0.000 1.024 269 L CA -0.985 53.883 54.840 0.046 0.000 0.810 269 L CB 1.424 43.500 42.059 0.028 0.000 1.240 269 L HN 0.244 nan 8.230 nan 0.000 0.427 270 M N 4.641 123.842 119.600 -0.665 0.000 2.146 270 M HA 0.298 4.777 4.480 -0.001 0.000 0.352 270 M C -2.333 173.761 176.300 -0.344 0.000 1.343 270 M CA -1.425 53.393 55.300 -0.804 0.000 1.115 270 M CB 1.237 33.280 32.600 -0.929 0.000 1.657 270 M HN 0.198 nan 8.290 nan 0.000 0.471 271 P HA 0.023 nan 4.420 nan 0.000 0.271 271 P C -0.883 176.137 177.300 -0.468 0.000 1.218 271 P CA -0.290 62.650 63.100 -0.266 0.000 0.780 271 P CB 0.332 31.912 31.700 -0.200 0.000 0.901 272 N N 3.856 122.192 118.700 -0.608 0.000 2.359 272 N HA -0.056 4.683 4.740 -0.001 0.000 0.261 272 N C -1.260 173.830 175.510 -0.700 0.000 1.267 272 N CA -0.831 51.563 53.050 -1.094 0.000 0.864 272 N CB 0.128 38.239 38.487 -0.627 0.000 1.063 272 N HN 0.260 nan 8.380 nan 0.000 0.474 273 P HA -0.027 nan 4.420 nan 0.000 0.241 273 P C 0.206 177.381 177.300 -0.207 0.000 1.191 273 P CA 1.017 63.895 63.100 -0.370 0.000 0.771 273 P CB 0.050 31.605 31.700 -0.242 0.000 0.929 274 R N -1.671 118.690 120.500 -0.232 0.000 3.515 274 R HA 0.128 4.468 4.340 -0.001 0.000 0.292 274 R C 0.510 176.794 176.300 -0.026 0.000 1.148 274 R CA 1.026 57.066 56.100 -0.099 0.000 0.786 274 R CB -2.872 nan 30.300 nan 0.000 1.327 274 R HN 0.830 nan 8.270 nan 0.000 0.454 275 G N -2.068 106.740 108.800 0.013 0.000 2.312 275 G HA2 0.548 4.507 3.960 -0.001 0.000 0.322 275 G HA3 0.548 4.507 3.960 -0.001 0.000 0.322 275 G C -1.238 173.777 174.900 0.192 0.000 1.645 275 G CA 0.160 45.308 45.100 0.080 0.000 0.919 275 G HN 1.912 nan 8.290 nan 0.000 0.699 276 Y N 1.184 121.488 120.300 0.007 0.000 2.436 276 Y HA 0.744 5.294 4.550 -0.001 0.000 0.327 276 Y C -1.109 174.690 175.900 -0.169 0.000 1.138 276 Y CA -1.112 56.960 58.100 -0.045 0.000 1.042 276 Y CB 2.607 41.186 38.460 0.199 0.000 1.302 276 Y HN 0.834 nan 8.280 nan 0.000 0.439 277 Q N 3.916 123.247 119.800 -0.783 0.000 2.269 277 Q HA 0.574 4.913 4.340 -0.001 0.000 0.263 277 Q C -1.520 173.944 176.000 -0.893 0.000 0.983 277 Q CA -0.522 54.750 55.803 -0.885 0.000 0.777 277 Q CB 1.755 30.041 28.738 -0.753 0.000 1.273 277 Q HN 0.696 nan 8.270 nan 0.000 0.440 278 S N 3.016 118.156 115.700 -0.933 0.000 2.617 278 S HA 0.897 5.366 4.470 -0.001 0.000 0.283 278 S C -0.672 173.813 174.600 -0.192 0.000 1.189 278 S CA -0.290 57.570 58.200 -0.566 0.000 1.036 278 S CB 0.814 63.761 63.200 -0.422 0.000 1.014 278 S HN 0.701 nan 8.310 nan 0.000 0.522 279 Y N -0.372 119.887 120.300 -0.068 0.000 2.725 279 Y HA 0.820 5.370 4.550 -0.001 0.000 0.333 279 Y C -1.796 174.130 175.900 0.044 0.000 1.242 279 Y CA -1.683 56.491 58.100 0.125 0.000 1.059 279 Y CB 0.656 39.245 38.460 0.216 0.000 1.306 279 Y HN 0.762 nan 8.280 nan 0.000 0.454 280 L N 2.087 123.524 121.223 0.357 0.000 2.388 280 L HA 0.808 5.148 4.340 -0.001 0.000 0.264 280 L C -1.783 175.212 176.870 0.208 0.000 0.998 280 L CA -1.302 53.540 54.840 0.003 0.000 0.817 280 L CB 2.066 43.980 42.059 -0.242 0.000 1.338 280 L HN 0.736 nan 8.230 nan 0.000 0.414 281 I N 3.255 123.845 120.570 0.033 0.000 2.500 281 I HA 0.305 4.474 4.170 -0.001 0.000 0.286 281 I C -0.417 175.650 176.117 -0.083 0.000 1.063 281 I CA -0.578 60.647 61.300 -0.125 0.000 1.062 281 I CB 2.249 40.067 38.000 -0.302 0.000 1.223 281 I HN 0.724 nan 8.210 nan 0.000 0.435 282 T N 4.987 119.512 114.554 -0.049 0.000 2.817 282 T HA 0.620 4.970 4.350 -0.001 0.000 0.293 282 T C -0.371 174.325 174.700 -0.007 0.000 0.964 282 T CA -0.607 61.485 62.100 -0.012 0.000 1.085 282 T CB 1.040 69.913 68.868 0.007 0.000 0.921 282 T HN 0.344 nan 8.240 nan 0.000 0.502 283 L N 5.344 126.598 121.223 0.052 0.000 2.280 283 L HA 0.336 4.675 4.340 -0.001 0.000 0.287 283 L C -1.559 175.357 176.870 0.076 0.000 1.023 283 L CA -2.556 52.332 54.840 0.080 0.000 0.819 283 L CB 1.774 43.925 42.059 0.154 0.000 1.212 283 L HN 0.457 nan 8.230 nan 0.000 0.420 284 P HA -0.100 nan 4.420 nan 0.000 0.214 284 P C -0.053 177.276 177.300 0.048 0.000 1.162 284 P CA 1.190 64.311 63.100 0.036 0.000 0.879 284 P CB 0.215 31.929 31.700 0.024 0.000 0.786 285 K N 0.351 120.794 120.400 0.071 0.000 2.174 285 K HA 0.063 4.383 4.320 -0.001 0.000 0.275 285 K C 0.822 177.538 176.600 0.194 0.000 1.015 285 K CA -0.262 56.080 56.287 0.092 0.000 0.933 285 K CB 0.380 32.923 32.500 0.071 0.000 1.025 285 K HN -0.101 nan 8.250 nan 0.000 0.463 286 D N 2.349 122.862 120.400 0.188 0.000 2.149 286 D HA -0.147 4.492 4.640 -0.001 0.000 0.194 286 D C 1.457 178.021 176.300 0.439 0.000 1.001 286 D CA 1.810 56.021 54.000 0.351 0.000 0.849 286 D CB 0.001 40.956 40.800 0.258 0.000 0.939 286 D HN 0.798 nan 8.370 nan 0.000 0.449 287 G N -0.545 108.388 108.800 0.223 0.000 2.679 287 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.212 287 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.212 287 G C 1.226 176.139 174.900 0.021 0.000 1.137 287 G CA 0.367 45.537 45.100 0.117 0.000 0.787 287 G HN 0.215 nan 8.290 nan 0.000 0.534 288 D N 0.207 120.635 120.400 0.046 0.000 2.310 288 D HA -0.079 4.561 4.640 -0.001 0.000 0.212 288 D C 2.351 178.522 176.300 -0.214 0.000 0.965 288 D CA 0.154 54.127 54.000 -0.046 0.000 0.879 288 D CB 0.064 40.877 40.800 0.022 0.000 0.921 288 D HN 0.284 nan 8.370 nan 0.000 0.510 289 L N 1.770 122.732 121.223 -0.434 0.000 2.043 289 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 289 L C 2.100 178.666 176.870 -0.506 0.000 1.075 289 L CA 1.862 56.217 54.840 -0.809 0.000 0.752 289 L CB -0.529 40.761 42.059 -1.281 0.000 0.891 289 L HN -0.131 nan 8.230 nan 0.000 0.432 290 K N -0.947 119.257 120.400 -0.326 0.000 2.020 290 K HA -0.289 4.030 4.320 -0.001 0.000 0.212 290 K C 2.296 178.757 176.600 -0.232 0.000 1.050 290 K CA 2.239 58.381 56.287 -0.241 0.000 0.929 290 K CB -0.340 32.077 32.500 -0.139 0.000 0.714 290 K HN 0.592 nan 8.250 nan 0.000 0.443 291 Q N -0.485 119.187 119.800 -0.213 0.000 2.123 291 Q HA -0.077 4.262 4.340 -0.001 0.000 0.199 291 Q C 1.954 177.764 176.000 -0.316 0.000 0.966 291 Q CA 1.056 56.725 55.803 -0.223 0.000 0.845 291 Q CB -0.101 28.529 28.738 -0.179 0.000 0.907 291 Q HN 0.464 nan 8.270 nan 0.000 0.439 292 A N 0.136 122.750 122.820 -0.342 0.000 1.873 292 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 292 A C 2.189 179.509 177.584 -0.441 0.000 1.193 292 A CA 1.829 53.601 52.037 -0.441 0.000 0.629 292 A CB -0.984 17.847 19.000 -0.282 0.000 0.826 292 A HN 0.304 nan 8.150 nan 0.000 0.447 293 V N 0.797 120.487 119.914 -0.373 0.000 2.343 293 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 293 V C 2.039 177.985 176.094 -0.246 0.000 1.051 293 V CA 2.258 64.370 62.300 -0.314 0.000 1.036 293 V CB -0.822 30.788 31.823 -0.355 0.000 0.654 293 V HN 0.541 nan 8.190 nan 0.000 0.451 294 D N -0.304 119.950 120.400 -0.242 0.000 2.219 294 D HA -0.068 4.572 4.640 -0.001 0.000 0.205 294 D C 2.063 178.232 176.300 -0.218 0.000 0.970 294 D CA 1.103 54.989 54.000 -0.189 0.000 0.851 294 D CB 0.101 40.800 40.800 -0.168 0.000 0.943 294 D HN 0.419 nan 8.370 nan 0.000 0.488 295 I N 0.858 121.228 120.570 -0.333 0.000 2.162 295 I HA -0.193 3.977 4.170 -0.001 0.000 0.238 295 I C 2.496 178.417 176.117 -0.327 0.000 1.076 295 I CA 0.624 61.660 61.300 -0.441 0.000 1.353 295 I CB -0.101 37.404 38.000 -0.825 0.000 1.063 295 I HN -0.114 nan 8.210 nan 0.000 0.408 296 I N 0.555 120.935 120.570 -0.317 0.000 2.248 296 I HA -0.371 3.798 4.170 -0.001 0.000 0.248 296 I C 2.742 178.846 176.117 -0.022 0.000 1.107 296 I CA 1.235 62.482 61.300 -0.089 0.000 1.373 296 I CB -0.572 37.394 38.000 -0.057 0.000 1.055 296 I HN 0.294 nan 8.210 nan 0.000 0.418 297 R N 1.479 121.940 120.500 -0.066 0.000 2.136 297 R HA -0.215 4.124 4.340 -0.001 0.000 0.242 297 R C -0.485 175.816 176.300 0.002 0.000 1.131 297 R CA 2.674 58.758 56.100 -0.027 0.000 0.937 297 R CB -1.394 28.877 30.300 -0.049 0.000 0.863 297 R HN 0.270 nan 8.270 nan 0.000 0.435 298 P HA -0.058 nan 4.420 nan 0.000 0.224 298 P C 1.366 178.686 177.300 0.034 0.000 1.157 298 P CA 1.053 64.156 63.100 0.006 0.000 0.799 298 P CB -0.005 31.686 31.700 -0.015 0.000 0.809 299 L N -0.848 120.403 121.223 0.047 0.000 2.217 299 L HA -0.024 4.316 4.340 -0.001 0.000 0.211 299 L C 2.905 179.851 176.870 0.127 0.000 1.107 299 L CA 0.841 55.737 54.840 0.094 0.000 0.783 299 L CB -0.556 41.586 42.059 0.138 0.000 0.919 299 L HN -0.064 nan 8.230 nan 0.000 0.442 300 R N 0.429 121.001 120.500 0.120 0.000 2.062 300 R HA -0.061 4.279 4.340 -0.001 0.000 0.226 300 R C 2.014 178.374 176.300 0.101 0.000 1.125 300 R CA 1.292 57.471 56.100 0.133 0.000 0.966 300 R CB -0.549 29.826 30.300 0.125 0.000 0.861 300 R HN 0.044 nan 8.270 nan 0.000 0.433 301 L N -0.141 121.126 121.223 0.075 0.000 2.191 301 L HA 0.070 4.410 4.340 -0.001 0.000 0.212 301 L C 1.991 178.898 176.870 0.062 0.000 1.103 301 L CA 2.197 57.073 54.840 0.061 0.000 0.769 301 L CB -0.999 41.087 42.059 0.044 0.000 0.908 301 L HN 0.444 nan 8.230 nan 0.000 0.438 302 G N -2.923 105.917 108.800 0.067 0.000 2.838 302 G HA2 0.092 4.052 3.960 -0.001 0.000 0.210 302 G HA3 0.092 4.052 3.960 -0.001 0.000 0.210 302 G C 1.000 175.950 174.900 0.084 0.000 1.153 302 G CA 0.432 45.571 45.100 0.066 0.000 0.778 302 G HN 0.358 nan 8.290 nan 0.000 0.539 303 M N -1.484 118.180 119.600 0.107 0.000 3.008 303 M HA -0.220 4.259 4.480 -0.001 0.000 0.213 303 M C 1.629 178.023 176.300 0.156 0.000 0.575 303 M CA 0.473 55.850 55.300 0.129 0.000 0.809 303 M CB -1.759 30.905 32.600 0.107 0.000 2.887 303 M HN 0.277 nan 8.290 nan 0.000 0.325 304 A N 0.553 123.469 122.820 0.160 0.000 1.929 304 A HA 0.232 4.551 4.320 -0.001 0.000 0.216 304 A C 1.055 178.791 177.584 0.253 0.000 1.176 304 A CA 0.775 52.922 52.037 0.183 0.000 0.628 304 A CB 0.064 19.162 19.000 0.163 0.000 0.816 304 A HN 0.489 nan 8.150 nan 0.000 0.444 305 L N 0.734 122.114 121.223 0.263 0.000 2.278 305 L HA 0.151 4.490 4.340 -0.001 0.000 0.287 305 L C 1.039 178.078 176.870 0.281 0.000 1.072 305 L CA -0.330 54.703 54.840 0.321 0.000 0.819 305 L CB 1.166 43.426 42.059 0.335 0.000 1.176 305 L HN 0.488 nan 8.230 nan 0.000 0.435 306 Q N 1.868 121.867 119.800 0.333 0.000 2.141 306 Q HA -0.018 4.322 4.340 -0.001 0.000 0.194 306 Q C 0.819 176.971 176.000 0.253 0.000 0.975 306 Q CA 0.509 56.502 55.803 0.317 0.000 0.834 306 Q CB 0.172 29.191 28.738 0.467 0.000 0.916 306 Q HN 0.760 nan 8.270 nan 0.000 0.484 307 N N 0.392 119.289 118.700 0.328 0.000 2.318 307 N HA 0.041 4.780 4.740 -0.001 0.000 0.283 307 N C -0.268 175.360 175.510 0.197 0.000 1.306 307 N CA -0.235 52.957 53.050 0.237 0.000 0.941 307 N CB -0.159 38.551 38.487 0.372 0.000 1.059 307 N HN -0.082 nan 8.380 nan 0.000 0.496 308 V N 1.526 121.551 119.914 0.185 0.000 2.318 308 V HA 0.351 4.471 4.120 -0.001 0.000 0.271 308 V C -2.110 174.102 176.094 0.196 0.000 1.030 308 V CA -1.263 61.136 62.300 0.165 0.000 0.844 308 V CB 0.732 32.622 31.823 0.111 0.000 1.015 308 V HN 0.626 nan 8.190 nan 0.000 0.460 309 P HA 0.404 nan 4.420 nan 0.000 0.276 309 P C -0.370 176.930 177.300 0.000 0.000 1.252 309 P CA -0.163 62.926 63.100 -0.020 0.000 0.802 309 P CB 1.090 32.795 31.700 0.009 0.000 1.035 310 T N -1.902 112.567 114.554 -0.142 0.000 2.900 310 T HA 0.684 5.033 4.350 -0.001 0.000 0.295 310 T C -0.248 174.524 174.700 0.120 0.000 1.044 310 T CA -0.757 61.348 62.100 0.008 0.000 0.995 310 T CB 0.713 69.510 68.868 -0.119 0.000 1.072 310 T HN 0.162 nan 8.240 nan 0.000 0.473 311 I N 2.738 123.495 120.570 0.313 0.000 2.359 311 I HA 0.402 4.571 4.170 -0.001 0.000 0.284 311 I C 0.522 176.919 176.117 0.465 0.000 1.018 311 I CA -0.844 60.720 61.300 0.440 0.000 1.173 311 I CB 0.988 39.188 38.000 0.333 0.000 1.326 311 I HN 0.434 nan 8.210 nan 0.000 0.462 312 R N 3.680 124.433 120.500 0.423 0.000 2.598 312 R HA 0.418 4.758 4.340 -0.001 0.000 0.279 312 R C -0.190 176.319 176.300 0.347 0.000 0.984 312 R CA -0.865 55.436 56.100 0.335 0.000 0.999 312 R CB 1.602 32.005 30.300 0.170 0.000 1.114 312 R HN 0.525 nan 8.270 nan 0.000 0.493 313 H N 2.768 121.862 119.070 0.040 0.000 2.481 313 H HA 0.068 4.623 4.556 -0.001 0.000 0.339 313 H C 1.060 176.207 175.328 -0.303 0.000 1.131 313 H CA -0.339 55.485 56.048 -0.373 0.000 1.301 313 H CB 1.286 30.896 29.762 -0.253 0.000 1.476 313 H HN 0.466 nan 8.280 nan 0.000 0.529 314 I N 4.641 124.735 120.570 -0.793 0.000 2.264 314 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 314 I C 2.170 178.105 176.117 -0.305 0.000 1.111 314 I CA 1.113 62.145 61.300 -0.447 0.000 1.382 314 I CB -0.595 37.142 38.000 -0.438 0.000 1.060 314 I HN 0.691 nan 8.210 nan 0.000 0.418 315 L N -0.450 120.652 121.223 -0.201 0.000 2.191 315 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 315 L C 2.417 179.002 176.870 -0.474 0.000 1.103 315 L CA 0.594 55.201 54.840 -0.389 0.000 0.769 315 L CB -0.600 41.183 42.059 -0.460 0.000 0.908 315 L HN 0.276 nan 8.230 nan 0.000 0.438 316 L N -0.079 120.939 121.223 -0.341 0.000 2.072 316 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 316 L C 1.978 178.706 176.870 -0.236 0.000 1.079 316 L CA 1.863 56.457 54.840 -0.410 0.000 0.752 316 L CB -0.555 41.239 42.059 -0.441 0.000 0.906 316 L HN 0.159 nan 8.230 nan 0.000 0.436 317 D N -0.291 120.012 120.400 -0.162 0.000 2.149 317 D HA -0.072 4.568 4.640 -0.001 0.000 0.201 317 D C 2.234 178.500 176.300 -0.057 0.000 0.972 317 D CA 1.312 55.269 54.000 -0.072 0.000 0.835 317 D CB -0.217 40.569 40.800 -0.024 0.000 0.966 317 D HN 0.425 nan 8.370 nan 0.000 0.476 318 A N 1.151 123.871 122.820 -0.167 0.000 1.908 318 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 318 A C 2.300 179.852 177.584 -0.054 0.000 1.181 318 A CA 2.349 54.242 52.037 -0.240 0.000 0.627 318 A CB -0.727 17.924 19.000 -0.582 0.000 0.818 318 A HN 0.248 nan 8.150 nan 0.000 0.445 319 A N -0.779 121.964 122.820 -0.128 0.000 1.969 319 A HA 0.078 4.398 4.320 -0.001 0.000 0.218 319 A C 2.152 179.877 177.584 0.236 0.000 1.169 319 A CA 1.561 53.661 52.037 0.105 0.000 0.635 319 A CB -0.729 18.227 19.000 -0.074 0.000 0.810 319 A HN 0.403 nan 8.150 nan 0.000 0.445 320 V N 0.305 120.322 119.914 0.172 0.000 2.515 320 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 320 V C 2.460 178.656 176.094 0.169 0.000 1.058 320 V CA 1.652 64.061 62.300 0.181 0.000 1.064 320 V CB -0.734 31.166 31.823 0.129 0.000 0.675 320 V HN 0.560 nan 8.190 nan 0.000 0.461 321 L N -0.289 121.052 121.223 0.197 0.000 2.056 321 L HA 0.224 4.563 4.340 -0.001 0.000 0.207 321 L C 1.100 178.136 176.870 0.277 0.000 1.078 321 L CA 1.352 56.332 54.840 0.234 0.000 0.749 321 L CB -0.496 41.707 42.059 0.240 0.000 0.901 321 L HN 0.527 nan 8.230 nan 0.000 0.433 322 G N -0.550 108.525 108.800 0.457 0.000 2.616 322 G HA2 0.260 4.220 3.960 -0.001 0.000 0.294 322 G HA3 0.260 4.220 3.960 -0.001 0.000 0.294 322 G C -1.766 173.473 174.900 0.564 0.000 1.489 322 G CA -0.696 44.636 45.100 0.386 0.000 0.836 322 G HN 0.052 nan 8.290 nan 0.000 0.527 323 D N 0.585 121.150 120.400 0.274 0.000 2.443 323 D HA -0.042 4.598 4.640 -0.001 0.000 0.234 323 D C 1.289 177.555 176.300 -0.057 0.000 1.172 323 D CA -0.222 53.859 54.000 0.135 0.000 0.878 323 D CB 1.358 42.157 40.800 -0.002 0.000 1.204 323 D HN 0.582 nan 8.370 nan 0.000 0.453 324 K N 1.151 121.135 120.400 -0.694 0.000 2.113 324 K HA -0.266 4.053 4.320 -0.001 0.000 0.208 324 K C 2.080 178.405 176.600 -0.458 0.000 1.047 324 K CA 1.303 56.788 56.287 -1.337 0.000 0.928 324 K CB -0.055 31.360 32.500 -1.809 0.000 0.716 324 K HN 0.466 nan 8.250 nan 0.000 0.446 325 R N 0.711 121.027 120.500 -0.307 0.000 2.159 325 R HA -0.081 4.259 4.340 -0.001 0.000 0.237 325 R C 0.413 176.643 176.300 -0.116 0.000 1.131 325 R CA 1.682 57.681 56.100 -0.170 0.000 0.982 325 R CB -0.126 30.091 30.300 -0.138 0.000 0.868 325 R HN 0.225 nan 8.270 nan 0.000 0.453 326 S N -1.187 114.442 115.700 -0.118 0.000 2.694 326 S HA 0.222 4.692 4.470 -0.001 0.000 0.211 326 S C -0.484 173.918 174.600 -0.330 0.000 1.328 326 S CA -0.798 57.285 58.200 -0.195 0.000 1.236 326 S CB 0.286 63.345 63.200 -0.235 0.000 1.121 326 S HN 0.397 nan 8.310 nan 0.000 0.517 327 Y N -0.529 119.748 120.300 -0.038 0.000 2.594 327 Y HA 0.353 4.902 4.550 -0.001 0.000 0.313 327 Y C 0.361 176.257 175.900 -0.006 0.000 0.920 327 Y CA -0.072 58.036 58.100 0.015 0.000 0.905 327 Y CB 0.345 38.868 38.460 0.104 0.000 1.413 327 Y HN 0.559 nan 8.280 nan 0.000 0.571 328 S N -0.383 115.357 115.700 0.066 0.000 2.709 328 S HA 0.352 4.821 4.470 -0.001 0.000 0.305 328 S C -1.404 173.172 174.600 -0.040 0.000 0.974 328 S CA -0.525 57.685 58.200 0.017 0.000 0.837 328 S CB 0.612 63.842 63.200 0.049 0.000 1.032 328 S HN -0.014 nan 8.310 nan 0.000 0.461 329 S N 3.720 119.401 115.700 -0.032 0.000 2.955 329 S HA 0.509 4.979 4.470 -0.001 0.000 0.294 329 S C -0.112 174.472 174.600 -0.028 0.000 1.198 329 S CA -0.412 57.762 58.200 -0.043 0.000 1.008 329 S CB -0.237 62.942 63.200 -0.036 0.000 1.279 329 S HN 0.577 nan 8.310 nan 0.000 0.508 330 R N 1.483 121.962 120.500 -0.036 0.000 2.522 330 R HA 0.253 4.592 4.340 -0.001 0.000 0.273 330 R C 0.249 176.535 176.300 -0.022 0.000 1.133 330 R CA -0.352 55.739 56.100 -0.014 0.000 0.969 330 R CB 0.644 30.948 30.300 0.006 0.000 1.235 330 R HN 0.316 nan 8.270 nan 0.000 0.433 331 T N 1.521 116.068 114.554 -0.011 0.000 2.851 331 T HA -0.002 4.347 4.350 -0.001 0.000 0.262 331 T C 0.212 174.922 174.700 0.016 0.000 1.043 331 T CA 0.849 62.946 62.100 -0.006 0.000 1.140 331 T CB 0.008 68.874 68.868 -0.003 0.000 0.872 331 T HN 0.483 nan 8.240 nan 0.000 0.446 332 E N 1.364 121.578 120.200 0.022 0.000 2.447 332 E HA 0.072 4.421 4.350 -0.001 0.000 0.259 332 E C -2.445 174.196 176.600 0.069 0.000 1.196 332 E CA -1.235 55.190 56.400 0.041 0.000 0.995 332 E CB 0.062 29.783 29.700 0.035 0.000 0.974 332 E HN 0.116 nan 8.360 nan 0.000 0.465 333 P HA 0.108 nan 4.420 nan 0.000 0.278 333 P C -0.606 176.763 177.300 0.115 0.000 1.238 333 P CA 0.039 63.215 63.100 0.127 0.000 0.794 333 P CB 0.501 32.270 31.700 0.115 0.000 0.955 334 L N 1.346 122.659 121.223 0.151 0.000 2.426 334 L HA 0.172 4.512 4.340 -0.001 0.000 0.271 334 L C 1.171 178.107 176.870 0.110 0.000 1.169 334 L CA -0.115 54.805 54.840 0.134 0.000 0.836 334 L CB 0.104 42.274 42.059 0.186 0.000 1.112 334 L HN 0.451 nan 8.230 nan 0.000 0.465 335 S N -0.033 115.718 115.700 0.084 0.000 2.624 335 S HA -0.007 4.463 4.470 -0.001 0.000 0.263 335 S C 0.776 175.415 174.600 0.065 0.000 1.287 335 S CA -0.678 57.562 58.200 0.067 0.000 0.990 335 S CB 1.212 64.444 63.200 0.053 0.000 0.950 335 S HN 0.764 nan 8.310 nan 0.000 0.561 336 D N 0.272 120.705 120.400 0.056 0.000 2.263 336 D HA -0.132 4.508 4.640 -0.001 0.000 0.208 336 D C 1.176 177.498 176.300 0.038 0.000 0.971 336 D CA 1.168 55.198 54.000 0.050 0.000 0.867 336 D CB 0.015 40.844 40.800 0.049 0.000 0.929 336 D HN 0.640 nan 8.370 nan 0.000 0.492 337 E N 0.458 120.682 120.200 0.039 0.000 2.122 337 E HA -0.009 4.340 4.350 -0.001 0.000 0.190 337 E C 1.990 178.612 176.600 0.038 0.000 0.977 337 E CA 0.492 56.913 56.400 0.034 0.000 0.820 337 E CB -0.154 29.566 29.700 0.032 0.000 0.770 337 E HN 0.386 nan 8.360 nan 0.000 0.462 338 E N 0.349 120.579 120.200 0.049 0.000 2.204 338 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 338 E C 1.798 178.429 176.600 0.052 0.000 0.990 338 E CA 0.540 56.977 56.400 0.061 0.000 0.821 338 E CB -0.037 29.712 29.700 0.082 0.000 0.750 338 E HN 0.222 nan 8.360 nan 0.000 0.477 339 L N 0.907 122.149 121.223 0.032 0.000 2.027 339 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 339 L C 1.945 178.795 176.870 -0.033 0.000 1.074 339 L CA 0.932 55.764 54.840 -0.013 0.000 0.745 339 L CB -0.371 41.666 42.059 -0.038 0.000 0.898 339 L HN 0.063 nan 8.230 nan 0.000 0.433 340 D N 0.506 120.895 120.400 -0.018 0.000 2.158 340 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 340 D C 2.144 178.446 176.300 0.004 0.000 0.995 340 D CA 1.263 55.254 54.000 -0.015 0.000 0.846 340 D CB -0.050 40.752 40.800 0.003 0.000 0.941 340 D HN 0.356 nan 8.370 nan 0.000 0.456 341 K N 0.278 120.692 120.400 0.023 0.000 2.025 341 K HA -0.018 4.301 4.320 -0.001 0.000 0.207 341 K C 2.381 179.013 176.600 0.054 0.000 1.049 341 K CA 0.607 56.918 56.287 0.041 0.000 0.933 341 K CB -0.034 32.501 32.500 0.058 0.000 0.714 341 K HN 0.137 nan 8.250 nan 0.000 0.438 342 I N 1.534 122.140 120.570 0.060 0.000 2.208 342 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 342 I C 2.588 178.725 176.117 0.034 0.000 1.097 342 I CA 1.108 62.457 61.300 0.083 0.000 1.363 342 I CB -0.459 37.550 38.000 0.016 0.000 1.051 342 I HN 0.203 nan 8.210 nan 0.000 0.413 343 A N 1.772 124.578 122.820 -0.023 0.000 1.917 343 A HA -0.290 4.030 4.320 -0.001 0.000 0.219 343 A C 2.332 179.910 177.584 -0.009 0.000 1.182 343 A CA 2.410 54.419 52.037 -0.047 0.000 0.633 343 A CB -0.651 18.302 19.000 -0.078 0.000 0.819 343 A HN 0.588 nan 8.150 nan 0.000 0.448 344 K N -0.419 119.987 120.400 0.011 0.000 2.057 344 K HA -0.178 4.142 4.320 -0.001 0.000 0.206 344 K C 1.915 178.538 176.600 0.037 0.000 1.050 344 K CA 1.521 57.822 56.287 0.024 0.000 0.935 344 K CB -0.452 32.065 32.500 0.027 0.000 0.715 344 K HN 0.584 nan 8.250 nan 0.000 0.439 345 Q N 0.941 120.774 119.800 0.056 0.000 2.135 345 Q HA -0.057 4.283 4.340 -0.001 0.000 0.204 345 Q C 2.126 178.165 176.000 0.066 0.000 0.981 345 Q CA 1.415 57.259 55.803 0.069 0.000 0.856 345 Q CB -0.217 28.586 28.738 0.109 0.000 0.902 345 Q HN 0.363 nan 8.270 nan 0.000 0.425 346 L N 0.253 121.515 121.223 0.064 0.000 2.492 346 L HA 0.027 4.367 4.340 -0.001 0.000 0.223 346 L C 0.049 176.920 176.870 0.001 0.000 1.132 346 L CA -0.020 54.847 54.840 0.045 0.000 0.850 346 L CB -0.142 41.946 42.059 0.048 0.000 0.966 346 L HN 0.308 nan 8.230 nan 0.000 0.454 347 N N -0.457 118.245 118.700 0.002 0.000 2.850 347 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 347 N C -0.165 175.303 175.510 -0.070 0.000 1.060 347 N CA 0.809 53.854 53.050 -0.008 0.000 0.825 347 N CB -1.473 37.015 38.487 0.003 0.000 1.132 347 N HN 0.267 nan 8.380 nan 0.000 0.564 348 L N -0.542 120.641 121.223 -0.068 0.000 2.397 348 L HA 0.758 5.097 4.340 -0.001 0.000 0.266 348 L C 1.646 178.481 176.870 -0.058 0.000 1.040 348 L CA -0.553 54.229 54.840 -0.096 0.000 0.800 348 L CB 0.779 42.785 42.059 -0.089 0.000 1.324 348 L HN 0.067 nan 8.230 nan 0.000 0.469 349 G N -0.896 107.867 108.800 -0.061 0.000 2.583 349 G HA2 0.273 4.232 3.960 -0.001 0.000 0.280 349 G HA3 0.273 4.232 3.960 -0.001 0.000 0.280 349 G C 0.402 175.234 174.900 -0.114 0.000 1.376 349 G CA -0.377 44.697 45.100 -0.043 0.000 1.043 349 G HN 0.402 nan 8.290 nan 0.000 0.538 350 R N -1.424 119.006 120.500 -0.117 0.000 2.100 350 R HA 0.089 4.428 4.340 -0.001 0.000 0.220 350 R C -0.459 175.462 176.300 -0.633 0.000 1.091 350 R CA 0.401 56.305 56.100 -0.327 0.000 0.986 350 R CB -0.027 30.163 30.300 -0.183 0.000 0.888 350 R HN 0.527 nan 8.270 nan 0.000 0.444 351 W N 0.485 121.726 121.300 -0.099 0.000 2.900 351 W HA 0.349 5.009 4.660 -0.001 0.000 0.336 351 W C -0.934 175.583 176.519 -0.003 0.000 1.064 351 W CA -0.780 56.534 57.345 -0.052 0.000 1.237 351 W CB 1.187 30.616 29.460 -0.052 0.000 1.391 351 W HN -0.129 nan 8.180 nan 0.000 0.468 352 N N 2.906 121.780 118.700 0.290 0.000 2.417 352 N HA 0.411 5.150 4.740 -0.001 0.000 0.274 352 N C -1.559 174.111 175.510 0.267 0.000 0.987 352 N CA -0.735 52.429 53.050 0.191 0.000 0.912 352 N CB 1.542 40.084 38.487 0.092 0.000 1.177 352 N HN 0.274 nan 8.380 nan 0.000 0.490 353 F N 3.663 123.592 119.950 -0.035 0.000 2.385 353 F HA 0.402 4.929 4.527 -0.001 0.000 0.360 353 F C -1.121 174.590 175.800 -0.147 0.000 1.122 353 F CA -0.640 57.358 58.000 -0.003 0.000 1.090 353 F CB 0.257 39.273 39.000 0.026 0.000 1.150 353 F HN 0.392 nan 8.300 nan 0.000 0.472 354 Y N 4.136 124.102 120.300 -0.557 0.000 2.342 354 Y HA 0.720 5.270 4.550 -0.001 0.000 0.334 354 Y C 0.602 175.983 175.900 -0.865 0.000 1.067 354 Y CA -0.694 57.067 58.100 -0.566 0.000 1.128 354 Y CB 1.683 39.927 38.460 -0.359 0.000 1.200 354 Y HN 0.730 nan 8.280 nan 0.000 0.464 355 G N 0.088 108.363 108.800 -0.876 0.000 2.749 355 G HA2 0.834 4.794 3.960 -0.001 0.000 0.300 355 G HA3 0.834 4.794 3.960 -0.001 0.000 0.300 355 G C -1.925 172.482 174.900 -0.822 0.000 1.352 355 G CA -0.584 44.047 45.100 -0.782 0.000 0.789 355 G HN 0.844 nan 8.290 nan 0.000 0.509 356 A N -0.979 121.626 122.820 -0.357 0.000 2.604 356 A HA 0.737 5.056 4.320 -0.001 0.000 0.295 356 A C -1.465 175.965 177.584 -0.257 0.000 1.067 356 A CA -0.520 51.315 52.037 -0.337 0.000 0.683 356 A CB 1.055 19.968 19.000 -0.145 0.000 1.281 356 A HN 0.808 nan 8.150 nan 0.000 0.407 357 L N 0.916 121.881 121.223 -0.430 0.000 2.331 357 L HA 0.706 5.046 4.340 -0.001 0.000 0.275 357 L C -1.302 175.182 176.870 -0.642 0.000 1.022 357 L CA -0.676 53.988 54.840 -0.294 0.000 0.812 357 L CB 1.506 43.500 42.059 -0.107 0.000 1.257 357 L HN 0.737 nan 8.230 nan 0.000 0.435 358 Y N 0.475 120.888 120.300 0.188 0.000 2.442 358 Y HA 0.730 5.280 4.550 -0.001 0.000 0.344 358 Y C 0.601 176.553 175.900 0.087 0.000 0.976 358 Y CA -0.408 57.795 58.100 0.171 0.000 1.040 358 Y CB 2.117 40.676 38.460 0.165 0.000 1.228 358 Y HN 0.773 nan 8.280 nan 0.000 0.451 359 G N 2.545 111.451 108.800 0.177 0.000 2.447 359 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.220 359 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.220 359 G C -3.248 171.680 174.900 0.046 0.000 1.261 359 G CA -1.521 43.629 45.100 0.084 0.000 1.000 359 G HN 0.400 nan 8.290 nan 0.000 0.515 360 P HA 0.176 nan 4.420 nan 0.000 0.264 360 P C 0.861 178.174 177.300 0.022 0.000 1.193 360 P CA 0.223 63.334 63.100 0.019 0.000 0.763 360 P CB 0.961 32.672 31.700 0.018 0.000 0.810 361 E N 6.039 126.245 120.200 0.010 0.000 2.097 361 E HA -0.196 4.153 4.350 -0.001 0.000 0.196 361 E C -0.970 175.641 176.600 0.019 0.000 1.000 361 E CA 2.243 58.645 56.400 0.003 0.000 0.804 361 E CB -1.752 27.945 29.700 -0.005 0.000 0.740 361 E HN 0.318 nan 8.360 nan 0.000 0.454 362 P HA -0.113 nan 4.420 nan 0.000 0.216 362 P C 1.574 178.897 177.300 0.039 0.000 1.150 362 P CA 1.345 64.461 63.100 0.026 0.000 0.843 362 P CB -0.117 31.595 31.700 0.020 0.000 0.787 363 I N -1.651 118.946 120.570 0.044 0.000 2.494 363 I HA -0.075 4.095 4.170 -0.001 0.000 0.250 363 I C 2.519 178.684 176.117 0.081 0.000 1.112 363 I CA 0.740 62.076 61.300 0.061 0.000 1.438 363 I CB -0.335 37.701 38.000 0.061 0.000 1.111 363 I HN -0.184 nan 8.210 nan 0.000 0.431 364 R N 0.673 121.216 120.500 0.072 0.000 2.091 364 R HA -0.200 4.140 4.340 -0.001 0.000 0.238 364 R C 2.430 178.804 176.300 0.122 0.000 1.136 364 R CA 1.484 57.633 56.100 0.082 0.000 0.959 364 R CB -0.402 29.906 30.300 0.013 0.000 0.856 364 R HN 0.280 nan 8.270 nan 0.000 0.437 365 R N 0.660 121.215 120.500 0.093 0.000 2.115 365 R HA -0.193 4.147 4.340 -0.001 0.000 0.239 365 R C 2.041 178.420 176.300 0.133 0.000 1.133 365 R CA 2.277 58.445 56.100 0.114 0.000 0.935 365 R CB -0.439 29.902 30.300 0.067 0.000 0.853 365 R HN 0.096 nan 8.270 nan 0.000 0.433 366 V N 1.408 121.378 119.914 0.094 0.000 2.490 366 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 366 V C 2.390 178.540 176.094 0.093 0.000 1.061 366 V CA 1.583 63.928 62.300 0.076 0.000 1.064 366 V CB -0.420 31.437 31.823 0.057 0.000 0.670 366 V HN 0.339 nan 8.190 nan 0.000 0.461 367 L N -1.141 120.163 121.223 0.136 0.000 2.027 367 L HA -0.173 4.166 4.340 -0.001 0.000 0.206 367 L C 2.420 179.403 176.870 0.187 0.000 1.074 367 L CA 1.954 56.891 54.840 0.161 0.000 0.745 367 L CB -0.547 41.630 42.059 0.197 0.000 0.898 367 L HN 0.520 nan 8.230 nan 0.000 0.433 368 W N 1.384 122.684 121.300 -0.000 0.000 2.363 368 W HA -0.178 4.482 4.660 -0.001 0.000 0.296 368 W C 2.177 178.648 176.519 -0.079 0.000 1.212 368 W CA 1.169 58.481 57.345 -0.055 0.000 1.260 368 W CB 0.151 29.580 29.460 -0.052 0.000 1.131 368 W HN 0.205 nan 8.180 nan 0.000 0.530 369 E N -0.168 119.996 120.200 -0.059 0.000 2.110 369 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 369 E C 2.018 178.489 176.600 -0.215 0.000 0.988 369 E CA 1.917 58.201 56.400 -0.194 0.000 0.804 369 E CB -0.719 28.937 29.700 -0.073 0.000 0.745 369 E HN 0.225 nan 8.360 nan 0.000 0.458 370 T N 1.683 116.171 114.554 -0.110 0.000 2.737 370 T HA -0.056 4.294 4.350 -0.001 0.000 0.265 370 T C 2.154 176.799 174.700 -0.091 0.000 1.038 370 T CA 0.836 62.892 62.100 -0.074 0.000 1.144 370 T CB -0.154 68.713 68.868 -0.002 0.000 0.866 370 T HN 0.096 nan 8.240 nan 0.000 0.434 371 I N 0.806 121.310 120.570 -0.110 0.000 2.113 371 I HA -0.184 3.986 4.170 -0.001 0.000 0.238 371 I C 2.664 178.666 176.117 -0.192 0.000 1.070 371 I CA 1.378 62.642 61.300 -0.059 0.000 1.332 371 I CB -0.393 37.569 38.000 -0.063 0.000 1.044 371 I HN 0.161 nan 8.210 nan 0.000 0.402 372 K N 0.598 120.568 120.400 -0.716 0.000 2.127 372 K HA -0.298 4.021 4.320 -0.001 0.000 0.208 372 K C 1.797 178.188 176.600 -0.349 0.000 1.047 372 K CA 2.222 57.980 56.287 -0.882 0.000 0.927 372 K CB -0.128 31.463 32.500 -1.514 0.000 0.716 372 K HN 0.212 nan 8.250 nan 0.000 0.450 373 D N -0.481 119.761 120.400 -0.264 0.000 2.149 373 D HA -0.039 4.601 4.640 -0.001 0.000 0.201 373 D C 1.602 177.875 176.300 -0.046 0.000 0.972 373 D CA 1.168 55.086 54.000 -0.136 0.000 0.835 373 D CB 0.040 40.760 40.800 -0.133 0.000 0.966 373 D HN 0.300 nan 8.370 nan 0.000 0.476 374 A N -0.465 122.346 122.820 -0.016 0.000 1.873 374 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 374 A C 1.967 179.505 177.584 -0.078 0.000 1.186 374 A CA 0.779 52.784 52.037 -0.054 0.000 0.616 374 A CB -1.088 17.867 19.000 -0.075 0.000 0.823 374 A HN 0.272 nan 8.150 nan 0.000 0.442 375 F N 1.006 120.921 119.950 -0.058 0.000 2.546 375 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 375 F C 2.405 178.198 175.800 -0.011 0.000 1.120 375 F CA 1.156 59.125 58.000 -0.053 0.000 1.456 375 F CB -0.134 38.833 39.000 -0.055 0.000 1.088 375 F HN 0.115 nan 8.300 nan 0.000 0.572 376 S N -0.299 115.504 115.700 0.171 0.000 2.481 376 S HA -0.060 4.409 4.470 -0.001 0.000 0.231 376 S C 2.236 176.853 174.600 0.027 0.000 0.996 376 S CA 0.711 58.979 58.200 0.114 0.000 0.942 376 S CB -0.330 62.913 63.200 0.071 0.000 0.768 376 S HN 0.360 nan 8.310 nan 0.000 0.520 377 A N 0.943 123.750 122.820 -0.022 0.000 2.209 377 A HA 0.147 4.467 4.320 -0.001 0.000 0.212 377 A C 0.607 178.163 177.584 -0.048 0.000 1.158 377 A CA 0.449 52.457 52.037 -0.049 0.000 0.742 377 A CB -0.264 18.686 19.000 -0.083 0.000 0.790 377 A HN 0.324 nan 8.150 nan 0.000 0.472 378 I N 0.880 121.429 120.570 -0.034 0.000 2.331 378 I HA 0.306 4.476 4.170 -0.001 0.000 0.292 378 I C -2.590 173.524 176.117 -0.006 0.000 0.998 378 I CA -2.965 58.317 61.300 -0.030 0.000 1.267 378 I CB 0.664 38.652 38.000 -0.020 0.000 1.386 378 I HN -0.078 nan 8.210 nan 0.000 0.476 379 P HA 0.222 nan 4.420 nan 0.000 0.274 379 P C 0.848 178.149 177.300 0.003 0.000 1.231 379 P CA 0.212 63.312 63.100 0.000 0.000 0.790 379 P CB 0.835 32.535 31.700 -0.001 0.000 0.951 380 G N 0.514 109.317 108.800 0.006 0.000 2.186 380 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.266 380 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.266 380 G C 0.314 175.209 174.900 -0.009 0.000 0.982 380 G CA 0.043 45.146 45.100 0.005 0.000 0.670 380 G HN 0.537 nan 8.290 nan 0.000 0.533 381 V N 0.288 120.186 119.914 -0.026 0.000 2.763 381 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 381 V C 0.637 176.630 176.094 -0.168 0.000 1.059 381 V CA 0.706 62.941 62.300 -0.109 0.000 1.138 381 V CB 1.255 33.004 31.823 -0.122 0.000 0.940 381 V HN 0.396 nan 8.190 nan 0.000 0.489 382 K N 4.946 125.167 120.400 -0.297 0.000 2.553 382 K HA 0.456 4.775 4.320 -0.001 0.000 0.250 382 K C -1.573 174.789 176.600 -0.397 0.000 0.953 382 K CA -0.435 55.690 56.287 -0.270 0.000 0.800 382 K CB 1.921 34.351 32.500 -0.117 0.000 1.243 382 K HN 0.382 nan 8.250 nan 0.000 0.435 383 F N 2.402 122.212 119.950 -0.234 0.000 2.394 383 F HA 0.438 4.964 4.527 -0.001 0.000 0.340 383 F C -0.107 175.492 175.800 -0.334 0.000 1.105 383 F CA -0.218 57.705 58.000 -0.127 0.000 1.124 383 F CB 0.532 39.494 39.000 -0.063 0.000 1.145 383 F HN 0.340 nan 8.300 nan 0.000 0.505 384 Y N 1.521 121.857 120.300 0.060 0.000 2.615 384 Y HA 0.656 5.206 4.550 -0.001 0.000 0.341 384 Y C -1.033 174.882 175.900 0.024 0.000 1.089 384 Y CA -1.770 56.299 58.100 -0.052 0.000 1.049 384 Y CB 1.457 39.922 38.460 0.007 0.000 1.296 384 Y HN 0.260 nan 8.280 nan 0.000 0.470 385 F N 1.201 121.266 119.950 0.192 0.000 2.577 385 F HA 0.485 5.011 4.527 -0.001 0.000 0.318 385 F C -1.677 174.168 175.800 0.075 0.000 1.065 385 F CA -3.159 54.876 58.000 0.057 0.000 0.929 385 F CB 1.336 40.312 39.000 -0.039 0.000 1.237 385 F HN 0.166 nan 8.300 nan 0.000 0.468 386 P HA -0.224 nan 4.420 nan 0.000 0.218 386 P C 1.321 178.697 177.300 0.126 0.000 1.152 386 P CA 1.761 64.942 63.100 0.134 0.000 0.857 386 P CB 0.409 32.149 31.700 0.067 0.000 0.787 387 E N 0.029 120.314 120.200 0.143 0.000 2.038 387 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 387 E C 1.194 177.867 176.600 0.122 0.000 1.000 387 E CA 1.235 57.705 56.400 0.116 0.000 0.803 387 E CB -1.040 28.733 29.700 0.122 0.000 0.750 387 E HN 0.334 nan 8.360 nan 0.000 0.448 388 D N 0.813 121.308 120.400 0.159 0.000 2.389 388 D HA -0.047 4.592 4.640 -0.001 0.000 0.250 388 D C 0.637 177.057 176.300 0.200 0.000 1.136 388 D CA 0.577 54.677 54.000 0.167 0.000 0.945 388 D CB -0.328 40.575 40.800 0.172 0.000 0.890 388 D HN 0.206 nan 8.370 nan 0.000 0.525 389 T N -3.852 110.784 114.554 0.137 0.000 2.816 389 T HA 0.514 4.864 4.350 -0.001 0.000 0.299 389 T C -3.034 171.704 174.700 0.062 0.000 1.230 389 T CA -1.837 60.317 62.100 0.089 0.000 1.007 389 T CB 2.563 71.452 68.868 0.034 0.000 1.289 389 T HN -0.346 nan 8.240 nan 0.000 0.508 390 P HA 0.227 nan 4.420 nan 0.000 0.271 390 P C 0.611 177.934 177.300 0.038 0.000 1.233 390 P CA -0.127 62.996 63.100 0.039 0.000 0.789 390 P CB 0.547 32.266 31.700 0.033 0.000 0.951 391 E N 0.856 121.077 120.200 0.035 0.000 2.153 391 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 391 E C 1.082 177.701 176.600 0.032 0.000 0.988 391 E CA 1.129 57.548 56.400 0.033 0.000 0.811 391 E CB -0.358 29.360 29.700 0.030 0.000 0.746 391 E HN 0.525 nan 8.360 nan 0.000 0.466 392 N N 0.993 119.713 118.700 0.033 0.000 2.270 392 N HA -0.066 4.673 4.740 -0.001 0.000 0.198 392 N C 0.149 175.681 175.510 0.038 0.000 1.117 392 N CA 0.056 53.127 53.050 0.036 0.000 0.845 392 N CB -0.014 38.497 38.487 0.039 0.000 0.980 392 N HN -0.038 nan 8.380 nan 0.000 0.486 393 S N -0.827 114.894 115.700 0.036 0.000 2.576 393 S HA 0.109 4.578 4.470 -0.001 0.000 0.272 393 S C 1.340 175.964 174.600 0.040 0.000 1.352 393 S CA -0.539 57.684 58.200 0.038 0.000 1.021 393 S CB 1.075 64.295 63.200 0.033 0.000 0.887 393 S HN -0.072 nan 8.310 nan 0.000 0.542 394 V N 1.804 121.750 119.914 0.053 0.000 2.488 394 V HA -0.054 4.065 4.120 -0.001 0.000 0.246 394 V C 2.245 178.368 176.094 0.048 0.000 1.046 394 V CA 1.319 63.628 62.300 0.015 0.000 1.053 394 V CB -0.916 30.900 31.823 -0.012 0.000 0.679 394 V HN 0.835 nan 8.190 nan 0.000 0.458 395 L N 0.350 121.707 121.223 0.223 0.000 2.046 395 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 395 L C 2.545 179.476 176.870 0.103 0.000 1.077 395 L CA 1.859 56.866 54.840 0.278 0.000 0.747 395 L CB -0.685 41.494 42.059 0.200 0.000 0.896 395 L HN 0.174 nan 8.230 nan 0.000 0.432 396 R N -1.258 119.283 120.500 0.068 0.000 2.091 396 R HA -0.156 4.184 4.340 -0.001 0.000 0.238 396 R C 2.070 178.378 176.300 0.012 0.000 1.136 396 R CA 1.731 57.855 56.100 0.040 0.000 0.959 396 R CB -0.587 29.735 30.300 0.037 0.000 0.856 396 R HN 0.329 nan 8.270 nan 0.000 0.437 397 V N 0.775 120.683 119.914 -0.010 0.000 2.255 397 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 397 V C 2.127 178.178 176.094 -0.071 0.000 1.038 397 V CA 1.607 63.880 62.300 -0.045 0.000 1.008 397 V CB -0.500 31.286 31.823 -0.061 0.000 0.645 397 V HN 0.303 nan 8.190 nan 0.000 0.449 398 R N 0.250 120.686 120.500 -0.106 0.000 2.249 398 R HA -0.213 4.126 4.340 -0.001 0.000 0.230 398 R C 1.896 178.178 176.300 -0.029 0.000 1.121 398 R CA 1.534 57.553 56.100 -0.135 0.000 0.997 398 R CB -0.507 29.608 30.300 -0.307 0.000 0.867 398 R HN 0.617 nan 8.270 nan 0.000 0.465 399 D N 1.239 121.645 120.400 0.011 0.000 2.084 399 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 399 D C 1.511 177.867 176.300 0.093 0.000 0.990 399 D CA 1.481 55.526 54.000 0.077 0.000 0.826 399 D CB 0.207 41.039 40.800 0.053 0.000 0.971 399 D HN 0.116 nan 8.370 nan 0.000 0.453 400 K N -0.575 119.817 120.400 -0.014 0.000 2.025 400 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 400 K C 2.264 178.780 176.600 -0.140 0.000 1.049 400 K CA 1.502 57.727 56.287 -0.104 0.000 0.933 400 K CB -0.427 31.996 32.500 -0.128 0.000 0.714 400 K HN 0.113 nan 8.250 nan 0.000 0.438 401 T N 1.962 116.457 114.554 -0.098 0.000 2.653 401 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 401 T C 1.756 176.451 174.700 -0.010 0.000 1.035 401 T CA 1.638 63.692 62.100 -0.077 0.000 1.154 401 T CB -0.175 68.651 68.868 -0.070 0.000 0.862 401 T HN 0.210 nan 8.240 nan 0.000 0.441 402 M N 1.395 121.036 119.600 0.068 0.000 2.686 402 M HA -0.009 4.470 4.480 -0.001 0.000 0.246 402 M C 1.779 178.125 176.300 0.077 0.000 1.096 402 M CA 0.856 56.272 55.300 0.193 0.000 1.076 402 M CB -0.117 32.667 32.600 0.306 0.000 1.504 402 M HN 0.408 nan 8.290 nan 0.000 0.524 403 Q N -1.029 118.598 119.800 -0.289 0.000 2.172 403 Q HA 0.357 4.696 4.340 -0.001 0.000 0.217 403 Q C 0.817 176.429 176.000 -0.647 0.000 0.832 403 Q CA 0.363 55.706 55.803 -0.766 0.000 1.010 403 Q CB 0.586 28.494 28.738 -1.384 0.000 1.133 403 Q HN 0.392 nan 8.270 nan 0.000 0.489 404 G N 1.544 110.153 108.800 -0.317 0.000 2.184 404 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.264 404 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.264 404 G C 0.068 174.785 174.900 -0.305 0.000 0.975 404 G CA 0.244 45.184 45.100 -0.267 0.000 0.642 404 G HN 0.458 nan 8.290 nan 0.000 0.536 405 I N 3.013 123.366 120.570 -0.361 0.000 2.325 405 I HA 0.287 4.456 4.170 -0.001 0.000 0.291 405 I C -1.688 174.191 176.117 -0.396 0.000 1.019 405 I CA -2.342 58.705 61.300 -0.422 0.000 1.302 405 I CB 1.358 39.141 38.000 -0.362 0.000 1.401 405 I HN -0.101 nan 8.210 nan 0.000 0.485 406 P HA 0.104 nan 4.420 nan 0.000 0.271 406 P C -0.356 176.685 177.300 -0.432 0.000 1.216 406 P CA 0.098 62.926 63.100 -0.453 0.000 0.771 406 P CB 1.031 32.420 31.700 -0.519 0.000 0.864 407 T N 0.033 114.285 114.554 -0.502 0.000 2.590 407 T HA 0.561 4.910 4.350 -0.001 0.000 0.282 407 T C -0.502 173.692 174.700 -0.844 0.000 0.989 407 T CA -0.328 61.504 62.100 -0.446 0.000 1.091 407 T CB 1.121 69.871 68.868 -0.196 0.000 1.460 407 T HN 0.302 nan 8.240 nan 0.000 0.499 408 Y N -1.348 118.936 120.300 -0.027 0.000 3.049 408 Y HA 0.241 4.790 4.550 -0.001 0.000 0.300 408 Y C 0.805 176.636 175.900 -0.116 0.000 0.984 408 Y CA -0.676 57.368 58.100 -0.094 0.000 1.254 408 Y CB -0.203 38.223 38.460 -0.056 0.000 1.406 408 Y HN 0.513 nan 8.280 nan 0.000 0.585 409 D N 1.171 121.586 120.400 0.025 0.000 2.144 409 D HA -0.150 4.490 4.640 -0.001 0.000 0.200 409 D C 1.472 177.756 176.300 -0.027 0.000 0.978 409 D CA 1.642 55.648 54.000 0.009 0.000 0.833 409 D CB -0.014 40.790 40.800 0.007 0.000 0.961 409 D HN 0.443 nan 8.370 nan 0.000 0.470 410 E N 0.355 120.521 120.200 -0.057 0.000 2.396 410 E HA -0.123 4.227 4.350 -0.001 0.000 0.200 410 E C 1.943 178.385 176.600 -0.263 0.000 1.023 410 E CA 0.232 56.604 56.400 -0.047 0.000 0.857 410 E CB -0.142 29.578 29.700 0.032 0.000 0.775 410 E HN 0.396 nan 8.360 nan 0.000 0.525 411 L N 0.867 121.911 121.223 -0.299 0.000 2.131 411 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 411 L C 2.127 178.773 176.870 -0.375 0.000 1.092 411 L CA 1.220 55.782 54.840 -0.462 0.000 0.759 411 L CB -0.278 41.572 42.059 -0.349 0.000 0.903 411 L HN 0.076 nan 8.230 nan 0.000 0.435 412 K N 0.055 120.360 120.400 -0.159 0.000 2.286 412 K HA -0.218 4.101 4.320 -0.001 0.000 0.203 412 K C 1.898 178.526 176.600 0.047 0.000 1.045 412 K CA 1.750 58.012 56.287 -0.040 0.000 0.935 412 K CB -0.325 32.195 32.500 0.034 0.000 0.737 412 K HN 0.621 nan 8.250 nan 0.000 0.460 413 W N 0.969 122.248 121.300 -0.035 0.000 2.425 413 W HA -0.097 4.563 4.660 -0.001 0.000 0.277 413 W C 1.103 177.596 176.519 -0.043 0.000 1.231 413 W CA 0.393 57.719 57.345 -0.032 0.000 1.248 413 W CB -0.552 28.864 29.460 -0.074 0.000 1.117 413 W HN -0.061 nan 8.180 nan 0.000 0.568 414 I N 1.759 122.160 120.570 -0.282 0.000 2.567 414 I HA -0.261 3.909 4.170 -0.001 0.000 0.257 414 I C 1.720 177.809 176.117 -0.046 0.000 1.184 414 I CA 1.451 62.550 61.300 -0.335 0.000 1.451 414 I CB -0.710 36.860 38.000 -0.716 0.000 1.089 414 I HN -0.118 nan 8.210 nan 0.000 0.441 415 D N 0.252 120.665 120.400 0.021 0.000 2.378 415 D HA -0.167 4.472 4.640 -0.001 0.000 0.227 415 D C 1.625 178.046 176.300 0.202 0.000 1.012 415 D CA 0.277 54.323 54.000 0.076 0.000 0.905 415 D CB -0.120 40.695 40.800 0.024 0.000 0.895 415 D HN 0.532 nan 8.370 nan 0.000 0.532 416 W N 1.036 122.373 121.300 0.062 0.000 2.304 416 W HA -0.187 4.473 4.660 -0.001 0.000 0.315 416 W C 0.151 176.692 176.519 0.036 0.000 1.233 416 W CA 0.874 58.259 57.345 0.067 0.000 1.261 416 W CB 0.108 29.611 29.460 0.073 0.000 1.150 416 W HN -0.066 nan 8.180 nan 0.000 0.494 417 L N 0.140 121.432 121.223 0.114 0.000 2.352 417 L HA 0.159 4.498 4.340 -0.001 0.000 0.269 417 L C -0.965 175.880 176.870 -0.042 0.000 1.034 417 L CA -2.097 52.731 54.840 -0.019 0.000 0.806 417 L CB 0.319 42.395 42.059 0.029 0.000 1.244 417 L HN -0.306 nan 8.230 nan 0.000 0.447 418 P HA -0.175 nan 4.420 nan 0.000 0.217 418 P C -0.185 177.079 177.300 -0.060 0.000 1.162 418 P CA 1.523 64.593 63.100 -0.049 0.000 0.901 418 P CB 0.157 31.834 31.700 -0.037 0.000 0.793 419 N N -0.520 118.134 118.700 -0.077 0.000 2.716 419 N HA 0.249 4.988 4.740 -0.001 0.000 0.253 419 N C -0.041 175.344 175.510 -0.210 0.000 1.170 419 N CA -0.207 52.772 53.050 -0.117 0.000 0.807 419 N CB 1.346 39.782 38.487 -0.084 0.000 1.183 419 N HN -0.019 nan 8.380 nan 0.000 0.524 420 G N 0.512 109.179 108.800 -0.222 0.000 2.432 420 G HA2 0.571 4.530 3.960 -0.001 0.000 0.257 420 G HA3 0.571 4.530 3.960 -0.001 0.000 0.257 420 G C -0.481 174.073 174.900 -0.578 0.000 1.238 420 G CA -0.215 44.705 45.100 -0.301 0.000 0.838 420 G HN 0.490 nan 8.290 nan 0.000 0.547 421 A N 2.275 124.609 122.820 -0.811 0.000 2.549 421 A HA 0.721 5.041 4.320 -0.001 0.000 0.297 421 A C -0.654 176.559 177.584 -0.618 0.000 1.061 421 A CA -0.841 50.550 52.037 -1.077 0.000 0.690 421 A CB 1.469 19.648 19.000 -1.369 0.000 1.287 421 A HN 1.176 nan 8.150 nan 0.000 0.402 422 H N 0.625 119.505 119.070 -0.316 0.000 2.533 422 H HA 0.857 5.413 4.556 -0.001 0.000 0.343 422 H C -1.692 173.594 175.328 -0.070 0.000 1.160 422 H CA -1.868 54.099 56.048 -0.135 0.000 1.218 422 H CB 1.502 31.149 29.762 -0.191 0.000 1.566 422 H HN 0.827 nan 8.280 nan 0.000 0.522 423 L N 2.374 123.490 121.223 -0.179 0.000 2.505 423 L HA 0.413 4.753 4.340 -0.001 0.000 0.266 423 L C -2.051 174.612 176.870 -0.345 0.000 0.954 423 L CA -0.526 54.192 54.840 -0.203 0.000 0.852 423 L CB 1.389 43.470 42.059 0.037 0.000 1.282 423 L HN 0.477 nan 8.230 nan 0.000 0.403 424 F N 5.470 125.315 119.950 -0.174 0.000 2.405 424 F HA 0.416 4.943 4.527 -0.001 0.000 0.355 424 F C -0.244 175.549 175.800 -0.011 0.000 1.121 424 F CA -0.260 57.659 58.000 -0.135 0.000 1.112 424 F CB 1.058 39.874 39.000 -0.306 0.000 1.126 424 F HN 0.379 nan 8.300 nan 0.000 0.481 425 F N 2.895 122.871 119.950 0.044 0.000 2.405 425 F HA 0.472 4.998 4.527 -0.001 0.000 0.355 425 F C 0.042 175.854 175.800 0.020 0.000 1.121 425 F CA -0.594 57.386 58.000 -0.034 0.000 1.112 425 F CB 0.904 39.820 39.000 -0.140 0.000 1.126 425 F HN 0.317 nan 8.300 nan 0.000 0.481 426 S N 7.888 123.300 115.700 -0.479 0.000 2.272 426 S HA 0.276 4.745 4.470 -0.001 0.000 0.207 426 S C -2.653 171.739 174.600 -0.347 0.000 1.336 426 S CA -1.052 56.977 58.200 -0.284 0.000 1.259 426 S CB -0.086 63.218 63.200 0.174 0.000 1.130 426 S HN 0.462 nan 8.310 nan 0.000 0.444 427 P HA 0.265 nan 4.420 nan 0.000 0.271 427 P C -0.569 176.598 177.300 -0.223 0.000 1.244 427 P CA -0.301 62.540 63.100 -0.432 0.000 0.793 427 P CB 0.665 32.068 31.700 -0.495 0.000 0.984 428 I N -0.489 120.011 120.570 -0.116 0.000 2.608 428 I HA 0.602 4.772 4.170 -0.001 0.000 0.295 428 I C 0.047 176.143 176.117 -0.035 0.000 1.049 428 I CA -1.058 60.205 61.300 -0.062 0.000 1.063 428 I CB 1.467 39.459 38.000 -0.013 0.000 1.248 428 I HN 0.429 nan 8.210 nan 0.000 0.424 429 A N 5.543 128.368 122.820 0.007 0.000 2.469 429 A HA 0.676 4.995 4.320 -0.001 0.000 0.299 429 A C -0.343 177.317 177.584 0.128 0.000 1.098 429 A CA -0.749 51.297 52.037 0.015 0.000 0.737 429 A CB 1.680 20.645 19.000 -0.058 0.000 1.312 429 A HN 0.674 nan 8.150 nan 0.000 0.414 430 K N -0.249 120.260 120.400 0.180 0.000 2.187 430 K HA 0.373 4.693 4.320 -0.001 0.000 0.247 430 K C -0.523 176.117 176.600 0.066 0.000 1.019 430 K CA -0.178 56.187 56.287 0.130 0.000 0.893 430 K CB 0.581 33.163 32.500 0.138 0.000 1.025 430 K HN 0.347 nan 8.250 nan 0.000 0.500 431 V N 1.873 121.812 119.914 0.041 0.000 2.174 431 V HA 0.120 4.239 4.120 -0.001 0.000 0.259 431 V C -0.254 175.823 176.094 -0.028 0.000 1.261 431 V CA -0.212 62.085 62.300 -0.005 0.000 1.137 431 V CB -0.018 31.811 31.823 0.009 0.000 1.290 431 V HN 0.624 nan 8.190 nan 0.000 0.486 432 S N 2.392 118.065 115.700 -0.044 0.000 2.572 432 S HA 0.597 5.066 4.470 -0.001 0.000 0.274 432 S C 1.182 175.726 174.600 -0.093 0.000 1.150 432 S CA 0.150 58.321 58.200 -0.047 0.000 0.944 432 S CB 1.924 65.130 63.200 0.009 0.000 1.071 432 S HN 0.639 nan 8.310 nan 0.000 0.479 433 G N 2.668 111.393 108.800 -0.125 0.000 2.440 433 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.218 433 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.218 433 G C 1.077 175.917 174.900 -0.100 0.000 1.154 433 G CA 1.191 46.190 45.100 -0.169 0.000 0.767 433 G HN 0.864 nan 8.290 nan 0.000 0.552 434 E N 0.386 120.561 120.200 -0.042 0.000 2.038 434 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 434 E C 2.008 178.656 176.600 0.080 0.000 1.000 434 E CA 1.631 58.040 56.400 0.015 0.000 0.803 434 E CB -0.273 29.440 29.700 0.022 0.000 0.750 434 E HN 0.366 nan 8.360 nan 0.000 0.448 435 D N -0.388 120.076 120.400 0.108 0.000 2.123 435 D HA -0.043 4.597 4.640 -0.001 0.000 0.200 435 D C 1.856 178.263 176.300 0.178 0.000 0.976 435 D CA 1.595 55.743 54.000 0.246 0.000 0.831 435 D CB -0.153 40.799 40.800 0.253 0.000 0.974 435 D HN 0.301 nan 8.370 nan 0.000 0.469 436 A N -0.245 122.588 122.820 0.022 0.000 1.969 436 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 436 A C 2.097 179.696 177.584 0.025 0.000 1.169 436 A CA 1.406 53.409 52.037 -0.056 0.000 0.635 436 A CB -0.556 18.211 19.000 -0.387 0.000 0.810 436 A HN 0.286 nan 8.150 nan 0.000 0.445 437 M N -1.188 118.424 119.600 0.020 0.000 2.156 437 M HA 0.029 4.509 4.480 -0.001 0.000 0.264 437 M C 2.182 178.599 176.300 0.195 0.000 1.067 437 M CA 1.753 57.118 55.300 0.108 0.000 1.131 437 M CB -0.440 32.191 32.600 0.052 0.000 1.368 437 M HN 0.512 nan 8.290 nan 0.000 0.416 438 M N -0.738 118.983 119.600 0.203 0.000 2.080 438 M HA -0.311 4.168 4.480 -0.001 0.000 0.260 438 M C 2.260 178.743 176.300 0.305 0.000 1.068 438 M CA 2.015 57.487 55.300 0.287 0.000 1.109 438 M CB -0.327 32.505 32.600 0.387 0.000 1.342 438 M HN 0.414 nan 8.290 nan 0.000 0.405 439 Q N -0.958 118.926 119.800 0.139 0.000 2.050 439 Q HA -0.260 4.079 4.340 -0.001 0.000 0.202 439 Q C 1.995 178.086 176.000 0.153 0.000 0.980 439 Q CA 1.949 57.643 55.803 -0.181 0.000 0.840 439 Q CB -0.428 27.806 28.738 -0.840 0.000 0.898 439 Q HN 0.671 nan 8.270 nan 0.000 0.424 440 Y N 0.597 120.981 120.300 0.140 0.000 2.207 440 Y HA -0.241 4.309 4.550 -0.001 0.000 0.287 440 Y C 1.918 177.846 175.900 0.047 0.000 1.156 440 Y CA 1.434 59.634 58.100 0.167 0.000 1.182 440 Y CB -0.771 37.804 38.460 0.192 0.000 0.979 440 Y HN 0.224 nan 8.280 nan 0.000 0.521 441 A N -0.323 122.461 122.820 -0.061 0.000 1.845 441 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 441 A C 2.446 179.983 177.584 -0.079 0.000 1.195 441 A CA 2.381 54.327 52.037 -0.150 0.000 0.616 441 A CB -1.414 17.585 19.000 -0.001 0.000 0.832 441 A HN 0.311 nan 8.150 nan 0.000 0.443 442 V N -0.165 119.777 119.914 0.048 0.000 2.252 442 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 442 V C 2.755 178.866 176.094 0.029 0.000 1.056 442 V CA 2.631 64.980 62.300 0.082 0.000 1.022 442 V CB -1.289 30.664 31.823 0.217 0.000 0.641 442 V HN 0.632 nan 8.190 nan 0.000 0.445 443 T N -1.001 113.581 114.554 0.046 0.000 2.904 443 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 443 T C 1.939 176.672 174.700 0.055 0.000 1.059 443 T CA 1.457 63.595 62.100 0.063 0.000 1.137 443 T CB -0.115 68.891 68.868 0.229 0.000 0.879 443 T HN 0.436 nan 8.240 nan 0.000 0.467 444 K N 1.289 121.618 120.400 -0.119 0.000 2.031 444 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 444 K C 2.393 178.944 176.600 -0.083 0.000 1.049 444 K CA 1.086 57.235 56.287 -0.229 0.000 0.939 444 K CB -0.094 31.971 32.500 -0.724 0.000 0.717 444 K HN 0.170 nan 8.250 nan 0.000 0.438 445 K N 0.623 120.972 120.400 -0.086 0.000 2.001 445 K HA -0.194 4.125 4.320 -0.001 0.000 0.214 445 K C 2.050 178.672 176.600 0.036 0.000 1.050 445 K CA 1.492 57.767 56.287 -0.020 0.000 0.934 445 K CB -0.074 32.422 32.500 -0.006 0.000 0.718 445 K HN 0.047 nan 8.250 nan 0.000 0.443 446 R N 0.525 121.046 120.500 0.034 0.000 2.105 446 R HA -0.135 4.205 4.340 -0.001 0.000 0.239 446 R C 2.475 178.845 176.300 0.118 0.000 1.135 446 R CA 1.361 57.506 56.100 0.075 0.000 0.967 446 R CB -1.389 28.879 30.300 -0.054 0.000 0.861 446 R HN 0.403 nan 8.270 nan 0.000 0.442 447 C N 0.872 120.224 119.300 0.088 0.000 2.422 447 C HA -0.080 4.380 4.460 -0.001 0.000 0.279 447 C C 2.643 177.701 174.990 0.114 0.000 1.305 447 C CA 0.553 59.638 59.018 0.110 0.000 1.757 447 C CB -0.610 27.223 27.740 0.155 0.000 1.962 447 C HN 0.441 nan 8.230 nan 0.000 0.499 448 Q N 1.000 120.857 119.800 0.095 0.000 2.016 448 Q HA -0.118 4.222 4.340 -0.001 0.000 0.200 448 Q C 1.984 178.033 176.000 0.081 0.000 0.978 448 Q CA 1.488 57.339 55.803 0.080 0.000 0.833 448 Q CB -0.422 28.351 28.738 0.057 0.000 0.895 448 Q HN 0.651 nan 8.270 nan 0.000 0.427 449 E N 0.129 120.392 120.200 0.104 0.000 2.219 449 E HA -0.180 4.170 4.350 -0.001 0.000 0.198 449 E C 1.391 178.018 176.600 0.045 0.000 0.998 449 E CA 1.001 57.447 56.400 0.076 0.000 0.818 449 E CB -0.177 29.611 29.700 0.147 0.000 0.741 449 E HN 0.352 nan 8.360 nan 0.000 0.477 450 A N 0.419 123.324 122.820 0.140 0.000 2.251 450 A HA 0.288 4.607 4.320 -0.001 0.000 0.209 450 A C 1.590 179.213 177.584 0.064 0.000 1.187 450 A CA 0.609 52.714 52.037 0.114 0.000 0.823 450 A CB -0.219 18.913 19.000 0.220 0.000 0.846 450 A HN 0.291 nan 8.150 nan 0.000 0.486 451 G N -0.902 107.935 108.800 0.062 0.000 2.225 451 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.264 451 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.264 451 G C -0.227 174.725 174.900 0.087 0.000 1.060 451 G CA 0.469 45.604 45.100 0.058 0.000 0.833 451 G HN 0.494 nan 8.290 nan 0.000 0.498 452 L N -0.346 120.940 121.223 0.104 0.000 2.388 452 L HA 0.463 4.802 4.340 -0.001 0.000 0.264 452 L C -0.451 176.501 176.870 0.136 0.000 0.998 452 L CA -1.263 53.652 54.840 0.126 0.000 0.817 452 L CB 1.695 43.821 42.059 0.111 0.000 1.338 452 L HN -0.017 nan 8.230 nan 0.000 0.414 453 D N 1.603 122.105 120.400 0.170 0.000 2.389 453 D HA 0.127 4.766 4.640 -0.001 0.000 0.247 453 D C -0.520 175.806 176.300 0.044 0.000 1.128 453 D CA 0.186 54.275 54.000 0.148 0.000 0.884 453 D CB 1.388 42.319 40.800 0.220 0.000 1.194 453 D HN 0.157 nan 8.370 nan 0.000 0.441 454 F N 3.160 123.053 119.950 -0.096 0.000 2.412 454 F HA 0.409 4.936 4.527 -0.001 0.000 0.348 454 F C -0.449 175.126 175.800 -0.376 0.000 1.102 454 F CA -0.249 57.649 58.000 -0.169 0.000 1.196 454 F CB 0.391 39.306 39.000 -0.141 0.000 1.144 454 F HN 0.176 nan 8.300 nan 0.000 0.541 455 I N 5.319 125.103 120.570 -1.310 0.000 2.644 455 I HA 0.657 4.826 4.170 -0.001 0.000 0.291 455 I C -0.193 175.221 176.117 -1.171 0.000 1.180 455 I CA -0.704 59.961 61.300 -1.058 0.000 1.040 455 I CB 1.776 39.308 38.000 -0.779 0.000 1.255 455 I HN 0.864 nan 8.210 nan 0.000 0.422 456 G N 3.081 111.437 108.800 -0.741 0.000 2.488 456 G HA2 0.743 4.703 3.960 -0.001 0.000 0.301 456 G HA3 0.743 4.703 3.960 -0.001 0.000 0.301 456 G C -1.612 173.290 174.900 0.003 0.000 1.339 456 G CA -0.391 44.489 45.100 -0.367 0.000 0.803 456 G HN 0.463 nan 8.290 nan 0.000 0.482 457 T N -0.183 114.407 114.554 0.060 0.000 3.012 457 T HA 0.514 4.863 4.350 -0.001 0.000 0.330 457 T C -1.673 173.071 174.700 0.073 0.000 1.321 457 T CA -0.408 61.787 62.100 0.158 0.000 1.067 457 T CB 1.363 70.285 68.868 0.092 0.000 1.235 457 T HN 0.414 nan 8.240 nan 0.000 0.479 458 F N 2.429 122.437 119.950 0.097 0.000 2.415 458 F HA 0.516 5.042 4.527 -0.001 0.000 0.348 458 F C 1.260 177.111 175.800 0.085 0.000 1.119 458 F CA -0.829 57.198 58.000 0.045 0.000 1.069 458 F CB 1.410 40.361 39.000 -0.081 0.000 1.124 458 F HN 0.520 nan 8.300 nan 0.000 0.472 459 T N 0.299 115.008 114.554 0.257 0.000 2.767 459 T HA 0.552 4.901 4.350 -0.001 0.000 0.288 459 T C -0.428 174.364 174.700 0.154 0.000 0.963 459 T CA -0.874 61.337 62.100 0.185 0.000 1.019 459 T CB 0.892 69.858 68.868 0.162 0.000 0.923 459 T HN 0.315 nan 8.240 nan 0.000 0.468 460 V N 3.970 123.982 119.914 0.164 0.000 2.381 460 V HA 0.504 4.623 4.120 -0.001 0.000 0.257 460 V C 1.333 177.483 176.094 0.094 0.000 1.057 460 V CA -0.513 61.877 62.300 0.150 0.000 1.013 460 V CB -0.501 31.452 31.823 0.216 0.000 1.069 460 V HN 1.136 nan 8.190 nan 0.000 0.484 461 G N 2.953 111.793 108.800 0.067 0.000 2.557 461 G HA2 0.402 4.361 3.960 -0.001 0.000 0.292 461 G HA3 0.402 4.361 3.960 -0.001 0.000 0.292 461 G C 0.538 175.482 174.900 0.074 0.000 1.237 461 G CA -0.679 44.444 45.100 0.038 0.000 0.978 461 G HN 0.650 nan 8.290 nan 0.000 0.498 462 M N -1.291 118.350 119.600 0.069 0.000 2.349 462 M HA 0.207 4.687 4.480 -0.001 0.000 0.266 462 M C 1.808 178.150 176.300 0.071 0.000 1.076 462 M CA 1.416 56.761 55.300 0.075 0.000 1.126 462 M CB 0.101 32.741 32.600 0.067 0.000 1.392 462 M HN 0.508 nan 8.290 nan 0.000 0.440 463 R N -0.162 120.382 120.500 0.072 0.000 2.517 463 R HA 0.165 4.504 4.340 -0.001 0.000 0.434 463 R C -0.968 175.378 176.300 0.076 0.000 0.884 463 R CA 0.033 56.172 56.100 0.066 0.000 1.090 463 R CB 0.511 30.848 30.300 0.061 0.000 1.601 463 R HN 0.300 nan 8.270 nan 0.000 0.579 464 E N 0.725 120.979 120.200 0.090 0.000 2.416 464 E HA 0.259 4.609 4.350 -0.001 0.000 0.280 464 E C -1.653 175.028 176.600 0.136 0.000 1.055 464 E CA -0.531 55.937 56.400 0.113 0.000 0.825 464 E CB 1.629 31.402 29.700 0.123 0.000 1.312 464 E HN 0.069 nan 8.360 nan 0.000 0.452 465 M N 1.638 121.339 119.600 0.168 0.000 2.501 465 M HA 0.309 4.789 4.480 -0.001 0.000 0.293 465 M C -1.370 175.094 176.300 0.274 0.000 1.192 465 M CA -0.824 54.607 55.300 0.218 0.000 0.886 465 M CB 2.251 34.980 32.600 0.216 0.000 1.710 465 M HN 0.438 nan 8.290 nan 0.000 0.457 466 H N 1.085 120.170 119.070 0.025 0.000 2.690 466 H HA 0.238 4.793 4.556 -0.001 0.000 0.289 466 H C -0.677 174.663 175.328 0.020 0.000 1.089 466 H CA -0.147 55.860 56.048 -0.068 0.000 1.299 466 H CB 0.043 29.676 29.762 -0.214 0.000 1.405 466 H HN 0.331 nan 8.280 nan 0.000 0.463 467 H N 5.258 124.271 119.070 -0.095 0.000 2.969 467 H HA 0.111 4.667 4.556 -0.001 0.000 0.269 467 H C -0.393 174.807 175.328 -0.214 0.000 1.223 467 H CA -1.001 54.876 56.048 -0.284 0.000 1.400 467 H CB -0.269 29.227 29.762 -0.442 0.000 1.500 467 H HN 0.456 nan 8.280 nan 0.000 0.486 468 I N 7.564 128.193 120.570 0.099 0.000 2.243 468 I HA 0.001 4.170 4.170 -0.001 0.000 0.297 468 I C 0.164 176.273 176.117 -0.013 0.000 1.161 468 I CA -0.407 60.920 61.300 0.045 0.000 1.298 468 I CB -0.340 37.717 38.000 0.094 0.000 1.475 468 I HN 0.280 nan 8.210 nan 0.000 0.561 469 V N 5.783 125.596 119.914 -0.168 0.000 2.409 469 V HA -0.051 4.069 4.120 -0.001 0.000 0.270 469 V C 0.583 176.601 176.094 -0.126 0.000 1.019 469 V CA -0.155 62.010 62.300 -0.227 0.000 1.066 469 V CB 0.111 31.841 31.823 -0.155 0.000 1.021 469 V HN 0.723 nan 8.190 nan 0.000 0.476 470 C N 7.198 126.335 119.300 -0.272 0.000 2.311 470 C HA 0.357 4.817 4.460 -0.001 0.000 0.357 470 C C 0.842 175.701 174.990 -0.219 0.000 1.086 470 C CA -1.060 57.819 59.018 -0.232 0.000 1.486 470 C CB -1.831 25.571 27.740 -0.564 0.000 1.974 470 C HN 0.650 nan 8.230 nan 0.000 0.508 471 I N 4.106 124.615 120.570 -0.102 0.000 2.483 471 I HA 0.137 4.306 4.170 -0.001 0.000 0.291 471 I C 0.585 176.791 176.117 0.147 0.000 1.112 471 I CA 0.488 61.788 61.300 -0.001 0.000 1.350 471 I CB -0.010 37.996 38.000 0.009 0.000 1.419 471 I HN 0.538 nan 8.210 nan 0.000 0.523 472 V N 5.992 126.000 119.914 0.157 0.000 2.547 472 V HA 0.798 4.918 4.120 -0.001 0.000 0.299 472 V C -0.571 175.690 176.094 0.278 0.000 1.040 472 V CA -0.435 61.986 62.300 0.201 0.000 0.913 472 V CB 1.472 33.431 31.823 0.226 0.000 0.992 472 V HN 0.612 nan 8.190 nan 0.000 0.449 473 F N 1.267 121.247 119.950 0.051 0.000 2.741 473 F HA 0.607 5.134 4.527 -0.001 0.000 0.313 473 F C -0.923 174.878 175.800 0.002 0.000 1.153 473 F CA -1.263 56.760 58.000 0.037 0.000 0.931 473 F CB 1.519 40.534 39.000 0.025 0.000 1.335 473 F HN 0.518 nan 8.300 nan 0.000 0.460 474 N N 1.815 120.623 118.700 0.180 0.000 2.415 474 N HA 0.131 4.871 4.740 -0.001 0.000 0.246 474 N C 0.549 176.173 175.510 0.190 0.000 1.078 474 N CA -0.228 52.854 53.050 0.055 0.000 0.942 474 N CB 1.249 39.790 38.487 0.090 0.000 1.140 474 N HN 0.884 nan 8.380 nan 0.000 0.501 475 K N 2.426 122.796 120.400 -0.049 0.000 2.442 475 K HA -0.079 4.240 4.320 -0.001 0.000 0.198 475 K C 0.443 177.189 176.600 0.245 0.000 1.044 475 K CA 1.192 57.545 56.287 0.111 0.000 0.948 475 K CB 0.167 32.470 32.500 -0.329 0.000 0.762 475 K HN 0.344 nan 8.250 nan 0.000 0.472 476 K N 0.634 121.127 120.400 0.154 0.000 2.374 476 K HA 0.038 4.357 4.320 -0.001 0.000 0.196 476 K C -0.307 176.364 176.600 0.119 0.000 1.023 476 K CA -0.014 56.358 56.287 0.142 0.000 1.103 476 K CB 0.358 32.918 32.500 0.100 0.000 0.848 476 K HN 0.102 nan 8.250 nan 0.000 0.528 477 D N 0.958 121.440 120.400 0.136 0.000 2.454 477 D HA 0.093 4.732 4.640 -0.001 0.000 0.225 477 D C 0.756 177.112 176.300 0.094 0.000 1.081 477 D CA -0.413 53.649 54.000 0.102 0.000 0.864 477 D CB 1.003 41.862 40.800 0.098 0.000 1.040 477 D HN -0.182 nan 8.370 nan 0.000 0.517 478 L N 3.973 125.235 121.223 0.065 0.000 2.042 478 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 478 L C 2.097 178.979 176.870 0.020 0.000 1.076 478 L CA 1.108 55.972 54.840 0.041 0.000 0.749 478 L CB -0.652 41.421 42.059 0.023 0.000 0.893 478 L HN 0.497 nan 8.230 nan 0.000 0.432 479 I N -0.912 119.669 120.570 0.017 0.000 2.226 479 I HA -0.290 3.879 4.170 -0.001 0.000 0.245 479 I C 2.677 178.795 176.117 0.002 0.000 1.100 479 I CA 1.312 62.614 61.300 0.002 0.000 1.374 479 I CB -0.721 37.279 38.000 0.000 0.000 1.057 479 I HN 0.371 nan 8.210 nan 0.000 0.413 480 Q N 0.696 120.510 119.800 0.024 0.000 2.020 480 Q HA -0.205 4.135 4.340 -0.001 0.000 0.198 480 Q C 2.195 178.178 176.000 -0.028 0.000 0.974 480 Q CA 1.456 57.275 55.803 0.027 0.000 0.829 480 Q CB 0.029 28.819 28.738 0.086 0.000 0.894 480 Q HN 0.405 nan 8.270 nan 0.000 0.433 481 K N 0.042 120.426 120.400 -0.028 0.000 2.113 481 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 481 K C 2.150 178.671 176.600 -0.132 0.000 1.047 481 K CA 1.621 57.813 56.287 -0.158 0.000 0.928 481 K CB -0.153 32.333 32.500 -0.024 0.000 0.716 481 K HN 0.188 nan 8.250 nan 0.000 0.446 482 R N 1.001 121.472 120.500 -0.049 0.000 2.092 482 R HA -0.069 4.271 4.340 -0.001 0.000 0.231 482 R C 2.145 178.460 176.300 0.025 0.000 1.119 482 R CA 1.181 57.272 56.100 -0.015 0.000 0.970 482 R CB -0.087 30.207 30.300 -0.009 0.000 0.864 482 R HN 0.169 nan 8.270 nan 0.000 0.440 483 K N 0.310 120.717 120.400 0.011 0.000 2.148 483 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 483 K C 2.022 178.683 176.600 0.102 0.000 1.050 483 K CA 1.108 57.439 56.287 0.072 0.000 0.942 483 K CB 0.022 32.544 32.500 0.038 0.000 0.724 483 K HN 0.013 nan 8.250 nan 0.000 0.446 484 V N 1.890 121.778 119.914 -0.043 0.000 2.343 484 V HA -0.269 3.851 4.120 -0.001 0.000 0.247 484 V C 2.137 178.186 176.094 -0.075 0.000 1.051 484 V CA 1.721 63.943 62.300 -0.130 0.000 1.036 484 V CB -0.563 31.005 31.823 -0.426 0.000 0.654 484 V HN 0.355 nan 8.190 nan 0.000 0.451 485 Q N -1.508 118.296 119.800 0.007 0.000 2.167 485 Q HA -0.230 4.110 4.340 -0.001 0.000 0.202 485 Q C 2.048 178.127 176.000 0.132 0.000 0.970 485 Q CA 1.934 57.818 55.803 0.134 0.000 0.855 485 Q CB -0.256 28.565 28.738 0.140 0.000 0.911 485 Q HN 0.829 nan 8.270 nan 0.000 0.438 486 W N 1.095 122.378 121.300 -0.029 0.000 2.409 486 W HA -0.151 4.508 4.660 -0.001 0.000 0.299 486 W C 1.722 178.201 176.519 -0.067 0.000 1.203 486 W CA 0.731 58.058 57.345 -0.029 0.000 1.298 486 W CB -0.174 29.267 29.460 -0.031 0.000 1.127 486 W HN 0.125 nan 8.180 nan 0.000 0.528 487 L N 0.840 122.066 121.223 0.005 0.000 1.989 487 L HA -0.272 4.068 4.340 -0.001 0.000 0.211 487 L C 2.451 179.028 176.870 -0.488 0.000 1.071 487 L CA 2.233 56.900 54.840 -0.288 0.000 0.749 487 L CB -1.168 40.842 42.059 -0.083 0.000 0.890 487 L HN 0.020 nan 8.230 nan 0.000 0.431 488 M N -0.314 119.049 119.600 -0.396 0.000 2.082 488 M HA -0.249 4.231 4.480 -0.001 0.000 0.258 488 M C 2.403 178.430 176.300 -0.454 0.000 1.071 488 M CA 1.975 56.956 55.300 -0.532 0.000 1.103 488 M CB -1.057 31.079 32.600 -0.774 0.000 1.307 488 M HN 0.337 nan 8.290 nan 0.000 0.409 489 R N -1.211 119.133 120.500 -0.261 0.000 2.152 489 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 489 R C 1.981 178.114 176.300 -0.279 0.000 1.117 489 R CA 1.755 57.774 56.100 -0.134 0.000 0.981 489 R CB -0.887 29.419 30.300 0.010 0.000 0.870 489 R HN 0.459 nan 8.270 nan 0.000 0.451 490 T N 1.804 116.038 114.554 -0.533 0.000 2.770 490 T HA -0.007 4.342 4.350 -0.001 0.000 0.263 490 T C 2.040 176.463 174.700 -0.461 0.000 1.039 490 T CA 0.684 62.422 62.100 -0.603 0.000 1.142 490 T CB -0.159 68.047 68.868 -1.103 0.000 0.868 490 T HN 0.093 nan 8.240 nan 0.000 0.435 491 L N 0.455 121.321 121.223 -0.595 0.000 2.042 491 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 491 L C 2.490 179.077 176.870 -0.471 0.000 1.076 491 L CA 1.307 55.735 54.840 -0.686 0.000 0.749 491 L CB -0.623 40.610 42.059 -1.378 0.000 0.893 491 L HN 0.271 nan 8.230 nan 0.000 0.432 492 I N -0.200 120.144 120.570 -0.377 0.000 2.118 492 I HA -0.364 3.806 4.170 -0.001 0.000 0.241 492 I C 2.181 178.327 176.117 0.048 0.000 1.070 492 I CA 1.567 62.892 61.300 0.041 0.000 1.327 492 I CB -0.473 37.580 38.000 0.088 0.000 1.034 492 I HN 0.319 nan 8.210 nan 0.000 0.405 493 D N 0.669 121.047 120.400 -0.037 0.000 2.097 493 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 493 D C 1.811 178.112 176.300 0.002 0.000 0.984 493 D CA 1.233 55.225 54.000 -0.014 0.000 0.826 493 D CB -0.499 40.279 40.800 -0.036 0.000 0.973 493 D HN 0.321 nan 8.370 nan 0.000 0.460 494 D N 0.413 120.798 120.400 -0.025 0.000 2.092 494 D HA -0.128 4.512 4.640 -0.001 0.000 0.193 494 D C 2.308 178.689 176.300 0.135 0.000 0.994 494 D CA 0.786 54.803 54.000 0.028 0.000 0.828 494 D CB -0.544 40.260 40.800 0.007 0.000 0.963 494 D HN 0.221 nan 8.370 nan 0.000 0.450 495 C N 1.277 120.724 119.300 0.245 0.000 2.425 495 C HA -0.033 4.427 4.460 -0.001 0.000 0.277 495 C C 2.918 178.075 174.990 0.279 0.000 1.280 495 C CA 0.601 59.915 59.018 0.492 0.000 1.744 495 C CB -1.086 27.056 27.740 0.669 0.000 1.989 495 C HN 0.359 nan 8.230 nan 0.000 0.491 496 A N 0.704 123.610 122.820 0.145 0.000 1.933 496 A HA 0.087 4.406 4.320 -0.001 0.000 0.218 496 A C 2.362 179.916 177.584 -0.050 0.000 1.175 496 A CA 1.899 53.948 52.037 0.020 0.000 0.628 496 A CB -0.802 18.197 19.000 -0.002 0.000 0.814 496 A HN 0.588 nan 8.150 nan 0.000 0.444 497 A N -0.224 122.578 122.820 -0.031 0.000 2.070 497 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 497 A C 1.675 179.168 177.584 -0.152 0.000 1.159 497 A CA 1.417 53.415 52.037 -0.065 0.000 0.656 497 A CB -0.436 18.545 19.000 -0.032 0.000 0.800 497 A HN 0.559 nan 8.150 nan 0.000 0.453 498 N N -0.879 117.674 118.700 -0.245 0.000 2.270 498 N HA 0.157 4.896 4.740 -0.001 0.000 0.198 498 N C 0.904 175.905 175.510 -0.848 0.000 1.117 498 N CA 0.837 53.529 53.050 -0.598 0.000 0.845 498 N CB 0.514 38.458 38.487 -0.906 0.000 0.980 498 N HN 0.586 nan 8.380 nan 0.000 0.486 499 G N 0.490 109.005 108.800 -0.475 0.000 2.137 499 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.237 499 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.237 499 G C -0.632 174.067 174.900 -0.335 0.000 1.002 499 G CA -0.304 44.559 45.100 -0.396 0.000 0.702 499 G HN 0.202 nan 8.290 nan 0.000 0.515 500 W N -0.475 120.815 121.300 -0.016 0.000 2.915 500 W HA 0.714 5.374 4.660 -0.001 0.000 0.337 500 W C 0.383 176.865 176.519 -0.061 0.000 1.102 500 W CA -0.856 56.480 57.345 -0.015 0.000 1.224 500 W CB 2.000 31.484 29.460 0.040 0.000 1.416 500 W HN 0.590 nan 8.180 nan 0.000 0.503 501 G N 1.287 110.168 108.800 0.136 0.000 2.574 501 G HA2 0.546 4.505 3.960 -0.001 0.000 0.299 501 G HA3 0.546 4.505 3.960 -0.001 0.000 0.299 501 G C -1.270 173.685 174.900 0.091 0.000 1.298 501 G CA -0.623 44.462 45.100 -0.025 0.000 0.952 501 G HN 0.173 nan 8.290 nan 0.000 0.477 502 E N -0.579 119.685 120.200 0.105 0.000 2.373 502 E HA 0.255 4.605 4.350 -0.001 0.000 0.263 502 E C 0.343 177.038 176.600 0.158 0.000 1.073 502 E CA -0.380 56.048 56.400 0.047 0.000 0.894 502 E CB 0.907 30.583 29.700 -0.040 0.000 1.008 502 E HN 0.571 nan 8.360 nan 0.000 0.420 503 Y N 1.714 121.957 120.300 -0.094 0.000 2.476 503 Y HA 0.308 4.857 4.550 -0.001 0.000 0.283 503 Y C 0.451 176.270 175.900 -0.135 0.000 1.109 503 Y CA 0.127 58.146 58.100 -0.134 0.000 1.246 503 Y CB 0.519 38.811 38.460 -0.279 0.000 1.068 503 Y HN 0.372 nan 8.280 nan 0.000 0.552 504 R N -0.025 120.041 120.500 -0.724 0.000 2.692 504 R HA 0.611 4.951 4.340 -0.001 0.000 0.269 504 R C -1.738 174.360 176.300 -0.337 0.000 1.030 504 R CA -0.067 55.542 56.100 -0.818 0.000 0.882 504 R CB 1.638 31.032 30.300 -1.510 0.000 1.250 504 R HN 0.144 nan 8.270 nan 0.000 0.465 505 T N 0.216 114.634 114.554 -0.227 0.000 2.711 505 T HA 0.259 4.609 4.350 -0.001 0.000 0.302 505 T C -1.523 173.489 174.700 0.520 0.000 1.373 505 T CA -0.808 61.475 62.100 0.306 0.000 1.000 505 T CB 0.584 69.646 68.868 0.323 0.000 1.483 505 T HN 0.627 nan 8.240 nan 0.000 0.499 506 H N 0.544 119.965 119.070 0.584 0.000 2.547 506 H HA 0.372 4.927 4.556 -0.001 0.000 0.362 506 H C 1.128 176.618 175.328 0.270 0.000 1.181 506 H CA -0.404 55.938 56.048 0.490 0.000 1.376 506 H CB 0.681 30.771 29.762 0.546 0.000 1.488 506 H HN 0.540 nan 8.280 nan 0.000 0.583 507 L N 2.477 123.455 121.223 -0.408 0.000 2.089 507 L HA -0.258 4.082 4.340 -0.001 0.000 0.213 507 L C 2.447 179.278 176.870 -0.064 0.000 1.079 507 L CA 1.730 56.308 54.840 -0.437 0.000 0.758 507 L CB -0.644 40.681 42.059 -1.223 0.000 0.891 507 L HN 0.667 nan 8.230 nan 0.000 0.433 508 A N -1.505 121.508 122.820 0.322 0.000 2.235 508 A HA 0.001 4.321 4.320 -0.001 0.000 0.208 508 A C 1.305 178.533 177.584 -0.593 0.000 1.172 508 A CA 0.717 52.731 52.037 -0.037 0.000 0.786 508 A CB -0.373 18.539 19.000 -0.147 0.000 0.804 508 A HN 0.441 nan 8.150 nan 0.000 0.479 509 F N -2.234 117.910 119.950 0.325 0.000 2.781 509 F HA 0.298 4.824 4.527 -0.001 0.000 0.322 509 F C 1.749 177.672 175.800 0.206 0.000 1.108 509 F CA -0.277 57.868 58.000 0.242 0.000 1.179 509 F CB -0.278 38.858 39.000 0.225 0.000 1.072 509 F HN 0.026 nan 8.300 nan 0.000 0.545 510 M N 0.272 120.038 119.600 0.277 0.000 2.082 510 M HA -0.245 4.234 4.480 -0.001 0.000 0.258 510 M C 1.636 178.047 176.300 0.185 0.000 1.069 510 M CA 1.886 57.296 55.300 0.183 0.000 1.102 510 M CB -0.423 32.229 32.600 0.085 0.000 1.336 510 M HN 0.088 nan 8.290 nan 0.000 0.404 511 D N -0.102 120.425 120.400 0.212 0.000 2.084 511 D HA -0.194 4.445 4.640 -0.001 0.000 0.194 511 D C 1.933 178.358 176.300 0.208 0.000 0.990 511 D CA 1.332 55.467 54.000 0.226 0.000 0.826 511 D CB -0.482 40.481 40.800 0.273 0.000 0.971 511 D HN 0.489 nan 8.370 nan 0.000 0.453 512 Q N 0.354 120.288 119.800 0.224 0.000 2.030 512 Q HA -0.158 4.181 4.340 -0.001 0.000 0.204 512 Q C 2.494 178.630 176.000 0.226 0.000 0.986 512 Q CA 1.200 57.135 55.803 0.219 0.000 0.843 512 Q CB -0.131 28.766 28.738 0.265 0.000 0.904 512 Q HN 0.272 nan 8.270 nan 0.000 0.420 513 I N 0.173 120.904 120.570 0.268 0.000 2.226 513 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 513 I C 2.538 178.849 176.117 0.323 0.000 1.100 513 I CA 1.065 62.534 61.300 0.282 0.000 1.374 513 I CB -0.200 37.977 38.000 0.295 0.000 1.057 513 I HN 0.385 nan 8.210 nan 0.000 0.413 514 M N 1.017 120.777 119.600 0.266 0.000 2.213 514 M HA -0.222 4.257 4.480 -0.001 0.000 0.263 514 M C 1.970 178.438 176.300 0.280 0.000 1.062 514 M CA 1.757 57.225 55.300 0.280 0.000 1.105 514 M CB -0.341 32.369 32.600 0.183 0.000 1.385 514 M HN 0.058 nan 8.290 nan 0.000 0.417 515 E N -0.871 119.457 120.200 0.213 0.000 2.333 515 E HA -0.123 4.227 4.350 -0.001 0.000 0.198 515 E C 1.555 178.244 176.600 0.149 0.000 1.007 515 E CA 1.635 58.136 56.400 0.168 0.000 0.845 515 E CB -0.456 29.325 29.700 0.135 0.000 0.766 515 E HN 0.540 nan 8.360 nan 0.000 0.507 516 T N -0.608 114.037 114.554 0.151 0.000 2.904 516 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 516 T C 0.145 174.819 174.700 -0.043 0.000 1.059 516 T CA 0.718 62.834 62.100 0.026 0.000 1.137 516 T CB -0.287 68.558 68.868 -0.039 0.000 0.879 516 T HN 0.235 nan 8.240 nan 0.000 0.467 517 Y N 2.971 123.314 120.300 0.071 0.000 2.871 517 Y HA 0.138 4.688 4.550 -0.001 0.000 0.378 517 Y C 1.268 177.233 175.900 0.109 0.000 1.069 517 Y CA -0.762 57.361 58.100 0.038 0.000 1.662 517 Y CB -0.962 37.462 38.460 -0.061 0.000 1.561 517 Y HN 0.291 nan 8.280 nan 0.000 0.483 518 N N -1.859 116.963 118.700 0.203 0.000 2.362 518 N HA -0.119 4.620 4.740 -0.001 0.000 0.204 518 N C -0.063 175.567 175.510 0.199 0.000 1.166 518 N CA -0.456 52.711 53.050 0.194 0.000 0.831 518 N CB -0.325 38.240 38.487 0.130 0.000 1.008 518 N HN 0.371 nan 8.380 nan 0.000 0.472 519 W N 2.606 123.947 121.300 0.068 0.000 2.391 519 W HA 0.001 4.660 4.660 -0.001 0.000 0.339 519 W C 0.575 177.135 176.519 0.068 0.000 1.252 519 W CA 0.806 58.181 57.345 0.050 0.000 1.304 519 W CB -0.124 29.358 29.460 0.037 0.000 1.179 519 W HN 0.444 nan 8.180 nan 0.000 0.567 520 N N 5.622 123.807 118.700 -0.859 0.000 2.586 520 N HA -0.328 4.411 4.740 -0.001 0.000 0.282 520 N C -0.072 175.259 175.510 -0.298 0.000 1.171 520 N CA 0.773 53.335 53.050 -0.814 0.000 0.733 520 N CB -0.849 36.831 38.487 -1.345 0.000 0.910 520 N HN 0.828 nan 8.380 nan 0.000 0.548 521 N N 0.208 118.794 118.700 -0.190 0.000 2.696 521 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 521 N C -0.216 175.302 175.510 0.013 0.000 1.090 521 N CA 1.608 54.617 53.050 -0.067 0.000 0.716 521 N CB -1.394 37.049 38.487 -0.074 0.000 1.020 521 N HN 0.728 nan 8.380 nan 0.000 0.548 522 S N -3.102 112.635 115.700 0.062 0.000 3.576 522 S HA -0.225 4.244 4.470 -0.001 0.000 0.294 522 S C 1.254 175.963 174.600 0.182 0.000 1.224 522 S CA 0.929 59.217 58.200 0.146 0.000 0.866 522 S CB -1.591 61.687 63.200 0.130 0.000 1.017 522 S HN 0.673 nan 8.310 nan 0.000 0.597 523 S N -0.194 115.607 115.700 0.168 0.000 2.400 523 S HA -0.201 4.268 4.470 -0.001 0.000 0.234 523 S C 1.289 176.050 174.600 0.268 0.000 1.049 523 S CA 2.106 60.422 58.200 0.192 0.000 1.039 523 S CB -0.302 63.005 63.200 0.179 0.000 0.856 523 S HN 0.651 nan 8.310 nan 0.000 0.465 524 F N 1.175 121.232 119.950 0.178 0.000 2.084 524 F HA 0.019 4.546 4.527 -0.001 0.000 0.296 524 F C 1.887 177.782 175.800 0.158 0.000 1.111 524 F CA 1.464 59.567 58.000 0.171 0.000 1.224 524 F CB -0.496 38.597 39.000 0.155 0.000 0.991 524 F HN 0.285 nan 8.300 nan 0.000 0.471 525 L N 0.787 122.146 121.223 0.228 0.000 2.093 525 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 525 L C 2.321 179.214 176.870 0.038 0.000 1.085 525 L CA 1.551 56.445 54.840 0.090 0.000 0.755 525 L CB -0.828 41.319 42.059 0.147 0.000 0.904 525 L HN -0.045 nan 8.230 nan 0.000 0.435 526 R N -0.920 119.638 120.500 0.096 0.000 2.081 526 R HA -0.168 4.171 4.340 -0.001 0.000 0.235 526 R C 2.201 178.536 176.300 0.060 0.000 1.131 526 R CA 1.684 57.837 56.100 0.088 0.000 0.960 526 R CB -1.508 28.858 30.300 0.110 0.000 0.856 526 R HN 0.464 nan 8.270 nan 0.000 0.436 527 F N 2.440 122.338 119.950 -0.085 0.000 2.134 527 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 527 F C 1.861 177.552 175.800 -0.181 0.000 1.097 527 F CA 1.272 59.200 58.000 -0.121 0.000 1.264 527 F CB -0.289 38.629 39.000 -0.136 0.000 1.001 527 F HN -0.004 nan 8.300 nan 0.000 0.479 528 N N 0.685 119.246 118.700 -0.233 0.000 2.104 528 N HA -0.199 4.540 4.740 -0.001 0.000 0.190 528 N C 1.756 177.111 175.510 -0.258 0.000 1.024 528 N CA 1.815 54.664 53.050 -0.336 0.000 0.853 528 N CB -0.401 37.862 38.487 -0.372 0.000 1.008 528 N HN 0.528 nan 8.380 nan 0.000 0.424 529 E N 0.554 120.670 120.200 -0.141 0.000 2.077 529 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 529 E C 2.096 178.634 176.600 -0.104 0.000 0.989 529 E CA 0.757 57.118 56.400 -0.064 0.000 0.800 529 E CB -0.007 29.721 29.700 0.046 0.000 0.746 529 E HN 0.063 nan 8.360 nan 0.000 0.452 530 V N 1.561 121.385 119.914 -0.151 0.000 2.332 530 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 530 V C 2.255 178.210 176.094 -0.232 0.000 1.055 530 V CA 1.603 63.800 62.300 -0.171 0.000 1.038 530 V CB -0.401 31.298 31.823 -0.208 0.000 0.651 530 V HN 0.277 nan 8.190 nan 0.000 0.450 531 L N -0.328 120.680 121.223 -0.359 0.000 2.109 531 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 531 L C 2.542 179.276 176.870 -0.225 0.000 1.086 531 L CA 1.547 56.183 54.840 -0.340 0.000 0.760 531 L CB -0.634 41.145 42.059 -0.466 0.000 0.910 531 L HN 0.286 nan 8.230 nan 0.000 0.437 532 K N 0.669 120.949 120.400 -0.201 0.000 2.097 532 K HA -0.109 4.211 4.320 -0.001 0.000 0.205 532 K C 1.799 178.349 176.600 -0.084 0.000 1.050 532 K CA 1.318 57.519 56.287 -0.144 0.000 0.938 532 K CB -0.180 32.241 32.500 -0.132 0.000 0.718 532 K HN 0.186 nan 8.250 nan 0.000 0.442 533 N N 0.468 119.129 118.700 -0.065 0.000 2.309 533 N HA -0.093 4.646 4.740 -0.001 0.000 0.182 533 N C 1.548 177.039 175.510 -0.031 0.000 1.018 533 N CA 1.160 54.194 53.050 -0.027 0.000 0.876 533 N CB -0.140 38.344 38.487 -0.005 0.000 0.972 533 N HN 0.345 nan 8.380 nan 0.000 0.434 534 A N 0.942 123.727 122.820 -0.058 0.000 1.877 534 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 534 A C 2.322 179.883 177.584 -0.039 0.000 1.186 534 A CA 1.938 53.944 52.037 -0.052 0.000 0.620 534 A CB -0.681 18.272 19.000 -0.078 0.000 0.822 534 A HN 0.214 nan 8.150 nan 0.000 0.443 535 V N -3.632 116.251 119.914 -0.052 0.000 3.506 535 V HA 0.213 4.333 4.120 -0.001 0.000 0.263 535 V C 0.470 176.553 176.094 -0.019 0.000 1.203 535 V CA 1.564 63.843 62.300 -0.034 0.000 1.133 535 V CB 0.109 31.901 31.823 -0.051 0.000 0.802 535 V HN 0.372 nan 8.190 nan 0.000 0.459 536 D N 0.047 120.436 120.400 -0.019 0.000 3.060 536 D HA 0.351 4.990 4.640 -0.001 0.000 0.326 536 D C -1.752 174.562 176.300 0.024 0.000 1.253 536 D CA -1.638 52.364 54.000 0.003 0.000 0.737 536 D CB 1.113 41.909 40.800 -0.006 0.000 1.260 536 D HN 0.210 nan 8.370 nan 0.000 0.542 537 P HA -0.153 nan 4.420 nan 0.000 0.218 537 P C 0.788 178.117 177.300 0.048 0.000 1.154 537 P CA 1.179 64.295 63.100 0.027 0.000 0.872 537 P CB 0.267 31.979 31.700 0.020 0.000 0.790 538 N N -1.758 116.978 118.700 0.059 0.000 2.336 538 N HA 0.123 4.862 4.740 -0.001 0.000 0.189 538 N C 1.052 176.634 175.510 0.120 0.000 1.113 538 N CA 0.944 54.044 53.050 0.083 0.000 0.858 538 N CB -0.486 38.056 38.487 0.092 0.000 0.970 538 N HN 0.165 nan 8.380 nan 0.000 0.471 539 G N 1.524 110.394 108.800 0.117 0.000 2.323 539 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.292 539 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.292 539 G C 0.690 175.676 174.900 0.145 0.000 1.040 539 G CA 0.130 45.320 45.100 0.149 0.000 0.942 539 G HN 0.291 nan 8.290 nan 0.000 0.506 540 I N -0.701 119.934 120.570 0.110 0.000 3.427 540 I HA 0.200 4.370 4.170 -0.001 0.000 0.288 540 I C 0.996 177.165 176.117 0.086 0.000 1.249 540 I CA 0.041 61.418 61.300 0.129 0.000 1.421 540 I CB -0.540 37.541 38.000 0.135 0.000 1.086 540 I HN 0.140 nan 8.210 nan 0.000 0.448 541 I N 1.987 122.572 120.570 0.025 0.000 2.312 541 I HA 0.323 4.493 4.170 -0.001 0.000 0.290 541 I C 1.049 177.117 176.117 -0.082 0.000 1.008 541 I CA -0.865 60.420 61.300 -0.024 0.000 1.226 541 I CB 0.304 38.272 38.000 -0.054 0.000 1.371 541 I HN 0.164 nan 8.210 nan 0.000 0.468 542 A N 7.908 130.694 122.820 -0.057 0.000 2.261 542 A HA -0.135 4.184 4.320 -0.001 0.000 0.282 542 A C -2.131 175.359 177.584 -0.156 0.000 1.403 542 A CA -0.269 51.737 52.037 -0.052 0.000 0.753 542 A CB -1.790 16.988 19.000 -0.371 0.000 1.125 542 A HN 0.535 nan 8.150 nan 0.000 0.358 543 P HA 0.369 nan 4.420 nan 0.000 0.271 543 P C 1.245 177.953 177.300 -0.986 0.000 1.216 543 P CA 1.428 64.178 63.100 -0.584 0.000 0.776 543 P CB 0.987 32.143 31.700 -0.906 0.000 0.881 544 G N 1.452 109.311 108.800 -1.569 0.000 2.241 544 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 544 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 544 G C 0.325 174.667 174.900 -0.931 0.000 0.998 544 G CA 0.356 44.073 45.100 -2.304 0.000 0.621 544 G HN 0.761 nan 8.290 nan 0.000 0.519 545 K N 1.642 121.750 120.400 -0.486 0.000 2.489 545 K HA 0.421 4.741 4.320 -0.001 0.000 0.278 545 K C 1.294 177.727 176.600 -0.277 0.000 1.000 545 K CA 1.210 57.365 56.287 -0.221 0.000 1.012 545 K CB 0.026 32.388 32.500 -0.230 0.000 0.903 545 K HN 0.928 nan 8.250 nan 0.000 0.485 546 S N 2.456 118.049 115.700 -0.178 0.000 3.319 546 S HA -0.204 4.265 4.470 -0.001 0.000 0.319 546 S C 0.869 175.398 174.600 -0.118 0.000 1.236 546 S CA 1.300 59.418 58.200 -0.137 0.000 0.964 546 S CB -2.158 60.948 63.200 -0.157 0.000 1.040 546 S HN 1.473 nan 8.310 nan 0.000 0.620 547 G N -1.209 107.475 108.800 -0.193 0.000 2.147 547 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 547 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 547 G C -0.048 174.696 174.900 -0.261 0.000 1.005 547 G CA 0.002 45.007 45.100 -0.159 0.000 0.713 547 G HN 1.233 nan 8.290 nan 0.000 0.515 548 V N 0.317 119.992 119.914 -0.397 0.000 2.348 548 V HA 0.577 4.697 4.120 -0.001 0.000 0.270 548 V C 0.121 175.978 176.094 -0.394 0.000 1.037 548 V CA -0.615 61.520 62.300 -0.274 0.000 0.872 548 V CB 0.502 32.202 31.823 -0.205 0.000 1.002 548 V HN 0.310 nan 8.190 nan 0.000 0.464 549 W N 6.985 128.300 121.300 0.026 0.000 2.433 549 W HA 0.509 5.169 4.660 -0.001 0.000 0.315 549 W C -1.978 174.594 176.519 0.088 0.000 1.087 549 W CA -2.288 55.095 57.345 0.064 0.000 1.205 549 W CB 0.957 30.565 29.460 0.247 0.000 1.288 549 W HN 0.328 nan 8.180 nan 0.000 0.504 550 P HA -0.034 nan 4.420 nan 0.000 0.270 550 P C 0.836 178.324 177.300 0.314 0.000 1.223 550 P CA 0.199 63.447 63.100 0.246 0.000 0.785 550 P CB 1.034 32.898 31.700 0.274 0.000 0.923 551 S N 0.738 116.550 115.700 0.186 0.000 2.447 551 S HA -0.192 4.277 4.470 -0.001 0.000 0.233 551 S C 1.511 176.173 174.600 0.103 0.000 1.006 551 S CA 0.609 58.880 58.200 0.118 0.000 0.957 551 S CB -0.836 62.399 63.200 0.059 0.000 0.773 551 S HN 0.518 nan 8.310 nan 0.000 0.507 552 Q N 0.057 119.941 119.800 0.141 0.000 2.364 552 Q HA -0.008 4.332 4.340 -0.001 0.000 0.207 552 Q C -0.414 175.544 176.000 -0.070 0.000 0.970 552 Q CA 0.701 56.523 55.803 0.032 0.000 0.888 552 Q CB -0.765 27.991 28.738 0.029 0.000 0.951 552 Q HN 0.715 nan 8.270 nan 0.000 0.469 553 Y N 1.401 121.765 120.300 0.107 0.000 2.353 553 Y HA 0.272 4.822 4.550 -0.001 0.000 0.340 553 Y C 0.235 176.198 175.900 0.106 0.000 0.972 553 Y CA -0.883 57.298 58.100 0.135 0.000 1.157 553 Y CB 1.633 40.114 38.460 0.035 0.000 1.157 553 Y HN -0.109 nan 8.280 nan 0.000 0.495 554 S N 3.481 119.333 115.700 0.253 0.000 2.488 554 S HA 0.019 4.489 4.470 -0.001 0.000 0.278 554 S C 1.057 175.662 174.600 0.008 0.000 1.259 554 S CA -0.563 57.653 58.200 0.025 0.000 1.061 554 S CB 0.167 63.343 63.200 -0.040 0.000 0.910 554 S HN 0.666 nan 8.310 nan 0.000 0.491 555 H N 4.090 123.122 119.070 -0.063 0.000 2.422 555 H HA -0.059 4.496 4.556 -0.001 0.000 0.298 555 H C 2.056 177.317 175.328 -0.112 0.000 1.098 555 H CA 1.399 57.379 56.048 -0.113 0.000 1.315 555 H CB -0.620 29.140 29.762 -0.004 0.000 1.382 555 H HN 0.461 nan 8.280 nan 0.000 0.523 556 V N 0.475 120.394 119.914 0.009 0.000 2.427 556 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 556 V C 2.209 178.214 176.094 -0.148 0.000 1.051 556 V CA 2.197 64.466 62.300 -0.051 0.000 1.048 556 V CB -0.507 31.280 31.823 -0.061 0.000 0.666 556 V HN 0.472 nan 8.190 nan 0.000 0.456 557 T N -1.756 112.646 114.554 -0.254 0.000 3.009 557 T HA -0.092 4.257 4.350 -0.001 0.000 0.258 557 T C 1.450 175.753 174.700 -0.661 0.000 1.063 557 T CA 1.065 62.856 62.100 -0.516 0.000 1.139 557 T CB -0.194 68.240 68.868 -0.722 0.000 0.890 557 T HN 0.608 nan 8.240 nan 0.000 0.471 558 W N 1.930 123.040 121.300 -0.317 0.000 2.525 558 W HA 0.286 4.946 4.660 -0.001 0.000 0.288 558 W C 1.094 177.447 176.519 -0.276 0.000 1.200 558 W CA -0.486 56.544 57.345 -0.525 0.000 1.349 558 W CB -0.068 28.582 29.460 -1.350 0.000 1.102 558 W HN -0.049 nan 8.180 nan 0.000 0.558 559 K N 1.112 121.511 120.400 -0.001 0.000 2.229 559 K HA 0.328 4.648 4.320 -0.001 0.000 0.250 559 K C -0.120 176.593 176.600 0.190 0.000 1.016 559 K CA 0.366 56.768 56.287 0.191 0.000 0.866 559 K CB 0.212 32.796 32.500 0.141 0.000 1.028 559 K HN -0.022 nan 8.250 nan 0.000 0.514 560 L N 0.000 121.348 121.223 0.209 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.935 54.840 0.158 0.000 0.813 560 L CB 0.000 42.171 42.059 0.187 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502