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 2p2m_1_B DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGR IIDSSSRLVI TADEGVRAGA SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDXX XXXXXXXXAD PGVVEKLLEE KQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.198 175.328 -0.217 0.000 0.993 5 H CA 0.000 55.941 56.048 -0.178 0.000 1.023 5 H CB 0.000 29.639 29.762 -0.205 0.000 1.292 6 K N 3.857 123.879 120.400 -0.631 0.000 2.185 6 K HA 0.254 4.575 4.320 0.001 0.000 0.269 6 K C -0.387 175.833 176.600 -0.634 0.000 0.987 6 K CA -0.839 55.169 56.287 -0.465 0.000 0.865 6 K CB 0.969 33.295 32.500 -0.290 0.000 1.090 6 K HN 0.450 nan 8.250 nan 0.000 0.450 7 H N 1.776 120.683 119.070 -0.272 0.000 2.864 7 H HA 0.123 4.679 4.556 0.001 0.000 0.281 7 H C 0.116 175.424 175.328 -0.032 0.000 1.093 7 H CA -0.303 55.677 56.048 -0.114 0.000 1.453 7 H CB 1.028 30.768 29.762 -0.036 0.000 1.462 7 H HN 0.684 nan 8.280 nan 0.000 0.480 8 A N 4.472 127.324 122.820 0.053 0.000 2.406 8 A HA 0.185 4.505 4.320 0.001 0.000 0.243 8 A C 0.620 178.278 177.584 0.124 0.000 1.082 8 A CA -0.472 51.602 52.037 0.060 0.000 0.786 8 A CB 0.127 19.144 19.000 0.029 0.000 1.029 8 A HN 0.740 nan 8.150 nan 0.000 0.495 9 I N 2.325 122.950 120.570 0.091 0.000 2.533 9 I HA 0.159 4.330 4.170 0.001 0.000 0.284 9 I C -1.763 174.411 176.117 0.095 0.000 1.109 9 I CA -1.199 60.159 61.300 0.096 0.000 1.412 9 I CB 0.535 38.575 38.000 0.068 0.000 1.396 9 I HN 0.450 nan 8.210 nan 0.000 0.543 10 P HA 0.150 nan 4.420 nan 0.000 0.274 10 P C 0.378 177.713 177.300 0.059 0.000 1.231 10 P CA -0.387 62.767 63.100 0.090 0.000 0.790 10 P CB 0.995 32.749 31.700 0.091 0.000 0.951 11 A N 3.169 126.017 122.820 0.047 0.000 1.917 11 A HA -0.250 4.071 4.320 0.001 0.000 0.219 11 A C 1.944 179.543 177.584 0.024 0.000 1.182 11 A CA 2.053 54.110 52.037 0.033 0.000 0.633 11 A CB -1.416 17.601 19.000 0.027 0.000 0.819 11 A HN 0.772 nan 8.150 nan 0.000 0.448 12 N N 0.508 119.217 118.700 0.015 0.000 2.104 12 N HA -0.181 4.559 4.740 0.001 0.000 0.190 12 N C 1.532 177.041 175.510 -0.001 0.000 1.024 12 N CA 2.039 55.088 53.050 -0.001 0.000 0.853 12 N CB -0.535 37.943 38.487 -0.015 0.000 1.008 12 N HN 0.408 nan 8.380 nan 0.000 0.424 13 I N 1.732 122.312 120.570 0.017 0.000 2.233 13 I HA -0.052 4.119 4.170 0.001 0.000 0.243 13 I C 2.789 178.933 176.117 0.045 0.000 1.093 13 I CA 0.931 62.249 61.300 0.030 0.000 1.380 13 I CB -1.681 36.348 38.000 0.049 0.000 1.067 13 I HN 0.186 nan 8.210 nan 0.000 0.413 14 A N 0.880 123.728 122.820 0.047 0.000 1.917 14 A HA -0.257 4.064 4.320 0.001 0.000 0.219 14 A C 1.929 179.542 177.584 0.049 0.000 1.182 14 A CA 2.284 54.352 52.037 0.051 0.000 0.633 14 A CB -0.714 18.314 19.000 0.045 0.000 0.819 14 A HN 0.388 nan 8.150 nan 0.000 0.448 15 D N -0.988 119.434 120.400 0.036 0.000 2.219 15 D HA -0.102 4.539 4.640 0.001 0.000 0.205 15 D C 2.054 178.380 176.300 0.043 0.000 0.970 15 D CA 1.525 55.545 54.000 0.033 0.000 0.851 15 D CB -0.158 40.653 40.800 0.018 0.000 0.943 15 D HN 0.821 nan 8.370 nan 0.000 0.488 16 R N 0.174 120.699 120.500 0.042 0.000 2.404 16 R HA 0.158 4.499 4.340 0.001 0.000 0.237 16 R C 0.807 177.225 176.300 0.197 0.000 0.907 16 R CA -0.219 55.920 56.100 0.064 0.000 1.063 16 R CB -0.750 29.486 30.300 -0.106 0.000 1.134 16 R HN 0.152 nan 8.270 nan 0.000 0.529 17 C N 0.607 120.002 119.300 0.157 0.000 2.657 17 C HA 0.236 4.696 4.460 0.001 0.000 0.420 17 C C 1.884 176.995 174.990 0.202 0.000 1.323 17 C CA -0.859 58.276 59.018 0.196 0.000 1.894 17 C CB 0.010 27.829 27.740 0.132 0.000 2.681 17 C HN 0.499 nan 8.230 nan 0.000 0.613 18 L N 2.095 123.450 121.223 0.220 0.000 2.056 18 L HA 0.098 4.438 4.340 0.001 0.000 0.207 18 L C 0.868 177.824 176.870 0.143 0.000 1.078 18 L CA 1.131 56.089 54.840 0.196 0.000 0.749 18 L CB -0.408 41.832 42.059 0.302 0.000 0.901 18 L HN 0.666 nan 8.230 nan 0.000 0.433 19 I N 1.011 121.658 120.570 0.129 0.000 2.411 19 I HA 0.180 4.350 4.170 0.001 0.000 0.284 19 I C -0.532 175.645 176.117 0.101 0.000 1.012 19 I CA -0.698 60.650 61.300 0.081 0.000 1.119 19 I CB 1.036 39.082 38.000 0.076 0.000 1.261 19 I HN 0.160 nan 8.210 nan 0.000 0.448 20 N N 7.730 126.484 118.700 0.091 0.000 2.405 20 N HA 0.433 5.173 4.740 0.001 0.000 0.269 20 N C -2.319 173.255 175.510 0.107 0.000 1.249 20 N CA -1.541 51.560 53.050 0.085 0.000 0.974 20 N CB 0.075 38.604 38.487 0.070 0.000 1.204 20 N HN 0.131 nan 8.380 nan 0.000 0.565 21 P HA -0.144 nan 4.420 nan 0.000 0.217 21 P C 0.963 178.351 177.300 0.147 0.000 1.150 21 P CA 1.373 64.541 63.100 0.114 0.000 0.832 21 P CB 0.151 31.896 31.700 0.075 0.000 0.787 22 E N -0.191 120.069 120.200 0.099 0.000 2.072 22 E HA -0.210 4.141 4.350 0.001 0.000 0.191 22 E C 2.027 178.668 176.600 0.069 0.000 0.985 22 E CA 0.912 57.358 56.400 0.076 0.000 0.801 22 E CB -0.197 29.532 29.700 0.048 0.000 0.750 22 E HN 0.257 nan 8.360 nan 0.000 0.452 23 Q N -0.587 119.256 119.800 0.072 0.000 2.084 23 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 23 Q C 1.986 178.031 176.000 0.075 0.000 0.978 23 Q CA 1.709 57.537 55.803 0.041 0.000 0.844 23 Q CB -0.315 28.443 28.738 0.033 0.000 0.898 23 Q HN 0.403 nan 8.270 nan 0.000 0.426 24 Y N 1.861 122.212 120.300 0.085 0.000 2.097 24 Y HA -0.259 4.292 4.550 0.001 0.000 0.282 24 Y C 2.061 178.069 175.900 0.180 0.000 1.152 24 Y CA 1.627 59.846 58.100 0.199 0.000 1.136 24 Y CB 0.034 38.548 38.460 0.091 0.000 0.975 24 Y HN 0.019 nan 8.280 nan 0.000 0.498 25 E N -0.423 119.792 120.200 0.025 0.000 2.077 25 E HA -0.160 4.191 4.350 0.001 0.000 0.193 25 E C 2.203 178.745 176.600 -0.098 0.000 0.989 25 E CA 1.836 58.201 56.400 -0.058 0.000 0.800 25 E CB -0.654 29.088 29.700 0.070 0.000 0.746 25 E HN 0.521 nan 8.360 nan 0.000 0.452 26 T N 1.485 115.991 114.554 -0.080 0.000 2.737 26 T HA -0.089 4.261 4.350 0.001 0.000 0.265 26 T C 1.902 176.483 174.700 -0.199 0.000 1.038 26 T CA 1.180 63.219 62.100 -0.102 0.000 1.144 26 T CB -0.036 68.791 68.868 -0.068 0.000 0.866 26 T HN 0.123 nan 8.240 nan 0.000 0.434 27 K N -0.061 120.159 120.400 -0.301 0.000 2.057 27 K HA -0.075 4.245 4.320 0.001 0.000 0.206 27 K C 2.153 178.300 176.600 -0.756 0.000 1.050 27 K CA 1.162 57.104 56.287 -0.575 0.000 0.935 27 K CB -0.287 31.602 32.500 -1.019 0.000 0.715 27 K HN 0.361 nan 8.250 nan 0.000 0.439 28 Y N 2.112 122.058 120.300 -0.591 0.000 2.145 28 Y HA -0.310 4.241 4.550 0.001 0.000 0.286 28 Y C 2.534 178.217 175.900 -0.363 0.000 1.145 28 Y CA 2.632 60.467 58.100 -0.441 0.000 1.148 28 Y CB -0.418 37.708 38.460 -0.557 0.000 0.981 28 Y HN -0.007 nan 8.280 nan 0.000 0.507 29 K N 0.623 120.882 120.400 -0.235 0.000 2.032 29 K HA -0.267 4.054 4.320 0.001 0.000 0.209 29 K C 2.118 178.550 176.600 -0.280 0.000 1.048 29 K CA 2.018 58.184 56.287 -0.202 0.000 0.927 29 K CB -1.249 31.202 32.500 -0.082 0.000 0.712 29 K HN 0.687 nan 8.250 nan 0.000 0.441 30 Q N 0.517 120.141 119.800 -0.293 0.000 2.084 30 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 30 Q C 2.432 178.227 176.000 -0.341 0.000 0.978 30 Q CA 2.192 57.856 55.803 -0.231 0.000 0.844 30 Q CB -0.203 28.465 28.738 -0.118 0.000 0.898 30 Q HN 0.799 nan 8.270 nan 0.000 0.426 31 S N -0.214 115.026 115.700 -0.766 0.000 2.399 31 S HA -0.130 4.340 4.470 0.001 0.000 0.231 31 S C 1.775 176.160 174.600 -0.359 0.000 1.022 31 S CA 0.987 58.649 58.200 -0.896 0.000 0.983 31 S CB -0.184 62.110 63.200 -1.510 0.000 0.803 31 S HN 0.333 nan 8.310 nan 0.000 0.480 32 I N 2.790 123.109 120.570 -0.418 0.000 2.429 32 I HA 0.087 4.257 4.170 0.001 0.000 0.247 32 I C 1.951 178.003 176.117 -0.108 0.000 1.099 32 I CA 0.587 61.736 61.300 -0.251 0.000 1.422 32 I CB -1.660 36.114 38.000 -0.376 0.000 1.112 32 I HN 0.279 nan 8.210 nan 0.000 0.430 33 N N 0.498 119.128 118.700 -0.117 0.000 2.216 33 N HA -0.107 4.633 4.740 0.001 0.000 0.183 33 N C 0.424 175.922 175.510 -0.019 0.000 1.017 33 N CA 1.050 54.069 53.050 -0.053 0.000 0.861 33 N CB 0.038 38.494 38.487 -0.053 0.000 0.986 33 N HN 0.256 nan 8.380 nan 0.000 0.428 34 D N -0.518 119.873 120.400 -0.014 0.000 2.621 34 D HA 0.187 4.827 4.640 0.001 0.000 0.274 34 D C -2.017 174.345 176.300 0.104 0.000 1.215 34 D CA -1.735 52.286 54.000 0.035 0.000 0.810 34 D CB 1.030 41.845 40.800 0.026 0.000 1.248 34 D HN -0.026 nan 8.370 nan 0.000 0.517 35 P HA -0.075 nan 4.420 nan 0.000 0.220 35 P C 0.825 178.379 177.300 0.424 0.000 1.148 35 P CA 0.681 64.008 63.100 0.379 0.000 0.803 35 P CB 0.744 32.723 31.700 0.466 0.000 0.782 36 D N -0.488 120.049 120.400 0.230 0.000 2.117 36 D HA -0.094 4.546 4.640 0.001 0.000 0.197 36 D C 1.936 178.355 176.300 0.198 0.000 0.987 36 D CA 1.473 55.582 54.000 0.182 0.000 0.829 36 D CB -0.821 40.025 40.800 0.077 0.000 0.961 36 D HN 0.148 nan 8.370 nan 0.000 0.460 37 T N 0.316 114.963 114.554 0.154 0.000 2.770 37 T HA -0.093 4.258 4.350 0.001 0.000 0.263 37 T C 1.736 176.503 174.700 0.113 0.000 1.039 37 T CA 0.517 62.687 62.100 0.117 0.000 1.142 37 T CB -0.482 68.428 68.868 0.071 0.000 0.868 37 T HN 0.096 nan 8.240 nan 0.000 0.435 38 F N 0.477 120.405 119.950 -0.037 0.000 2.046 38 F HA -0.116 4.411 4.527 0.001 0.000 0.297 38 F C 1.856 177.574 175.800 -0.137 0.000 1.123 38 F CA 1.382 59.261 58.000 -0.201 0.000 1.199 38 F CB -0.447 38.305 39.000 -0.412 0.000 0.972 38 F HN 0.204 nan 8.300 nan 0.000 0.474 39 W N 0.231 121.717 121.300 0.309 0.000 2.519 39 W HA 0.080 4.741 4.660 0.001 0.000 0.266 39 W C 2.561 179.260 176.519 0.300 0.000 1.253 39 W CA 0.736 58.257 57.345 0.293 0.000 1.274 39 W CB -0.970 28.742 29.460 0.420 0.000 1.114 39 W HN 0.153 nan 8.180 nan 0.000 0.596 40 G N 0.748 109.803 108.800 0.424 0.000 2.418 40 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 40 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 40 G C 1.242 176.338 174.900 0.328 0.000 1.158 40 G CA 1.142 46.497 45.100 0.425 0.000 0.771 40 G HN 0.296 nan 8.290 nan 0.000 0.545 41 E N -0.385 119.890 120.200 0.125 0.000 2.046 41 E HA -0.109 4.241 4.350 0.001 0.000 0.190 41 E C 2.491 179.101 176.600 0.017 0.000 0.982 41 E CA 1.014 57.428 56.400 0.022 0.000 0.800 41 E CB -0.105 29.539 29.700 -0.093 0.000 0.756 41 E HN 0.353 nan 8.360 nan 0.000 0.449 42 Q N 0.736 120.489 119.800 -0.079 0.000 2.167 42 Q HA -0.061 4.279 4.340 0.001 0.000 0.202 42 Q C 1.984 178.133 176.000 0.247 0.000 0.970 42 Q CA 1.613 57.397 55.803 -0.032 0.000 0.855 42 Q CB -0.597 27.924 28.738 -0.362 0.000 0.911 42 Q HN 0.279 nan 8.270 nan 0.000 0.438 43 G N 0.329 109.346 108.800 0.362 0.000 2.501 43 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 43 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 43 G C 1.123 176.278 174.900 0.425 0.000 1.114 43 G CA 0.607 45.889 45.100 0.303 0.000 0.757 43 G HN 0.212 nan 8.290 nan 0.000 0.559 44 K N 0.233 120.813 120.400 0.300 0.000 2.574 44 K HA 0.117 4.438 4.320 0.001 0.000 0.193 44 K C 1.933 178.651 176.600 0.195 0.000 1.035 44 K CA -0.075 56.356 56.287 0.241 0.000 0.982 44 K CB -0.276 32.295 32.500 0.118 0.000 0.795 44 K HN 0.486 nan 8.250 nan 0.000 0.491 45 I N 0.597 121.277 120.570 0.184 0.000 2.530 45 I HA -0.160 4.010 4.170 0.001 0.000 0.257 45 I C 0.190 176.358 176.117 0.085 0.000 1.179 45 I CA 0.706 62.078 61.300 0.119 0.000 1.440 45 I CB 0.271 38.339 38.000 0.112 0.000 1.087 45 I HN 0.002 nan 8.210 nan 0.000 0.440 46 L N 0.507 121.803 121.223 0.122 0.000 2.334 46 L HA 0.357 4.698 4.340 0.001 0.000 0.272 46 L C -0.669 176.180 176.870 -0.035 0.000 1.020 46 L CA -1.047 53.760 54.840 -0.055 0.000 0.812 46 L CB 1.057 42.945 42.059 -0.285 0.000 1.264 46 L HN -0.126 nan 8.230 nan 0.000 0.439 47 D N 0.771 121.078 120.400 -0.154 0.000 2.308 47 D HA 0.267 4.908 4.640 0.001 0.000 0.251 47 D C -1.046 175.115 176.300 -0.232 0.000 1.127 47 D CA 0.308 54.256 54.000 -0.087 0.000 0.876 47 D CB 0.754 41.493 40.800 -0.100 0.000 1.176 47 D HN 0.145 nan 8.370 nan 0.000 0.446 48 W N 1.960 123.238 121.300 -0.036 0.000 2.666 48 W HA 0.421 5.081 4.660 0.001 0.000 0.334 48 W C 1.146 177.648 176.519 -0.028 0.000 1.051 48 W CA -0.664 56.667 57.345 -0.023 0.000 1.224 48 W CB 0.825 30.261 29.460 -0.039 0.000 1.405 48 W HN 0.316 nan 8.180 nan 0.000 0.513 49 I N 1.198 121.878 120.570 0.184 0.000 2.206 49 I HA -0.078 4.092 4.170 0.001 0.000 0.239 49 I C 1.339 177.526 176.117 0.117 0.000 1.078 49 I CA 1.038 62.402 61.300 0.107 0.000 1.367 49 I CB -0.312 37.727 38.000 0.064 0.000 1.078 49 I HN 0.374 nan 8.210 nan 0.000 0.413 50 T N 0.231 114.878 114.554 0.155 0.000 2.771 50 T HA 0.424 4.774 4.350 0.001 0.000 0.281 50 T C -2.569 172.200 174.700 0.116 0.000 0.982 50 T CA -2.274 59.892 62.100 0.109 0.000 0.978 50 T CB 1.452 70.371 68.868 0.086 0.000 0.930 50 T HN -0.113 nan 8.240 nan 0.000 0.447 51 P HA 0.122 nan 4.420 nan 0.000 0.268 51 P C -0.426 176.734 177.300 -0.233 0.000 1.205 51 P CA -0.371 62.594 63.100 -0.226 0.000 0.771 51 P CB 0.168 31.714 31.700 -0.258 0.000 0.858 52 Y N 0.084 120.194 120.300 -0.318 0.000 2.314 52 Y HA 0.304 4.854 4.550 0.001 0.000 0.334 52 Y C 1.543 177.369 175.900 -0.124 0.000 1.266 52 Y CA -0.337 57.630 58.100 -0.222 0.000 1.391 52 Y CB 0.100 38.368 38.460 -0.320 0.000 1.306 52 Y HN 0.430 nan 8.280 nan 0.000 0.558 53 Q N 0.151 120.051 119.800 0.166 0.000 2.586 53 Q HA 0.246 4.586 4.340 0.001 0.000 0.243 53 Q C -0.318 175.768 176.000 0.143 0.000 0.846 53 Q CA -0.163 55.708 55.803 0.113 0.000 0.959 53 Q CB 0.607 29.368 28.738 0.038 0.000 1.227 53 Q HN 0.696 nan 8.270 nan 0.000 0.611 54 K N 0.701 121.159 120.400 0.098 0.000 2.322 54 K HA 0.132 4.452 4.320 0.001 0.000 0.283 54 K C 0.047 176.637 176.600 -0.017 0.000 1.042 54 K CA -0.329 55.969 56.287 0.018 0.000 0.958 54 K CB 1.717 34.200 32.500 -0.028 0.000 0.984 54 K HN -0.013 nan 8.250 nan 0.000 0.473 55 V N 2.695 122.550 119.914 -0.098 0.000 3.149 55 V HA 0.038 4.158 4.120 0.001 0.000 0.217 55 V C 0.291 176.101 176.094 -0.474 0.000 1.152 55 V CA 0.365 62.524 62.300 -0.235 0.000 1.286 55 V CB 0.022 31.831 31.823 -0.023 0.000 1.179 55 V HN 0.626 nan 8.190 nan 0.000 0.509 56 K N 1.938 122.023 120.400 -0.525 0.000 2.234 56 K HA 0.295 4.615 4.320 0.001 0.000 0.277 56 K C -0.866 175.328 176.600 -0.677 0.000 1.038 56 K CA -0.149 55.524 56.287 -1.023 0.000 0.888 56 K CB 0.436 32.395 32.500 -0.901 0.000 1.091 56 K HN 0.346 nan 8.250 nan 0.000 0.467 57 N N 3.096 121.346 118.700 -0.749 0.000 2.725 57 N HA 0.112 4.852 4.740 0.001 0.000 0.248 57 N C -1.872 173.387 175.510 -0.418 0.000 1.402 57 N CA -0.313 52.470 53.050 -0.445 0.000 0.766 57 N CB 1.137 39.442 38.487 -0.303 0.000 1.223 57 N HN 0.673 nan 8.380 nan 0.000 0.515 58 T N -1.759 112.554 114.554 -0.401 0.000 2.906 58 T HA 0.802 5.152 4.350 0.001 0.000 0.295 58 T C -0.781 173.784 174.700 -0.224 0.000 1.075 58 T CA -0.776 61.139 62.100 -0.308 0.000 1.005 58 T CB 1.875 70.524 68.868 -0.365 0.000 1.136 58 T HN 0.081 nan 8.240 nan 0.000 0.498 59 S N 0.356 115.979 115.700 -0.128 0.000 2.566 59 S HA 0.529 4.999 4.470 0.001 0.000 0.273 59 S C -0.947 173.738 174.600 0.143 0.000 1.157 59 S CA -0.895 57.267 58.200 -0.064 0.000 0.938 59 S CB 0.795 63.977 63.200 -0.030 0.000 1.087 59 S HN 0.735 nan 8.310 nan 0.000 0.474 60 F N 2.311 122.250 119.950 -0.017 0.000 2.639 60 F HA 0.353 4.881 4.527 0.001 0.000 0.302 60 F C 1.469 177.266 175.800 -0.004 0.000 1.097 60 F CA -0.631 57.343 58.000 -0.043 0.000 1.294 60 F CB 0.406 39.544 39.000 0.229 0.000 1.027 60 F HN 0.711 nan 8.300 nan 0.000 0.550 61 A N 1.812 124.729 122.820 0.161 0.000 2.540 61 A HA 0.193 4.514 4.320 0.001 0.000 0.239 61 A C -2.318 175.318 177.584 0.086 0.000 1.061 61 A CA -1.055 51.050 52.037 0.113 0.000 0.758 61 A CB -0.422 18.618 19.000 0.067 0.000 0.991 61 A HN -0.017 nan 8.150 nan 0.000 0.502 62 P HA 0.272 nan 4.420 nan 0.000 0.268 62 P C 1.026 178.356 177.300 0.051 0.000 1.204 62 P CA 1.613 64.757 63.100 0.074 0.000 0.768 62 P CB 0.674 32.417 31.700 0.071 0.000 0.842 63 G N 2.531 111.357 108.800 0.043 0.000 2.189 63 G HA2 -0.315 3.645 3.960 0.001 0.000 0.267 63 G HA3 -0.315 3.645 3.960 0.001 0.000 0.267 63 G C 0.423 175.353 174.900 0.050 0.000 0.975 63 G CA 0.333 45.458 45.100 0.041 0.000 0.644 63 G HN 0.705 nan 8.290 nan 0.000 0.537 64 N N -0.853 117.877 118.700 0.050 0.000 2.570 64 N HA 0.231 4.971 4.740 0.001 0.000 0.261 64 N C -0.153 175.393 175.510 0.062 0.000 1.540 64 N CA -0.344 52.742 53.050 0.060 0.000 0.959 64 N CB 0.687 39.197 38.487 0.038 0.000 1.449 64 N HN 0.079 nan 8.380 nan 0.000 0.519 65 V N 1.303 121.257 119.914 0.065 0.000 2.572 65 V HA 0.270 4.391 4.120 0.001 0.000 0.291 65 V C 0.337 176.540 176.094 0.182 0.000 1.039 65 V CA 0.453 62.765 62.300 0.020 0.000 1.055 65 V CB 1.200 32.847 31.823 -0.294 0.000 0.969 65 V HN 0.300 nan 8.190 nan 0.000 0.482 66 S N 5.761 121.517 115.700 0.093 0.000 2.603 66 S HA 0.698 5.169 4.470 0.001 0.000 0.274 66 S C -1.158 173.450 174.600 0.013 0.000 1.168 66 S CA -0.552 57.672 58.200 0.042 0.000 0.963 66 S CB 0.840 64.025 63.200 -0.025 0.000 1.078 66 S HN 0.508 nan 8.310 nan 0.000 0.477 67 I N 4.435 125.010 120.570 0.009 0.000 2.439 67 I HA 0.521 4.691 4.170 0.001 0.000 0.285 67 I C -0.496 175.580 176.117 -0.068 0.000 1.021 67 I CA -0.395 60.898 61.300 -0.012 0.000 1.091 67 I CB 1.875 39.935 38.000 0.100 0.000 1.242 67 I HN 0.430 nan 8.210 nan 0.000 0.439 68 K N 5.102 125.383 120.400 -0.198 0.000 2.468 68 K HA 0.580 4.900 4.320 0.001 0.000 0.252 68 K C -1.931 174.441 176.600 -0.380 0.000 0.932 68 K CA -0.716 55.469 56.287 -0.171 0.000 0.794 68 K CB 2.466 34.872 32.500 -0.157 0.000 1.241 68 K HN 0.343 nan 8.250 nan 0.000 0.428 69 W N 1.823 123.009 121.300 -0.189 0.000 2.883 69 W HA 0.290 4.950 4.660 0.001 0.000 0.335 69 W C -0.474 175.923 176.519 -0.203 0.000 1.083 69 W CA -0.254 56.878 57.345 -0.356 0.000 1.233 69 W CB 0.816 30.004 29.460 -0.455 0.000 1.412 69 W HN 0.661 nan 8.180 nan 0.000 0.490 70 Y N 0.233 120.551 120.300 0.031 0.000 3.721 70 Y HA -0.397 4.153 4.550 0.001 0.000 0.218 70 Y C 1.927 177.850 175.900 0.037 0.000 1.188 70 Y CA 1.084 59.105 58.100 -0.132 0.000 1.607 70 Y CB -1.387 36.926 38.460 -0.245 0.000 1.496 70 Y HN 0.621 nan 8.280 nan 0.000 0.626 71 E N 0.831 121.100 120.200 0.115 0.000 2.204 71 E HA -0.204 4.146 4.350 0.001 0.000 0.195 71 E C 1.132 177.804 176.600 0.120 0.000 0.990 71 E CA 1.541 58.004 56.400 0.105 0.000 0.821 71 E CB -0.101 29.608 29.700 0.015 0.000 0.750 71 E HN 0.674 nan 8.360 nan 0.000 0.477 72 D N 0.880 121.353 120.400 0.122 0.000 2.358 72 D HA 0.150 4.790 4.640 0.001 0.000 0.224 72 D C 0.478 176.873 176.300 0.157 0.000 1.123 72 D CA -0.118 53.950 54.000 0.112 0.000 0.833 72 D CB 0.186 41.028 40.800 0.071 0.000 0.946 72 D HN 0.174 nan 8.370 nan 0.000 0.505 73 G N -0.209 108.738 108.800 0.245 0.000 2.410 73 G HA2 0.548 4.508 3.960 0.001 0.000 0.330 73 G HA3 0.548 4.508 3.960 0.001 0.000 0.330 73 G C -0.289 174.885 174.900 0.458 0.000 1.142 73 G CA -0.538 44.766 45.100 0.340 0.000 0.902 73 G HN 0.197 nan 8.290 nan 0.000 0.491 74 T N -1.339 113.488 114.554 0.454 0.000 2.908 74 T HA 0.781 5.131 4.350 0.001 0.000 0.290 74 T C -0.314 174.542 174.700 0.261 0.000 1.034 74 T CA -0.643 61.641 62.100 0.305 0.000 1.010 74 T CB 1.636 70.602 68.868 0.163 0.000 1.068 74 T HN 1.335 nan 8.240 nan 0.000 0.481 75 L N -0.743 120.503 121.223 0.038 0.000 2.999 75 L HA 0.799 5.139 4.340 0.001 0.000 0.274 75 L C -1.949 174.847 176.870 -0.123 0.000 1.044 75 L CA -1.251 53.493 54.840 -0.160 0.000 0.943 75 L CB 1.985 43.681 42.059 -0.605 0.000 1.522 75 L HN 0.810 nan 8.230 nan 0.000 0.400 76 N N -0.178 118.434 118.700 -0.146 0.000 2.371 76 N HA 0.420 5.161 4.740 0.001 0.000 0.291 76 N C 0.142 175.583 175.510 -0.114 0.000 1.053 76 N CA -0.753 52.243 53.050 -0.089 0.000 0.870 76 N CB 2.330 40.802 38.487 -0.026 0.000 1.503 76 N HN 0.872 nan 8.380 nan 0.000 0.485 77 L N 3.917 125.077 121.223 -0.105 0.000 2.046 77 L HA 0.060 4.400 4.340 0.001 0.000 0.208 77 L C 1.941 178.790 176.870 -0.034 0.000 1.077 77 L CA 1.967 56.739 54.840 -0.112 0.000 0.747 77 L CB -0.205 41.758 42.059 -0.161 0.000 0.896 77 L HN 0.747 nan 8.230 nan 0.000 0.432 78 A N -0.076 122.753 122.820 0.016 0.000 1.898 78 A HA -0.120 4.200 4.320 0.001 0.000 0.216 78 A C 2.467 180.102 177.584 0.085 0.000 1.181 78 A CA 1.523 53.609 52.037 0.082 0.000 0.620 78 A CB -1.027 18.029 19.000 0.093 0.000 0.819 78 A HN 0.589 nan 8.150 nan 0.000 0.442 79 A N 0.163 123.008 122.820 0.040 0.000 1.940 79 A HA -0.215 4.105 4.320 0.001 0.000 0.219 79 A C 1.960 179.505 177.584 -0.065 0.000 1.176 79 A CA 1.733 53.776 52.037 0.009 0.000 0.631 79 A CB -0.610 18.380 19.000 -0.017 0.000 0.814 79 A HN 0.598 nan 8.150 nan 0.000 0.446 80 N N -0.843 117.808 118.700 -0.083 0.000 2.354 80 N HA -0.078 4.663 4.740 0.001 0.000 0.179 80 N C 1.309 176.801 175.510 -0.030 0.000 1.021 80 N CA 1.337 54.311 53.050 -0.127 0.000 0.887 80 N CB -0.177 38.221 38.487 -0.148 0.000 0.974 80 N HN 0.504 nan 8.380 nan 0.000 0.437 81 C N -0.209 119.149 119.300 0.098 0.000 2.673 81 C HA 0.334 4.794 4.460 0.001 0.000 0.264 81 C C 2.149 177.414 174.990 0.458 0.000 1.304 81 C CA -0.130 59.051 59.018 0.273 0.000 1.727 81 C CB -0.616 27.262 27.740 0.230 0.000 1.932 81 C HN 0.311 nan 8.230 nan 0.000 0.563 82 L N -0.941 120.475 121.223 0.321 0.000 3.099 82 L HA 0.232 4.573 4.340 0.001 0.000 0.165 82 L C 1.627 178.600 176.870 0.171 0.000 1.151 82 L CA 0.219 55.294 54.840 0.391 0.000 0.878 82 L CB -0.769 41.510 42.059 0.366 0.000 1.615 82 L HN -0.122 nan 8.230 nan 0.000 0.545 83 D N 1.316 121.764 120.400 0.080 0.000 2.116 83 D HA -0.210 4.430 4.640 0.001 0.000 0.193 83 D C 1.949 178.150 176.300 -0.164 0.000 0.998 83 D CA 1.728 55.677 54.000 -0.084 0.000 0.836 83 D CB -0.230 40.574 40.800 0.006 0.000 0.951 83 D HN 0.316 nan 8.370 nan 0.000 0.449 84 R N -0.058 120.295 120.500 -0.245 0.000 2.285 84 R HA -0.042 4.298 4.340 0.001 0.000 0.213 84 R C 1.106 177.192 176.300 -0.357 0.000 1.068 84 R CA 1.059 56.971 56.100 -0.314 0.000 1.004 84 R CB -0.419 29.666 30.300 -0.358 0.000 0.873 84 R HN 0.345 nan 8.270 nan 0.000 0.467 85 H N 0.438 119.414 119.070 -0.157 0.000 2.553 85 H HA 0.162 4.719 4.556 0.001 0.000 0.265 85 H C 1.881 177.093 175.328 -0.193 0.000 0.964 85 H CA 0.336 56.228 56.048 -0.260 0.000 1.156 85 H CB 0.336 29.745 29.762 -0.589 0.000 1.411 85 H HN 0.204 nan 8.280 nan 0.000 0.558 86 L N 0.390 121.581 121.223 -0.054 0.000 2.093 86 L HA -0.170 4.171 4.340 0.001 0.000 0.208 86 L C 2.713 179.563 176.870 -0.033 0.000 1.085 86 L CA 1.121 55.933 54.840 -0.047 0.000 0.755 86 L CB -0.375 41.604 42.059 -0.134 0.000 0.904 86 L HN 0.238 nan 8.230 nan 0.000 0.435 87 Q N 0.559 120.331 119.800 -0.045 0.000 2.061 87 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 87 Q C 1.619 177.613 176.000 -0.011 0.000 0.984 87 Q CA 1.976 57.762 55.803 -0.028 0.000 0.846 87 Q CB 0.181 28.900 28.738 -0.033 0.000 0.902 87 Q HN 0.557 nan 8.270 nan 0.000 0.421 88 E N -1.347 118.848 120.200 -0.009 0.000 2.465 88 E HA 0.084 4.434 4.350 0.001 0.000 0.209 88 E C 0.012 176.617 176.600 0.008 0.000 0.951 88 E CA 0.126 56.527 56.400 0.003 0.000 0.997 88 E CB 0.630 30.333 29.700 0.005 0.000 1.025 88 E HN 0.315 nan 8.360 nan 0.000 0.500 89 N N -0.337 118.361 118.700 -0.003 0.000 2.387 89 N HA 0.084 4.824 4.740 0.001 0.000 0.259 89 N C 0.939 176.473 175.510 0.041 0.000 1.369 89 N CA -0.046 53.003 53.050 -0.003 0.000 0.867 89 N CB 1.339 39.778 38.487 -0.080 0.000 1.341 89 N HN 0.078 nan 8.380 nan 0.000 0.495 90 G N 0.502 109.338 108.800 0.061 0.000 2.442 90 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 90 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 90 G C 1.055 176.046 174.900 0.152 0.000 1.141 90 G CA 0.969 46.136 45.100 0.112 0.000 0.763 90 G HN 0.261 nan 8.290 nan 0.000 0.554 91 D N -0.515 119.956 120.400 0.118 0.000 2.350 91 D HA 0.048 4.688 4.640 0.001 0.000 0.213 91 D C 1.318 177.702 176.300 0.140 0.000 1.031 91 D CA -0.191 53.878 54.000 0.114 0.000 0.861 91 D CB 0.228 41.075 40.800 0.079 0.000 0.926 91 D HN 0.271 nan 8.370 nan 0.000 0.520 92 R N 1.382 121.988 120.500 0.176 0.000 2.570 92 R HA 0.045 4.385 4.340 0.001 0.000 0.277 92 R C -0.350 176.108 176.300 0.264 0.000 1.039 92 R CA 0.182 56.412 56.100 0.216 0.000 1.065 92 R CB 0.339 30.767 30.300 0.213 0.000 0.964 92 R HN -0.230 nan 8.270 nan 0.000 0.428 93 T N 4.404 119.071 114.554 0.188 0.000 2.817 93 T HA 0.106 4.456 4.350 0.001 0.000 0.295 93 T C 1.027 175.731 174.700 0.006 0.000 0.958 93 T CA 0.209 62.373 62.100 0.106 0.000 1.157 93 T CB 1.361 70.315 68.868 0.144 0.000 0.898 93 T HN 0.766 nan 8.240 nan 0.000 0.536 94 A N 4.423 127.076 122.820 -0.278 0.000 1.887 94 A HA 0.358 4.679 4.320 0.001 0.000 0.212 94 A C 0.791 178.190 177.584 -0.307 0.000 1.198 94 A CA 0.492 52.125 52.037 -0.672 0.000 0.628 94 A CB 0.140 18.369 19.000 -1.284 0.000 0.847 94 A HN 0.773 nan 8.150 nan 0.000 0.449 95 I N 0.767 121.202 120.570 -0.224 0.000 2.447 95 I HA 0.340 4.510 4.170 0.001 0.000 0.287 95 I C -1.265 174.751 176.117 -0.167 0.000 1.023 95 I CA -0.395 60.815 61.300 -0.150 0.000 1.083 95 I CB 1.950 39.875 38.000 -0.126 0.000 1.245 95 I HN 0.104 nan 8.210 nan 0.000 0.434 96 I N 5.157 125.582 120.570 -0.240 0.000 2.325 96 I HA 0.141 4.312 4.170 0.001 0.000 0.291 96 I C -0.806 175.148 176.117 -0.272 0.000 1.019 96 I CA -0.197 60.834 61.300 -0.449 0.000 1.302 96 I CB 0.768 38.337 38.000 -0.718 0.000 1.401 96 I HN 0.575 nan 8.210 nan 0.000 0.485 97 W N 7.809 128.897 121.300 -0.354 0.000 2.429 97 W HA 0.437 5.097 4.660 0.001 0.000 0.314 97 W C -0.345 176.061 176.519 -0.188 0.000 1.062 97 W CA -0.666 56.542 57.345 -0.228 0.000 1.211 97 W CB 1.162 30.529 29.460 -0.155 0.000 1.305 97 W HN 0.383 nan 8.180 nan 0.000 0.476 98 E N 4.417 124.129 120.200 -0.813 0.000 2.165 98 E HA 0.558 4.908 4.350 0.001 0.000 0.266 98 E C 0.232 176.221 176.600 -1.018 0.000 0.889 98 E CA -0.641 55.353 56.400 -0.676 0.000 0.756 98 E CB 1.146 30.674 29.700 -0.287 0.000 1.131 98 E HN 0.553 nan 8.360 nan 0.000 0.411 99 G N 3.009 111.141 108.800 -1.114 0.000 2.606 99 G HA2 -0.002 3.958 3.960 0.001 0.000 0.252 99 G HA3 -0.002 3.958 3.960 0.001 0.000 0.252 99 G C 0.488 175.228 174.900 -0.267 0.000 1.206 99 G CA -0.089 44.471 45.100 -0.902 0.000 0.861 99 G HN 0.770 nan 8.290 nan 0.000 0.561 100 D N -0.832 119.464 120.400 -0.173 0.000 2.104 100 D HA -0.153 4.488 4.640 0.001 0.000 0.194 100 D C 0.731 177.138 176.300 0.179 0.000 0.994 100 D CA 1.041 55.035 54.000 -0.011 0.000 0.830 100 D CB 0.134 40.895 40.800 -0.066 0.000 0.959 100 D HN 0.302 nan 8.370 nan 0.000 0.452 101 D N -0.664 119.800 120.400 0.107 0.000 2.336 101 D HA 0.004 4.644 4.640 0.001 0.000 0.249 101 D C 0.768 177.088 176.300 0.033 0.000 1.213 101 D CA 0.191 54.262 54.000 0.117 0.000 0.870 101 D CB 1.202 42.061 40.800 0.098 0.000 1.076 101 D HN -0.061 nan 8.370 nan 0.000 0.483 102 T N 1.861 116.436 114.554 0.035 0.000 2.897 102 T HA -0.186 4.165 4.350 0.001 0.000 0.271 102 T C 1.801 176.486 174.700 -0.024 0.000 1.084 102 T CA 2.006 64.097 62.100 -0.015 0.000 1.123 102 T CB -0.059 68.789 68.868 -0.034 0.000 0.865 102 T HN 0.498 nan 8.240 nan 0.000 0.496 103 S N -0.101 115.598 115.700 -0.002 0.000 2.507 103 S HA 0.046 4.516 4.470 0.001 0.000 0.235 103 S C 0.794 175.410 174.600 0.027 0.000 0.988 103 S CA 0.181 58.387 58.200 0.009 0.000 0.944 103 S CB -0.237 62.973 63.200 0.017 0.000 0.762 103 S HN 0.642 nan 8.310 nan 0.000 0.526 104 Q N 1.697 121.505 119.800 0.014 0.000 2.325 104 Q HA 0.611 4.951 4.340 0.001 0.000 0.262 104 Q C -0.757 175.218 176.000 -0.041 0.000 0.968 104 Q CA -0.411 55.426 55.803 0.058 0.000 0.877 104 Q CB 1.714 30.521 28.738 0.115 0.000 1.253 104 Q HN 0.545 nan 8.270 nan 0.000 0.448 105 S N 2.277 118.051 115.700 0.125 0.000 2.565 105 S HA 0.580 5.051 4.470 0.001 0.000 0.274 105 S C -1.540 173.237 174.600 0.295 0.000 1.144 105 S CA -1.052 57.228 58.200 0.134 0.000 0.849 105 S CB 1.693 64.932 63.200 0.065 0.000 1.103 105 S HN 0.469 nan 8.310 nan 0.000 0.455 106 K N 0.664 121.259 120.400 0.325 0.000 2.426 106 K HA 0.522 4.842 4.320 0.001 0.000 0.251 106 K C -1.862 174.822 176.600 0.140 0.000 0.941 106 K CA -0.777 55.660 56.287 0.249 0.000 0.808 106 K CB 1.602 34.224 32.500 0.204 0.000 1.265 106 K HN 0.724 nan 8.250 nan 0.000 0.432 107 H N 1.385 120.482 119.070 0.046 0.000 2.595 107 H HA 0.363 4.920 4.556 0.001 0.000 0.313 107 H C -0.840 174.491 175.328 0.005 0.000 1.023 107 H CA -0.389 55.667 56.048 0.013 0.000 1.218 107 H CB 0.338 30.113 29.762 0.021 0.000 1.403 107 H HN 0.277 nan 8.280 nan 0.000 0.477 108 I N 2.832 123.421 120.570 0.031 0.000 2.312 108 I HA 0.162 4.333 4.170 0.001 0.000 0.290 108 I C 0.490 176.588 176.117 -0.031 0.000 1.008 108 I CA -0.496 60.801 61.300 -0.005 0.000 1.226 108 I CB 0.959 38.925 38.000 -0.057 0.000 1.371 108 I HN 0.562 nan 8.210 nan 0.000 0.468 109 S N 4.749 120.461 115.700 0.020 0.000 2.608 109 S HA 0.177 4.647 4.470 0.001 0.000 0.261 109 S C 1.089 175.691 174.600 0.004 0.000 1.314 109 S CA -0.115 58.112 58.200 0.046 0.000 0.992 109 S CB 0.513 63.772 63.200 0.099 0.000 0.935 109 S HN 0.532 nan 8.310 nan 0.000 0.564 110 Y N 0.657 120.993 120.300 0.060 0.000 2.165 110 Y HA -0.099 4.452 4.550 0.001 0.000 0.286 110 Y C 2.957 178.919 175.900 0.103 0.000 1.155 110 Y CA 2.085 60.230 58.100 0.075 0.000 1.164 110 Y CB -0.276 38.225 38.460 0.069 0.000 0.978 110 Y HN 0.686 nan 8.280 nan 0.000 0.513 111 R N 0.568 121.205 120.500 0.228 0.000 2.073 111 R HA -0.192 4.148 4.340 0.001 0.000 0.234 111 R C 1.996 178.400 176.300 0.174 0.000 1.134 111 R CA 2.032 58.239 56.100 0.180 0.000 0.952 111 R CB -0.163 30.213 30.300 0.127 0.000 0.850 111 R HN 0.418 nan 8.270 nan 0.000 0.433 112 E N 0.238 120.508 120.200 0.117 0.000 2.077 112 E HA -0.233 4.118 4.350 0.001 0.000 0.193 112 E C 1.975 178.618 176.600 0.072 0.000 0.989 112 E CA 1.223 57.673 56.400 0.082 0.000 0.800 112 E CB -0.172 29.558 29.700 0.051 0.000 0.746 112 E HN 0.191 nan 8.360 nan 0.000 0.452 113 L N 1.159 122.414 121.223 0.054 0.000 2.017 113 L HA -0.199 4.141 4.340 0.001 0.000 0.208 113 L C 2.427 179.354 176.870 0.095 0.000 1.073 113 L CA 1.891 56.750 54.840 0.031 0.000 0.745 113 L CB -0.675 41.352 42.059 -0.052 0.000 0.894 113 L HN 0.264 nan 8.230 nan 0.000 0.432 114 H N -0.036 119.078 119.070 0.073 0.000 2.319 114 H HA -0.246 4.310 4.556 0.001 0.000 0.297 114 H C 2.413 177.787 175.328 0.076 0.000 1.097 114 H CA 2.193 58.297 56.048 0.094 0.000 1.285 114 H CB 0.082 29.916 29.762 0.121 0.000 1.368 114 H HN 0.350 nan 8.280 nan 0.000 0.495 115 R N 0.245 120.783 120.500 0.062 0.000 2.080 115 R HA -0.133 4.208 4.340 0.001 0.000 0.236 115 R C 1.923 178.206 176.300 -0.028 0.000 1.137 115 R CA 2.017 58.118 56.100 0.002 0.000 0.943 115 R CB -0.124 30.223 30.300 0.077 0.000 0.846 115 R HN 0.339 nan 8.270 nan 0.000 0.431 116 D N -0.134 120.275 120.400 0.014 0.000 2.144 116 D HA -0.119 4.522 4.640 0.001 0.000 0.199 116 D C 1.952 178.271 176.300 0.032 0.000 0.984 116 D CA 1.091 55.114 54.000 0.038 0.000 0.834 116 D CB -0.058 40.783 40.800 0.068 0.000 0.955 116 D HN 0.116 nan 8.370 nan 0.000 0.465 117 V N 0.612 120.525 119.914 -0.000 0.000 2.343 117 V HA -0.261 3.859 4.120 0.001 0.000 0.247 117 V C 2.707 178.759 176.094 -0.070 0.000 1.051 117 V CA 1.215 63.516 62.300 0.001 0.000 1.036 117 V CB -0.446 31.378 31.823 0.003 0.000 0.654 117 V HN 0.289 nan 8.190 nan 0.000 0.451 118 C N -0.267 118.936 119.300 -0.161 0.000 2.413 118 C HA -0.160 4.300 4.460 0.001 0.000 0.276 118 C C 2.892 177.819 174.990 -0.106 0.000 1.236 118 C CA 0.979 59.900 59.018 -0.161 0.000 1.735 118 C CB -1.202 26.425 27.740 -0.188 0.000 2.031 118 C HN 0.496 nan 8.230 nan 0.000 0.474 119 R N -0.618 119.843 120.500 -0.064 0.000 2.081 119 R HA -0.134 4.206 4.340 0.001 0.000 0.235 119 R C 2.070 178.317 176.300 -0.088 0.000 1.131 119 R CA 1.573 57.640 56.100 -0.055 0.000 0.960 119 R CB -0.585 29.700 30.300 -0.025 0.000 0.856 119 R HN 0.549 nan 8.270 nan 0.000 0.436 120 F N 1.111 120.924 119.950 -0.227 0.000 2.367 120 F HA 0.019 4.546 4.527 0.001 0.000 0.298 120 F C 2.237 177.885 175.800 -0.253 0.000 1.094 120 F CA 0.764 58.583 58.000 -0.301 0.000 1.409 120 F CB -0.121 38.676 39.000 -0.339 0.000 1.064 120 F HN -0.038 nan 8.300 nan 0.000 0.528 121 A N 0.180 122.869 122.820 -0.218 0.000 1.933 121 A HA -0.190 4.130 4.320 0.001 0.000 0.218 121 A C 2.119 179.489 177.584 -0.357 0.000 1.175 121 A CA 1.817 53.633 52.037 -0.368 0.000 0.628 121 A CB -0.768 17.857 19.000 -0.625 0.000 0.814 121 A HN 0.408 nan 8.150 nan 0.000 0.444 122 N N -0.231 118.313 118.700 -0.261 0.000 2.188 122 N HA -0.099 4.641 4.740 0.001 0.000 0.184 122 N C 1.752 177.128 175.510 -0.223 0.000 1.018 122 N CA 1.819 54.780 53.050 -0.148 0.000 0.858 122 N CB -0.703 37.746 38.487 -0.065 0.000 0.989 122 N HN 0.489 nan 8.380 nan 0.000 0.426 123 T N 2.345 116.692 114.554 -0.345 0.000 2.635 123 T HA -0.082 4.268 4.350 0.001 0.000 0.267 123 T C 2.163 176.581 174.700 -0.471 0.000 1.040 123 T CA 0.861 62.693 62.100 -0.447 0.000 1.156 123 T CB -0.384 68.075 68.868 -0.680 0.000 0.863 123 T HN 0.154 nan 8.240 nan 0.000 0.430 124 L N 0.250 121.123 121.223 -0.584 0.000 2.012 124 L HA -0.110 4.231 4.340 0.001 0.000 0.210 124 L C 2.548 179.283 176.870 -0.225 0.000 1.073 124 L CA 1.290 55.886 54.840 -0.408 0.000 0.748 124 L CB -0.663 41.179 42.059 -0.362 0.000 0.891 124 L HN 0.254 nan 8.230 nan 0.000 0.431 125 L N -0.626 120.488 121.223 -0.182 0.000 2.093 125 L HA -0.206 4.134 4.340 0.001 0.000 0.208 125 L C 2.151 178.966 176.870 -0.091 0.000 1.085 125 L CA 0.966 55.748 54.840 -0.096 0.000 0.755 125 L CB -0.589 41.445 42.059 -0.042 0.000 0.904 125 L HN 0.245 nan 8.230 nan 0.000 0.435 126 D N -0.153 120.174 120.400 -0.121 0.000 2.218 126 D HA -0.130 4.511 4.640 0.001 0.000 0.204 126 D C 1.935 178.167 176.300 -0.112 0.000 0.976 126 D CA 0.931 54.867 54.000 -0.107 0.000 0.853 126 D CB 0.026 40.753 40.800 -0.122 0.000 0.939 126 D HN 0.123 nan 8.370 nan 0.000 0.481 127 L N -0.534 120.603 121.223 -0.144 0.000 2.599 127 L HA 0.208 4.548 4.340 0.001 0.000 0.230 127 L C 1.661 178.504 176.870 -0.045 0.000 1.141 127 L CA 0.733 55.497 54.840 -0.126 0.000 0.877 127 L CB -0.684 41.269 42.059 -0.177 0.000 1.009 127 L HN 0.202 nan 8.230 nan 0.000 0.447 128 G N -0.760 108.011 108.800 -0.048 0.000 2.141 128 G HA2 -0.221 3.739 3.960 0.001 0.000 0.242 128 G HA3 -0.221 3.739 3.960 0.001 0.000 0.242 128 G C 0.437 175.326 174.900 -0.018 0.000 0.982 128 G CA -0.100 44.987 45.100 -0.021 0.000 0.662 128 G HN 0.138 nan 8.290 nan 0.000 0.527 129 I N 1.261 121.809 120.570 -0.035 0.000 2.588 129 I HA 0.370 4.541 4.170 0.001 0.000 0.283 129 I C 0.860 176.966 176.117 -0.019 0.000 1.119 129 I CA 0.271 61.555 61.300 -0.026 0.000 1.419 129 I CB 0.724 38.696 38.000 -0.046 0.000 1.394 129 I HN 0.541 nan 8.210 nan 0.000 0.562 130 K N 4.807 125.206 120.400 -0.003 0.000 2.466 130 K HA 0.466 4.786 4.320 0.001 0.000 0.260 130 K C -0.563 176.045 176.600 0.013 0.000 1.011 130 K CA -1.154 55.136 56.287 0.005 0.000 0.871 130 K CB 1.810 34.314 32.500 0.006 0.000 1.404 130 K HN 0.318 nan 8.250 nan 0.000 0.450 131 K N 0.011 120.421 120.400 0.017 0.000 2.530 131 K HA -0.022 4.298 4.320 0.001 0.000 0.280 131 K C 0.633 177.245 176.600 0.020 0.000 1.004 131 K CA 2.003 58.302 56.287 0.019 0.000 1.071 131 K CB -0.341 32.171 32.500 0.019 0.000 0.876 131 K HN 0.883 nan 8.250 nan 0.000 0.487 132 G N 3.277 112.090 108.800 0.022 0.000 2.279 132 G HA2 -0.218 3.742 3.960 0.001 0.000 0.223 132 G HA3 -0.218 3.742 3.960 0.001 0.000 0.223 132 G C -0.381 174.543 174.900 0.040 0.000 1.015 132 G CA 0.079 45.198 45.100 0.032 0.000 0.621 132 G HN 0.714 nan 8.290 nan 0.000 0.506 133 D N 0.920 121.339 120.400 0.031 0.000 2.443 133 D HA 0.419 5.060 4.640 0.001 0.000 0.239 133 D C 0.649 176.963 176.300 0.024 0.000 1.136 133 D CA 0.136 54.154 54.000 0.031 0.000 0.879 133 D CB 1.634 42.447 40.800 0.023 0.000 1.195 133 D HN 0.237 nan 8.370 nan 0.000 0.443 134 V N 2.831 122.753 119.914 0.013 0.000 2.432 134 V HA 0.203 4.323 4.120 0.001 0.000 0.275 134 V C 0.293 176.402 176.094 0.025 0.000 1.043 134 V CA -0.576 61.717 62.300 -0.011 0.000 0.925 134 V CB 1.560 33.330 31.823 -0.089 0.000 0.985 134 V HN 0.215 nan 8.190 nan 0.000 0.466 135 V N 4.650 124.603 119.914 0.064 0.000 2.384 135 V HA 0.642 4.762 4.120 0.001 0.000 0.287 135 V C 0.476 176.637 176.094 0.111 0.000 1.020 135 V CA -0.687 61.666 62.300 0.089 0.000 0.850 135 V CB 1.624 33.520 31.823 0.121 0.000 0.987 135 V HN 0.960 nan 8.190 nan 0.000 0.436 136 A N 6.784 129.652 122.820 0.080 0.000 2.362 136 A HA 0.754 5.074 4.320 0.001 0.000 0.276 136 A C -0.349 177.297 177.584 0.104 0.000 1.153 136 A CA -0.175 51.910 52.037 0.080 0.000 0.813 136 A CB -0.011 19.003 19.000 0.022 0.000 1.081 136 A HN 0.790 nan 8.150 nan 0.000 0.507 137 I N 2.685 123.324 120.570 0.115 0.000 2.382 137 I HA 0.212 4.382 4.170 0.001 0.000 0.286 137 I C -1.177 175.021 176.117 0.136 0.000 1.002 137 I CA -0.288 61.069 61.300 0.096 0.000 1.135 137 I CB 1.380 39.392 38.000 0.021 0.000 1.288 137 I HN 0.721 nan 8.210 nan 0.000 0.448 138 Y N 8.364 128.641 120.300 -0.038 0.000 2.787 138 Y HA 0.556 5.106 4.550 0.001 0.000 0.352 138 Y C -1.009 174.832 175.900 -0.099 0.000 1.027 138 Y CA -0.844 57.216 58.100 -0.065 0.000 1.219 138 Y CB 0.542 38.970 38.460 -0.054 0.000 1.110 138 Y HN 0.409 nan 8.280 nan 0.000 0.614 139 M N 5.801 125.256 119.600 -0.241 0.000 2.572 139 M HA 0.502 4.983 4.480 0.001 0.000 0.299 139 M C -2.607 173.504 176.300 -0.314 0.000 1.205 139 M CA -1.852 53.285 55.300 -0.271 0.000 0.876 139 M CB 2.282 34.757 32.600 -0.209 0.000 1.728 139 M HN 0.309 nan 8.290 nan 0.000 0.458 140 P HA 0.369 nan 4.420 nan 0.000 0.297 140 P C -0.549 176.649 177.300 -0.171 0.000 1.307 140 P CA -0.521 62.432 63.100 -0.244 0.000 0.773 140 P CB 0.674 32.243 31.700 -0.218 0.000 1.265 141 M N 0.949 120.493 119.600 -0.094 0.000 3.436 141 M HA 0.153 4.634 4.480 0.001 0.000 0.240 141 M C -0.136 176.225 176.300 0.103 0.000 1.469 141 M CA -0.104 55.194 55.300 -0.003 0.000 1.622 141 M CB -1.392 31.229 32.600 0.034 0.000 1.098 141 M HN 0.120 nan 8.290 nan 0.000 0.568 142 V N 0.481 120.328 119.914 -0.111 0.000 2.914 142 V HA 0.574 4.695 4.120 0.001 0.000 0.314 142 V C -2.361 173.460 176.094 -0.455 0.000 1.084 142 V CA -1.788 60.277 62.300 -0.393 0.000 0.963 142 V CB 1.684 33.196 31.823 -0.518 0.000 1.025 142 V HN 0.215 nan 8.190 nan 0.000 0.432 143 P HA -0.062 nan 4.420 nan 0.000 0.219 143 P C 1.158 178.228 177.300 -0.385 0.000 1.146 143 P CA 1.271 64.128 63.100 -0.406 0.000 0.808 143 P CB 0.255 31.707 31.700 -0.413 0.000 0.779 144 E N -0.245 119.631 120.200 -0.540 0.000 2.204 144 E HA -0.132 4.219 4.350 0.001 0.000 0.195 144 E C 2.099 178.391 176.600 -0.514 0.000 0.990 144 E CA 1.318 57.309 56.400 -0.682 0.000 0.821 144 E CB -0.961 27.943 29.700 -1.327 0.000 0.750 144 E HN 0.192 nan 8.360 nan 0.000 0.477 145 A N 0.996 123.571 122.820 -0.410 0.000 1.902 145 A HA -0.090 4.231 4.320 0.001 0.000 0.217 145 A C 2.366 179.798 177.584 -0.253 0.000 1.181 145 A CA 1.711 53.573 52.037 -0.293 0.000 0.623 145 A CB -0.775 18.070 19.000 -0.259 0.000 0.818 145 A HN 0.306 nan 8.150 nan 0.000 0.443 146 A N -0.507 122.169 122.820 -0.241 0.000 1.902 146 A HA 0.011 4.331 4.320 0.001 0.000 0.217 146 A C 2.225 179.726 177.584 -0.138 0.000 1.181 146 A CA 1.751 53.663 52.037 -0.210 0.000 0.623 146 A CB -0.942 17.949 19.000 -0.182 0.000 0.818 146 A HN 0.384 nan 8.150 nan 0.000 0.443 147 V N -0.021 119.821 119.914 -0.119 0.000 2.287 147 V HA -0.283 3.837 4.120 0.001 0.000 0.248 147 V C 3.073 179.151 176.094 -0.027 0.000 1.053 147 V CA 2.055 64.331 62.300 -0.039 0.000 1.027 147 V CB -1.358 30.482 31.823 0.027 0.000 0.646 147 V HN 0.621 nan 8.190 nan 0.000 0.447 148 A N -0.582 122.187 122.820 -0.085 0.000 1.883 148 A HA -0.270 4.050 4.320 0.001 0.000 0.217 148 A C 2.250 179.879 177.584 0.075 0.000 1.186 148 A CA 2.439 54.469 52.037 -0.012 0.000 0.624 148 A CB -0.516 18.491 19.000 0.010 0.000 0.822 148 A HN 0.507 nan 8.150 nan 0.000 0.444 149 M N -0.797 118.758 119.600 -0.075 0.000 2.067 149 M HA -0.123 4.358 4.480 0.001 0.000 0.260 149 M C 2.162 178.547 176.300 0.143 0.000 1.069 149 M CA 1.544 56.763 55.300 -0.135 0.000 1.117 149 M CB -0.519 31.818 32.600 -0.439 0.000 1.334 149 M HN 0.367 nan 8.290 nan 0.000 0.407 150 L N -0.379 120.917 121.223 0.122 0.000 2.083 150 L HA -0.159 4.182 4.340 0.001 0.000 0.209 150 L C 2.795 179.753 176.870 0.146 0.000 1.083 150 L CA 1.118 56.068 54.840 0.184 0.000 0.752 150 L CB -0.825 41.315 42.059 0.134 0.000 0.899 150 L HN 0.309 nan 8.230 nan 0.000 0.433 151 A N -0.990 121.915 122.820 0.142 0.000 1.930 151 A HA -0.205 4.115 4.320 0.001 0.000 0.217 151 A C 2.417 180.056 177.584 0.092 0.000 1.175 151 A CA 1.647 53.754 52.037 0.115 0.000 0.627 151 A CB -1.112 18.052 19.000 0.273 0.000 0.815 151 A HN 0.517 nan 8.150 nan 0.000 0.443 152 C N -0.971 118.429 119.300 0.167 0.000 2.413 152 C HA -0.013 4.447 4.460 0.001 0.000 0.276 152 C C 3.330 178.396 174.990 0.128 0.000 1.236 152 C CA 0.975 60.087 59.018 0.157 0.000 1.735 152 C CB -1.339 26.554 27.740 0.256 0.000 2.031 152 C HN 0.705 nan 8.230 nan 0.000 0.474 153 A N 0.046 122.967 122.820 0.169 0.000 1.933 153 A HA -0.213 4.107 4.320 0.001 0.000 0.218 153 A C 2.254 179.870 177.584 0.053 0.000 1.175 153 A CA 1.720 53.815 52.037 0.098 0.000 0.628 153 A CB -0.660 18.399 19.000 0.099 0.000 0.814 153 A HN 0.658 nan 8.150 nan 0.000 0.444 154 R N 0.116 120.650 120.500 0.057 0.000 2.091 154 R HA -0.138 4.203 4.340 0.001 0.000 0.238 154 R C 1.817 178.154 176.300 0.062 0.000 1.136 154 R CA 1.969 58.096 56.100 0.045 0.000 0.959 154 R CB -0.404 29.893 30.300 -0.005 0.000 0.856 154 R HN 0.748 nan 8.270 nan 0.000 0.437 155 I N -3.757 116.831 120.570 0.030 0.000 3.883 155 I HA 0.367 4.537 4.170 0.001 0.000 0.326 155 I C 0.792 176.933 176.117 0.041 0.000 1.283 155 I CA 0.538 61.868 61.300 0.051 0.000 1.161 155 I CB 0.677 38.682 38.000 0.009 0.000 1.012 155 I HN 0.249 nan 8.210 nan 0.000 0.421 156 G N 1.711 110.532 108.800 0.034 0.000 2.153 156 G HA2 -0.249 3.711 3.960 0.001 0.000 0.252 156 G HA3 -0.249 3.711 3.960 0.001 0.000 0.252 156 G C 0.416 175.328 174.900 0.020 0.000 0.994 156 G CA 0.110 45.223 45.100 0.021 0.000 0.698 156 G HN 0.947 nan 8.290 nan 0.000 0.521 157 A N -0.742 122.096 122.820 0.030 0.000 2.386 157 A HA 0.664 4.984 4.320 0.001 0.000 0.248 157 A C 0.539 178.144 177.584 0.035 0.000 1.082 157 A CA 0.332 52.390 52.037 0.035 0.000 0.789 157 A CB 1.010 20.037 19.000 0.046 0.000 1.025 157 A HN 1.167 nan 8.150 nan 0.000 0.490 158 V N 3.905 123.831 119.914 0.020 0.000 2.333 158 V HA 0.270 4.390 4.120 0.001 0.000 0.274 158 V C 0.020 176.135 176.094 0.035 0.000 1.028 158 V CA -0.527 61.761 62.300 -0.021 0.000 0.851 158 V CB 0.246 32.039 31.823 -0.050 0.000 1.000 158 V HN 1.040 nan 8.190 nan 0.000 0.456 159 H N 2.037 121.186 119.070 0.131 0.000 2.629 159 H HA 0.614 5.170 4.556 0.001 0.000 0.357 159 H C 0.033 175.459 175.328 0.162 0.000 1.121 159 H CA -0.536 55.590 56.048 0.130 0.000 1.406 159 H CB 1.115 30.948 29.762 0.118 0.000 1.456 159 H HN 0.504 nan 8.280 nan 0.000 0.579 160 S N 3.201 119.090 115.700 0.316 0.000 2.664 160 S HA 0.321 4.791 4.470 0.001 0.000 0.262 160 S C -1.098 173.666 174.600 0.274 0.000 1.229 160 S CA -0.860 57.518 58.200 0.297 0.000 1.151 160 S CB -0.329 62.995 63.200 0.206 0.000 1.054 160 S HN 0.564 nan 8.310 nan 0.000 0.483 161 V N 6.697 126.802 119.914 0.318 0.000 2.470 161 V HA 0.341 4.462 4.120 0.001 0.000 0.276 161 V C 0.162 176.377 176.094 0.201 0.000 1.040 161 V CA -0.093 62.326 62.300 0.199 0.000 1.008 161 V CB 0.591 32.504 31.823 0.150 0.000 0.990 161 V HN 0.760 nan 8.190 nan 0.000 0.477 162 I N 5.962 126.645 120.570 0.188 0.000 2.307 162 I HA 0.272 4.442 4.170 0.001 0.000 0.289 162 I C 0.086 176.376 176.117 0.287 0.000 1.021 162 I CA -0.558 60.894 61.300 0.254 0.000 1.224 162 I CB 0.878 38.994 38.000 0.193 0.000 1.376 162 I HN 0.523 nan 8.210 nan 0.000 0.470 163 F N 5.700 125.640 119.950 -0.015 0.000 2.579 163 F HA 0.004 4.531 4.527 0.001 0.000 0.397 163 F C 1.505 177.265 175.800 -0.066 0.000 1.027 163 F CA 0.038 57.831 58.000 -0.344 0.000 1.217 163 F CB 0.767 39.181 39.000 -0.978 0.000 0.986 163 F HN 0.605 nan 8.300 nan 0.000 0.551 164 G N 4.069 112.368 108.800 -0.835 0.000 2.559 164 G HA2 -0.086 3.874 3.960 0.001 0.000 0.216 164 G HA3 -0.086 3.874 3.960 0.001 0.000 0.216 164 G C 1.409 175.797 174.900 -0.854 0.000 1.126 164 G CA 0.444 45.002 45.100 -0.904 0.000 0.778 164 G HN 1.017 nan 8.290 nan 0.000 0.543 165 G N -0.362 107.559 108.800 -1.465 0.000 2.985 165 G HA2 0.280 4.240 3.960 0.001 0.000 0.209 165 G HA3 0.280 4.240 3.960 0.001 0.000 0.209 165 G C 0.164 174.909 174.900 -0.259 0.000 1.165 165 G CA -0.706 43.911 45.100 -0.806 0.000 0.776 165 G HN 0.315 nan 8.290 nan 0.000 0.541 166 F N 1.988 121.942 119.950 0.008 0.000 2.429 166 F HA 0.318 4.846 4.527 0.001 0.000 0.348 166 F C 1.432 177.271 175.800 0.065 0.000 1.109 166 F CA -0.706 57.362 58.000 0.113 0.000 1.232 166 F CB 1.222 40.301 39.000 0.131 0.000 1.157 166 F HN 0.046 nan 8.300 nan 0.000 0.564 167 S N 3.082 118.933 115.700 0.251 0.000 2.624 167 S HA 0.265 4.735 4.470 0.001 0.000 0.263 167 S C -1.943 172.649 174.600 -0.012 0.000 1.287 167 S CA -1.179 57.073 58.200 0.086 0.000 0.990 167 S CB 1.331 64.549 63.200 0.031 0.000 0.950 167 S HN 0.346 nan 8.310 nan 0.000 0.561 168 P HA -0.150 nan 4.420 nan 0.000 0.216 168 P C 1.441 178.652 177.300 -0.150 0.000 1.154 168 P CA 1.573 64.597 63.100 -0.126 0.000 0.865 168 P CB 0.002 31.644 31.700 -0.097 0.000 0.789 169 E N -0.096 120.025 120.200 -0.132 0.000 2.051 169 E HA -0.176 4.175 4.350 0.001 0.000 0.192 169 E C 1.961 178.463 176.600 -0.163 0.000 0.991 169 E CA 1.710 58.023 56.400 -0.144 0.000 0.799 169 E CB -1.122 28.485 29.700 -0.156 0.000 0.748 169 E HN 0.092 nan 8.360 nan 0.000 0.449 170 A N -0.017 122.709 122.820 -0.157 0.000 1.898 170 A HA -0.106 4.214 4.320 0.001 0.000 0.216 170 A C 2.510 179.888 177.584 -0.343 0.000 1.181 170 A CA 1.516 53.400 52.037 -0.255 0.000 0.620 170 A CB -0.784 18.073 19.000 -0.239 0.000 0.819 170 A HN 0.192 nan 8.150 nan 0.000 0.442 171 V N 0.105 119.837 119.914 -0.305 0.000 2.252 171 V HA -0.316 3.804 4.120 0.001 0.000 0.249 171 V C 3.082 178.988 176.094 -0.314 0.000 1.056 171 V CA 2.138 64.208 62.300 -0.383 0.000 1.022 171 V CB -1.409 30.083 31.823 -0.552 0.000 0.641 171 V HN 0.629 nan 8.190 nan 0.000 0.445 172 A N 0.551 123.220 122.820 -0.252 0.000 1.873 172 A HA -0.178 4.142 4.320 0.001 0.000 0.218 172 A C 2.459 179.923 177.584 -0.199 0.000 1.193 172 A CA 2.296 54.215 52.037 -0.198 0.000 0.629 172 A CB -1.453 17.454 19.000 -0.156 0.000 0.826 172 A HN 0.560 nan 8.150 nan 0.000 0.447 173 G N -0.887 107.783 108.800 -0.217 0.000 2.440 173 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 173 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 173 G C 1.781 176.494 174.900 -0.312 0.000 1.154 173 G CA 1.047 46.016 45.100 -0.219 0.000 0.767 173 G HN 0.585 nan 8.290 nan 0.000 0.552 174 R N -0.282 119.952 120.500 -0.443 0.000 2.075 174 R HA 0.124 4.464 4.340 0.001 0.000 0.232 174 R C 2.595 178.666 176.300 -0.382 0.000 1.126 174 R CA 0.925 56.624 56.100 -0.669 0.000 0.963 174 R CB -0.342 29.557 30.300 -0.669 0.000 0.858 174 R HN 0.370 nan 8.270 nan 0.000 0.435 175 I N 0.537 120.958 120.570 -0.249 0.000 2.226 175 I HA -0.295 3.876 4.170 0.001 0.000 0.245 175 I C 2.121 178.181 176.117 -0.094 0.000 1.100 175 I CA 1.395 62.608 61.300 -0.145 0.000 1.374 175 I CB -0.187 37.730 38.000 -0.138 0.000 1.057 175 I HN 0.133 nan 8.210 nan 0.000 0.413 176 I N 0.563 121.072 120.570 -0.103 0.000 2.179 176 I HA -0.328 3.843 4.170 0.001 0.000 0.242 176 I C 2.218 178.341 176.117 0.009 0.000 1.088 176 I CA 1.842 63.112 61.300 -0.048 0.000 1.357 176 I CB -0.417 37.549 38.000 -0.057 0.000 1.051 176 I HN 0.240 nan 8.210 nan 0.000 0.409 177 D N 0.407 120.808 120.400 0.002 0.000 2.117 177 D HA -0.187 4.453 4.640 0.001 0.000 0.197 177 D C 2.131 178.619 176.300 0.314 0.000 0.987 177 D CA 1.611 55.698 54.000 0.145 0.000 0.829 177 D CB 0.104 40.994 40.800 0.149 0.000 0.961 177 D HN 0.323 nan 8.370 nan 0.000 0.460 178 S N -1.498 114.319 115.700 0.195 0.000 2.548 178 S HA 0.095 4.565 4.470 0.001 0.000 0.215 178 S C 0.762 175.425 174.600 0.104 0.000 0.976 178 S CA 0.258 58.514 58.200 0.094 0.000 0.908 178 S CB 0.043 63.212 63.200 -0.053 0.000 0.781 178 S HN 0.088 nan 8.310 nan 0.000 0.519 179 S N 1.527 117.292 115.700 0.108 0.000 3.559 179 S HA -0.145 4.325 4.470 0.001 0.000 0.369 179 S C 0.167 174.785 174.600 0.029 0.000 0.987 179 S CA 0.549 58.790 58.200 0.068 0.000 1.187 179 S CB -2.268 60.995 63.200 0.105 0.000 0.914 179 S HN 0.718 nan 8.310 nan 0.000 0.480 180 S N 1.441 117.141 115.700 -0.000 0.000 2.546 180 S HA 0.081 4.552 4.470 0.001 0.000 0.290 180 S C 1.551 176.147 174.600 -0.006 0.000 1.290 180 S CA -0.567 57.630 58.200 -0.006 0.000 1.069 180 S CB 0.541 63.733 63.200 -0.014 0.000 0.846 180 S HN 0.404 nan 8.310 nan 0.000 0.495 181 R N 0.831 121.334 120.500 0.004 0.000 2.200 181 R HA 0.223 4.564 4.340 0.001 0.000 0.208 181 R C 0.054 176.354 176.300 -0.000 0.000 1.033 181 R CA 0.289 56.388 56.100 -0.001 0.000 1.000 181 R CB -0.656 29.650 30.300 0.009 0.000 0.906 181 R HN 0.501 nan 8.270 nan 0.000 0.462 182 L N -0.434 120.797 121.223 0.014 0.000 2.472 182 L HA 0.428 4.768 4.340 0.001 0.000 0.260 182 L C -1.385 175.506 176.870 0.035 0.000 0.963 182 L CA -0.902 53.958 54.840 0.033 0.000 0.829 182 L CB 2.572 44.661 42.059 0.050 0.000 1.348 182 L HN -0.288 nan 8.230 nan 0.000 0.408 183 V N 5.281 125.215 119.914 0.033 0.000 2.459 183 V HA 0.559 4.679 4.120 0.001 0.000 0.295 183 V C -0.177 175.972 176.094 0.091 0.000 1.029 183 V CA -0.401 61.925 62.300 0.043 0.000 0.874 183 V CB 1.681 33.503 31.823 -0.003 0.000 0.985 183 V HN 0.606 nan 8.190 nan 0.000 0.438 184 I N 3.801 124.449 120.570 0.130 0.000 2.389 184 I HA 0.639 4.810 4.170 0.001 0.000 0.288 184 I C 0.093 176.291 176.117 0.134 0.000 0.999 184 I CA 0.111 61.519 61.300 0.179 0.000 1.129 184 I CB 1.968 40.120 38.000 0.253 0.000 1.288 184 I HN 0.708 nan 8.210 nan 0.000 0.444 185 T N 3.918 118.541 114.554 0.115 0.000 2.681 185 T HA 0.850 5.201 4.350 0.001 0.000 0.296 185 T C -1.613 173.095 174.700 0.013 0.000 1.157 185 T CA -0.424 61.711 62.100 0.058 0.000 1.025 185 T CB 1.836 70.779 68.868 0.124 0.000 1.441 185 T HN 0.648 nan 8.240 nan 0.000 0.504 186 A N 0.545 123.343 122.820 -0.038 0.000 2.423 186 A HA 0.657 4.977 4.320 0.001 0.000 0.304 186 A C 0.762 178.360 177.584 0.023 0.000 1.104 186 A CA -0.017 52.005 52.037 -0.026 0.000 0.757 186 A CB 1.148 20.076 19.000 -0.121 0.000 1.313 186 A HN 0.906 nan 8.150 nan 0.000 0.423 187 D N 0.241 120.700 120.400 0.099 0.000 2.092 187 D HA -0.099 4.541 4.640 0.001 0.000 0.193 187 D C 0.294 176.615 176.300 0.036 0.000 0.994 187 D CA 1.857 55.929 54.000 0.120 0.000 0.828 187 D CB 0.003 40.935 40.800 0.220 0.000 0.963 187 D HN 0.641 nan 8.370 nan 0.000 0.450 188 E N -1.626 118.569 120.200 -0.010 0.000 2.390 188 E HA 0.614 4.964 4.350 0.001 0.000 0.277 188 E C -0.675 175.862 176.600 -0.105 0.000 0.939 188 E CA -0.862 55.503 56.400 -0.059 0.000 0.769 188 E CB 2.366 32.041 29.700 -0.042 0.000 1.251 188 E HN 0.202 nan 8.360 nan 0.000 0.450 189 G N 0.148 108.859 108.800 -0.148 0.000 2.437 189 G HA2 0.542 4.502 3.960 0.001 0.000 0.319 189 G HA3 0.542 4.502 3.960 0.001 0.000 0.319 189 G C -0.924 173.893 174.900 -0.138 0.000 1.158 189 G CA -0.366 44.636 45.100 -0.164 0.000 0.899 189 G HN 0.215 nan 8.290 nan 0.000 0.502 190 V N 0.915 120.754 119.914 -0.125 0.000 2.483 190 V HA 0.678 4.798 4.120 0.001 0.000 0.297 190 V C 0.012 176.002 176.094 -0.174 0.000 1.027 190 V CA -0.771 61.450 62.300 -0.132 0.000 0.855 190 V CB 1.445 33.221 31.823 -0.079 0.000 0.995 190 V HN 0.845 nan 8.190 nan 0.000 0.424 191 R N 3.946 124.308 120.500 -0.230 0.000 2.548 191 R HA 0.618 4.958 4.340 0.001 0.000 0.280 191 R C 0.229 176.299 176.300 -0.383 0.000 1.061 191 R CA 0.100 56.044 56.100 -0.260 0.000 0.915 191 R CB 1.769 31.948 30.300 -0.202 0.000 1.210 191 R HN 1.274 nan 8.270 nan 0.000 0.442 192 A N 2.543 125.094 122.820 -0.449 0.000 2.665 192 A HA -0.190 4.130 4.320 0.001 0.000 0.301 192 A C 1.109 177.686 177.584 -1.677 0.000 1.509 192 A CA 1.801 53.313 52.037 -0.875 0.000 0.789 192 A CB -2.127 16.591 19.000 -0.469 0.000 1.024 192 A HN 1.980 nan 8.150 nan 0.000 0.460 193 G N -3.447 104.454 108.800 -1.498 0.000 2.162 193 G HA2 0.199 4.159 3.960 0.001 0.000 0.260 193 G HA3 0.199 4.159 3.960 0.001 0.000 0.260 193 G C 0.626 175.234 174.900 -0.487 0.000 0.976 193 G CA 1.335 45.787 45.100 -1.080 0.000 0.655 193 G HN 2.620 nan 8.290 nan 0.000 0.533 194 A N -0.588 121.981 122.820 -0.417 0.000 2.380 194 A HA 0.886 5.206 4.320 0.001 0.000 0.315 194 A C 0.184 177.656 177.584 -0.187 0.000 1.101 194 A CA 0.378 52.269 52.037 -0.244 0.000 0.771 194 A CB 1.552 20.421 19.000 -0.218 0.000 1.287 194 A HN 0.875 nan 8.150 nan 0.000 0.436 195 S N 0.960 116.581 115.700 -0.131 0.000 2.525 195 S HA 0.534 5.005 4.470 0.001 0.000 0.278 195 S C -0.282 174.252 174.600 -0.110 0.000 1.234 195 S CA -0.360 57.775 58.200 -0.109 0.000 1.058 195 S CB 0.310 63.466 63.200 -0.073 0.000 0.983 195 S HN 0.446 nan 8.310 nan 0.000 0.495 196 I N 5.338 125.833 120.570 -0.126 0.000 2.339 196 I HA 0.326 4.497 4.170 0.001 0.000 0.290 196 I C -2.157 173.896 176.117 -0.108 0.000 0.994 196 I CA -3.163 58.056 61.300 -0.135 0.000 1.191 196 I CB 1.056 38.933 38.000 -0.205 0.000 1.343 196 I HN 0.328 nan 8.210 nan 0.000 0.458 197 P HA 0.218 nan 4.420 nan 0.000 0.220 197 P C 1.031 178.326 177.300 -0.010 0.000 1.806 197 P CA -0.165 62.917 63.100 -0.030 0.000 0.976 197 P CB 0.230 31.924 31.700 -0.010 0.000 1.952 198 L N 0.505 121.692 121.223 -0.060 0.000 1.990 198 L HA -0.261 4.079 4.340 0.001 0.000 0.213 198 L C 2.604 179.544 176.870 0.118 0.000 1.072 198 L CA 1.975 56.789 54.840 -0.043 0.000 0.755 198 L CB -0.892 41.012 42.059 -0.259 0.000 0.889 198 L HN 0.170 nan 8.230 nan 0.000 0.432 199 K N 0.924 121.359 120.400 0.059 0.000 2.057 199 K HA -0.216 4.105 4.320 0.001 0.000 0.206 199 K C 2.095 178.722 176.600 0.045 0.000 1.050 199 K CA 1.640 57.963 56.287 0.060 0.000 0.935 199 K CB -0.238 32.295 32.500 0.055 0.000 0.715 199 K HN 0.051 nan 8.250 nan 0.000 0.439 200 K N 0.013 120.439 120.400 0.043 0.000 2.103 200 K HA -0.164 4.156 4.320 0.001 0.000 0.207 200 K C 1.579 178.192 176.600 0.020 0.000 1.048 200 K CA 1.695 57.998 56.287 0.027 0.000 0.930 200 K CB -0.140 32.375 32.500 0.025 0.000 0.716 200 K HN 0.175 nan 8.250 nan 0.000 0.444 201 N N 0.352 119.085 118.700 0.055 0.000 2.120 201 N HA -0.134 4.606 4.740 0.001 0.000 0.188 201 N C 1.745 177.240 175.510 -0.026 0.000 1.024 201 N CA 1.190 54.268 53.050 0.047 0.000 0.852 201 N CB -0.370 38.220 38.487 0.171 0.000 1.003 201 N HN -0.013 nan 8.380 nan 0.000 0.424 202 V N 1.724 121.638 119.914 0.000 0.000 2.343 202 V HA -0.210 3.911 4.120 0.001 0.000 0.247 202 V C 1.638 177.680 176.094 -0.086 0.000 1.051 202 V CA 1.639 63.892 62.300 -0.080 0.000 1.036 202 V CB -0.508 31.302 31.823 -0.021 0.000 0.654 202 V HN 0.211 nan 8.190 nan 0.000 0.451 203 D N 0.159 120.523 120.400 -0.061 0.000 2.104 203 D HA -0.171 4.469 4.640 0.001 0.000 0.194 203 D C 1.935 178.193 176.300 -0.069 0.000 0.994 203 D CA 1.587 55.545 54.000 -0.070 0.000 0.830 203 D CB -0.390 40.381 40.800 -0.048 0.000 0.959 203 D HN 0.420 nan 8.370 nan 0.000 0.452 204 D N 0.380 120.745 120.400 -0.059 0.000 2.117 204 D HA -0.089 4.552 4.640 0.001 0.000 0.197 204 D C 2.033 178.282 176.300 -0.085 0.000 0.987 204 D CA 1.334 55.296 54.000 -0.062 0.000 0.829 204 D CB -0.434 40.335 40.800 -0.052 0.000 0.961 204 D HN 0.145 nan 8.370 nan 0.000 0.460 205 A N 0.728 123.481 122.820 -0.110 0.000 1.908 205 A HA -0.144 4.177 4.320 0.001 0.000 0.218 205 A C 2.275 179.788 177.584 -0.118 0.000 1.181 205 A CA 1.053 53.008 52.037 -0.136 0.000 0.627 205 A CB -0.802 18.082 19.000 -0.194 0.000 0.818 205 A HN 0.257 nan 8.150 nan 0.000 0.445 206 L N -1.243 119.914 121.223 -0.110 0.000 2.478 206 L HA -0.048 4.292 4.340 0.001 0.000 0.223 206 L C 2.025 178.843 176.870 -0.086 0.000 1.140 206 L CA 0.741 55.520 54.840 -0.102 0.000 0.842 206 L CB -0.292 41.702 42.059 -0.109 0.000 0.953 206 L HN 0.355 nan 8.230 nan 0.000 0.452 207 K N -0.183 120.170 120.400 -0.077 0.000 2.439 207 K HA -0.047 4.274 4.320 0.001 0.000 0.197 207 K C 0.839 177.404 176.600 -0.059 0.000 1.041 207 K CA -0.079 56.170 56.287 -0.063 0.000 0.970 207 K CB -0.094 32.374 32.500 -0.053 0.000 0.773 207 K HN 0.163 nan 8.250 nan 0.000 0.479 208 N N 2.247 120.907 118.700 -0.067 0.000 2.440 208 N HA -0.029 4.712 4.740 0.001 0.000 0.265 208 N C -1.768 173.709 175.510 -0.055 0.000 1.239 208 N CA -1.095 51.917 53.050 -0.062 0.000 0.909 208 N CB 1.101 39.543 38.487 -0.075 0.000 1.066 208 N HN -0.027 nan 8.380 nan 0.000 0.474 209 P HA -0.044 nan 4.420 nan 0.000 0.230 209 P C 0.298 177.575 177.300 -0.038 0.000 1.158 209 P CA 0.769 63.846 63.100 -0.039 0.000 0.769 209 P CB 0.448 32.130 31.700 -0.030 0.000 0.807 210 N N -0.179 118.498 118.700 -0.040 0.000 2.467 210 N HA 0.016 4.757 4.740 0.001 0.000 0.184 210 N C 0.202 175.686 175.510 -0.043 0.000 1.106 210 N CA 0.314 53.342 53.050 -0.036 0.000 0.892 210 N CB 0.241 38.708 38.487 -0.034 0.000 0.969 210 N HN 0.080 nan 8.380 nan 0.000 0.454 211 V N 2.032 121.913 119.914 -0.055 0.000 2.372 211 V HA 0.088 4.208 4.120 0.001 0.000 0.261 211 V C 1.277 177.338 176.094 -0.056 0.000 1.055 211 V CA 0.251 62.515 62.300 -0.061 0.000 0.930 211 V CB 0.798 32.574 31.823 -0.079 0.000 1.031 211 V HN 0.278 nan 8.190 nan 0.000 0.479 212 T N -1.074 113.452 114.554 -0.046 0.000 2.975 212 T HA 0.001 4.351 4.350 0.001 0.000 0.261 212 T C 1.460 176.133 174.700 -0.045 0.000 0.984 212 T CA 0.515 62.589 62.100 -0.044 0.000 0.911 212 T CB 0.291 69.140 68.868 -0.031 0.000 1.127 212 T HN 0.625 nan 8.240 nan 0.000 0.514 213 S N 0.697 116.372 115.700 -0.042 0.000 2.503 213 S HA 0.289 4.760 4.470 0.001 0.000 0.217 213 S C 0.539 175.108 174.600 -0.051 0.000 0.999 213 S CA -0.334 57.846 58.200 -0.035 0.000 0.914 213 S CB -0.314 62.878 63.200 -0.014 0.000 0.782 213 S HN 0.292 nan 8.310 nan 0.000 0.520 214 V N 2.877 122.749 119.914 -0.069 0.000 2.427 214 V HA 0.267 4.387 4.120 0.001 0.000 0.268 214 V C 0.777 176.791 176.094 -0.132 0.000 1.046 214 V CA -0.045 62.204 62.300 -0.085 0.000 0.970 214 V CB 0.829 32.600 31.823 -0.088 0.000 1.001 214 V HN 0.437 nan 8.190 nan 0.000 0.476 215 E N 2.771 122.875 120.200 -0.159 0.000 2.201 215 E HA 0.157 4.507 4.350 0.001 0.000 0.193 215 E C 0.089 176.342 176.600 -0.577 0.000 0.957 215 E CA 0.427 56.629 56.400 -0.330 0.000 0.858 215 E CB 0.431 29.967 29.700 -0.274 0.000 0.816 215 E HN 0.719 nan 8.360 nan 0.000 0.475 216 H N -0.887 118.132 119.070 -0.086 0.000 2.980 216 H HA 0.417 4.973 4.556 0.001 0.000 0.367 216 H C -1.138 174.125 175.328 -0.108 0.000 1.206 216 H CA -0.717 55.266 56.048 -0.109 0.000 1.126 216 H CB 2.026 31.733 29.762 -0.092 0.000 1.838 216 H HN -0.190 nan 8.280 nan 0.000 0.552 217 V N 3.251 123.161 119.914 -0.006 0.000 2.443 217 V HA 0.301 4.421 4.120 0.001 0.000 0.293 217 V C 0.270 176.333 176.094 -0.052 0.000 1.021 217 V CA -0.560 61.707 62.300 -0.055 0.000 0.848 217 V CB 1.579 33.314 31.823 -0.147 0.000 0.998 217 V HN 0.482 nan 8.190 nan 0.000 0.424 218 I N 5.040 125.642 120.570 0.054 0.000 2.342 218 I HA 0.446 4.616 4.170 0.001 0.000 0.291 218 I C -0.503 175.723 176.117 0.181 0.000 1.010 218 I CA -0.516 60.869 61.300 0.142 0.000 1.308 218 I CB 1.677 39.831 38.000 0.257 0.000 1.400 218 I HN 0.297 nan 8.210 nan 0.000 0.488 219 V N 7.179 127.209 119.914 0.194 0.000 2.444 219 V HA 0.293 4.414 4.120 0.001 0.000 0.294 219 V C -0.247 176.093 176.094 0.411 0.000 1.022 219 V CA -0.751 61.659 62.300 0.182 0.000 0.850 219 V CB 1.808 33.607 31.823 -0.040 0.000 0.992 219 V HN 0.428 nan 8.190 nan 0.000 0.426 220 L N 4.671 126.060 121.223 0.275 0.000 2.319 220 L HA 0.398 4.738 4.340 0.001 0.000 0.280 220 L C 0.508 177.530 176.870 0.253 0.000 1.099 220 L CA 0.170 55.108 54.840 0.164 0.000 0.828 220 L CB 0.683 42.575 42.059 -0.279 0.000 1.150 220 L HN 0.660 nan 8.230 nan 0.000 0.442 221 K N 4.099 124.665 120.400 0.276 0.000 2.167 221 K HA 0.055 4.376 4.320 0.001 0.000 0.275 221 K C 0.869 177.444 176.600 -0.042 0.000 1.103 221 K CA -0.169 56.184 56.287 0.110 0.000 0.963 221 K CB 0.258 32.614 32.500 -0.239 0.000 1.243 221 K HN 0.672 nan 8.250 nan 0.000 0.407 222 R N 1.616 122.096 120.500 -0.034 0.000 2.075 222 R HA -0.037 4.304 4.340 0.001 0.000 0.220 222 R C 1.759 178.023 176.300 -0.060 0.000 1.118 222 R CA 2.318 58.362 56.100 -0.093 0.000 0.986 222 R CB -0.281 29.951 30.300 -0.113 0.000 0.884 222 R HN 0.613 nan 8.270 nan 0.000 0.439 223 T N -4.490 110.046 114.554 -0.030 0.000 3.023 223 T HA 0.274 4.625 4.350 0.001 0.000 0.249 223 T C 1.365 176.048 174.700 -0.029 0.000 1.050 223 T CA 0.429 62.515 62.100 -0.025 0.000 1.088 223 T CB 0.350 69.207 68.868 -0.018 0.000 0.946 223 T HN 0.402 nan 8.240 nan 0.000 0.480 224 G N 1.922 110.706 108.800 -0.026 0.000 2.141 224 G HA2 -0.260 3.700 3.960 0.001 0.000 0.242 224 G HA3 -0.260 3.700 3.960 0.001 0.000 0.242 224 G C 0.278 175.171 174.900 -0.011 0.000 0.982 224 G CA 0.408 45.476 45.100 -0.052 0.000 0.662 224 G HN 1.372 nan 8.290 nan 0.000 0.527 225 S N 0.200 115.914 115.700 0.023 0.000 2.576 225 S HA 0.400 4.871 4.470 0.001 0.000 0.272 225 S C 0.071 174.708 174.600 0.063 0.000 1.352 225 S CA -0.054 58.166 58.200 0.033 0.000 1.021 225 S CB 1.150 64.369 63.200 0.032 0.000 0.887 225 S HN 0.213 nan 8.310 nan 0.000 0.542 226 D N 1.818 122.249 120.400 0.050 0.000 2.434 226 D HA 0.339 4.979 4.640 0.001 0.000 0.252 226 D C 0.387 176.744 176.300 0.095 0.000 1.185 226 D CA 0.374 54.414 54.000 0.065 0.000 0.886 226 D CB -0.038 40.789 40.800 0.045 0.000 1.148 226 D HN 0.672 nan 8.370 nan 0.000 0.483 227 I N -1.720 118.933 120.570 0.140 0.000 3.239 227 I HA 0.504 4.674 4.170 0.001 0.000 0.314 227 I C -0.585 175.640 176.117 0.181 0.000 1.126 227 I CA -1.126 60.271 61.300 0.162 0.000 0.973 227 I CB 2.309 40.436 38.000 0.213 0.000 1.252 227 I HN -0.122 nan 8.210 nan 0.000 0.463 228 D N 1.563 122.062 120.400 0.165 0.000 2.253 228 D HA 0.263 4.904 4.640 0.001 0.000 0.249 228 D C -1.591 174.863 176.300 0.257 0.000 1.049 228 D CA 0.170 54.269 54.000 0.165 0.000 0.929 228 D CB 2.158 43.008 40.800 0.083 0.000 1.176 228 D HN 0.571 nan 8.370 nan 0.000 0.437 229 W N 2.085 123.376 121.300 -0.016 0.000 2.756 229 W HA 0.160 4.821 4.660 0.001 0.000 0.333 229 W C -1.032 175.465 176.519 -0.037 0.000 1.025 229 W CA -0.608 56.710 57.345 -0.045 0.000 1.246 229 W CB 1.575 31.032 29.460 -0.005 0.000 1.358 229 W HN 0.305 nan 8.180 nan 0.000 0.444 230 Q N 4.143 123.680 119.800 -0.438 0.000 2.406 230 Q HA 0.104 4.445 4.340 0.001 0.000 0.242 230 Q C -0.268 175.512 176.000 -0.367 0.000 1.036 230 Q CA -0.156 55.463 55.803 -0.307 0.000 0.904 230 Q CB 0.959 29.538 28.738 -0.265 0.000 1.244 230 Q HN 0.350 nan 8.270 nan 0.000 0.478 231 E N 2.110 122.237 120.200 -0.121 0.000 2.415 231 E HA 0.186 4.536 4.350 0.001 0.000 0.263 231 E C 0.839 177.409 176.600 -0.049 0.000 0.995 231 E CA 1.855 58.246 56.400 -0.014 0.000 0.915 231 E CB 0.541 30.300 29.700 0.099 0.000 0.951 231 E HN 0.839 nan 8.360 nan 0.000 0.449 232 G N 4.134 112.925 108.800 -0.016 0.000 2.659 232 G HA2 -0.386 3.574 3.960 0.001 0.000 0.212 232 G HA3 -0.386 3.574 3.960 0.001 0.000 0.212 232 G C 1.317 176.229 174.900 0.019 0.000 1.226 232 G CA 0.433 45.539 45.100 0.010 0.000 0.739 232 G HN 0.548 nan 8.290 nan 0.000 0.528 233 R N 1.119 121.553 120.500 -0.111 0.000 2.066 233 R HA 0.091 4.431 4.340 0.001 0.000 0.224 233 R C -0.176 176.036 176.300 -0.146 0.000 1.122 233 R CA 1.234 57.254 56.100 -0.134 0.000 0.974 233 R CB -0.131 30.031 30.300 -0.231 0.000 0.871 233 R HN 0.393 nan 8.270 nan 0.000 0.435 234 D N 0.978 121.086 120.400 -0.487 0.000 2.264 234 D HA 0.285 4.925 4.640 0.001 0.000 0.250 234 D C -0.669 175.299 176.300 -0.553 0.000 1.113 234 D CA 0.129 53.604 54.000 -0.875 0.000 0.871 234 D CB 1.516 41.116 40.800 -2.000 0.000 1.167 234 D HN 0.139 nan 8.370 nan 0.000 0.447 235 L N 1.420 122.493 121.223 -0.250 0.000 2.431 235 L HA 0.430 4.771 4.340 0.001 0.000 0.266 235 L C -0.724 176.300 176.870 0.258 0.000 0.978 235 L CA -1.082 53.828 54.840 0.117 0.000 0.822 235 L CB 1.852 43.920 42.059 0.015 0.000 1.310 235 L HN 0.268 nan 8.230 nan 0.000 0.409 236 W N 2.479 124.048 121.300 0.449 0.000 2.304 236 W HA 0.080 4.740 4.660 0.001 0.000 0.313 236 W C 1.092 177.776 176.519 0.276 0.000 1.323 236 W CA -0.180 57.366 57.345 0.335 0.000 1.223 236 W CB 0.824 30.372 29.460 0.148 0.000 1.237 236 W HN 0.635 nan 8.180 nan 0.000 0.535 237 W N 4.535 126.071 121.300 0.392 0.000 2.290 237 W HA -0.333 4.328 4.660 0.001 0.000 0.323 237 W C 2.010 178.650 176.519 0.202 0.000 1.260 237 W CA 2.285 59.785 57.345 0.258 0.000 1.266 237 W CB -0.452 29.105 29.460 0.163 0.000 1.149 237 W HN 0.517 nan 8.180 nan 0.000 0.482 238 R N 0.561 121.369 120.500 0.513 0.000 2.073 238 R HA -0.169 4.172 4.340 0.001 0.000 0.234 238 R C 2.026 178.419 176.300 0.155 0.000 1.134 238 R CA 2.164 58.446 56.100 0.303 0.000 0.952 238 R CB -0.862 29.547 30.300 0.182 0.000 0.850 238 R HN -0.032 nan 8.270 nan 0.000 0.433 239 D N 0.720 121.225 120.400 0.174 0.000 2.133 239 D HA -0.192 4.448 4.640 0.001 0.000 0.195 239 D C 1.997 178.340 176.300 0.071 0.000 0.997 239 D CA 1.309 55.380 54.000 0.119 0.000 0.840 239 D CB -0.078 40.829 40.800 0.179 0.000 0.947 239 D HN 0.316 nan 8.370 nan 0.000 0.452 240 L N 0.323 121.584 121.223 0.064 0.000 2.005 240 L HA -0.083 4.257 4.340 0.001 0.000 0.207 240 L C 2.646 179.464 176.870 -0.086 0.000 1.072 240 L CA 0.623 55.442 54.840 -0.035 0.000 0.744 240 L CB -0.216 41.795 42.059 -0.080 0.000 0.895 240 L HN -0.007 nan 8.230 nan 0.000 0.433 241 I N -0.292 120.211 120.570 -0.112 0.000 2.439 241 I HA -0.243 3.928 4.170 0.001 0.000 0.251 241 I C 2.263 178.355 176.117 -0.040 0.000 1.139 241 I CA 1.194 62.424 61.300 -0.117 0.000 1.438 241 I CB 0.088 37.982 38.000 -0.177 0.000 1.085 241 I HN 0.307 nan 8.210 nan 0.000 0.427 242 E N 0.669 120.865 120.200 -0.007 0.000 2.208 242 E HA -0.203 4.147 4.350 0.001 0.000 0.193 242 E C 2.218 178.814 176.600 -0.007 0.000 0.988 242 E CA 1.207 57.610 56.400 0.005 0.000 0.828 242 E CB -0.071 29.641 29.700 0.019 0.000 0.763 242 E HN 0.500 nan 8.360 nan 0.000 0.478 243 K N 1.006 121.395 120.400 -0.017 0.000 2.365 243 K HA 0.297 4.618 4.320 0.001 0.000 0.197 243 K C 0.883 177.463 176.600 -0.034 0.000 1.042 243 K CA 0.850 57.124 56.287 -0.022 0.000 0.987 243 K CB -0.019 32.467 32.500 -0.023 0.000 0.779 243 K HN 0.166 nan 8.250 nan 0.000 0.484 244 A N 0.636 123.427 122.820 -0.049 0.000 2.316 244 A HA 0.545 4.865 4.320 0.001 0.000 0.284 244 A C 0.483 178.046 177.584 -0.035 0.000 1.115 244 A CA 0.085 52.087 52.037 -0.058 0.000 0.812 244 A CB 0.651 19.591 19.000 -0.100 0.000 1.064 244 A HN 0.440 nan 8.150 nan 0.000 0.489 245 S N 2.054 117.738 115.700 -0.026 0.000 2.549 245 S HA 0.283 4.753 4.470 0.001 0.000 0.283 245 S C -1.297 173.301 174.600 -0.002 0.000 1.320 245 S CA -0.898 57.297 58.200 -0.007 0.000 1.058 245 S CB 0.492 63.693 63.200 0.001 0.000 0.882 245 S HN 0.518 nan 8.310 nan 0.000 0.498 246 P HA 0.107 nan 4.420 nan 0.000 0.245 246 P C -0.420 176.891 177.300 0.019 0.000 1.212 246 P CA 0.448 63.553 63.100 0.007 0.000 0.774 246 P CB 0.114 31.828 31.700 0.023 0.000 0.999 247 E N 0.822 121.044 120.200 0.036 0.000 2.134 247 E HA 0.256 4.607 4.350 0.001 0.000 0.278 247 E C -0.384 176.267 176.600 0.085 0.000 0.959 247 E CA -0.146 56.286 56.400 0.054 0.000 0.783 247 E CB 1.141 30.863 29.700 0.037 0.000 1.095 247 E HN 0.263 nan 8.360 nan 0.000 0.399 248 H N 2.404 121.463 119.070 -0.019 0.000 2.877 248 H HA 0.141 4.698 4.556 0.001 0.000 0.347 248 H C -1.187 174.145 175.328 0.007 0.000 1.042 248 H CA -0.691 55.344 56.048 -0.021 0.000 1.276 248 H CB 1.838 31.571 29.762 -0.048 0.000 1.681 248 H HN 0.357 nan 8.280 nan 0.000 0.521 249 Q N 6.622 126.152 119.800 -0.450 0.000 2.294 249 Q HA 0.342 4.682 4.340 0.001 0.000 0.257 249 Q C -2.595 173.224 176.000 -0.302 0.000 0.955 249 Q CA -1.531 54.116 55.803 -0.260 0.000 0.936 249 Q CB 1.261 29.883 28.738 -0.193 0.000 1.188 249 Q HN 0.349 nan 8.270 nan 0.000 0.420 250 P HA 0.199 nan 4.420 nan 0.000 0.279 250 P C -0.965 176.342 177.300 0.012 0.000 1.239 250 P CA -0.210 62.930 63.100 0.067 0.000 0.789 250 P CB 0.974 32.737 31.700 0.105 0.000 0.933 251 E N 0.675 120.896 120.200 0.035 0.000 2.202 251 E HA 0.497 4.847 4.350 0.001 0.000 0.272 251 E C -0.275 176.339 176.600 0.023 0.000 0.951 251 E CA -1.031 55.379 56.400 0.016 0.000 0.813 251 E CB 2.056 31.766 29.700 0.016 0.000 1.151 251 E HN 0.442 nan 8.360 nan 0.000 0.398 252 A N 3.675 126.507 122.820 0.020 0.000 2.492 252 A HA 0.256 4.576 4.320 0.001 0.000 0.254 252 A C 0.060 177.663 177.584 0.031 0.000 1.091 252 A CA -0.042 52.011 52.037 0.027 0.000 0.768 252 A CB -0.085 18.939 19.000 0.040 0.000 1.028 252 A HN 0.390 nan 8.150 nan 0.000 0.498 253 M N 2.617 122.232 119.600 0.026 0.000 2.363 253 M HA 0.254 4.734 4.480 0.001 0.000 0.343 253 M C 0.512 176.846 176.300 0.057 0.000 1.165 253 M CA -0.743 54.575 55.300 0.029 0.000 1.046 253 M CB 0.951 33.555 32.600 0.006 0.000 1.648 253 M HN 0.848 nan 8.290 nan 0.000 0.452 254 N N 0.888 119.627 118.700 0.066 0.000 2.479 254 N HA 0.125 4.865 4.740 0.001 0.000 0.257 254 N C 0.735 176.318 175.510 0.122 0.000 1.232 254 N CA 0.314 53.426 53.050 0.105 0.000 0.920 254 N CB 1.237 39.772 38.487 0.079 0.000 1.105 254 N HN 0.745 nan 8.380 nan 0.000 0.444 255 A N 3.219 126.170 122.820 0.217 0.000 1.986 255 A HA -0.149 4.172 4.320 0.001 0.000 0.220 255 A C 1.427 179.109 177.584 0.163 0.000 1.171 255 A CA 1.404 53.599 52.037 0.264 0.000 0.640 255 A CB -0.123 19.165 19.000 0.481 0.000 0.811 255 A HN 0.777 nan 8.150 nan 0.000 0.451 256 E N 0.723 120.991 120.200 0.113 0.000 2.463 256 E HA 0.064 4.414 4.350 0.001 0.000 0.193 256 E C -0.754 175.851 176.600 0.008 0.000 1.041 256 E CA -0.189 56.242 56.400 0.051 0.000 0.879 256 E CB -0.099 29.620 29.700 0.032 0.000 0.997 256 E HN 0.496 nan 8.360 nan 0.000 0.478 257 D N 2.869 123.278 120.400 0.016 0.000 2.425 257 D HA 0.054 4.695 4.640 0.001 0.000 0.247 257 D C -2.191 174.085 176.300 -0.040 0.000 1.147 257 D CA -1.463 52.532 54.000 -0.008 0.000 0.879 257 D CB 0.704 41.506 40.800 0.003 0.000 1.179 257 D HN -0.019 nan 8.370 nan 0.000 0.456 258 P HA -0.046 nan 4.420 nan 0.000 0.268 258 P C 0.380 177.609 177.300 -0.119 0.000 1.204 258 P CA -0.274 62.769 63.100 -0.095 0.000 0.768 258 P CB 1.055 32.724 31.700 -0.052 0.000 0.842 259 L N 4.735 125.832 121.223 -0.210 0.000 2.349 259 L HA 0.355 4.695 4.340 0.001 0.000 0.200 259 L C 0.303 177.039 176.870 -0.223 0.000 1.064 259 L CA 1.272 55.982 54.840 -0.217 0.000 0.821 259 L CB -0.156 41.734 42.059 -0.282 0.000 1.027 259 L HN 0.438 nan 8.230 nan 0.000 0.476 260 F N -1.581 118.193 119.950 -0.294 0.000 2.686 260 F HA 0.673 5.200 4.527 0.001 0.000 0.311 260 F C -1.274 174.439 175.800 -0.145 0.000 1.128 260 F CA -1.863 55.936 58.000 -0.335 0.000 0.946 260 F CB 0.544 39.224 39.000 -0.534 0.000 1.336 260 F HN -0.238 nan 8.300 nan 0.000 0.457 261 I N 2.619 123.327 120.570 0.230 0.000 2.509 261 I HA 0.519 4.689 4.170 0.001 0.000 0.293 261 I C -1.273 174.994 176.117 0.249 0.000 1.020 261 I CA -0.775 60.578 61.300 0.088 0.000 1.088 261 I CB 2.127 40.009 38.000 -0.197 0.000 1.267 261 I HN 0.578 nan 8.210 nan 0.000 0.430 262 L N 6.339 127.665 121.223 0.172 0.000 2.404 262 L HA 0.442 4.782 4.340 0.001 0.000 0.272 262 L C -1.171 175.735 176.870 0.061 0.000 0.980 262 L CA -0.712 54.241 54.840 0.189 0.000 0.836 262 L CB 1.473 43.672 42.059 0.232 0.000 1.238 262 L HN 0.452 nan 8.230 nan 0.000 0.408 263 Y N 2.248 122.659 120.300 0.185 0.000 2.544 263 Y HA 0.160 4.710 4.550 0.001 0.000 0.330 263 Y C 0.644 176.679 175.900 0.226 0.000 1.136 263 Y CA 0.468 58.666 58.100 0.162 0.000 1.417 263 Y CB 0.770 39.273 38.460 0.072 0.000 1.229 263 Y HN 0.382 nan 8.280 nan 0.000 0.532 264 T N 2.585 117.308 114.554 0.282 0.000 2.921 264 T HA 0.282 4.633 4.350 0.001 0.000 0.297 264 T C -0.405 174.418 174.700 0.204 0.000 1.013 264 T CA -1.047 61.198 62.100 0.242 0.000 0.990 264 T CB 1.074 70.063 68.868 0.201 0.000 1.023 264 T HN 0.449 nan 8.240 nan 0.000 0.447 265 S N 1.820 117.623 115.700 0.171 0.000 2.562 265 S HA 0.587 5.057 4.470 0.001 0.000 0.281 265 S C 0.793 175.447 174.600 0.089 0.000 1.333 265 S CA -0.584 57.691 58.200 0.125 0.000 1.052 265 S CB 0.751 64.012 63.200 0.102 0.000 0.884 265 S HN 0.924 nan 8.310 nan 0.000 0.506 266 G N 0.359 109.199 108.800 0.066 0.000 2.788 266 G HA2 0.452 4.412 3.960 0.001 0.000 0.293 266 G HA3 0.452 4.412 3.960 0.001 0.000 0.293 266 G C 0.726 175.624 174.900 -0.003 0.000 1.305 266 G CA -0.474 44.638 45.100 0.020 0.000 1.005 266 G HN 0.575 nan 8.290 nan 0.000 0.496 267 S N -1.447 114.229 115.700 -0.040 0.000 2.399 267 S HA 0.010 4.481 4.470 0.001 0.000 0.231 267 S C 1.194 175.781 174.600 -0.020 0.000 1.022 267 S CA 1.854 60.034 58.200 -0.035 0.000 0.983 267 S CB -0.349 62.815 63.200 -0.060 0.000 0.803 267 S HN 1.135 nan 8.310 nan 0.000 0.480 268 T N -2.032 112.507 114.554 -0.025 0.000 2.909 268 T HA 0.660 5.011 4.350 0.001 0.000 0.299 268 T C 0.148 174.850 174.700 0.003 0.000 1.073 268 T CA -0.162 61.931 62.100 -0.011 0.000 0.999 268 T CB 1.222 70.075 68.868 -0.024 0.000 1.098 268 T HN 0.880 nan 8.240 nan 0.000 0.477 269 G N 1.692 110.502 108.800 0.017 0.000 2.860 269 G HA2 -0.117 3.844 3.960 0.001 0.000 0.553 269 G HA3 -0.117 3.844 3.960 0.001 0.000 0.553 269 G C -0.585 174.343 174.900 0.046 0.000 1.439 269 G CA -0.583 44.535 45.100 0.031 0.000 0.879 269 G HN 0.969 nan 8.290 nan 0.000 0.545 270 K N 0.932 121.365 120.400 0.055 0.000 2.230 270 K HA 0.335 4.656 4.320 0.001 0.000 0.253 270 K C -2.013 174.648 176.600 0.102 0.000 1.008 270 K CA -0.828 55.499 56.287 0.066 0.000 0.910 270 K CB 0.118 32.649 32.500 0.051 0.000 0.994 270 K HN 0.303 nan 8.250 nan 0.000 0.495 271 P HA -0.056 nan 4.420 nan 0.000 0.264 271 P C -0.893 176.591 177.300 0.307 0.000 1.183 271 P CA 0.540 63.762 63.100 0.202 0.000 0.763 271 P CB 0.503 32.328 31.700 0.207 0.000 0.807 272 K N 1.516 122.078 120.400 0.270 0.000 2.281 272 K HA 0.508 4.829 4.320 0.001 0.000 0.242 272 K C 0.454 177.039 176.600 -0.026 0.000 0.971 272 K CA -0.781 55.642 56.287 0.226 0.000 0.834 272 K CB 1.600 34.208 32.500 0.180 0.000 1.181 272 K HN 0.488 nan 8.250 nan 0.000 0.435 273 G N 0.975 109.576 108.800 -0.333 0.000 2.519 273 G HA2 0.272 4.232 3.960 0.001 0.000 0.306 273 G HA3 0.272 4.232 3.960 0.001 0.000 0.306 273 G C -0.106 174.684 174.900 -0.184 0.000 0.965 273 G CA -0.416 44.258 45.100 -0.709 0.000 1.291 273 G HN 0.210 nan 8.290 nan 0.000 0.450 274 V N 4.129 123.992 119.914 -0.085 0.000 2.485 274 V HA 0.079 4.200 4.120 0.001 0.000 0.287 274 V C 0.618 176.651 176.094 -0.102 0.000 1.022 274 V CA -0.084 62.210 62.300 -0.009 0.000 1.067 274 V CB 0.952 32.826 31.823 0.084 0.000 0.967 274 V HN 0.604 nan 8.190 nan 0.000 0.479 275 L N 6.222 127.321 121.223 -0.206 0.000 2.282 275 L HA 0.540 4.880 4.340 0.001 0.000 0.288 275 L C -0.221 176.337 176.870 -0.521 0.000 1.033 275 L CA -0.313 54.359 54.840 -0.280 0.000 0.807 275 L CB 0.650 42.613 42.059 -0.160 0.000 1.209 275 L HN 0.620 nan 8.230 nan 0.000 0.423 276 H N 2.747 121.475 119.070 -0.569 0.000 2.472 276 H HA 0.369 4.925 4.556 0.001 0.000 0.338 276 H C -0.100 174.907 175.328 -0.535 0.000 1.133 276 H CA -0.280 55.382 56.048 -0.644 0.000 1.216 276 H CB 1.945 31.007 29.762 -1.167 0.000 1.497 276 H HN 0.717 nan 8.280 nan 0.000 0.500 277 T N -0.630 113.811 114.554 -0.189 0.000 2.924 277 T HA 0.180 4.530 4.350 0.001 0.000 0.301 277 T C 1.099 175.753 174.700 -0.075 0.000 1.120 277 T CA -0.289 61.737 62.100 -0.123 0.000 0.940 277 T CB 0.517 69.353 68.868 -0.053 0.000 1.591 277 T HN 0.451 nan 8.240 nan 0.000 0.578 278 T N -0.535 114.016 114.554 -0.004 0.000 3.053 278 T HA 0.279 4.630 4.350 0.001 0.000 0.236 278 T C 2.183 176.922 174.700 0.065 0.000 0.996 278 T CA 0.565 62.666 62.100 0.002 0.000 1.185 278 T CB -0.944 67.903 68.868 -0.035 0.000 0.892 278 T HN 0.723 nan 8.240 nan 0.000 0.432 279 G N 1.310 110.186 108.800 0.127 0.000 2.464 279 G HA2 0.026 3.986 3.960 0.001 0.000 0.214 279 G HA3 0.026 3.986 3.960 0.001 0.000 0.214 279 G C 1.750 176.829 174.900 0.297 0.000 1.218 279 G CA 0.971 46.198 45.100 0.212 0.000 0.794 279 G HN 0.528 nan 8.290 nan 0.000 0.542 280 G N -0.108 108.909 108.800 0.362 0.000 2.446 280 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 280 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 280 G C 1.653 176.585 174.900 0.052 0.000 1.168 280 G CA 1.325 46.525 45.100 0.167 0.000 0.771 280 G HN 0.446 nan 8.290 nan 0.000 0.551 281 Y N 0.762 121.054 120.300 -0.012 0.000 2.081 281 Y HA -0.170 4.380 4.550 0.001 0.000 0.280 281 Y C 2.492 178.392 175.900 0.001 0.000 1.163 281 Y CA 2.062 60.151 58.100 -0.018 0.000 1.135 281 Y CB -0.459 37.963 38.460 -0.063 0.000 0.970 281 Y HN 0.146 nan 8.280 nan 0.000 0.498 282 L N -0.641 120.543 121.223 -0.064 0.000 2.109 282 L HA -0.091 4.250 4.340 0.001 0.000 0.207 282 L C 2.315 179.109 176.870 -0.126 0.000 1.086 282 L CA 1.332 56.068 54.840 -0.173 0.000 0.760 282 L CB -0.824 41.185 42.059 -0.082 0.000 0.910 282 L HN 0.204 nan 8.230 nan 0.000 0.437 283 V N -1.036 118.877 119.914 -0.002 0.000 2.287 283 V HA -0.367 3.753 4.120 0.001 0.000 0.248 283 V C 2.243 178.412 176.094 0.126 0.000 1.053 283 V CA 2.326 64.695 62.300 0.115 0.000 1.027 283 V CB -0.842 31.135 31.823 0.257 0.000 0.646 283 V HN 0.553 nan 8.190 nan 0.000 0.447 284 Y N 0.625 120.865 120.300 -0.100 0.000 2.163 284 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 284 Y C 2.440 178.217 175.900 -0.206 0.000 1.136 284 Y CA 1.590 59.627 58.100 -0.105 0.000 1.147 284 Y CB -0.359 37.986 38.460 -0.192 0.000 0.987 284 Y HN 0.181 nan 8.280 nan 0.000 0.509 285 A N 0.270 122.860 122.820 -0.384 0.000 1.883 285 A HA -0.237 4.083 4.320 0.001 0.000 0.217 285 A C 2.352 179.748 177.584 -0.315 0.000 1.186 285 A CA 2.107 53.806 52.037 -0.562 0.000 0.624 285 A CB -1.492 17.049 19.000 -0.764 0.000 0.822 285 A HN 0.572 nan 8.150 nan 0.000 0.444 286 A N -1.265 121.442 122.820 -0.189 0.000 1.873 286 A HA -0.051 4.269 4.320 0.001 0.000 0.215 286 A C 2.326 179.906 177.584 -0.005 0.000 1.186 286 A CA 2.262 54.259 52.037 -0.067 0.000 0.616 286 A CB -1.270 17.702 19.000 -0.046 0.000 0.823 286 A HN 0.438 nan 8.150 nan 0.000 0.442 287 T N 0.397 114.962 114.554 0.018 0.000 2.708 287 T HA -0.164 4.186 4.350 0.001 0.000 0.266 287 T C 2.225 176.977 174.700 0.087 0.000 1.037 287 T CA 2.396 64.575 62.100 0.132 0.000 1.146 287 T CB -0.812 68.343 68.868 0.478 0.000 0.865 287 T HN 0.816 nan 8.240 nan 0.000 0.435 288 T N 1.007 115.403 114.554 -0.263 0.000 2.708 288 T HA -0.131 4.219 4.350 0.001 0.000 0.266 288 T C 1.738 176.254 174.700 -0.306 0.000 1.037 288 T CA 1.153 62.865 62.100 -0.647 0.000 1.146 288 T CB -0.999 67.160 68.868 -1.181 0.000 0.865 288 T HN 0.293 nan 8.240 nan 0.000 0.435 289 F N 2.812 122.613 119.950 -0.248 0.000 2.043 289 F HA -0.127 4.401 4.527 0.001 0.000 0.297 289 F C 2.506 178.327 175.800 0.034 0.000 1.118 289 F CA 2.134 60.126 58.000 -0.013 0.000 1.202 289 F CB -0.427 38.556 39.000 -0.029 0.000 0.965 289 F HN 0.117 nan 8.300 nan 0.000 0.482 290 K N -0.843 119.519 120.400 -0.063 0.000 2.009 290 K HA -0.248 4.073 4.320 0.001 0.000 0.210 290 K C 2.228 178.747 176.600 -0.135 0.000 1.049 290 K CA 2.271 58.451 56.287 -0.179 0.000 0.929 290 K CB -0.694 31.632 32.500 -0.289 0.000 0.714 290 K HN 0.495 nan 8.250 nan 0.000 0.440 291 Y N -0.314 120.037 120.300 0.086 0.000 2.314 291 Y HA -0.106 4.444 4.550 0.001 0.000 0.294 291 Y C 2.227 178.149 175.900 0.036 0.000 1.119 291 Y CA 0.204 58.390 58.100 0.142 0.000 1.179 291 Y CB 0.336 39.004 38.460 0.347 0.000 1.025 291 Y HN -0.121 nan 8.280 nan 0.000 0.541 292 V N -0.882 119.054 119.914 0.037 0.000 2.453 292 V HA -0.249 3.872 4.120 0.001 0.000 0.247 292 V C 1.325 177.194 176.094 -0.374 0.000 1.048 292 V CA 1.648 63.810 62.300 -0.231 0.000 1.049 292 V CB -0.543 31.024 31.823 -0.426 0.000 0.672 292 V HN 0.338 nan 8.190 nan 0.000 0.457 293 F N -0.499 119.367 119.950 -0.139 0.000 2.765 293 F HA 0.212 4.740 4.527 0.001 0.000 0.302 293 F C 1.133 176.903 175.800 -0.050 0.000 1.111 293 F CA 0.362 58.272 58.000 -0.149 0.000 1.359 293 F CB -0.044 38.758 39.000 -0.330 0.000 1.097 293 F HN 0.170 nan 8.300 nan 0.000 0.577 294 D N 0.250 120.726 120.400 0.128 0.000 2.708 294 D HA -0.324 4.317 4.640 0.001 0.000 0.236 294 D C -0.229 176.212 176.300 0.235 0.000 1.146 294 D CA 0.316 54.435 54.000 0.199 0.000 0.662 294 D CB -1.554 39.380 40.800 0.224 0.000 1.059 294 D HN 0.415 nan 8.370 nan 0.000 0.428 295 Y N 0.877 121.171 120.300 -0.010 0.000 2.650 295 Y HA 0.256 4.806 4.550 0.001 0.000 0.331 295 Y C 0.449 176.378 175.900 0.048 0.000 1.165 295 Y CA 0.329 58.440 58.100 0.018 0.000 1.473 295 Y CB 0.332 38.719 38.460 -0.122 0.000 1.224 295 Y HN 0.146 nan 8.280 nan 0.000 0.533 296 H N 6.632 125.452 119.070 -0.417 0.000 2.492 296 H HA 0.365 4.921 4.556 0.001 0.000 0.345 296 H C -2.336 172.753 175.328 -0.398 0.000 1.136 296 H CA -2.327 53.583 56.048 -0.230 0.000 1.202 296 H CB 1.017 30.692 29.762 -0.146 0.000 1.524 296 H HN 0.497 nan 8.280 nan 0.000 0.506 297 P HA 0.001 nan 4.420 nan 0.000 0.264 297 P C 0.917 178.247 177.300 0.050 0.000 1.183 297 P CA 1.568 64.754 63.100 0.143 0.000 0.763 297 P CB 0.531 32.312 31.700 0.135 0.000 0.807 298 G N 1.855 110.724 108.800 0.115 0.000 2.225 298 G HA2 -0.206 3.755 3.960 0.001 0.000 0.254 298 G HA3 -0.206 3.755 3.960 0.001 0.000 0.254 298 G C -0.050 174.872 174.900 0.037 0.000 0.988 298 G CA -0.233 44.918 45.100 0.085 0.000 0.625 298 G HN 0.512 nan 8.290 nan 0.000 0.527 299 D N 1.288 121.595 120.400 -0.156 0.000 2.455 299 D HA 0.358 4.998 4.640 0.001 0.000 0.241 299 D C 0.957 177.371 176.300 0.191 0.000 1.138 299 D CA 0.080 53.997 54.000 -0.139 0.000 0.877 299 D CB 0.630 41.129 40.800 -0.501 0.000 1.187 299 D HN 0.160 nan 8.370 nan 0.000 0.451 300 I N 3.011 123.698 120.570 0.195 0.000 2.312 300 I HA 0.100 4.270 4.170 0.001 0.000 0.291 300 I C -0.132 176.191 176.117 0.343 0.000 1.031 300 I CA -0.598 60.856 61.300 0.257 0.000 1.293 300 I CB -0.343 37.751 38.000 0.156 0.000 1.403 300 I HN 0.296 nan 8.210 nan 0.000 0.484 301 Y N 7.323 127.798 120.300 0.291 0.000 2.352 301 Y HA 0.475 5.026 4.550 0.001 0.000 0.339 301 Y C -1.325 174.758 175.900 0.307 0.000 0.992 301 Y CA -0.761 57.514 58.100 0.292 0.000 1.100 301 Y CB 1.408 40.106 38.460 0.397 0.000 1.192 301 Y HN 0.602 nan 8.280 nan 0.000 0.458 302 W N 8.636 129.583 121.300 -0.588 0.000 2.499 302 W HA 0.509 5.170 4.660 0.001 0.000 0.320 302 W C -1.672 174.481 176.519 -0.610 0.000 1.010 302 W CA -1.810 55.246 57.345 -0.481 0.000 1.267 302 W CB 0.846 30.187 29.460 -0.199 0.000 1.316 302 W HN 0.834 nan 8.180 nan 0.000 0.431 303 C N 6.672 125.780 119.300 -0.320 0.000 2.307 303 C HA 0.471 4.931 4.460 0.001 0.000 0.340 303 C C 1.694 176.618 174.990 -0.111 0.000 1.275 303 C CA 0.388 59.325 59.018 -0.134 0.000 1.811 303 C CB 0.003 27.922 27.740 0.298 0.000 2.372 303 C HN 0.770 nan 8.230 nan 0.000 0.531 304 T N 2.837 117.189 114.554 -0.337 0.000 3.100 304 T HA 0.246 4.596 4.350 0.001 0.000 0.253 304 T C 0.786 175.518 174.700 0.053 0.000 1.118 304 T CA 0.561 62.541 62.100 -0.200 0.000 1.058 304 T CB -0.171 68.456 68.868 -0.402 0.000 0.953 304 T HN 1.105 nan 8.240 nan 0.000 0.515 305 A N 1.759 124.622 122.820 0.072 0.000 2.462 305 A HA 0.261 4.581 4.320 0.001 0.000 0.243 305 A C 0.418 178.141 177.584 0.231 0.000 1.076 305 A CA -0.451 51.684 52.037 0.163 0.000 0.773 305 A CB -0.083 19.040 19.000 0.204 0.000 1.010 305 A HN 0.510 nan 8.150 nan 0.000 0.493 306 D N 1.432 122.000 120.400 0.280 0.000 2.399 306 D HA -0.005 4.636 4.640 0.001 0.000 0.241 306 D C 1.246 177.640 176.300 0.156 0.000 1.133 306 D CA 0.084 54.213 54.000 0.216 0.000 0.890 306 D CB 1.270 42.222 40.800 0.254 0.000 1.201 306 D HN 0.252 nan 8.370 nan 0.000 0.432 307 V N 4.086 124.045 119.914 0.076 0.000 2.720 307 V HA -0.115 4.006 4.120 0.001 0.000 0.256 307 V C 1.964 178.087 176.094 0.049 0.000 1.082 307 V CA 2.309 64.627 62.300 0.030 0.000 1.101 307 V CB -0.276 31.498 31.823 -0.082 0.000 0.693 307 V HN 0.736 nan 8.190 nan 0.000 0.479 308 G N -1.253 107.498 108.800 -0.083 0.000 2.679 308 G HA2 -0.077 3.883 3.960 0.001 0.000 0.212 308 G HA3 -0.077 3.883 3.960 0.001 0.000 0.212 308 G C 0.238 174.893 174.900 -0.409 0.000 1.137 308 G CA -0.176 44.772 45.100 -0.253 0.000 0.787 308 G HN 0.620 nan 8.290 nan 0.000 0.534 309 W N -2.422 118.967 121.300 0.148 0.000 2.736 309 W HA 0.499 5.159 4.660 0.001 0.000 0.355 309 W C 1.007 177.533 176.519 0.012 0.000 1.102 309 W CA -1.232 56.133 57.345 0.034 0.000 1.164 309 W CB 1.375 30.830 29.460 -0.009 0.000 1.422 309 W HN -0.260 nan 8.180 nan 0.000 0.572 310 V N 1.104 121.156 119.914 0.230 0.000 2.469 310 V HA -0.263 3.857 4.120 0.001 0.000 0.251 310 V C 1.619 178.010 176.094 0.495 0.000 1.064 310 V CA 2.849 65.264 62.300 0.192 0.000 1.066 310 V CB -0.568 31.388 31.823 0.222 0.000 0.667 310 V HN 0.824 nan 8.190 nan 0.000 0.461 311 T N -0.016 114.836 114.554 0.497 0.000 2.788 311 T HA -0.079 4.272 4.350 0.001 0.000 0.268 311 T C 1.726 176.797 174.700 0.617 0.000 1.044 311 T CA 1.367 63.930 62.100 0.772 0.000 1.139 311 T CB -0.677 68.528 68.868 0.562 0.000 0.867 311 T HN 0.654 nan 8.240 nan 0.000 0.454 312 G N 0.618 109.684 108.800 0.444 0.000 2.408 312 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 312 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 312 G C 1.274 176.314 174.900 0.233 0.000 1.150 312 G CA 0.659 45.952 45.100 0.322 0.000 0.776 312 G HN 0.473 nan 8.290 nan 0.000 0.542 313 H N 0.794 119.896 119.070 0.053 0.000 2.276 313 H HA 0.056 4.612 4.556 0.001 0.000 0.301 313 H C 2.993 178.321 175.328 0.000 0.000 1.073 313 H CA 1.650 57.633 56.048 -0.108 0.000 1.311 313 H CB -0.306 29.363 29.762 -0.155 0.000 1.379 313 H HN 0.294 nan 8.280 nan 0.000 0.494 314 S N -0.856 115.010 115.700 0.276 0.000 2.395 314 S HA -0.035 4.436 4.470 0.001 0.000 0.225 314 S C 0.967 175.245 174.600 -0.537 0.000 1.027 314 S CA 0.919 59.016 58.200 -0.171 0.000 0.965 314 S CB 0.068 62.955 63.200 -0.522 0.000 0.812 314 S HN 0.461 nan 8.310 nan 0.000 0.482 315 Y N -0.657 119.823 120.300 0.301 0.000 2.527 315 Y HA 0.431 4.982 4.550 0.001 0.000 0.247 315 Y C 1.390 177.563 175.900 0.455 0.000 1.138 315 Y CA -0.410 57.919 58.100 0.381 0.000 1.228 315 Y CB 0.312 39.179 38.460 0.679 0.000 1.252 315 Y HN 0.111 nan 8.280 nan 0.000 0.531 316 L N -0.989 120.470 121.223 0.393 0.000 2.253 316 L HA 0.133 4.474 4.340 0.001 0.000 0.205 316 L C 1.201 178.126 176.870 0.093 0.000 1.078 316 L CA 1.356 56.370 54.840 0.291 0.000 0.805 316 L CB 0.054 42.236 42.059 0.205 0.000 0.963 316 L HN 0.189 nan 8.230 nan 0.000 0.459 317 L N -3.047 118.135 121.223 -0.068 0.000 3.087 317 L HA 0.148 4.488 4.340 0.001 0.000 0.169 317 L C 1.961 178.727 176.870 -0.173 0.000 1.276 317 L CA 0.567 55.272 54.840 -0.225 0.000 0.865 317 L CB -0.699 41.041 42.059 -0.533 0.000 1.368 317 L HN -0.015 nan 8.230 nan 0.000 0.548 318 Y N 0.326 120.587 120.300 -0.066 0.000 2.114 318 Y HA -0.077 4.474 4.550 0.001 0.000 0.284 318 Y C 2.384 178.155 175.900 -0.215 0.000 1.143 318 Y CA 1.226 59.287 58.100 -0.065 0.000 1.135 318 Y CB -1.532 36.992 38.460 0.106 0.000 0.980 318 Y HN 0.260 nan 8.280 nan 0.000 0.499 319 G N 0.256 108.933 108.800 -0.204 0.000 2.480 319 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 319 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 319 G C -0.561 173.892 174.900 -0.746 0.000 1.200 319 G CA 1.111 45.973 45.100 -0.396 0.000 0.782 319 G HN 0.293 nan 8.290 nan 0.000 0.554 320 P HA -0.062 nan 4.420 nan 0.000 0.215 320 P C 2.108 179.042 177.300 -0.610 0.000 1.157 320 P CA 0.874 63.139 63.100 -1.391 0.000 0.868 320 P CB -0.170 31.002 31.700 -0.880 0.000 0.788 321 L N -1.197 119.857 121.223 -0.282 0.000 2.093 321 L HA -0.129 4.211 4.340 0.001 0.000 0.208 321 L C 2.518 179.419 176.870 0.052 0.000 1.085 321 L CA 1.431 56.256 54.840 -0.025 0.000 0.755 321 L CB -1.296 40.807 42.059 0.074 0.000 0.904 321 L HN -0.054 nan 8.230 nan 0.000 0.435 322 A N -0.677 122.144 122.820 0.002 0.000 1.940 322 A HA -0.239 4.081 4.320 0.001 0.000 0.219 322 A C 2.171 179.796 177.584 0.069 0.000 1.176 322 A CA 1.949 54.025 52.037 0.064 0.000 0.631 322 A CB -1.048 17.934 19.000 -0.031 0.000 0.814 322 A HN 0.581 nan 8.150 nan 0.000 0.446 323 C N -1.095 118.138 119.300 -0.112 0.000 2.626 323 C HA 0.447 4.907 4.460 0.001 0.000 0.266 323 C C 1.875 176.753 174.990 -0.187 0.000 1.317 323 C CA 0.011 58.974 59.018 -0.092 0.000 1.716 323 C CB -1.295 26.401 27.740 -0.074 0.000 1.819 323 C HN 1.100 nan 8.230 nan 0.000 0.578 324 G N 1.045 109.580 108.800 -0.443 0.000 2.198 324 G HA2 -0.064 3.896 3.960 0.001 0.000 0.260 324 G HA3 -0.064 3.896 3.960 0.001 0.000 0.260 324 G C 0.194 174.956 174.900 -0.229 0.000 1.025 324 G CA 0.334 44.959 45.100 -0.792 0.000 0.769 324 G HN 0.895 nan 8.290 nan 0.000 0.507 325 A N -0.733 121.956 122.820 -0.219 0.000 2.296 325 A HA 0.764 5.084 4.320 0.001 0.000 0.264 325 A C 0.756 178.404 177.584 0.106 0.000 1.097 325 A CA 0.792 52.709 52.037 -0.201 0.000 0.811 325 A CB 0.550 19.070 19.000 -0.800 0.000 1.072 325 A HN 0.777 nan 8.150 nan 0.000 0.495 326 T N 1.360 116.058 114.554 0.241 0.000 2.753 326 T HA 0.457 4.808 4.350 0.001 0.000 0.297 326 T C -0.051 174.773 174.700 0.206 0.000 0.981 326 T CA 0.116 62.327 62.100 0.186 0.000 0.956 326 T CB 0.524 69.516 68.868 0.207 0.000 0.936 326 T HN 0.689 nan 8.240 nan 0.000 0.463 327 T N 3.953 118.576 114.554 0.115 0.000 2.824 327 T HA 0.618 4.968 4.350 0.001 0.000 0.280 327 T C -0.447 174.298 174.700 0.075 0.000 0.995 327 T CA -0.727 61.498 62.100 0.209 0.000 1.009 327 T CB 0.523 69.506 68.868 0.193 0.000 0.955 327 T HN 0.464 nan 8.240 nan 0.000 0.452 328 L N 5.899 127.167 121.223 0.075 0.000 2.289 328 L HA 0.637 4.977 4.340 0.001 0.000 0.285 328 L C -0.223 176.653 176.870 0.010 0.000 1.049 328 L CA -0.670 54.099 54.840 -0.118 0.000 0.804 328 L CB 1.097 42.913 42.059 -0.405 0.000 1.195 328 L HN 0.700 nan 8.230 nan 0.000 0.428 329 M N 5.629 125.224 119.600 -0.007 0.000 2.114 329 M HA 0.337 4.817 4.480 0.001 0.000 0.332 329 M C -1.754 174.616 176.300 0.116 0.000 1.014 329 M CA -0.626 54.764 55.300 0.150 0.000 0.956 329 M CB 1.145 33.865 32.600 0.201 0.000 1.551 329 M HN 0.551 nan 8.290 nan 0.000 0.427 330 F N 4.219 124.179 119.950 0.015 0.000 2.415 330 F HA 0.317 4.844 4.527 0.001 0.000 0.348 330 F C 0.918 176.731 175.800 0.022 0.000 1.119 330 F CA -0.601 57.347 58.000 -0.087 0.000 1.069 330 F CB 1.213 40.285 39.000 0.119 0.000 1.124 330 F HN 0.792 nan 8.300 nan 0.000 0.472 331 E N 3.167 123.087 120.200 -0.468 0.000 2.208 331 E HA 0.091 4.442 4.350 0.001 0.000 0.193 331 E C 0.957 177.181 176.600 -0.626 0.000 0.988 331 E CA 0.741 56.933 56.400 -0.346 0.000 0.828 331 E CB 0.068 29.687 29.700 -0.136 0.000 0.763 331 E HN 0.895 nan 8.360 nan 0.000 0.478 332 G N 0.261 108.197 108.800 -1.439 0.000 2.849 332 G HA2 0.436 4.396 3.960 0.001 0.000 0.174 332 G HA3 0.436 4.396 3.960 0.001 0.000 0.174 332 G C -0.394 174.155 174.900 -0.585 0.000 1.370 332 G CA 0.085 44.624 45.100 -0.934 0.000 1.040 332 G HN 0.161 nan 8.290 nan 0.000 0.582 333 V N -2.654 117.254 119.914 -0.010 0.000 2.864 333 V HA 0.596 4.716 4.120 0.001 0.000 0.314 333 V C -1.825 174.597 176.094 0.547 0.000 1.073 333 V CA -1.907 60.561 62.300 0.280 0.000 0.956 333 V CB 2.138 34.063 31.823 0.170 0.000 1.023 333 V HN 0.479 nan 8.190 nan 0.000 0.435 334 P HA -0.120 nan 4.420 nan 0.000 0.226 334 P C 0.460 177.903 177.300 0.238 0.000 1.146 334 P CA 1.772 65.058 63.100 0.310 0.000 0.773 334 P CB -0.236 31.560 31.700 0.159 0.000 0.772 335 N N -3.716 115.135 118.700 0.251 0.000 2.377 335 N HA 0.138 4.878 4.740 0.001 0.000 0.259 335 N C -0.913 174.747 175.510 0.250 0.000 1.332 335 N CA -0.776 52.392 53.050 0.195 0.000 0.877 335 N CB 0.002 38.574 38.487 0.141 0.000 1.299 335 N HN -0.006 nan 8.380 nan 0.000 0.501 336 W N 1.941 123.314 121.300 0.122 0.000 2.839 336 W HA 0.474 5.134 4.660 0.000 0.000 0.334 336 W C -2.457 174.127 176.519 0.108 0.000 1.064 336 W CA -1.747 55.654 57.345 0.094 0.000 1.236 336 W CB 2.136 31.640 29.460 0.073 0.000 1.405 336 W HN -0.153 nan 8.180 nan 0.000 0.478 337 P HA -0.027 nan 4.420 nan 0.000 0.223 337 P C 0.129 177.101 177.300 -0.547 0.000 1.151 337 P CA 1.440 63.708 63.100 -1.386 0.000 0.787 337 P CB 0.301 31.290 31.700 -1.185 0.000 0.788 338 T N -7.021 107.390 114.554 -0.238 0.000 2.883 338 T HA 0.431 4.782 4.350 0.001 0.000 0.296 338 T C -2.558 172.141 174.700 -0.002 0.000 1.117 338 T CA -2.340 59.701 62.100 -0.098 0.000 1.006 338 T CB 1.774 70.585 68.868 -0.095 0.000 1.191 338 T HN -0.365 nan 8.240 nan 0.000 0.508 339 P HA 0.053 nan 4.420 nan 0.000 0.223 339 P C 1.193 178.535 177.300 0.070 0.000 1.144 339 P CA 1.010 64.147 63.100 0.061 0.000 0.783 339 P CB -0.203 31.532 31.700 0.058 0.000 0.771 340 A N -0.968 121.876 122.820 0.040 0.000 2.238 340 A HA -0.012 4.309 4.320 0.001 0.000 0.208 340 A C 2.211 179.810 177.584 0.026 0.000 1.177 340 A CA 0.425 52.483 52.037 0.035 0.000 0.804 340 A CB -0.818 18.187 19.000 0.008 0.000 0.823 340 A HN -0.056 nan 8.150 nan 0.000 0.482 341 R N 0.150 120.671 120.500 0.035 0.000 2.096 341 R HA -0.163 4.178 4.340 0.001 0.000 0.240 341 R C 2.000 178.310 176.300 0.017 0.000 1.139 341 R CA 2.403 58.520 56.100 0.028 0.000 0.952 341 R CB -0.639 29.724 30.300 0.105 0.000 0.854 341 R HN 0.563 nan 8.270 nan 0.000 0.436 342 M N -0.731 118.922 119.600 0.088 0.000 2.082 342 M HA -0.250 4.230 4.480 0.001 0.000 0.258 342 M C 1.885 178.277 176.300 0.154 0.000 1.069 342 M CA 2.199 57.593 55.300 0.156 0.000 1.102 342 M CB -0.217 32.455 32.600 0.120 0.000 1.336 342 M HN 0.364 nan 8.290 nan 0.000 0.404 343 C N 0.363 119.714 119.300 0.084 0.000 2.446 343 C HA -0.081 4.380 4.460 0.001 0.000 0.279 343 C C 2.471 177.459 174.990 -0.003 0.000 1.366 343 C CA 0.616 59.663 59.018 0.049 0.000 1.763 343 C CB -1.236 26.517 27.740 0.023 0.000 1.929 343 C HN 0.627 nan 8.230 nan 0.000 0.509 344 Q N 0.315 120.096 119.800 -0.031 0.000 2.124 344 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 344 Q C 2.331 178.244 176.000 -0.145 0.000 0.977 344 Q CA 1.435 57.187 55.803 -0.084 0.000 0.850 344 Q CB -0.183 28.503 28.738 -0.087 0.000 0.901 344 Q HN 0.587 nan 8.270 nan 0.000 0.429 345 V N 0.155 119.959 119.914 -0.183 0.000 2.295 345 V HA -0.238 3.883 4.120 0.001 0.000 0.246 345 V C 2.250 178.217 176.094 -0.211 0.000 1.049 345 V CA 1.390 63.492 62.300 -0.330 0.000 1.024 345 V CB -0.577 30.807 31.823 -0.732 0.000 0.648 345 V HN 0.185 nan 8.190 nan 0.000 0.447 346 V N 0.474 120.373 119.914 -0.025 0.000 2.252 346 V HA -0.329 3.792 4.120 0.001 0.000 0.249 346 V C 2.331 178.410 176.094 -0.025 0.000 1.056 346 V CA 2.490 64.821 62.300 0.051 0.000 1.022 346 V CB -0.725 31.162 31.823 0.106 0.000 0.641 346 V HN 0.569 nan 8.190 nan 0.000 0.445 347 D N -0.544 119.819 120.400 -0.062 0.000 2.097 347 D HA -0.153 4.487 4.640 0.001 0.000 0.197 347 D C 2.160 178.382 176.300 -0.129 0.000 0.984 347 D CA 1.399 55.351 54.000 -0.080 0.000 0.826 347 D CB -0.267 40.485 40.800 -0.080 0.000 0.973 347 D HN 0.430 nan 8.370 nan 0.000 0.460 348 K N 0.011 120.279 120.400 -0.220 0.000 2.032 348 K HA -0.160 4.160 4.320 0.001 0.000 0.209 348 K C 1.320 177.667 176.600 -0.423 0.000 1.048 348 K CA 1.244 57.306 56.287 -0.375 0.000 0.927 348 K CB 0.060 32.221 32.500 -0.566 0.000 0.712 348 K HN 0.242 nan 8.250 nan 0.000 0.441 349 H N 0.247 119.253 119.070 -0.107 0.000 2.549 349 H HA 0.134 4.690 4.556 0.001 0.000 0.279 349 H C -0.117 175.190 175.328 -0.035 0.000 1.018 349 H CA 0.117 56.119 56.048 -0.076 0.000 1.175 349 H CB 0.754 30.413 29.762 -0.172 0.000 1.485 349 H HN 0.263 nan 8.280 nan 0.000 0.543 350 Q N 0.397 120.214 119.800 0.029 0.000 2.452 350 Q HA -0.138 4.202 4.340 0.001 0.000 0.318 350 Q C -0.181 175.854 176.000 0.058 0.000 1.386 350 Q CA 0.216 56.037 55.803 0.030 0.000 0.872 350 Q CB -2.145 26.611 28.738 0.031 0.000 1.151 350 Q HN 0.192 nan 8.270 nan 0.000 0.417 351 V N 0.908 120.864 119.914 0.069 0.000 2.599 351 V HA -0.091 4.029 4.120 0.001 0.000 0.300 351 V C 1.570 177.715 176.094 0.084 0.000 1.034 351 V CA 1.124 63.489 62.300 0.107 0.000 1.115 351 V CB 0.730 32.658 31.823 0.176 0.000 0.934 351 V HN 0.492 nan 8.190 nan 0.000 0.485 352 N N 3.241 122.000 118.700 0.099 0.000 2.414 352 N HA 0.340 5.080 4.740 0.001 0.000 0.177 352 N C -0.264 175.295 175.510 0.083 0.000 1.062 352 N CA 0.108 53.199 53.050 0.067 0.000 0.890 352 N CB 0.499 39.016 38.487 0.050 0.000 1.070 352 N HN 0.585 nan 8.380 nan 0.000 0.454 353 I N 1.334 121.985 120.570 0.135 0.000 2.478 353 I HA 0.305 4.476 4.170 0.001 0.000 0.287 353 I C -1.593 174.550 176.117 0.043 0.000 1.042 353 I CA -0.860 60.520 61.300 0.133 0.000 1.067 353 I CB 2.317 40.475 38.000 0.263 0.000 1.233 353 I HN -0.105 nan 8.210 nan 0.000 0.431 354 L N 7.661 128.902 121.223 0.030 0.000 2.356 354 L HA 0.545 4.886 4.340 0.001 0.000 0.277 354 L C -1.777 175.138 176.870 0.076 0.000 0.996 354 L CA -0.466 54.361 54.840 -0.021 0.000 0.822 354 L CB 1.288 43.349 42.059 0.003 0.000 1.256 354 L HN 0.473 nan 8.230 nan 0.000 0.413 355 Y N 4.480 124.647 120.300 -0.221 0.000 2.363 355 Y HA 0.690 5.241 4.550 0.001 0.000 0.325 355 Y C -0.448 175.381 175.900 -0.118 0.000 0.984 355 Y CA -0.343 57.727 58.100 -0.049 0.000 1.248 355 Y CB 1.378 39.826 38.460 -0.020 0.000 1.116 355 Y HN 0.790 nan 8.280 nan 0.000 0.470 356 T N 3.230 117.667 114.554 -0.195 0.000 2.626 356 T HA 0.920 5.270 4.350 0.001 0.000 0.279 356 T C -1.503 173.010 174.700 -0.311 0.000 0.983 356 T CA -0.152 61.756 62.100 -0.321 0.000 1.059 356 T CB 1.071 69.757 68.868 -0.304 0.000 1.396 356 T HN 0.737 nan 8.240 nan 0.000 0.519 357 A N 1.012 123.667 122.820 -0.276 0.000 2.374 357 A HA 0.736 5.056 4.320 0.001 0.000 0.317 357 A C -2.239 175.208 177.584 -0.228 0.000 1.094 357 A CA -1.634 50.263 52.037 -0.235 0.000 0.765 357 A CB 1.234 20.104 19.000 -0.216 0.000 1.268 357 A HN 0.576 nan 8.150 nan 0.000 0.438 358 P HA -0.128 nan 4.420 nan 0.000 0.218 358 P C 1.477 178.693 177.300 -0.139 0.000 1.148 358 P CA 1.939 64.948 63.100 -0.151 0.000 0.822 358 P CB 0.133 31.788 31.700 -0.075 0.000 0.784 359 T N -0.632 113.838 114.554 -0.140 0.000 2.720 359 T HA -0.190 4.161 4.350 0.001 0.000 0.268 359 T C 1.876 176.506 174.700 -0.115 0.000 1.037 359 T CA 1.780 63.806 62.100 -0.123 0.000 1.144 359 T CB -0.922 67.857 68.868 -0.149 0.000 0.864 359 T HN 0.079 nan 8.240 nan 0.000 0.444 360 A N 0.993 123.735 122.820 -0.130 0.000 1.873 360 A HA 0.004 4.325 4.320 0.001 0.000 0.215 360 A C 2.291 179.803 177.584 -0.120 0.000 1.186 360 A CA 1.166 53.140 52.037 -0.105 0.000 0.616 360 A CB -0.762 18.173 19.000 -0.109 0.000 0.823 360 A HN 0.516 nan 8.150 nan 0.000 0.442 361 I N -0.734 119.728 120.570 -0.180 0.000 2.163 361 I HA -0.307 3.863 4.170 0.001 0.000 0.243 361 I C 2.786 178.766 176.117 -0.230 0.000 1.085 361 I CA 1.567 62.756 61.300 -0.184 0.000 1.347 361 I CB -0.359 37.465 38.000 -0.293 0.000 1.044 361 I HN 0.289 nan 8.210 nan 0.000 0.408 362 R N 0.617 121.002 120.500 -0.192 0.000 2.096 362 R HA -0.144 4.197 4.340 0.001 0.000 0.235 362 R C 2.440 178.613 176.300 -0.211 0.000 1.127 362 R CA 1.495 57.474 56.100 -0.203 0.000 0.968 362 R CB -0.480 29.748 30.300 -0.120 0.000 0.861 362 R HN 0.395 nan 8.270 nan 0.000 0.440 363 A N 1.163 123.896 122.820 -0.144 0.000 1.898 363 A HA -0.097 4.224 4.320 0.001 0.000 0.216 363 A C 2.164 179.676 177.584 -0.120 0.000 1.181 363 A CA 1.058 53.035 52.037 -0.099 0.000 0.620 363 A CB -0.416 18.558 19.000 -0.042 0.000 0.819 363 A HN 0.158 nan 8.150 nan 0.000 0.442 364 L N -1.469 119.668 121.223 -0.143 0.000 2.072 364 L HA -0.121 4.219 4.340 0.001 0.000 0.205 364 L C 2.784 179.426 176.870 -0.380 0.000 1.079 364 L CA 1.572 56.346 54.840 -0.110 0.000 0.752 364 L CB -0.502 41.603 42.059 0.076 0.000 0.906 364 L HN 0.511 nan 8.230 nan 0.000 0.436 365 M N 0.147 119.216 119.600 -0.885 0.000 2.149 365 M HA -0.206 4.275 4.480 0.001 0.000 0.261 365 M C 2.311 178.255 176.300 -0.593 0.000 1.064 365 M CA 1.926 56.395 55.300 -1.385 0.000 1.102 365 M CB -0.111 31.666 32.600 -1.371 0.000 1.369 365 M HN 0.272 nan 8.290 nan 0.000 0.408 366 A N -0.011 122.602 122.820 -0.345 0.000 2.076 366 A HA -0.142 4.178 4.320 0.001 0.000 0.220 366 A C 1.703 179.225 177.584 -0.103 0.000 1.160 366 A CA 1.583 53.512 52.037 -0.179 0.000 0.653 366 A CB -0.493 18.435 19.000 -0.120 0.000 0.801 366 A HN 0.587 nan 8.150 nan 0.000 0.455 367 E N -0.859 119.290 120.200 -0.086 0.000 2.474 367 E HA 0.265 4.615 4.350 0.001 0.000 0.194 367 E C 1.456 178.089 176.600 0.056 0.000 1.041 367 E CA 0.588 56.987 56.400 -0.003 0.000 0.874 367 E CB -0.456 29.258 29.700 0.023 0.000 0.914 367 E HN 0.623 nan 8.360 nan 0.000 0.498 368 G N 2.490 111.332 108.800 0.070 0.000 2.574 368 G HA2 -0.366 3.595 3.960 0.001 0.000 0.286 368 G HA3 -0.366 3.595 3.960 0.001 0.000 0.286 368 G C 0.530 175.627 174.900 0.328 0.000 1.212 368 G CA 0.414 45.652 45.100 0.230 0.000 0.979 368 G HN 0.231 nan 8.290 nan 0.000 0.557 369 D N 0.977 121.507 120.400 0.217 0.000 2.350 369 D HA 0.018 4.659 4.640 0.001 0.000 0.216 369 D C 2.377 178.744 176.300 0.111 0.000 0.968 369 D CA 0.865 54.955 54.000 0.149 0.000 0.894 369 D CB -0.015 40.835 40.800 0.084 0.000 0.909 369 D HN 0.344 nan 8.370 nan 0.000 0.520 370 K N 0.517 120.981 120.400 0.107 0.000 2.280 370 K HA 0.006 4.327 4.320 0.001 0.000 0.202 370 K C 1.767 178.421 176.600 0.090 0.000 1.047 370 K CA 0.443 56.774 56.287 0.074 0.000 0.942 370 K CB -0.103 32.431 32.500 0.055 0.000 0.739 370 K HN 0.084 nan 8.250 nan 0.000 0.457 371 A N 1.257 124.172 122.820 0.157 0.000 2.119 371 A HA -0.048 4.273 4.320 0.001 0.000 0.217 371 A C 1.893 179.555 177.584 0.131 0.000 1.153 371 A CA 0.980 53.129 52.037 0.187 0.000 0.692 371 A CB -0.409 18.813 19.000 0.370 0.000 0.799 371 A HN 0.443 nan 8.150 nan 0.000 0.458 372 I N -4.552 116.068 120.570 0.085 0.000 4.439 372 I HA 0.304 4.474 4.170 0.001 0.000 0.331 372 I C 0.451 176.566 176.117 -0.003 0.000 1.345 372 I CA -0.285 61.025 61.300 0.016 0.000 1.193 372 I CB 0.049 38.022 38.000 -0.045 0.000 1.221 372 I HN 0.098 nan 8.210 nan 0.000 0.429 373 E N 2.725 122.932 120.200 0.011 0.000 2.480 373 E HA 0.206 4.557 4.350 0.001 0.000 0.258 373 E C 1.304 177.895 176.600 -0.016 0.000 0.984 373 E CA 1.214 57.612 56.400 -0.003 0.000 0.930 373 E CB 0.212 29.915 29.700 0.006 0.000 0.936 373 E HN 0.601 nan 8.360 nan 0.000 0.466 374 G N 3.238 112.023 108.800 -0.025 0.000 2.176 374 G HA2 -0.296 3.665 3.960 0.001 0.000 0.253 374 G HA3 -0.296 3.665 3.960 0.001 0.000 0.253 374 G C 0.311 175.188 174.900 -0.039 0.000 0.979 374 G CA 0.557 45.638 45.100 -0.032 0.000 0.641 374 G HN 0.801 nan 8.290 nan 0.000 0.530 375 T N -2.786 111.745 114.554 -0.039 0.000 2.945 375 T HA 0.701 5.051 4.350 0.001 0.000 0.286 375 T C 0.431 175.099 174.700 -0.054 0.000 1.025 375 T CA 0.395 62.467 62.100 -0.046 0.000 1.039 375 T CB 2.563 71.408 68.868 -0.038 0.000 1.068 375 T HN -0.003 nan 8.240 nan 0.000 0.497 376 D N -0.064 120.302 120.400 -0.057 0.000 2.566 376 D HA 0.151 4.791 4.640 0.001 0.000 0.253 376 D C 1.083 177.338 176.300 -0.075 0.000 0.992 376 D CA 0.070 54.032 54.000 -0.063 0.000 0.940 376 D CB 0.145 40.910 40.800 -0.058 0.000 1.095 376 D HN 0.719 nan 8.370 nan 0.000 0.480 377 R N -0.993 119.467 120.500 -0.067 0.000 3.994 377 R HA -0.165 4.176 4.340 0.001 0.000 0.403 377 R C 1.249 177.500 176.300 -0.082 0.000 1.126 377 R CA 0.759 56.815 56.100 -0.074 0.000 1.143 377 R CB -2.278 27.962 30.300 -0.101 0.000 1.695 377 R HN 0.047 nan 8.270 nan 0.000 0.555 378 S N -0.146 115.510 115.700 -0.073 0.000 2.474 378 S HA -0.114 4.357 4.470 0.001 0.000 0.235 378 S C 1.747 176.310 174.600 -0.062 0.000 0.997 378 S CA 1.229 59.385 58.200 -0.074 0.000 0.949 378 S CB 0.011 63.172 63.200 -0.064 0.000 0.766 378 S HN 0.656 nan 8.310 nan 0.000 0.517 379 S N 0.935 116.608 115.700 -0.046 0.000 2.481 379 S HA 0.130 4.601 4.470 0.001 0.000 0.231 379 S C 0.587 175.170 174.600 -0.029 0.000 0.996 379 S CA 0.069 58.251 58.200 -0.030 0.000 0.942 379 S CB -0.535 62.659 63.200 -0.010 0.000 0.768 379 S HN 0.351 nan 8.310 nan 0.000 0.520 380 L N 1.639 122.834 121.223 -0.046 0.000 2.416 380 L HA 0.316 4.657 4.340 0.001 0.000 0.272 380 L C 1.702 178.532 176.870 -0.066 0.000 1.161 380 L CA -0.204 54.606 54.840 -0.051 0.000 0.845 380 L CB 0.566 42.573 42.059 -0.086 0.000 1.119 380 L HN 0.197 nan 8.230 nan 0.000 0.464 381 R N 2.679 123.154 120.500 -0.041 0.000 2.350 381 R HA 0.399 4.739 4.340 0.001 0.000 0.199 381 R C -0.345 175.941 176.300 -0.023 0.000 0.876 381 R CA 0.041 56.117 56.100 -0.040 0.000 1.062 381 R CB 1.018 31.300 30.300 -0.031 0.000 1.263 381 R HN 0.403 nan 8.270 nan 0.000 0.641 382 I N 2.025 122.600 120.570 0.009 0.000 2.582 382 I HA 0.378 4.548 4.170 0.001 0.000 0.292 382 I C -0.597 175.541 176.117 0.035 0.000 1.066 382 I CA -0.659 60.671 61.300 0.050 0.000 1.053 382 I CB 2.208 40.298 38.000 0.149 0.000 1.241 382 I HN -0.001 nan 8.210 nan 0.000 0.421 383 L N 3.857 125.077 121.223 -0.005 0.000 2.319 383 L HA 0.943 5.284 4.340 0.001 0.000 0.267 383 L C 0.264 177.243 176.870 0.181 0.000 1.011 383 L CA -0.600 54.230 54.840 -0.017 0.000 0.818 383 L CB 2.377 44.186 42.059 -0.418 0.000 1.316 383 L HN 0.727 nan 8.230 nan 0.000 0.432 384 G N -0.357 108.672 108.800 0.381 0.000 2.696 384 G HA2 0.568 4.528 3.960 0.001 0.000 0.295 384 G HA3 0.568 4.528 3.960 0.001 0.000 0.295 384 G C -1.923 173.287 174.900 0.518 0.000 1.398 384 G CA -0.318 45.092 45.100 0.518 0.000 0.920 384 G HN 0.411 nan 8.290 nan 0.000 0.492 385 S N -0.942 114.994 115.700 0.393 0.000 2.541 385 S HA 0.788 5.259 4.470 0.001 0.000 0.280 385 S C -1.396 173.310 174.600 0.177 0.000 1.112 385 S CA -0.581 57.718 58.200 0.165 0.000 0.925 385 S CB 1.837 65.106 63.200 0.116 0.000 1.067 385 S HN 1.558 nan 8.310 nan 0.000 0.479 386 V N 3.644 123.564 119.914 0.009 0.000 3.048 386 V HA 0.771 4.892 4.120 0.001 0.000 0.303 386 V C 0.583 176.637 176.094 -0.066 0.000 1.214 386 V CA 0.758 63.082 62.300 0.041 0.000 0.984 386 V CB 1.377 33.258 31.823 0.097 0.000 1.054 386 V HN 1.628 nan 8.190 nan 0.000 0.430 387 G N 4.092 112.851 108.800 -0.068 0.000 2.278 387 G HA2 -0.086 3.875 3.960 0.001 0.000 0.210 387 G HA3 -0.086 3.875 3.960 0.001 0.000 0.210 387 G C -0.142 174.697 174.900 -0.101 0.000 1.000 387 G CA 0.431 45.438 45.100 -0.155 0.000 0.635 387 G HN 1.443 nan 8.290 nan 0.000 0.495 388 E N -0.185 119.996 120.200 -0.031 0.000 2.407 388 E HA 0.544 4.895 4.350 0.001 0.000 0.279 388 E C -3.342 173.297 176.600 0.066 0.000 1.012 388 E CA -2.287 54.116 56.400 0.006 0.000 0.800 388 E CB 1.431 31.107 29.700 -0.040 0.000 1.276 388 E HN 0.055 nan 8.360 nan 0.000 0.452 389 P HA 0.108 nan 4.420 nan 0.000 0.266 389 P C -0.788 176.576 177.300 0.106 0.000 1.195 389 P CA 0.017 63.187 63.100 0.117 0.000 0.768 389 P CB 0.465 32.232 31.700 0.113 0.000 0.838 390 I N 2.595 123.252 120.570 0.144 0.000 2.362 390 I HA 0.214 4.385 4.170 0.001 0.000 0.289 390 I C 0.232 176.465 176.117 0.193 0.000 0.994 390 I CA -0.925 60.473 61.300 0.164 0.000 1.158 390 I CB 0.571 38.704 38.000 0.221 0.000 1.315 390 I HN 0.283 nan 8.210 nan 0.000 0.451 391 N N 8.911 127.706 118.700 0.158 0.000 2.412 391 N HA 0.043 4.784 4.740 0.001 0.000 0.254 391 N C -1.908 173.731 175.510 0.215 0.000 1.232 391 N CA -0.820 52.323 53.050 0.155 0.000 0.880 391 N CB 1.489 40.039 38.487 0.105 0.000 1.076 391 N HN 0.391 nan 8.380 nan 0.000 0.458 392 P HA -0.153 nan 4.420 nan 0.000 0.217 392 P C 0.549 178.008 177.300 0.264 0.000 1.151 392 P CA 1.620 64.837 63.100 0.195 0.000 0.849 392 P CB 0.255 32.027 31.700 0.121 0.000 0.787 393 E N -0.870 119.455 120.200 0.209 0.000 2.107 393 E HA -0.079 4.271 4.350 0.001 0.000 0.191 393 E C 2.103 178.875 176.600 0.287 0.000 0.982 393 E CA 0.991 57.523 56.400 0.219 0.000 0.809 393 E CB -0.463 29.322 29.700 0.141 0.000 0.756 393 E HN 0.163 nan 8.360 nan 0.000 0.459 394 A N 0.787 123.756 122.820 0.249 0.000 1.898 394 A HA -0.180 4.140 4.320 0.001 0.000 0.216 394 A C 1.853 179.682 177.584 0.409 0.000 1.181 394 A CA 1.062 53.249 52.037 0.251 0.000 0.620 394 A CB -0.986 18.090 19.000 0.126 0.000 0.819 394 A HN 0.495 nan 8.150 nan 0.000 0.442 395 W N 1.023 122.456 121.300 0.222 0.000 2.335 395 W HA -0.198 4.462 4.660 0.001 0.000 0.311 395 W C 2.115 178.821 176.519 0.312 0.000 1.213 395 W CA 1.937 59.438 57.345 0.260 0.000 1.274 395 W CB 0.118 29.673 29.460 0.158 0.000 1.148 395 W HN 0.330 nan 8.180 nan 0.000 0.498 396 E N -0.742 119.903 120.200 0.742 0.000 2.077 396 E HA -0.268 4.082 4.350 0.001 0.000 0.193 396 E C 1.694 178.584 176.600 0.484 0.000 0.989 396 E CA 1.698 58.465 56.400 0.613 0.000 0.800 396 E CB -1.283 28.690 29.700 0.454 0.000 0.746 396 E HN 0.582 nan 8.360 nan 0.000 0.452 397 W N 0.772 122.235 121.300 0.271 0.000 2.355 397 W HA -0.291 4.370 4.660 0.001 0.000 0.309 397 W C 2.289 178.920 176.519 0.188 0.000 1.206 397 W CA 1.713 59.174 57.345 0.194 0.000 1.284 397 W CB -0.524 29.025 29.460 0.148 0.000 1.145 397 W HN 0.091 nan 8.180 nan 0.000 0.502 398 Y N -0.290 120.222 120.300 0.353 0.000 2.081 398 Y HA -0.310 4.241 4.550 0.001 0.000 0.280 398 Y C 2.198 178.015 175.900 -0.139 0.000 1.163 398 Y CA 2.201 60.360 58.100 0.099 0.000 1.135 398 Y CB -1.652 36.838 38.460 0.051 0.000 0.970 398 Y HN 0.198 nan 8.280 nan 0.000 0.498 399 W N 1.508 122.572 121.300 -0.395 0.000 2.342 399 W HA -0.226 4.435 4.660 0.001 0.000 0.297 399 W C 2.542 178.852 176.519 -0.348 0.000 1.213 399 W CA 2.937 59.953 57.345 -0.548 0.000 1.251 399 W CB -0.310 28.757 29.460 -0.654 0.000 1.136 399 W HN 0.109 nan 8.180 nan 0.000 0.526 400 K N -0.088 120.216 120.400 -0.161 0.000 2.044 400 K HA -0.106 4.214 4.320 0.001 0.000 0.204 400 K C 2.174 178.502 176.600 -0.453 0.000 1.045 400 K CA 1.068 57.163 56.287 -0.320 0.000 0.951 400 K CB -0.220 32.242 32.500 -0.062 0.000 0.738 400 K HN -0.148 nan 8.250 nan 0.000 0.443 401 K N 0.673 120.710 120.400 -0.605 0.000 2.076 401 K HA -0.011 4.309 4.320 0.001 0.000 0.204 401 K C 2.145 178.429 176.600 -0.526 0.000 1.051 401 K CA 0.814 56.676 56.287 -0.709 0.000 0.949 401 K CB -0.033 31.638 32.500 -1.381 0.000 0.726 401 K HN 0.229 nan 8.250 nan 0.000 0.443 402 I N 0.047 120.323 120.570 -0.490 0.000 2.339 402 I HA -0.033 4.137 4.170 0.001 0.000 0.245 402 I C 2.154 178.054 176.117 -0.361 0.000 1.096 402 I CA 1.277 62.386 61.300 -0.318 0.000 1.408 402 I CB -1.491 36.417 38.000 -0.152 0.000 1.092 402 I HN 0.103 nan 8.210 nan 0.000 0.423 403 G N 0.156 108.661 108.800 -0.492 0.000 3.042 403 G HA2 -0.055 3.906 3.960 0.001 0.000 0.212 403 G HA3 -0.055 3.906 3.960 0.001 0.000 0.212 403 G C 0.828 175.424 174.900 -0.505 0.000 1.166 403 G CA -0.140 44.660 45.100 -0.500 0.000 0.767 403 G HN 0.405 nan 8.290 nan 0.000 0.546 404 K N 0.122 120.230 120.400 -0.487 0.000 3.016 404 K HA -0.245 4.076 4.320 0.001 0.000 0.262 404 K C 0.509 176.774 176.600 -0.559 0.000 1.043 404 K CA 0.831 56.859 56.287 -0.431 0.000 0.761 404 K CB -1.440 30.885 32.500 -0.291 0.000 1.230 404 K HN 0.611 nan 8.250 nan 0.000 0.485 405 E N -2.368 117.247 120.200 -0.976 0.000 3.496 405 E HA -0.314 4.036 4.350 0.001 0.000 0.300 405 E C 0.483 176.592 176.600 -0.819 0.000 0.877 405 E CA 1.575 57.086 56.400 -1.482 0.000 1.050 405 E CB -0.716 28.447 29.700 -0.897 0.000 1.532 405 E HN 0.554 nan 8.360 nan 0.000 0.447 406 K N -0.546 119.511 120.400 -0.571 0.000 2.367 406 K HA 0.179 4.499 4.320 0.001 0.000 0.195 406 K C 0.120 176.622 176.600 -0.163 0.000 1.060 406 K CA 0.419 56.551 56.287 -0.258 0.000 1.022 406 K CB 0.914 33.291 32.500 -0.206 0.000 0.894 406 K HN 0.049 nan 8.250 nan 0.000 0.540 407 C N 2.698 121.846 119.300 -0.254 0.000 2.298 407 C HA 0.406 4.866 4.460 0.001 0.000 0.323 407 C C -2.443 172.553 174.990 0.009 0.000 1.284 407 C CA -2.067 56.872 59.018 -0.132 0.000 1.577 407 C CB 0.937 28.547 27.740 -0.217 0.000 2.249 407 C HN 0.162 nan 8.230 nan 0.000 0.497 408 P HA 0.114 nan 4.420 nan 0.000 0.266 408 P C -0.688 176.648 177.300 0.059 0.000 1.195 408 P CA 0.182 63.366 63.100 0.140 0.000 0.768 408 P CB 0.392 32.157 31.700 0.109 0.000 0.838 409 V N 4.370 124.327 119.914 0.071 0.000 2.347 409 V HA 0.165 4.285 4.120 0.001 0.000 0.280 409 V C 0.296 176.469 176.094 0.131 0.000 1.021 409 V CA -0.671 61.626 62.300 -0.004 0.000 0.847 409 V CB 1.509 33.104 31.823 -0.381 0.000 0.990 409 V HN 0.370 nan 8.190 nan 0.000 0.444 410 V N 1.419 121.384 119.914 0.085 0.000 2.339 410 V HA 0.438 4.558 4.120 0.001 0.000 0.261 410 V C -0.003 176.112 176.094 0.035 0.000 1.058 410 V CA -0.425 61.867 62.300 -0.014 0.000 0.897 410 V CB 1.037 32.726 31.823 -0.224 0.000 1.052 410 V HN 0.789 nan 8.190 nan 0.000 0.480 411 D N 5.308 125.759 120.400 0.084 0.000 2.393 411 D HA 0.260 4.901 4.640 0.001 0.000 0.232 411 D C 0.545 176.857 176.300 0.019 0.000 1.192 411 D CA 0.045 54.118 54.000 0.121 0.000 0.882 411 D CB 1.016 41.932 40.800 0.194 0.000 1.038 411 D HN 0.881 nan 8.370 nan 0.000 0.499 412 T N 1.655 116.206 114.554 -0.007 0.000 2.753 412 T HA 0.318 4.669 4.350 0.001 0.000 0.297 412 T C -0.332 174.520 174.700 0.252 0.000 0.981 412 T CA -1.017 61.010 62.100 -0.122 0.000 0.956 412 T CB 0.287 68.702 68.868 -0.756 0.000 0.936 412 T HN 0.380 nan 8.240 nan 0.000 0.463 413 W N 8.083 129.466 121.300 0.138 0.000 2.338 413 W HA 0.632 5.292 4.660 0.001 0.000 0.307 413 W C -1.023 175.758 176.519 0.437 0.000 1.167 413 W CA -0.148 57.327 57.345 0.218 0.000 1.208 413 W CB 0.627 30.143 29.460 0.095 0.000 1.228 413 W HN 0.871 nan 8.180 nan 0.000 0.499 414 W N 4.389 125.118 121.300 -0.953 0.000 2.743 414 W HA 0.527 5.188 4.660 0.001 0.000 0.434 414 W C -1.913 174.176 176.519 -0.718 0.000 1.048 414 W CA -1.076 55.721 57.345 -0.912 0.000 1.170 414 W CB 0.147 29.519 29.460 -0.146 0.000 1.466 414 W HN 0.429 nan 8.180 nan 0.000 0.596 415 Q N -0.452 119.131 119.800 -0.361 0.000 2.590 415 Q HA 0.337 4.678 4.340 0.001 0.000 0.295 415 Q C 0.532 176.501 176.000 -0.052 0.000 0.973 415 Q CA -0.679 54.931 55.803 -0.321 0.000 0.768 415 Q CB 2.711 31.380 28.738 -0.116 0.000 1.479 415 Q HN 0.359 nan 8.270 nan 0.000 0.419 416 T N 0.440 114.981 114.554 -0.022 0.000 2.699 416 T HA -0.198 4.152 4.350 0.001 0.000 0.268 416 T C 0.980 175.921 174.700 0.401 0.000 1.036 416 T CA 2.149 64.371 62.100 0.203 0.000 1.147 416 T CB -0.103 68.873 68.868 0.179 0.000 0.862 416 T HN 0.510 nan 8.240 nan 0.000 0.446 417 E N 0.751 121.110 120.200 0.265 0.000 2.418 417 E HA -0.032 4.318 4.350 0.001 0.000 0.197 417 E C 2.284 179.072 176.600 0.313 0.000 1.026 417 E CA 1.101 57.617 56.400 0.194 0.000 0.862 417 E CB -0.241 29.467 29.700 0.013 0.000 0.799 417 E HN 0.709 nan 8.360 nan 0.000 0.518 418 T N -4.542 110.297 114.554 0.475 0.000 3.022 418 T HA 0.317 4.668 4.350 0.001 0.000 0.250 418 T C 1.774 176.945 174.700 0.785 0.000 1.060 418 T CA 0.432 62.942 62.100 0.684 0.000 1.013 418 T CB 0.451 69.541 68.868 0.371 0.000 0.982 418 T HN 0.214 nan 8.240 nan 0.000 0.508 419 G N 0.699 109.959 108.800 0.767 0.000 2.507 419 G HA2 0.008 3.968 3.960 0.001 0.000 0.240 419 G HA3 0.008 3.968 3.960 0.001 0.000 0.240 419 G C 0.552 175.676 174.900 0.374 0.000 1.119 419 G CA -0.040 45.383 45.100 0.538 0.000 0.664 419 G HN 1.453 nan 8.290 nan 0.000 0.516 420 G N -1.575 107.435 108.800 0.349 0.000 2.619 420 G HA2 0.595 4.555 3.960 0.001 0.000 0.305 420 G HA3 0.595 4.555 3.960 0.001 0.000 0.305 420 G C -0.399 174.387 174.900 -0.191 0.000 1.330 420 G CA -0.638 44.294 45.100 -0.280 0.000 0.789 420 G HN 0.598 nan 8.290 nan 0.000 0.487 421 F N 1.090 120.655 119.950 -0.642 0.000 2.607 421 F HA 0.115 4.642 4.527 0.001 0.000 0.374 421 F C 1.689 177.412 175.800 -0.127 0.000 1.104 421 F CA -0.266 57.392 58.000 -0.570 0.000 1.296 421 F CB 0.695 39.251 39.000 -0.740 0.000 1.085 421 F HN 0.065 nan 8.300 nan 0.000 0.584 422 M N 3.193 122.944 119.600 0.252 0.000 2.879 422 M HA 0.316 4.796 4.480 0.001 0.000 0.241 422 M C 0.101 176.599 176.300 0.329 0.000 1.523 422 M CA 0.796 56.256 55.300 0.266 0.000 1.195 422 M CB 0.451 33.174 32.600 0.204 0.000 1.277 422 M HN 0.341 nan 8.290 nan 0.000 0.557 423 I N 0.336 121.133 120.570 0.378 0.000 2.478 423 I HA 0.452 4.622 4.170 0.001 0.000 0.287 423 I C -0.441 175.744 176.117 0.113 0.000 1.042 423 I CA -0.326 61.099 61.300 0.209 0.000 1.067 423 I CB 2.179 40.253 38.000 0.122 0.000 1.233 423 I HN 0.047 nan 8.210 nan 0.000 0.431 424 T N 6.331 120.873 114.554 -0.019 0.000 3.003 424 T HA 0.409 4.759 4.350 0.001 0.000 0.354 424 T C -2.988 171.595 174.700 -0.195 0.000 1.651 424 T CA -1.009 61.009 62.100 -0.136 0.000 1.103 424 T CB 2.119 70.823 68.868 -0.273 0.000 1.450 424 T HN 0.172 nan 8.240 nan 0.000 0.484 425 P HA 0.541 nan 4.420 nan 0.000 0.274 425 P C -1.104 176.073 177.300 -0.206 0.000 1.246 425 P CA -0.545 62.416 63.100 -0.231 0.000 0.795 425 P CB 0.448 32.064 31.700 -0.140 0.000 1.006 426 L N 3.642 124.740 121.223 -0.208 0.000 2.313 426 L HA 0.394 4.734 4.340 0.001 0.000 0.283 426 L C -1.595 175.235 176.870 -0.065 0.000 1.013 426 L CA -1.877 52.894 54.840 -0.116 0.000 0.816 426 L CB 1.569 43.569 42.059 -0.099 0.000 1.236 426 L HN 0.282 nan 8.230 nan 0.000 0.419 427 P HA -0.091 nan 4.420 nan 0.000 0.218 427 P C 1.073 178.398 177.300 0.043 0.000 1.148 427 P CA 0.987 64.103 63.100 0.027 0.000 0.822 427 P CB 0.368 32.101 31.700 0.054 0.000 0.784 428 G N -1.901 106.928 108.800 0.048 0.000 3.126 428 G HA2 0.291 4.251 3.960 0.001 0.000 0.224 428 G HA3 0.291 4.251 3.960 0.001 0.000 0.224 428 G C 1.123 176.047 174.900 0.040 0.000 1.142 428 G CA 0.632 45.766 45.100 0.057 0.000 0.759 428 G HN 0.321 nan 8.290 nan 0.000 0.550 429 A N -0.122 122.699 122.820 0.001 0.000 2.074 429 A HA 0.600 4.920 4.320 0.001 0.000 0.200 429 A C 0.505 178.035 177.584 -0.090 0.000 1.335 429 A CA 0.191 52.214 52.037 -0.023 0.000 0.922 429 A CB 0.464 19.451 19.000 -0.020 0.000 0.972 429 A HN 0.205 nan 8.150 nan 0.000 0.475 430 I N 1.213 121.707 120.570 -0.126 0.000 2.436 430 I HA 0.247 4.418 4.170 0.001 0.000 0.289 430 I C -0.733 175.374 176.117 -0.017 0.000 1.010 430 I CA -0.485 60.731 61.300 -0.141 0.000 1.098 430 I CB 2.006 39.810 38.000 -0.326 0.000 1.266 430 I HN 0.179 nan 8.210 nan 0.000 0.434 431 E N 5.947 126.183 120.200 0.060 0.000 2.373 431 E HA 0.353 4.703 4.350 0.001 0.000 0.267 431 E C -0.925 175.765 176.600 0.150 0.000 1.032 431 E CA -0.325 56.130 56.400 0.091 0.000 0.889 431 E CB 1.115 30.847 29.700 0.052 0.000 0.984 431 E HN 0.393 nan 8.360 nan 0.000 0.425 432 L N 2.731 124.028 121.223 0.124 0.000 2.343 432 L HA 0.440 4.780 4.340 0.001 0.000 0.275 432 L C 0.054 176.915 176.870 -0.015 0.000 1.056 432 L CA -0.626 54.274 54.840 0.100 0.000 0.804 432 L CB 0.830 42.998 42.059 0.181 0.000 1.203 432 L HN 0.313 nan 8.230 nan 0.000 0.440 433 K N 1.766 122.077 120.400 -0.149 0.000 2.426 433 K HA 0.551 4.871 4.320 0.001 0.000 0.254 433 K C -0.712 175.480 176.600 -0.680 0.000 0.936 433 K CA -0.733 55.384 56.287 -0.284 0.000 0.801 433 K CB 2.231 34.648 32.500 -0.138 0.000 1.139 433 K HN 0.675 nan 8.250 nan 0.000 0.424 434 A N 1.738 124.007 122.820 -0.920 0.000 2.537 434 A HA 0.355 4.676 4.320 0.001 0.000 0.260 434 A C 1.256 178.500 177.584 -0.566 0.000 1.082 434 A CA 1.272 52.462 52.037 -1.412 0.000 0.765 434 A CB -0.966 17.560 19.000 -0.789 0.000 1.019 434 A HN 1.041 nan 8.150 nan 0.000 0.507 435 G N 1.299 109.777 108.800 -0.536 0.000 2.176 435 G HA2 -0.158 3.803 3.960 0.001 0.000 0.232 435 G HA3 -0.158 3.803 3.960 0.001 0.000 0.232 435 G C 0.503 175.216 174.900 -0.313 0.000 0.986 435 G CA 0.491 45.546 45.100 -0.074 0.000 0.643 435 G HN 1.772 nan 8.290 nan 0.000 0.522 436 S N 0.016 115.232 115.700 -0.806 0.000 2.489 436 S HA 0.736 5.206 4.470 0.001 0.000 0.291 436 S C 1.413 175.749 174.600 -0.440 0.000 1.151 436 S CA 0.639 58.208 58.200 -1.050 0.000 1.082 436 S CB 1.446 63.642 63.200 -1.673 0.000 1.019 436 S HN 1.512 nan 8.310 nan 0.000 0.492 437 A N 3.709 126.356 122.820 -0.289 0.000 2.119 437 A HA 0.244 4.564 4.320 0.001 0.000 0.217 437 A C 1.487 178.942 177.584 -0.214 0.000 1.153 437 A CA 1.628 53.590 52.037 -0.125 0.000 0.692 437 A CB -1.417 17.597 19.000 0.022 0.000 0.799 437 A HN 2.000 nan 8.150 nan 0.000 0.458 438 T N -2.684 111.657 114.554 -0.355 0.000 14.157 438 T HA -0.261 4.090 4.350 0.001 0.000 0.419 438 T C 0.196 174.644 174.700 -0.420 0.000 1.441 438 T CA 1.170 62.881 62.100 -0.647 0.000 2.332 438 T CB -1.128 67.254 68.868 -0.810 0.000 2.759 438 T HN 0.738 nan 8.240 nan 0.000 0.255 439 R N 2.616 122.865 120.500 -0.419 0.000 2.732 439 R HA 0.645 4.985 4.340 0.001 0.000 0.278 439 R C -2.532 173.711 176.300 -0.094 0.000 0.976 439 R CA -2.181 53.780 56.100 -0.232 0.000 0.963 439 R CB 1.559 31.640 30.300 -0.365 0.000 1.150 439 R HN 0.577 nan 8.270 nan 0.000 0.478 440 P HA -0.085 nan 4.420 nan 0.000 0.267 440 P C -0.535 176.877 177.300 0.188 0.000 1.200 440 P CA 0.097 63.248 63.100 0.085 0.000 0.772 440 P CB 0.431 32.212 31.700 0.134 0.000 0.855 441 F N 2.693 122.725 119.950 0.136 0.000 2.435 441 F HA 0.238 4.766 4.527 0.001 0.000 0.316 441 F C 0.613 176.620 175.800 0.345 0.000 1.220 441 F CA -0.342 57.723 58.000 0.109 0.000 1.241 441 F CB -0.032 39.043 39.000 0.126 0.000 1.234 441 F HN 0.191 nan 8.300 nan 0.000 0.569 442 F N 2.395 122.035 119.950 -0.516 0.000 2.623 442 F HA 0.198 4.726 4.527 0.001 0.000 0.386 442 F C 1.501 177.488 175.800 0.312 0.000 1.068 442 F CA 0.632 58.452 58.000 -0.300 0.000 1.265 442 F CB -0.348 38.245 39.000 -0.677 0.000 1.026 442 F HN 0.738 nan 8.300 nan 0.000 0.568 443 G N 1.841 110.820 108.800 0.298 0.000 2.179 443 G HA2 -0.274 3.687 3.960 0.001 0.000 0.260 443 G HA3 -0.274 3.687 3.960 0.001 0.000 0.260 443 G C -0.295 174.895 174.900 0.484 0.000 0.977 443 G CA -0.013 45.426 45.100 0.565 0.000 0.641 443 G HN 0.579 nan 8.290 nan 0.000 0.533 444 V N 1.061 121.242 119.914 0.445 0.000 2.370 444 V HA 0.528 4.649 4.120 0.001 0.000 0.279 444 V C 0.232 176.534 176.094 0.347 0.000 1.029 444 V CA -0.229 62.276 62.300 0.342 0.000 0.870 444 V CB 1.570 33.557 31.823 0.273 0.000 0.984 444 V HN 0.388 nan 8.190 nan 0.000 0.451 445 Q N 6.613 126.584 119.800 0.286 0.000 2.508 445 Q HA 0.365 4.706 4.340 0.001 0.000 0.247 445 Q C -2.628 173.505 176.000 0.222 0.000 1.047 445 Q CA -1.649 54.317 55.803 0.272 0.000 0.783 445 Q CB 2.186 31.069 28.738 0.243 0.000 1.172 445 Q HN 0.517 nan 8.270 nan 0.000 0.515 446 P HA 0.510 nan 4.420 nan 0.000 0.282 446 P C -1.186 176.191 177.300 0.128 0.000 1.259 446 P CA -0.407 62.724 63.100 0.052 0.000 0.826 446 P CB 1.552 33.091 31.700 -0.270 0.000 1.064 447 A N 1.699 124.589 122.820 0.117 0.000 2.587 447 A HA 0.736 5.056 4.320 0.001 0.000 0.293 447 A C -1.471 176.171 177.584 0.097 0.000 1.087 447 A CA -0.758 51.361 52.037 0.138 0.000 0.692 447 A CB 1.003 20.070 19.000 0.111 0.000 1.291 447 A HN 0.422 nan 8.150 nan 0.000 0.407 448 L N 1.521 122.799 121.223 0.091 0.000 2.313 448 L HA 0.682 5.023 4.340 0.001 0.000 0.283 448 L C -0.281 176.552 176.870 -0.062 0.000 1.013 448 L CA -1.035 53.823 54.840 0.030 0.000 0.816 448 L CB 1.597 43.704 42.059 0.080 0.000 1.236 448 L HN 0.664 nan 8.230 nan 0.000 0.419 449 V N -1.294 118.503 119.914 -0.196 0.000 2.815 449 V HA 0.614 4.734 4.120 0.001 0.000 0.314 449 V C -0.440 175.504 176.094 -0.250 0.000 1.064 449 V CA -0.871 61.252 62.300 -0.296 0.000 0.952 449 V CB 1.870 33.314 31.823 -0.632 0.000 1.020 449 V HN 0.770 nan 8.190 nan 0.000 0.439 450 D N 2.286 122.606 120.400 -0.134 0.000 2.414 450 D HA 0.119 4.759 4.640 0.001 0.000 0.259 450 D C 0.729 177.001 176.300 -0.047 0.000 1.269 450 D CA -0.285 53.686 54.000 -0.048 0.000 1.028 450 D CB 0.159 40.985 40.800 0.043 0.000 1.093 450 D HN 0.429 nan 8.370 nan 0.000 0.545 451 N N -0.610 118.115 118.700 0.042 0.000 2.453 451 N HA -0.106 4.635 4.740 0.001 0.000 0.183 451 N C 0.543 176.131 175.510 0.130 0.000 1.041 451 N CA 0.690 53.805 53.050 0.109 0.000 0.900 451 N CB -0.107 38.422 38.487 0.070 0.000 0.961 451 N HN 0.476 nan 8.380 nan 0.000 0.443 452 E N -0.854 119.369 120.200 0.037 0.000 2.463 452 E HA 0.261 4.611 4.350 0.001 0.000 0.193 452 E C 1.064 177.540 176.600 -0.207 0.000 1.041 452 E CA 0.118 56.471 56.400 -0.078 0.000 0.879 452 E CB -0.014 29.613 29.700 -0.121 0.000 0.997 452 E HN 0.277 nan 8.360 nan 0.000 0.478 453 G N 0.862 109.602 108.800 -0.100 0.000 2.159 453 G HA2 -0.323 3.638 3.960 0.001 0.000 0.256 453 G HA3 -0.323 3.638 3.960 0.001 0.000 0.256 453 G C -0.329 174.424 174.900 -0.246 0.000 0.977 453 G CA -0.002 44.977 45.100 -0.203 0.000 0.652 453 G HN 0.494 nan 8.290 nan 0.000 0.531 454 H N 1.635 120.671 119.070 -0.056 0.000 2.955 454 H HA 0.387 4.943 4.556 0.001 0.000 0.290 454 H C -2.077 173.208 175.328 -0.072 0.000 1.047 454 H CA -1.277 54.746 56.048 -0.042 0.000 1.484 454 H CB 0.725 30.475 29.762 -0.019 0.000 1.501 454 H HN 0.170 nan 8.280 nan 0.000 0.521 455 P HA -0.057 nan 4.420 nan 0.000 0.265 455 P C -0.540 176.778 177.300 0.030 0.000 1.193 455 P CA 0.043 63.152 63.100 0.016 0.000 0.765 455 P CB 0.670 32.392 31.700 0.037 0.000 0.823 456 Q N 1.215 121.023 119.800 0.015 0.000 2.307 456 Q HA 0.493 4.834 4.340 0.001 0.000 0.262 456 Q C 0.364 176.376 176.000 0.020 0.000 0.961 456 Q CA -0.306 55.505 55.803 0.014 0.000 0.882 456 Q CB 1.298 30.039 28.738 0.005 0.000 1.264 456 Q HN 0.524 nan 8.270 nan 0.000 0.446 457 E N 0.380 120.588 120.200 0.014 0.000 2.227 457 E HA 0.714 5.064 4.350 0.001 0.000 0.268 457 E C 0.552 177.152 176.600 0.000 0.000 0.990 457 E CA -0.352 56.057 56.400 0.015 0.000 0.856 457 E CB 1.067 30.777 29.700 0.017 0.000 1.159 457 E HN 0.812 nan 8.360 nan 0.000 0.401 458 G N -0.523 108.275 108.800 -0.002 0.000 2.598 458 G HA2 0.302 4.263 3.960 0.001 0.000 0.244 458 G HA3 0.302 4.263 3.960 0.001 0.000 0.244 458 G C 0.767 175.646 174.900 -0.035 0.000 1.302 458 G CA 0.186 45.276 45.100 -0.017 0.000 0.903 458 G HN 2.075 nan 8.290 nan 0.000 0.575 459 A N -0.186 122.609 122.820 -0.042 0.000 2.484 459 A HA 0.669 4.990 4.320 0.001 0.000 0.268 459 A C 0.760 178.315 177.584 -0.049 0.000 1.114 459 A CA 2.027 54.031 52.037 -0.055 0.000 0.780 459 A CB 0.113 19.078 19.000 -0.058 0.000 1.061 459 A HN 2.199 nan 8.150 nan 0.000 0.505 460 T N 1.182 115.706 114.554 -0.050 0.000 2.661 460 T HA 0.577 4.928 4.350 0.001 0.000 0.305 460 T C -1.564 173.121 174.700 -0.026 0.000 1.441 460 T CA -0.112 61.967 62.100 -0.034 0.000 0.999 460 T CB 1.079 69.936 68.868 -0.019 0.000 1.650 460 T HN 0.883 nan 8.240 nan 0.000 0.489 461 E N -0.218 119.976 120.200 -0.011 0.000 2.393 461 E HA 0.782 5.132 4.350 0.001 0.000 0.273 461 E C -0.190 176.419 176.600 0.015 0.000 0.918 461 E CA -1.119 55.286 56.400 0.008 0.000 0.773 461 E CB 2.040 31.741 29.700 0.001 0.000 1.275 461 E HN 1.018 nan 8.360 nan 0.000 0.451 462 G N 0.782 109.599 108.800 0.030 0.000 2.335 462 G HA2 0.122 4.083 3.960 0.001 0.000 0.291 462 G HA3 0.122 4.083 3.960 0.001 0.000 0.291 462 G C -1.491 173.433 174.900 0.041 0.000 1.261 462 G CA -1.011 44.099 45.100 0.017 0.000 0.871 462 G HN 0.445 nan 8.290 nan 0.000 0.491 463 N N 0.555 119.258 118.700 0.004 0.000 2.488 463 N HA 0.325 5.065 4.740 0.001 0.000 0.274 463 N C -0.704 174.857 175.510 0.085 0.000 1.111 463 N CA -0.262 52.848 53.050 0.101 0.000 0.974 463 N CB 2.208 40.686 38.487 -0.014 0.000 1.089 463 N HN 0.409 nan 8.380 nan 0.000 0.465 464 L N 4.132 125.479 121.223 0.206 0.000 2.278 464 L HA 0.288 4.629 4.340 0.001 0.000 0.287 464 L C -0.277 176.737 176.870 0.240 0.000 1.072 464 L CA -0.451 54.451 54.840 0.103 0.000 0.819 464 L CB 0.492 42.499 42.059 -0.086 0.000 1.176 464 L HN 0.324 nan 8.230 nan 0.000 0.435 465 V N 3.549 123.569 119.914 0.176 0.000 3.046 465 V HA 0.682 4.802 4.120 0.001 0.000 0.316 465 V C -0.443 175.822 176.094 0.286 0.000 1.104 465 V CA -0.883 61.582 62.300 0.275 0.000 1.006 465 V CB 2.213 34.149 31.823 0.189 0.000 1.058 465 V HN 0.516 nan 8.190 nan 0.000 0.440 466 I N 2.597 123.436 120.570 0.448 0.000 2.406 466 I HA 0.406 4.577 4.170 0.001 0.000 0.290 466 I C 1.161 177.640 176.117 0.602 0.000 0.999 466 I CA 0.048 61.625 61.300 0.462 0.000 1.124 466 I CB 1.537 39.808 38.000 0.451 0.000 1.289 466 I HN 0.998 nan 8.210 nan 0.000 0.441 467 T N -0.305 114.538 114.554 0.481 0.000 3.086 467 T HA 0.175 4.525 4.350 0.001 0.000 0.250 467 T C 0.336 175.286 174.700 0.417 0.000 1.074 467 T CA 0.178 62.551 62.100 0.454 0.000 0.988 467 T CB 0.285 69.323 68.868 0.283 0.000 0.988 467 T HN 0.548 nan 8.240 nan 0.000 0.530 468 D N -0.158 120.514 120.400 0.454 0.000 2.615 468 D HA 0.437 5.077 4.640 0.001 0.000 0.267 468 D C -1.175 175.364 176.300 0.397 0.000 1.236 468 D CA -0.492 53.582 54.000 0.123 0.000 0.839 468 D CB 2.233 43.102 40.800 0.114 0.000 1.380 468 D HN 0.046 nan 8.370 nan 0.000 0.433 469 S N -0.140 115.629 115.700 0.115 0.000 2.624 469 S HA 0.699 5.170 4.470 0.001 0.000 0.263 469 S C -0.980 173.994 174.600 0.623 0.000 1.287 469 S CA -0.437 57.992 58.200 0.382 0.000 0.990 469 S CB 0.289 63.596 63.200 0.179 0.000 0.950 469 S HN 0.352 nan 8.310 nan 0.000 0.561 470 W N 1.034 122.431 121.300 0.162 0.000 3.107 470 W HA 0.541 5.201 4.660 0.001 0.000 0.331 470 W C -2.923 172.957 176.519 -1.066 0.000 1.204 470 W CA -2.005 55.112 57.345 -0.381 0.000 1.184 470 W CB 0.057 29.302 29.460 -0.358 0.000 1.421 470 W HN 0.346 nan 8.180 nan 0.000 0.544 471 P HA -0.075 nan 4.420 nan 0.000 0.218 471 P C 1.584 178.266 177.300 -1.031 0.000 1.148 471 P CA 2.647 64.480 63.100 -2.111 0.000 0.822 471 P CB 0.096 30.806 31.700 -1.650 0.000 0.784 472 G N -1.221 107.044 108.800 -0.892 0.000 2.985 472 G HA2 -0.090 3.870 3.960 0.001 0.000 0.209 472 G HA3 -0.090 3.870 3.960 0.001 0.000 0.209 472 G C 0.508 175.324 174.900 -0.141 0.000 1.165 472 G CA -0.144 44.778 45.100 -0.296 0.000 0.776 472 G HN 0.281 nan 8.290 nan 0.000 0.541 473 Q N 0.958 120.292 119.800 -0.777 0.000 2.286 473 Q HA 0.413 4.753 4.340 0.001 0.000 0.290 473 Q C 0.599 176.461 176.000 -0.230 0.000 1.049 473 Q CA -0.480 54.909 55.803 -0.689 0.000 0.923 473 Q CB 0.575 28.482 28.738 -1.385 0.000 1.183 473 Q HN 0.239 nan 8.270 nan 0.000 0.383 474 A N 4.428 127.131 122.820 -0.196 0.000 2.565 474 A HA -0.040 4.280 4.320 0.001 0.000 0.237 474 A C 0.533 177.958 177.584 -0.265 0.000 1.053 474 A CA -0.037 51.699 52.037 -0.501 0.000 0.755 474 A CB 0.354 19.099 19.000 -0.426 0.000 0.980 474 A HN 0.892 nan 8.150 nan 0.000 0.506 475 R N 0.402 120.671 120.500 -0.385 0.000 2.223 475 R HA 0.150 4.491 4.340 0.001 0.000 0.198 475 R C 0.647 176.481 176.300 -0.777 0.000 0.984 475 R CA 1.188 57.074 56.100 -0.358 0.000 1.018 475 R CB -0.389 29.764 30.300 -0.245 0.000 0.945 475 R HN 0.837 nan 8.270 nan 0.000 0.479 476 T N -0.976 112.968 114.554 -1.018 0.000 2.654 476 T HA 0.423 4.773 4.350 0.001 0.000 0.303 476 T C -1.835 172.553 174.700 -0.519 0.000 1.656 476 T CA -0.655 60.701 62.100 -1.240 0.000 0.971 476 T CB 0.536 69.185 68.868 -0.366 0.000 1.811 476 T HN -0.067 nan 8.240 nan 0.000 0.483 477 L N 2.261 123.423 121.223 -0.102 0.000 2.317 477 L HA 0.584 4.924 4.340 0.001 0.000 0.281 477 L C -0.179 176.736 176.870 0.076 0.000 1.024 477 L CA -0.992 53.914 54.840 0.109 0.000 0.810 477 L CB 1.201 43.414 42.059 0.258 0.000 1.240 477 L HN 0.691 nan 8.230 nan 0.000 0.427 478 F N 3.107 123.022 119.950 -0.058 0.000 2.569 478 F HA 0.230 4.757 4.527 0.001 0.000 0.395 478 F C 1.284 177.091 175.800 0.013 0.000 1.028 478 F CA 0.964 58.937 58.000 -0.045 0.000 1.158 478 F CB 0.187 39.146 39.000 -0.067 0.000 1.023 478 F HN 0.743 nan 8.300 nan 0.000 0.547 479 G N 3.914 112.331 108.800 -0.639 0.000 2.155 479 G HA2 -0.300 3.660 3.960 0.001 0.000 0.257 479 G HA3 -0.300 3.660 3.960 0.001 0.000 0.257 479 G C -0.142 174.655 174.900 -0.172 0.000 0.983 479 G CA 0.363 45.161 45.100 -0.503 0.000 0.676 479 G HN 0.849 nan 8.290 nan 0.000 0.528 480 D N -1.748 118.618 120.400 -0.057 0.000 2.934 480 D HA 0.265 4.906 4.640 0.001 0.000 0.249 480 D C 0.742 177.119 176.300 0.129 0.000 1.293 480 D CA -0.496 53.528 54.000 0.040 0.000 0.812 480 D CB -0.134 40.700 40.800 0.056 0.000 1.439 480 D HN 0.189 nan 8.370 nan 0.000 0.555 481 H N 0.921 120.010 119.070 0.031 0.000 2.423 481 H HA -0.019 4.538 4.556 0.001 0.000 0.297 481 H C 1.653 177.100 175.328 0.198 0.000 1.075 481 H CA 2.152 58.261 56.048 0.100 0.000 1.342 481 H CB 0.600 30.371 29.762 0.015 0.000 1.395 481 H HN 0.370 nan 8.280 nan 0.000 0.530 482 E N -0.285 119.987 120.200 0.121 0.000 2.110 482 E HA -0.202 4.149 4.350 0.001 0.000 0.193 482 E C 2.280 178.911 176.600 0.051 0.000 0.988 482 E CA 1.039 57.478 56.400 0.064 0.000 0.804 482 E CB 0.030 29.767 29.700 0.061 0.000 0.745 482 E HN 0.226 nan 8.360 nan 0.000 0.458 483 R N -0.182 120.363 120.500 0.076 0.000 2.092 483 R HA -0.115 4.225 4.340 0.001 0.000 0.231 483 R C 1.959 178.319 176.300 0.101 0.000 1.119 483 R CA 1.477 57.616 56.100 0.065 0.000 0.970 483 R CB -0.970 29.375 30.300 0.075 0.000 0.864 483 R HN 0.307 nan 8.270 nan 0.000 0.440 484 F N 1.594 121.559 119.950 0.026 0.000 2.065 484 F HA -0.194 4.333 4.527 0.001 0.000 0.298 484 F C 1.713 177.633 175.800 0.200 0.000 1.112 484 F CA 2.277 60.363 58.000 0.143 0.000 1.212 484 F CB -0.298 38.723 39.000 0.034 0.000 0.975 484 F HN 0.165 nan 8.300 nan 0.000 0.476 485 E N -0.390 119.830 120.200 0.033 0.000 2.051 485 E HA -0.309 4.041 4.350 0.001 0.000 0.192 485 E C 2.243 178.868 176.600 0.042 0.000 0.991 485 E CA 1.420 57.834 56.400 0.023 0.000 0.799 485 E CB -0.447 29.232 29.700 -0.035 0.000 0.748 485 E HN 0.600 nan 8.360 nan 0.000 0.449 486 Q N 0.380 120.168 119.800 -0.019 0.000 2.084 486 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 486 Q C 1.968 177.870 176.000 -0.163 0.000 0.978 486 Q CA 1.849 57.613 55.803 -0.064 0.000 0.844 486 Q CB 0.063 28.769 28.738 -0.053 0.000 0.898 486 Q HN 0.195 nan 8.270 nan 0.000 0.426 487 T N -0.467 113.916 114.554 -0.285 0.000 2.777 487 T HA -0.124 4.226 4.350 0.001 0.000 0.266 487 T C 0.955 175.208 174.700 -0.746 0.000 1.040 487 T CA 1.502 63.252 62.100 -0.584 0.000 1.141 487 T CB -0.210 68.130 68.868 -0.880 0.000 0.868 487 T HN 0.432 nan 8.240 nan 0.000 0.444 488 Y N -1.437 118.630 120.300 -0.388 0.000 2.498 488 Y HA 0.384 4.935 4.550 0.001 0.000 0.259 488 Y C 0.997 176.352 175.900 -0.909 0.000 1.086 488 Y CA -0.270 57.362 58.100 -0.780 0.000 1.287 488 Y CB 0.468 38.275 38.460 -1.090 0.000 1.146 488 Y HN 0.136 nan 8.280 nan 0.000 0.523 489 F N -1.539 118.329 119.950 -0.136 0.000 2.775 489 F HA 0.198 4.725 4.527 0.001 0.000 0.313 489 F C 1.590 177.351 175.800 -0.065 0.000 1.121 489 F CA -0.075 57.872 58.000 -0.089 0.000 1.206 489 F CB 0.456 39.387 39.000 -0.115 0.000 1.052 489 F HN -0.049 nan 8.300 nan 0.000 0.524 490 S N -2.380 113.320 115.700 0.001 0.000 2.539 490 S HA -0.005 4.466 4.470 0.001 0.000 0.226 490 S C 1.668 176.172 174.600 -0.160 0.000 1.054 490 S CA 0.613 58.787 58.200 -0.044 0.000 0.910 490 S CB -0.427 62.740 63.200 -0.056 0.000 0.818 490 S HN 0.118 nan 8.310 nan 0.000 0.490 491 T N 1.653 116.025 114.554 -0.305 0.000 2.777 491 T HA 0.179 4.529 4.350 0.001 0.000 0.266 491 T C -0.147 174.037 174.700 -0.859 0.000 1.040 491 T CA 0.976 62.657 62.100 -0.699 0.000 1.141 491 T CB -0.416 67.827 68.868 -1.041 0.000 0.868 491 T HN 0.512 nan 8.240 nan 0.000 0.444 492 F N 1.468 121.343 119.950 -0.126 0.000 2.646 492 F HA 0.400 4.928 4.527 0.001 0.000 0.364 492 F C 0.034 175.845 175.800 0.019 0.000 1.137 492 F CA -1.333 56.610 58.000 -0.094 0.000 1.085 492 F CB 1.075 39.981 39.000 -0.156 0.000 1.331 492 F HN -0.340 nan 8.300 nan 0.000 0.472 493 K N 3.020 123.527 120.400 0.179 0.000 2.448 493 K HA 0.044 4.365 4.320 0.001 0.000 0.278 493 K C 0.515 177.259 176.600 0.239 0.000 1.009 493 K CA 0.283 56.676 56.287 0.177 0.000 0.995 493 K CB 0.191 32.761 32.500 0.117 0.000 0.917 493 K HN 0.665 nan 8.250 nan 0.000 0.481 494 N N 0.648 119.528 118.700 0.301 0.000 2.878 494 N HA -0.198 4.543 4.740 0.001 0.000 0.247 494 N C -0.901 174.940 175.510 0.552 0.000 1.021 494 N CA 1.331 54.614 53.050 0.388 0.000 0.873 494 N CB -0.801 37.843 38.487 0.261 0.000 1.128 494 N HN 0.545 nan 8.380 nan 0.000 0.571 495 M N -0.052 119.852 119.600 0.507 0.000 2.457 495 M HA 0.242 4.722 4.480 0.001 0.000 0.300 495 M C -0.569 175.895 176.300 0.274 0.000 1.141 495 M CA -0.737 54.862 55.300 0.497 0.000 0.901 495 M CB 2.374 35.187 32.600 0.355 0.000 1.687 495 M HN 0.086 nan 8.290 nan 0.000 0.449 496 Y N 2.921 123.243 120.300 0.038 0.000 2.436 496 Y HA 0.328 4.878 4.550 0.001 0.000 0.343 496 Y C -1.331 174.623 175.900 0.090 0.000 1.008 496 Y CA -0.275 57.631 58.100 -0.323 0.000 1.241 496 Y CB 0.308 38.671 38.460 -0.162 0.000 1.153 496 Y HN 0.488 nan 8.280 nan 0.000 0.521 497 F N 6.330 125.869 119.950 -0.685 0.000 2.405 497 F HA 0.247 4.775 4.527 0.001 0.000 0.355 497 F C 1.153 176.605 175.800 -0.580 0.000 1.121 497 F CA -1.093 56.694 58.000 -0.355 0.000 1.112 497 F CB 0.976 39.911 39.000 -0.107 0.000 1.126 497 F HN 0.614 nan 8.300 nan 0.000 0.481 498 S N 3.341 118.822 115.700 -0.365 0.000 2.461 498 S HA 0.170 4.641 4.470 0.001 0.000 0.228 498 S C 1.673 176.007 174.600 -0.445 0.000 1.005 498 S CA 0.522 58.604 58.200 -0.197 0.000 0.942 498 S CB -0.558 62.877 63.200 0.391 0.000 0.776 498 S HN 1.692 nan 8.310 nan 0.000 0.514 499 G N 0.822 108.901 108.800 -1.202 0.000 2.176 499 G HA2 -0.183 3.778 3.960 0.001 0.000 0.253 499 G HA3 -0.183 3.778 3.960 0.001 0.000 0.253 499 G C -0.383 174.355 174.900 -0.269 0.000 0.979 499 G CA 0.245 44.788 45.100 -0.929 0.000 0.641 499 G HN 0.557 nan 8.290 nan 0.000 0.530 500 D N 0.358 120.715 120.400 -0.072 0.000 2.217 500 D HA 0.585 5.226 4.640 0.001 0.000 0.248 500 D C 0.738 177.112 176.300 0.122 0.000 1.008 500 D CA 0.707 54.754 54.000 0.078 0.000 0.914 500 D CB 1.459 42.346 40.800 0.146 0.000 1.182 500 D HN 0.385 nan 8.370 nan 0.000 0.451 501 G N -0.795 108.064 108.800 0.099 0.000 2.441 501 G HA2 0.670 4.630 3.960 0.001 0.000 0.334 501 G HA3 0.670 4.630 3.960 0.001 0.000 0.334 501 G C -1.164 173.762 174.900 0.043 0.000 1.161 501 G CA -0.431 44.726 45.100 0.094 0.000 0.935 501 G HN 0.535 nan 8.290 nan 0.000 0.488 502 A N 0.986 123.839 122.820 0.054 0.000 2.609 502 A HA 0.887 5.207 4.320 0.001 0.000 0.291 502 A C -0.431 177.217 177.584 0.107 0.000 1.096 502 A CA -0.888 51.195 52.037 0.077 0.000 0.684 502 A CB 1.630 20.662 19.000 0.054 0.000 1.282 502 A HN 1.191 nan 8.150 nan 0.000 0.412 503 R N 0.488 121.073 120.500 0.142 0.000 2.778 503 R HA 0.828 5.168 4.340 0.001 0.000 0.277 503 R C -0.632 175.733 176.300 0.108 0.000 0.977 503 R CA -0.775 55.377 56.100 0.087 0.000 0.950 503 R CB 1.778 32.080 30.300 0.002 0.000 1.165 503 R HN 0.706 nan 8.270 nan 0.000 0.474 504 R N 1.797 122.271 120.500 -0.044 0.000 2.437 504 R HA 0.165 4.506 4.340 0.001 0.000 0.310 504 R C -0.919 175.336 176.300 -0.075 0.000 0.955 504 R CA -0.599 55.371 56.100 -0.217 0.000 0.851 504 R CB 1.108 31.113 30.300 -0.492 0.000 1.161 504 R HN 0.914 nan 8.270 nan 0.000 0.446 505 D N 3.058 123.479 120.400 0.035 0.000 2.478 505 D HA 0.100 4.740 4.640 0.001 0.000 0.274 505 D C 1.069 177.354 176.300 -0.026 0.000 1.234 505 D CA 0.112 54.117 54.000 0.010 0.000 1.069 505 D CB 0.240 41.093 40.800 0.090 0.000 1.113 505 D HN 0.538 nan 8.370 nan 0.000 0.571 506 E N -0.653 119.521 120.200 -0.043 0.000 2.268 506 E HA -0.140 4.211 4.350 0.001 0.000 0.195 506 E C 1.234 177.813 176.600 -0.035 0.000 0.995 506 E CA 1.459 57.832 56.400 -0.046 0.000 0.836 506 E CB -0.843 28.823 29.700 -0.057 0.000 0.763 506 E HN 0.523 nan 8.360 nan 0.000 0.491 507 D N -1.083 119.291 120.400 -0.043 0.000 2.340 507 D HA 0.189 4.829 4.640 0.001 0.000 0.220 507 D C 1.378 177.752 176.300 0.124 0.000 1.039 507 D CA 0.941 54.929 54.000 -0.019 0.000 0.866 507 D CB 0.522 41.188 40.800 -0.225 0.000 0.913 507 D HN 0.585 nan 8.370 nan 0.000 0.523 508 G N 0.475 109.317 108.800 0.071 0.000 2.157 508 G HA2 -0.294 3.666 3.960 0.001 0.000 0.248 508 G HA3 -0.294 3.666 3.960 0.001 0.000 0.248 508 G C -0.052 174.847 174.900 -0.001 0.000 0.979 508 G CA -0.319 44.785 45.100 0.008 0.000 0.650 508 G HN 0.224 nan 8.290 nan 0.000 0.529 509 Y N 0.106 120.321 120.300 -0.141 0.000 2.425 509 Y HA 0.532 5.083 4.550 0.001 0.000 0.331 509 Y C 0.857 176.640 175.900 -0.196 0.000 1.157 509 Y CA -0.851 57.168 58.100 -0.135 0.000 1.372 509 Y CB 0.270 38.663 38.460 -0.112 0.000 1.253 509 Y HN 0.204 nan 8.280 nan 0.000 0.536 510 Y N 1.274 121.542 120.300 -0.054 0.000 2.334 510 Y HA 0.276 4.826 4.550 0.001 0.000 0.328 510 Y C -0.938 174.864 175.900 -0.164 0.000 1.130 510 Y CA -0.714 57.367 58.100 -0.032 0.000 1.163 510 Y CB 0.827 39.220 38.460 -0.110 0.000 1.207 510 Y HN 0.510 nan 8.280 nan 0.000 0.471 511 W N 4.705 126.057 121.300 0.087 0.000 2.393 511 W HA 0.524 5.185 4.660 0.001 0.000 0.315 511 W C -1.411 175.113 176.519 0.009 0.000 1.009 511 W CA -0.765 56.603 57.345 0.039 0.000 1.313 511 W CB 0.564 30.030 29.460 0.010 0.000 1.269 511 W HN 0.228 nan 8.180 nan 0.000 0.420 512 I N 3.160 123.806 120.570 0.127 0.000 2.379 512 I HA 0.089 4.259 4.170 0.001 0.000 0.290 512 I C 1.602 177.781 176.117 0.103 0.000 1.063 512 I CA 0.418 61.728 61.300 0.017 0.000 1.351 512 I CB 1.018 38.933 38.000 -0.141 0.000 1.410 512 I HN 0.546 nan 8.210 nan 0.000 0.505 513 T N 1.537 116.144 114.554 0.088 0.000 3.037 513 T HA 0.566 4.916 4.350 0.001 0.000 0.252 513 T C 0.819 175.567 174.700 0.081 0.000 1.073 513 T CA 0.231 62.387 62.100 0.092 0.000 1.091 513 T CB 0.053 68.966 68.868 0.075 0.000 0.935 513 T HN 0.915 nan 8.240 nan 0.000 0.488 514 G N 1.164 110.014 108.800 0.082 0.000 2.347 514 G HA2 0.180 4.141 3.960 0.001 0.000 0.341 514 G HA3 0.180 4.141 3.960 0.001 0.000 0.341 514 G C -1.620 173.327 174.900 0.079 0.000 1.287 514 G CA -1.333 43.818 45.100 0.085 0.000 0.984 514 G HN 0.334 nan 8.290 nan 0.000 0.526 515 R N 0.003 120.542 120.500 0.064 0.000 2.570 515 R HA 0.291 4.632 4.340 0.001 0.000 0.277 515 R C 1.596 177.929 176.300 0.055 0.000 1.039 515 R CA 0.486 56.613 56.100 0.045 0.000 1.065 515 R CB 0.844 31.156 30.300 0.021 0.000 0.964 515 R HN 1.324 nan 8.270 nan 0.000 0.428 516 V N -1.828 118.129 119.914 0.072 0.000 3.660 516 V HA 0.043 4.163 4.120 0.001 0.000 0.276 516 V C 0.572 176.724 176.094 0.097 0.000 1.317 516 V CA 0.079 62.444 62.300 0.109 0.000 1.097 516 V CB -0.254 31.684 31.823 0.191 0.000 0.863 516 V HN 0.639 nan 8.190 nan 0.000 0.438 517 D N -0.016 120.414 120.400 0.050 0.000 2.507 517 D HA 0.159 4.799 4.640 0.001 0.000 0.280 517 D C 0.028 176.335 176.300 0.012 0.000 1.219 517 D CA -0.582 53.433 54.000 0.025 0.000 1.085 517 D CB 0.038 40.818 40.800 -0.032 0.000 1.134 517 D HN 0.069 nan 8.370 nan 0.000 0.583 518 D N -0.695 119.706 120.400 0.001 0.000 2.538 518 D HA 0.159 4.799 4.640 0.001 0.000 0.234 518 D C -0.405 175.900 176.300 0.007 0.000 1.191 518 D CA -0.087 53.918 54.000 0.007 0.000 0.828 518 D CB 0.111 40.916 40.800 0.007 0.000 0.981 518 D HN 0.048 nan 8.370 nan 0.000 0.490 519 V N 1.326 121.241 119.914 0.001 0.000 2.481 519 V HA 0.326 4.446 4.120 0.001 0.000 0.286 519 V C 0.534 176.631 176.094 0.005 0.000 1.042 519 V CA -0.695 61.605 62.300 0.001 0.000 0.928 519 V CB 2.007 33.823 31.823 -0.011 0.000 0.986 519 V HN 0.003 nan 8.190 nan 0.000 0.462 520 L N 3.372 124.598 121.223 0.004 0.000 2.352 520 L HA 0.604 4.944 4.340 0.001 0.000 0.269 520 L C -0.181 176.676 176.870 -0.021 0.000 1.034 520 L CA -0.626 54.215 54.840 0.001 0.000 0.806 520 L CB 1.332 43.398 42.059 0.011 0.000 1.244 520 L HN 0.669 nan 8.230 nan 0.000 0.447 521 N N 0.809 119.492 118.700 -0.027 0.000 2.540 521 N HA 0.445 5.186 4.740 0.001 0.000 0.275 521 N C -1.743 173.728 175.510 -0.066 0.000 1.053 521 N CA -0.347 52.667 53.050 -0.061 0.000 0.876 521 N CB 1.519 39.971 38.487 -0.059 0.000 1.284 521 N HN 0.290 nan 8.380 nan 0.000 0.518 522 V N 2.578 122.443 119.914 -0.081 0.000 2.376 522 V HA 0.400 4.520 4.120 0.001 0.000 0.287 522 V C 0.306 176.322 176.094 -0.130 0.000 1.015 522 V CA -0.804 61.450 62.300 -0.077 0.000 0.834 522 V CB 1.079 32.880 31.823 -0.038 0.000 1.001 522 V HN 0.841 nan 8.190 nan 0.000 0.428 523 S N 3.782 119.390 115.700 -0.154 0.000 3.559 523 S HA -0.206 4.264 4.470 0.001 0.000 0.369 523 S C 1.429 175.754 174.600 -0.459 0.000 0.987 523 S CA 1.233 59.297 58.200 -0.227 0.000 1.187 523 S CB -1.262 61.842 63.200 -0.160 0.000 0.914 523 S HN 2.257 nan 8.310 nan 0.000 0.480 524 G N -0.050 108.525 108.800 -0.375 0.000 2.203 524 G HA2 -0.315 3.645 3.960 0.001 0.000 0.263 524 G HA3 -0.315 3.645 3.960 0.001 0.000 0.263 524 G C -0.321 174.196 174.900 -0.639 0.000 1.012 524 G CA 0.769 45.598 45.100 -0.452 0.000 0.749 524 G HN 0.894 nan 8.290 nan 0.000 0.512 525 H N -0.889 117.969 119.070 -0.354 0.000 2.481 525 H HA 0.520 5.076 4.556 0.001 0.000 0.333 525 H C 0.508 175.622 175.328 -0.357 0.000 1.066 525 H CA -0.884 54.857 56.048 -0.512 0.000 1.209 525 H CB 1.089 30.566 29.762 -0.474 0.000 1.445 525 H HN 0.248 nan 8.280 nan 0.000 0.488 526 R N 4.409 124.743 120.500 -0.277 0.000 2.248 526 R HA 0.292 4.633 4.340 0.001 0.000 0.328 526 R C -1.324 174.928 176.300 -0.080 0.000 1.067 526 R CA -0.171 55.833 56.100 -0.160 0.000 0.924 526 R CB 0.021 30.222 30.300 -0.164 0.000 1.013 526 R HN 0.577 nan 8.270 nan 0.000 0.454 527 L N 3.079 124.288 121.223 -0.024 0.000 2.388 527 L HA 0.555 4.896 4.340 0.001 0.000 0.264 527 L C 0.295 177.186 176.870 0.035 0.000 0.998 527 L CA -1.159 53.698 54.840 0.029 0.000 0.817 527 L CB 2.363 44.442 42.059 0.034 0.000 1.338 527 L HN 0.765 nan 8.230 nan 0.000 0.414 528 G N -0.946 107.888 108.800 0.056 0.000 2.367 528 G HA2 0.401 4.361 3.960 0.001 0.000 0.314 528 G HA3 0.401 4.361 3.960 0.001 0.000 0.314 528 G C 0.861 175.790 174.900 0.049 0.000 1.130 528 G CA 0.192 45.320 45.100 0.046 0.000 0.864 528 G HN 0.733 nan 8.290 nan 0.000 0.486 529 T N -0.526 114.053 114.554 0.041 0.000 2.867 529 T HA -0.040 4.310 4.350 0.001 0.000 0.268 529 T C 2.448 177.178 174.700 0.050 0.000 1.057 529 T CA 1.704 63.833 62.100 0.047 0.000 1.136 529 T CB -0.105 68.790 68.868 0.044 0.000 0.874 529 T HN 0.602 nan 8.240 nan 0.000 0.466 530 A N 2.611 125.457 122.820 0.043 0.000 1.898 530 A HA -0.080 4.240 4.320 0.001 0.000 0.216 530 A C 2.234 179.850 177.584 0.054 0.000 1.181 530 A CA 1.575 53.639 52.037 0.044 0.000 0.620 530 A CB -0.631 18.389 19.000 0.034 0.000 0.819 530 A HN 0.809 nan 8.150 nan 0.000 0.442 531 E N 0.159 120.394 120.200 0.059 0.000 2.150 531 E HA -0.121 4.230 4.350 0.001 0.000 0.193 531 E C 1.743 178.389 176.600 0.076 0.000 0.985 531 E CA 1.269 57.709 56.400 0.066 0.000 0.814 531 E CB -0.435 29.309 29.700 0.072 0.000 0.752 531 E HN 0.680 nan 8.360 nan 0.000 0.466 532 I N 1.377 121.992 120.570 0.076 0.000 2.286 532 I HA -0.195 3.975 4.170 0.001 0.000 0.245 532 I C 2.290 178.460 176.117 0.088 0.000 1.104 532 I CA 1.165 62.513 61.300 0.080 0.000 1.397 532 I CB -0.318 37.723 38.000 0.068 0.000 1.072 532 I HN 0.077 nan 8.210 nan 0.000 0.417 533 E N 0.772 121.018 120.200 0.077 0.000 2.070 533 E HA -0.209 4.142 4.350 0.001 0.000 0.197 533 E C 2.347 179.002 176.600 0.092 0.000 1.004 533 E CA 1.766 58.213 56.400 0.078 0.000 0.805 533 E CB -0.090 29.648 29.700 0.063 0.000 0.744 533 E HN 0.332 nan 8.360 nan 0.000 0.451 534 S N 0.407 116.160 115.700 0.089 0.000 2.353 534 S HA -0.219 4.251 4.470 0.001 0.000 0.222 534 S C 2.116 176.805 174.600 0.149 0.000 1.035 534 S CA 1.028 59.287 58.200 0.098 0.000 1.025 534 S CB -0.341 62.905 63.200 0.076 0.000 0.902 534 S HN 0.429 nan 8.310 nan 0.000 0.440 535 A N 1.453 124.367 122.820 0.156 0.000 1.884 535 A HA -0.148 4.172 4.320 0.001 0.000 0.219 535 A C 2.165 179.997 177.584 0.413 0.000 1.197 535 A CA 1.629 53.809 52.037 0.238 0.000 0.637 535 A CB -0.950 18.142 19.000 0.153 0.000 0.827 535 A HN 0.461 nan 8.150 nan 0.000 0.450 536 L N -0.719 120.665 121.223 0.268 0.000 2.017 536 L HA -0.160 4.180 4.340 0.001 0.000 0.208 536 L C 2.457 179.420 176.870 0.155 0.000 1.073 536 L CA 1.220 56.187 54.840 0.212 0.000 0.745 536 L CB -0.483 41.640 42.059 0.108 0.000 0.894 536 L HN 0.254 nan 8.230 nan 0.000 0.432 537 V N -0.045 119.951 119.914 0.136 0.000 2.913 537 V HA -0.215 3.905 4.120 0.001 0.000 0.260 537 V C 2.588 178.746 176.094 0.106 0.000 1.098 537 V CA 1.370 63.726 62.300 0.094 0.000 1.121 537 V CB -0.771 31.096 31.823 0.074 0.000 0.714 537 V HN 0.467 nan 8.190 nan 0.000 0.487 538 A N -1.382 121.566 122.820 0.213 0.000 2.015 538 A HA -0.164 4.156 4.320 0.001 0.000 0.219 538 A C 1.435 179.068 177.584 0.082 0.000 1.163 538 A CA 0.630 52.831 52.037 0.273 0.000 0.646 538 A CB -0.636 18.657 19.000 0.487 0.000 0.806 538 A HN 0.623 nan 8.150 nan 0.000 0.448 539 H N 0.478 119.323 119.070 -0.375 0.000 2.928 539 H HA 0.077 4.633 4.556 0.001 0.000 0.338 539 H C -1.806 173.218 175.328 -0.507 0.000 1.047 539 H CA -1.077 54.327 56.048 -1.074 0.000 1.435 539 H CB 1.065 30.184 29.762 -1.072 0.000 1.428 539 H HN 0.048 nan 8.280 nan 0.000 0.590 540 P HA -0.059 nan 4.420 nan 0.000 0.225 540 P C 0.622 177.849 177.300 -0.121 0.000 1.148 540 P CA 1.377 64.287 63.100 -0.317 0.000 0.779 540 P CB 0.263 31.757 31.700 -0.343 0.000 0.780 541 K N -1.269 119.167 120.400 0.059 0.000 2.367 541 K HA 0.196 4.516 4.320 0.001 0.000 0.194 541 K C 0.524 177.157 176.600 0.054 0.000 1.027 541 K CA 0.006 56.343 56.287 0.082 0.000 1.075 541 K CB 0.326 32.898 32.500 0.120 0.000 0.845 541 K HN 0.202 nan 8.250 nan 0.000 0.529 542 I N 0.740 121.347 120.570 0.061 0.000 2.336 542 I HA 0.104 4.275 4.170 0.001 0.000 0.292 542 I C 0.908 177.036 176.117 0.018 0.000 0.991 542 I CA -0.342 60.978 61.300 0.034 0.000 1.227 542 I CB 1.788 39.799 38.000 0.020 0.000 1.366 542 I HN 0.011 nan 8.210 nan 0.000 0.466 543 A N 5.050 127.881 122.820 0.019 0.000 1.911 543 A HA 0.166 4.487 4.320 0.001 0.000 0.212 543 A C 0.707 178.302 177.584 0.018 0.000 1.189 543 A CA 0.851 52.887 52.037 -0.003 0.000 0.639 543 A CB 0.203 19.186 19.000 -0.029 0.000 0.839 543 A HN 0.750 nan 8.150 nan 0.000 0.449 544 E N -2.504 117.722 120.200 0.044 0.000 2.392 544 E HA 0.633 4.983 4.350 0.001 0.000 0.279 544 E C -1.537 175.105 176.600 0.069 0.000 0.964 544 E CA -0.358 56.072 56.400 0.049 0.000 0.777 544 E CB 2.170 31.896 29.700 0.043 0.000 1.249 544 E HN 0.488 nan 8.360 nan 0.000 0.449 545 A N 1.364 124.223 122.820 0.065 0.000 2.574 545 A HA 0.868 5.189 4.320 0.001 0.000 0.297 545 A C -1.698 175.932 177.584 0.076 0.000 1.062 545 A CA -0.067 52.017 52.037 0.079 0.000 0.686 545 A CB 1.809 20.852 19.000 0.071 0.000 1.285 545 A HN 0.590 nan 8.150 nan 0.000 0.403 546 A N 1.064 123.950 122.820 0.110 0.000 2.381 546 A HA 0.714 5.034 4.320 0.001 0.000 0.299 546 A C -1.181 176.519 177.584 0.192 0.000 1.049 546 A CA -0.453 51.646 52.037 0.102 0.000 0.715 546 A CB 1.392 20.403 19.000 0.018 0.000 1.222 546 A HN 1.407 nan 8.150 nan 0.000 0.428 547 V N 3.059 123.057 119.914 0.140 0.000 2.459 547 V HA 0.694 4.814 4.120 0.001 0.000 0.295 547 V C 0.017 176.197 176.094 0.142 0.000 1.029 547 V CA -0.299 62.090 62.300 0.149 0.000 0.874 547 V CB 1.478 33.356 31.823 0.093 0.000 0.985 547 V HN 1.244 nan 8.190 nan 0.000 0.438 548 V N 1.954 121.975 119.914 0.177 0.000 3.102 548 V HA 1.029 5.149 4.120 0.001 0.000 0.312 548 V C 0.167 176.323 176.094 0.103 0.000 1.135 548 V CA -0.537 61.834 62.300 0.119 0.000 1.022 548 V CB 1.876 33.762 31.823 0.105 0.000 1.056 548 V HN 0.904 nan 8.190 nan 0.000 0.436 549 G N 1.440 110.278 108.800 0.062 0.000 2.400 549 G HA2 0.722 4.682 3.960 0.001 0.000 0.301 549 G HA3 0.722 4.682 3.960 0.001 0.000 0.301 549 G C -0.600 174.325 174.900 0.042 0.000 1.154 549 G CA -0.533 44.600 45.100 0.055 0.000 0.852 549 G HN 1.488 nan 8.290 nan 0.000 0.511 550 I N -0.871 119.736 120.570 0.062 0.000 2.785 550 I HA 0.602 4.772 4.170 0.001 0.000 0.302 550 I C -2.796 173.369 176.117 0.079 0.000 1.069 550 I CA -3.142 58.190 61.300 0.053 0.000 1.045 550 I CB 2.564 40.603 38.000 0.065 0.000 1.236 550 I HN 0.175 nan 8.210 nan 0.000 0.429 551 P HA 0.100 nan 4.420 nan 0.000 0.265 551 P C -1.385 175.990 177.300 0.125 0.000 1.187 551 P CA 0.609 63.752 63.100 0.072 0.000 0.766 551 P CB 0.094 31.816 31.700 0.036 0.000 0.820 552 H N 1.057 120.132 119.070 0.008 0.000 3.083 552 H HA 0.494 5.050 4.556 0.001 0.000 0.339 552 H C 0.585 175.909 175.328 -0.006 0.000 1.020 552 H CA -0.436 55.615 56.048 0.005 0.000 1.360 552 H CB 1.229 30.996 29.762 0.008 0.000 1.811 552 H HN 0.296 nan 8.280 nan 0.000 0.493 553 A N 4.482 127.186 122.820 -0.194 0.000 2.019 553 A HA -0.065 4.256 4.320 0.001 0.000 0.219 553 A C 1.653 179.231 177.584 -0.011 0.000 1.164 553 A CA 1.554 53.536 52.037 -0.092 0.000 0.644 553 A CB -0.406 18.516 19.000 -0.130 0.000 0.805 553 A HN 0.720 nan 8.150 nan 0.000 0.449 554 I N -1.315 119.309 120.570 0.089 0.000 2.385 554 I HA -0.100 4.071 4.170 0.001 0.000 0.244 554 I C 2.085 178.304 176.117 0.169 0.000 1.089 554 I CA 1.097 62.492 61.300 0.157 0.000 1.410 554 I CB -0.089 38.034 38.000 0.205 0.000 1.117 554 I HN 0.137 nan 8.210 nan 0.000 0.429 555 K N 0.533 121.114 120.400 0.302 0.000 2.400 555 K HA 0.204 4.524 4.320 0.001 0.000 0.194 555 K C 1.397 178.006 176.600 0.016 0.000 1.033 555 K CA 0.693 56.992 56.287 0.021 0.000 1.021 555 K CB 0.498 32.872 32.500 -0.210 0.000 0.808 555 K HN 0.479 nan 8.250 nan 0.000 0.505 556 G N 1.298 110.149 108.800 0.086 0.000 3.909 556 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 556 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 556 G C 0.018 174.959 174.900 0.069 0.000 1.404 556 G CA -0.053 45.076 45.100 0.049 0.000 0.905 556 G HN 0.341 nan 8.290 nan 0.000 0.589 557 Q N 0.531 120.353 119.800 0.037 0.000 2.375 557 Q HA 0.698 5.039 4.340 0.001 0.000 0.271 557 Q C -0.247 175.748 176.000 -0.008 0.000 1.074 557 Q CA -0.159 55.669 55.803 0.042 0.000 0.808 557 Q CB 2.292 31.042 28.738 0.020 0.000 1.327 557 Q HN 0.977 nan 8.270 nan 0.000 0.441 558 A N 2.214 125.043 122.820 0.014 0.000 2.311 558 A HA 0.712 5.033 4.320 0.001 0.000 0.334 558 A C -0.631 176.964 177.584 0.018 0.000 1.139 558 A CA -0.680 51.321 52.037 -0.061 0.000 0.830 558 A CB 0.717 19.684 19.000 -0.055 0.000 1.234 558 A HN 0.724 nan 8.150 nan 0.000 0.483 559 I N 1.295 121.865 120.570 -0.000 0.000 2.312 559 I HA 0.201 4.371 4.170 0.001 0.000 0.291 559 I C -1.106 175.045 176.117 0.056 0.000 1.031 559 I CA -0.053 61.266 61.300 0.032 0.000 1.293 559 I CB 0.635 38.637 38.000 0.002 0.000 1.403 559 I HN 0.632 nan 8.210 nan 0.000 0.484 560 Y N 6.811 127.083 120.300 -0.047 0.000 2.328 560 Y HA 0.684 5.235 4.550 0.001 0.000 0.333 560 Y C -0.404 175.430 175.900 -0.111 0.000 0.958 560 Y CA -1.042 57.000 58.100 -0.097 0.000 1.167 560 Y CB 1.413 39.821 38.460 -0.087 0.000 1.151 560 Y HN 0.574 nan 8.280 nan 0.000 0.470 561 A N 6.348 129.072 122.820 -0.160 0.000 2.291 561 A HA 0.559 4.879 4.320 0.001 0.000 0.311 561 A C -1.907 175.582 177.584 -0.159 0.000 1.224 561 A CA -0.511 51.482 52.037 -0.073 0.000 0.821 561 A CB 0.000 18.926 19.000 -0.123 0.000 1.172 561 A HN 0.718 nan 8.150 nan 0.000 0.494 562 Y N 1.568 121.876 120.300 0.013 0.000 2.359 562 Y HA 0.442 4.993 4.550 0.001 0.000 0.334 562 Y C 0.272 176.162 175.900 -0.016 0.000 1.058 562 Y CA -0.104 57.982 58.100 -0.024 0.000 1.244 562 Y CB 1.274 39.693 38.460 -0.070 0.000 1.187 562 Y HN 0.360 nan 8.280 nan 0.000 0.510 563 V N 3.175 123.177 119.914 0.145 0.000 2.531 563 V HA 0.393 4.513 4.120 0.001 0.000 0.301 563 V C -0.394 175.863 176.094 0.271 0.000 1.034 563 V CA -0.888 61.505 62.300 0.154 0.000 0.865 563 V CB 2.151 34.008 31.823 0.058 0.000 0.995 563 V HN 0.769 nan 8.190 nan 0.000 0.424 564 T N 6.261 120.935 114.554 0.201 0.000 2.772 564 T HA 0.594 4.944 4.350 0.001 0.000 0.288 564 T C -0.120 174.667 174.700 0.145 0.000 0.994 564 T CA -0.290 61.920 62.100 0.183 0.000 0.951 564 T CB 0.740 69.686 68.868 0.130 0.000 0.933 564 T HN 0.339 nan 8.240 nan 0.000 0.447 565 L N 3.151 124.456 121.223 0.137 0.000 2.418 565 L HA 0.339 4.679 4.340 0.001 0.000 0.265 565 L C 0.996 177.896 176.870 0.051 0.000 1.143 565 L CA -1.070 53.809 54.840 0.065 0.000 0.809 565 L CB 0.383 42.435 42.059 -0.012 0.000 1.124 565 L HN 0.538 nan 8.230 nan 0.000 0.456 566 N N 0.265 118.971 118.700 0.011 0.000 2.395 566 N HA -0.016 4.725 4.740 0.001 0.000 0.246 566 N C -0.231 175.312 175.510 0.056 0.000 1.246 566 N CA 0.171 53.205 53.050 -0.027 0.000 0.879 566 N CB 0.136 38.597 38.487 -0.043 0.000 1.098 566 N HN 0.462 nan 8.380 nan 0.000 0.444 567 H N 0.021 119.088 119.070 -0.005 0.000 3.034 567 H HA 0.105 4.661 4.556 0.001 0.000 0.324 567 H C 1.390 176.707 175.328 -0.018 0.000 1.015 567 H CA 0.446 56.488 56.048 -0.009 0.000 1.429 567 H CB 0.368 30.128 29.762 -0.005 0.000 1.429 567 H HN 0.861 nan 8.280 nan 0.000 0.585 568 G N 2.273 111.131 108.800 0.097 0.000 2.217 568 G HA2 -0.245 3.715 3.960 0.001 0.000 0.246 568 G HA3 -0.245 3.715 3.960 0.001 0.000 0.246 568 G C 0.129 175.029 174.900 -0.001 0.000 0.990 568 G CA -0.188 44.931 45.100 0.032 0.000 0.627 568 G HN 0.545 nan 8.290 nan 0.000 0.522 569 E N 1.363 121.560 120.200 -0.006 0.000 2.313 569 E HA 0.623 4.973 4.350 0.001 0.000 0.272 569 E C 0.374 176.917 176.600 -0.094 0.000 1.038 569 E CA 0.549 56.918 56.400 -0.052 0.000 0.863 569 E CB 1.212 30.879 29.700 -0.056 0.000 1.060 569 E HN 0.897 nan 8.360 nan 0.000 0.402 570 E N 2.024 122.138 120.200 -0.143 0.000 2.256 570 E HA 0.553 4.903 4.350 0.001 0.000 0.267 570 E C -2.647 173.748 176.600 -0.342 0.000 0.892 570 E CA -2.032 54.251 56.400 -0.195 0.000 0.775 570 E CB 0.957 30.577 29.700 -0.132 0.000 1.207 570 E HN 0.165 nan 8.360 nan 0.000 0.420 571 P HA 0.520 nan 4.420 nan 0.000 0.274 571 P C -0.648 176.406 177.300 -0.410 0.000 1.237 571 P CA -0.182 62.401 63.100 -0.860 0.000 0.793 571 P CB 1.154 32.083 31.700 -1.285 0.000 0.977 572 S N -0.291 115.250 115.700 -0.265 0.000 2.587 572 S HA 0.454 4.924 4.470 0.001 0.000 0.269 572 S C -2.569 172.097 174.600 0.111 0.000 1.154 572 S CA -1.131 57.039 58.200 -0.051 0.000 0.824 572 S CB 1.167 64.336 63.200 -0.052 0.000 1.118 572 S HN 0.062 nan 8.310 nan 0.000 0.462 573 P HA -0.071 nan 4.420 nan 0.000 0.216 573 P C 1.381 178.782 177.300 0.169 0.000 1.150 573 P CA 1.418 64.590 63.100 0.120 0.000 0.837 573 P CB 0.075 31.793 31.700 0.029 0.000 0.786 574 E N -0.490 119.775 120.200 0.109 0.000 2.085 574 E HA -0.204 4.146 4.350 0.001 0.000 0.194 574 E C 1.846 178.530 176.600 0.140 0.000 0.994 574 E CA 0.903 57.367 56.400 0.105 0.000 0.801 574 E CB -0.546 29.191 29.700 0.061 0.000 0.743 574 E HN 0.029 nan 8.360 nan 0.000 0.453 575 L N 0.178 121.478 121.223 0.129 0.000 2.093 575 L HA -0.118 4.222 4.340 0.001 0.000 0.208 575 L C 2.123 179.164 176.870 0.284 0.000 1.085 575 L CA 1.617 56.529 54.840 0.121 0.000 0.755 575 L CB -0.744 41.288 42.059 -0.044 0.000 0.904 575 L HN 0.257 nan 8.230 nan 0.000 0.435 576 Y N 0.051 120.543 120.300 0.320 0.000 2.081 576 Y HA -0.342 4.208 4.550 0.001 0.000 0.280 576 Y C 2.440 178.424 175.900 0.140 0.000 1.163 576 Y CA 2.378 60.678 58.100 0.333 0.000 1.135 576 Y CB -0.363 38.264 38.460 0.278 0.000 0.970 576 Y HN 0.273 nan 8.280 nan 0.000 0.498 577 A N -0.339 122.693 122.820 0.354 0.000 1.930 577 A HA -0.210 4.111 4.320 0.001 0.000 0.217 577 A C 2.158 179.838 177.584 0.160 0.000 1.175 577 A CA 1.694 53.868 52.037 0.229 0.000 0.627 577 A CB -0.831 18.280 19.000 0.184 0.000 0.815 577 A HN 0.646 nan 8.150 nan 0.000 0.443 578 E N -0.167 120.130 120.200 0.163 0.000 2.085 578 E HA -0.150 4.200 4.350 0.001 0.000 0.194 578 E C 1.868 178.573 176.600 0.175 0.000 0.994 578 E CA 1.574 58.080 56.400 0.176 0.000 0.801 578 E CB -0.110 29.697 29.700 0.179 0.000 0.743 578 E HN 0.341 nan 8.360 nan 0.000 0.453 579 V N 1.217 121.159 119.914 0.046 0.000 2.358 579 V HA -0.230 3.890 4.120 0.001 0.000 0.246 579 V C 2.458 178.594 176.094 0.070 0.000 1.047 579 V CA 1.783 64.062 62.300 -0.035 0.000 1.035 579 V CB -0.535 31.193 31.823 -0.159 0.000 0.658 579 V HN 0.258 nan 8.190 nan 0.000 0.452 580 R N 0.317 120.815 120.500 -0.003 0.000 2.083 580 R HA -0.161 4.179 4.340 0.001 0.000 0.237 580 R C 2.203 178.556 176.300 0.089 0.000 1.137 580 R CA 1.646 57.751 56.100 0.009 0.000 0.951 580 R CB -0.656 29.638 30.300 -0.010 0.000 0.851 580 R HN 0.514 nan 8.270 nan 0.000 0.434 581 N N 0.304 119.081 118.700 0.128 0.000 2.223 581 N HA -0.215 4.526 4.740 0.001 0.000 0.185 581 N C 1.368 176.986 175.510 0.181 0.000 1.016 581 N CA 0.856 53.989 53.050 0.138 0.000 0.863 581 N CB -0.333 38.242 38.487 0.146 0.000 0.983 581 N HN 0.423 nan 8.380 nan 0.000 0.429 582 W N 1.809 123.154 121.300 0.076 0.000 2.355 582 W HA -0.146 4.514 4.660 0.001 0.000 0.309 582 W C 1.462 178.026 176.519 0.074 0.000 1.206 582 W CA 1.052 58.463 57.345 0.109 0.000 1.284 582 W CB -0.152 29.436 29.460 0.214 0.000 1.145 582 W HN -0.164 nan 8.180 nan 0.000 0.502 583 V N 1.579 121.602 119.914 0.180 0.000 2.427 583 V HA -0.270 3.850 4.120 0.001 0.000 0.248 583 V C 2.510 178.605 176.094 0.001 0.000 1.051 583 V CA 1.986 64.325 62.300 0.065 0.000 1.048 583 V CB -0.948 30.934 31.823 0.099 0.000 0.666 583 V HN 0.134 nan 8.190 nan 0.000 0.456 584 R N 0.314 120.825 120.500 0.019 0.000 2.091 584 R HA -0.213 4.128 4.340 0.001 0.000 0.238 584 R C 2.469 178.749 176.300 -0.033 0.000 1.136 584 R CA 1.838 57.944 56.100 0.009 0.000 0.959 584 R CB -0.368 29.945 30.300 0.023 0.000 0.856 584 R HN 0.490 nan 8.270 nan 0.000 0.437 585 K N 0.720 121.061 120.400 -0.100 0.000 2.062 585 K HA -0.130 4.190 4.320 0.001 0.000 0.205 585 K C 1.654 178.113 176.600 -0.235 0.000 1.051 585 K CA 1.179 57.359 56.287 -0.177 0.000 0.941 585 K CB 0.223 32.564 32.500 -0.265 0.000 0.719 585 K HN 0.043 nan 8.250 nan 0.000 0.440 586 E N 0.243 120.252 120.200 -0.319 0.000 2.152 586 E HA -0.064 4.286 4.350 0.001 0.000 0.192 586 E C 1.934 178.477 176.600 -0.096 0.000 0.983 586 E CA 1.044 57.275 56.400 -0.282 0.000 0.818 586 E CB 0.241 29.738 29.700 -0.338 0.000 0.758 586 E HN 0.452 nan 8.360 nan 0.000 0.467 587 I N -1.821 118.745 120.570 -0.005 0.000 3.746 587 I HA 0.273 4.444 4.170 0.001 0.000 0.262 587 I C 0.914 177.178 176.117 0.244 0.000 1.153 587 I CA 0.382 61.763 61.300 0.135 0.000 1.395 587 I CB 1.128 39.225 38.000 0.161 0.000 1.589 587 I HN 0.034 nan 8.210 nan 0.000 0.441 588 G N 0.472 109.355 108.800 0.137 0.000 2.350 588 G HA2 0.093 4.054 3.960 0.001 0.000 0.305 588 G HA3 0.093 4.054 3.960 0.001 0.000 0.305 588 G C -2.761 172.172 174.900 0.056 0.000 1.479 588 G CA -0.683 44.479 45.100 0.104 0.000 0.949 588 G HN -0.239 nan 8.290 nan 0.000 0.651 589 P HA -0.076 nan 4.420 nan 0.000 0.217 589 P C 2.323 179.644 177.300 0.036 0.000 1.148 589 P CA 1.602 64.720 63.100 0.031 0.000 0.828 589 P CB 0.009 31.724 31.700 0.024 0.000 0.783 590 L N -3.434 117.807 121.223 0.030 0.000 2.191 590 L HA 0.050 4.390 4.340 0.001 0.000 0.212 590 L C 1.762 178.649 176.870 0.028 0.000 1.103 590 L CA 1.955 56.805 54.840 0.017 0.000 0.769 590 L CB -1.071 40.901 42.059 -0.144 0.000 0.908 590 L HN -0.147 nan 8.230 nan 0.000 0.438 591 A N -0.198 122.648 122.820 0.042 0.000 2.465 591 A HA 0.284 4.605 4.320 0.001 0.000 0.255 591 A C 0.681 178.286 177.584 0.035 0.000 1.274 591 A CA -0.195 51.872 52.037 0.051 0.000 0.920 591 A CB -0.478 18.576 19.000 0.090 0.000 1.033 591 A HN 0.397 nan 8.150 nan 0.000 0.516 592 T N 3.365 117.933 114.554 0.024 0.000 2.817 592 T HA 0.322 4.672 4.350 0.001 0.000 0.295 592 T C -2.598 172.092 174.700 -0.017 0.000 0.958 592 T CA -0.569 61.536 62.100 0.009 0.000 1.157 592 T CB 0.479 69.354 68.868 0.012 0.000 0.898 592 T HN 0.151 nan 8.240 nan 0.000 0.536 593 P HA 0.092 nan 4.420 nan 0.000 0.266 593 P C 0.437 177.682 177.300 -0.093 0.000 1.195 593 P CA -0.096 62.954 63.100 -0.084 0.000 0.768 593 P CB 0.556 32.166 31.700 -0.150 0.000 0.838 594 D N 0.717 121.066 120.400 -0.084 0.000 2.271 594 D HA 0.043 4.683 4.640 0.001 0.000 0.206 594 D C 0.203 176.461 176.300 -0.070 0.000 0.967 594 D CA 1.064 55.029 54.000 -0.058 0.000 0.867 594 D CB 0.545 41.313 40.800 -0.054 0.000 0.960 594 D HN 0.114 nan 8.370 nan 0.000 0.509 595 V N 1.555 121.355 119.914 -0.189 0.000 2.760 595 V HA 0.348 4.468 4.120 0.001 0.000 0.309 595 V C -0.575 175.191 176.094 -0.547 0.000 1.077 595 V CA -0.740 61.364 62.300 -0.326 0.000 0.910 595 V CB 2.832 34.324 31.823 -0.552 0.000 1.008 595 V HN -0.073 nan 8.190 nan 0.000 0.424 596 L N 3.677 124.530 121.223 -0.617 0.000 2.325 596 L HA 0.560 4.900 4.340 0.001 0.000 0.281 596 L C -0.511 175.889 176.870 -0.784 0.000 1.004 596 L CA -0.525 53.791 54.840 -0.873 0.000 0.823 596 L CB 1.463 42.674 42.059 -1.413 0.000 1.236 596 L HN 0.759 nan 8.230 nan 0.000 0.415 597 H N 2.985 121.587 119.070 -0.781 0.000 2.661 597 H HA 0.265 4.822 4.556 0.001 0.000 0.290 597 H C -1.200 173.985 175.328 -0.240 0.000 1.082 597 H CA -0.752 54.997 56.048 -0.498 0.000 1.234 597 H CB 0.557 29.999 29.762 -0.533 0.000 1.387 597 H HN 0.498 nan 8.280 nan 0.000 0.476 598 W N 4.676 126.073 121.300 0.162 0.000 2.303 598 W HA 0.256 4.917 4.660 0.001 0.000 0.318 598 W C 0.398 177.085 176.519 0.281 0.000 1.362 598 W CA -0.311 57.132 57.345 0.164 0.000 1.234 598 W CB 1.054 30.564 29.460 0.083 0.000 1.248 598 W HN 0.429 nan 8.180 nan 0.000 0.546 599 T N 2.039 116.883 114.554 0.484 0.000 2.889 599 T HA 0.147 4.497 4.350 0.001 0.000 0.315 599 T C -0.374 174.473 174.700 0.244 0.000 1.291 599 T CA -0.666 61.656 62.100 0.370 0.000 1.028 599 T CB 1.405 70.505 68.868 0.387 0.000 1.235 599 T HN 0.371 nan 8.240 nan 0.000 0.491 600 D N 1.733 122.242 120.400 0.183 0.000 2.462 600 D HA 0.262 4.902 4.640 0.001 0.000 0.221 600 D C 0.254 176.615 176.300 0.101 0.000 1.173 600 D CA 0.061 54.140 54.000 0.132 0.000 0.831 600 D CB 0.762 41.624 40.800 0.104 0.000 1.001 600 D HN 0.328 nan 8.370 nan 0.000 0.499 601 S N 0.421 116.183 115.700 0.103 0.000 2.661 601 S HA 0.249 4.719 4.470 0.001 0.000 0.245 601 S C 0.611 175.216 174.600 0.009 0.000 1.117 601 S CA -0.418 57.819 58.200 0.062 0.000 1.091 601 S CB 0.562 63.811 63.200 0.081 0.000 0.887 601 S HN 0.171 nan 8.310 nan 0.000 0.491 602 L N 3.866 125.087 121.223 -0.003 0.000 2.540 602 L HA 0.168 4.508 4.340 0.001 0.000 0.276 602 L C -2.052 174.778 176.870 -0.068 0.000 1.212 602 L CA -1.191 53.607 54.840 -0.071 0.000 0.893 602 L CB 0.043 42.076 42.059 -0.043 0.000 1.138 602 L HN 0.077 nan 8.230 nan 0.000 0.491 603 P HA 0.256 nan 4.420 nan 0.000 0.282 603 P C -1.184 176.078 177.300 -0.063 0.000 1.262 603 P CA -0.360 62.693 63.100 -0.077 0.000 0.773 603 P CB 0.939 32.580 31.700 -0.098 0.000 0.879 604 K N 1.019 121.397 120.400 -0.038 0.000 2.385 604 K HA 0.462 4.783 4.320 0.001 0.000 0.248 604 K C 0.594 177.182 176.600 -0.021 0.000 0.955 604 K CA -0.707 55.563 56.287 -0.028 0.000 0.816 604 K CB 1.906 34.396 32.500 -0.017 0.000 1.250 604 K HN 0.424 nan 8.250 nan 0.000 0.434 605 T N -1.412 113.131 114.554 -0.019 0.000 2.698 605 T HA 0.139 4.490 4.350 0.001 0.000 0.295 605 T C 1.072 175.767 174.700 -0.009 0.000 1.007 605 T CA -0.233 61.859 62.100 -0.014 0.000 0.980 605 T CB 0.645 69.505 68.868 -0.014 0.000 1.036 605 T HN 0.553 nan 8.240 nan 0.000 0.526 606 R N 0.094 120.590 120.500 -0.007 0.000 2.235 606 R HA 0.030 4.371 4.340 0.001 0.000 0.213 606 R C 2.312 178.610 176.300 -0.003 0.000 1.059 606 R CA 1.010 57.108 56.100 -0.004 0.000 0.997 606 R CB -0.155 30.143 30.300 -0.003 0.000 0.884 606 R HN 0.814 nan 8.270 nan 0.000 0.462 607 S N -1.237 114.460 115.700 -0.004 0.000 2.577 607 S HA 0.179 4.649 4.470 0.001 0.000 0.219 607 S C 1.211 175.809 174.600 -0.003 0.000 0.962 607 S CA 0.204 58.402 58.200 -0.003 0.000 0.921 607 S CB 0.932 64.129 63.200 -0.005 0.000 0.789 607 S HN 0.421 nan 8.310 nan 0.000 0.497 608 G N -0.030 108.768 108.800 -0.004 0.000 2.157 608 G HA2 -0.093 3.868 3.960 0.001 0.000 0.239 608 G HA3 -0.093 3.868 3.960 0.001 0.000 0.239 608 G C 0.163 175.059 174.900 -0.007 0.000 0.982 608 G CA 0.045 45.143 45.100 -0.003 0.000 0.650 608 G HN 1.086 nan 8.290 nan 0.000 0.527 609 K N 0.912 121.306 120.400 -0.010 0.000 2.322 609 K HA 0.684 5.005 4.320 0.001 0.000 0.283 609 K C 0.691 177.279 176.600 -0.021 0.000 1.042 609 K CA -0.163 56.116 56.287 -0.013 0.000 0.958 609 K CB 0.861 33.353 32.500 -0.014 0.000 0.984 609 K HN 0.876 nan 8.250 nan 0.000 0.473 610 I N 2.482 123.038 120.570 -0.024 0.000 2.556 610 I HA 0.327 4.497 4.170 0.001 0.000 0.284 610 I C 0.632 176.720 176.117 -0.047 0.000 1.114 610 I CA 0.013 61.289 61.300 -0.040 0.000 1.418 610 I CB 0.593 38.569 38.000 -0.040 0.000 1.394 610 I HN 0.855 nan 8.210 nan 0.000 0.552 611 M N 7.939 127.501 119.600 -0.064 0.000 2.435 611 M HA 0.316 4.796 4.480 0.001 0.000 0.344 611 M C 0.855 177.105 176.300 -0.082 0.000 1.329 611 M CA -0.098 55.164 55.300 -0.062 0.000 1.320 611 M CB -0.712 31.853 32.600 -0.058 0.000 1.309 611 M HN 0.733 nan 8.290 nan 0.000 0.451 612 R N 1.107 121.569 120.500 -0.063 0.000 2.148 612 R HA -0.021 4.320 4.340 0.001 0.000 0.223 612 R C 2.786 179.051 176.300 -0.058 0.000 1.088 612 R CA 1.662 57.724 56.100 -0.064 0.000 0.985 612 R CB -0.141 30.140 30.300 -0.032 0.000 0.880 612 R HN 0.880 nan 8.270 nan 0.000 0.451 613 R N 1.104 121.578 120.500 -0.044 0.000 2.096 613 R HA -0.106 4.235 4.340 0.001 0.000 0.235 613 R C 1.959 178.233 176.300 -0.044 0.000 1.127 613 R CA 1.754 57.835 56.100 -0.032 0.000 0.968 613 R CB -1.275 29.012 30.300 -0.021 0.000 0.861 613 R HN 0.314 nan 8.270 nan 0.000 0.440 614 I N 0.165 120.698 120.570 -0.061 0.000 2.252 614 I HA -0.118 4.053 4.170 0.001 0.000 0.245 614 I C 2.258 178.317 176.117 -0.097 0.000 1.102 614 I CA 1.223 62.482 61.300 -0.068 0.000 1.385 614 I CB -0.002 37.956 38.000 -0.070 0.000 1.064 614 I HN 0.337 nan 8.210 nan 0.000 0.414 615 L N 0.166 121.291 121.223 -0.164 0.000 2.046 615 L HA -0.215 4.126 4.340 0.001 0.000 0.208 615 L C 2.771 179.614 176.870 -0.045 0.000 1.077 615 L CA 1.630 56.327 54.840 -0.239 0.000 0.747 615 L CB -0.754 41.039 42.059 -0.444 0.000 0.896 615 L HN 0.263 nan 8.230 nan 0.000 0.432 616 R N 0.822 121.297 120.500 -0.042 0.000 2.083 616 R HA -0.227 4.113 4.340 0.001 0.000 0.237 616 R C 2.653 178.926 176.300 -0.044 0.000 1.137 616 R CA 2.388 58.471 56.100 -0.029 0.000 0.951 616 R CB -0.204 30.086 30.300 -0.018 0.000 0.851 616 R HN 0.264 nan 8.270 nan 0.000 0.434 617 K N 0.629 121.008 120.400 -0.035 0.000 2.062 617 K HA -0.041 4.279 4.320 0.001 0.000 0.205 617 K C 1.975 178.559 176.600 -0.026 0.000 1.051 617 K CA 1.596 57.866 56.287 -0.027 0.000 0.941 617 K CB -0.785 31.704 32.500 -0.019 0.000 0.719 617 K HN 0.293 nan 8.250 nan 0.000 0.440 618 I N 0.784 121.345 120.570 -0.015 0.000 2.179 618 I HA -0.230 3.940 4.170 0.001 0.000 0.242 618 I C 3.011 179.108 176.117 -0.034 0.000 1.088 618 I CA 1.240 62.551 61.300 0.018 0.000 1.357 618 I CB -0.246 37.800 38.000 0.076 0.000 1.051 618 I HN 0.391 nan 8.210 nan 0.000 0.409 619 A N 0.583 123.310 122.820 -0.155 0.000 1.972 619 A HA -0.116 4.204 4.320 0.001 0.000 0.219 619 A C 2.432 179.843 177.584 -0.290 0.000 1.169 619 A CA 1.723 53.431 52.037 -0.548 0.000 0.635 619 A CB -0.713 17.664 19.000 -1.038 0.000 0.810 619 A HN 0.446 nan 8.150 nan 0.000 0.446 620 A N -2.120 120.615 122.820 -0.143 0.000 2.168 620 A HA 0.371 4.691 4.320 0.001 0.000 0.215 620 A C 1.935 179.503 177.584 -0.026 0.000 1.152 620 A CA 1.441 53.441 52.037 -0.061 0.000 0.716 620 A CB -0.751 18.227 19.000 -0.037 0.000 0.794 620 A HN 1.852 nan 8.150 nan 0.000 0.465 621 G N -2.825 105.963 108.800 -0.021 0.000 2.195 621 G HA2 -0.007 3.953 3.960 0.001 0.000 0.224 621 G HA3 -0.007 3.953 3.960 0.001 0.000 0.224 621 G C 0.261 175.165 174.900 0.006 0.000 0.990 621 G CA 1.016 46.119 45.100 0.005 0.000 0.639 621 G HN 1.102 nan 8.290 nan 0.000 0.514 634 D N 0.530 120.929 120.400 -0.002 0.000 2.420 634 D HA 0.572 5.212 4.640 0.001 0.000 0.255 634 D C -2.156 174.145 176.300 0.000 0.000 1.185 634 D CA -1.620 52.382 54.000 0.002 0.000 0.904 634 D CB 1.667 42.471 40.800 0.006 0.000 1.102 634 D HN 0.049 nan 8.370 nan 0.000 0.534 635 P HA 0.084 nan 4.420 nan 0.000 0.226 635 P C 1.368 178.671 177.300 0.005 0.000 1.153 635 P CA 0.412 63.512 63.100 -0.000 0.000 0.777 635 P CB 0.352 32.053 31.700 0.000 0.000 0.794 636 G N 0.382 109.187 108.800 0.009 0.000 2.625 636 G HA2 -0.135 3.825 3.960 0.001 0.000 0.214 636 G HA3 -0.135 3.825 3.960 0.001 0.000 0.214 636 G C 1.441 176.353 174.900 0.021 0.000 1.132 636 G CA 0.651 45.760 45.100 0.015 0.000 0.782 636 G HN 0.355 nan 8.290 nan 0.000 0.538 637 V N -1.367 118.556 119.914 0.016 0.000 2.626 637 V HA -0.108 4.012 4.120 0.001 0.000 0.252 637 V C 2.552 178.661 176.094 0.025 0.000 1.067 637 V CA 1.418 63.730 62.300 0.021 0.000 1.081 637 V CB -0.602 31.224 31.823 0.005 0.000 0.686 637 V HN 0.118 nan 8.190 nan 0.000 0.468 638 V N 0.712 120.634 119.914 0.014 0.000 2.295 638 V HA -0.272 3.849 4.120 0.001 0.000 0.246 638 V C 2.760 178.878 176.094 0.039 0.000 1.049 638 V CA 2.625 64.934 62.300 0.017 0.000 1.024 638 V CB -0.819 31.008 31.823 0.006 0.000 0.648 638 V HN 0.706 nan 8.190 nan 0.000 0.447 639 E N 0.583 120.806 120.200 0.038 0.000 2.072 639 E HA -0.237 4.113 4.350 0.001 0.000 0.191 639 E C 2.443 179.082 176.600 0.066 0.000 0.985 639 E CA 1.731 58.158 56.400 0.046 0.000 0.801 639 E CB -0.093 29.628 29.700 0.035 0.000 0.750 639 E HN 0.637 nan 8.360 nan 0.000 0.452 640 K N 0.897 121.339 120.400 0.071 0.000 2.057 640 K HA -0.107 4.214 4.320 0.001 0.000 0.207 640 K C 2.086 178.776 176.600 0.150 0.000 1.049 640 K CA 1.451 57.795 56.287 0.096 0.000 0.931 640 K CB -1.072 31.481 32.500 0.089 0.000 0.714 640 K HN 0.141 nan 8.250 nan 0.000 0.440 641 L N 0.125 121.442 121.223 0.157 0.000 2.083 641 L HA -0.077 4.263 4.340 0.001 0.000 0.209 641 L C 2.767 179.801 176.870 0.275 0.000 1.083 641 L CA 0.920 55.910 54.840 0.250 0.000 0.752 641 L CB -0.378 41.767 42.059 0.143 0.000 0.899 641 L HN 0.277 nan 8.230 nan 0.000 0.433 642 L N -0.559 120.763 121.223 0.165 0.000 2.017 642 L HA -0.213 4.127 4.340 0.001 0.000 0.208 642 L C 2.596 179.539 176.870 0.121 0.000 1.073 642 L CA 1.362 56.282 54.840 0.133 0.000 0.745 642 L CB -0.413 41.695 42.059 0.083 0.000 0.894 642 L HN 0.281 nan 8.230 nan 0.000 0.432 643 E N -0.010 120.253 120.200 0.105 0.000 2.038 643 E HA -0.261 4.089 4.350 0.001 0.000 0.195 643 E C 2.071 178.718 176.600 0.079 0.000 1.000 643 E CA 1.492 57.940 56.400 0.080 0.000 0.803 643 E CB -0.091 29.651 29.700 0.070 0.000 0.750 643 E HN 0.495 nan 8.360 nan 0.000 0.448 644 E N 0.706 120.972 120.200 0.110 0.000 2.097 644 E HA -0.216 4.134 4.350 0.001 0.000 0.196 644 E C 2.100 178.662 176.600 -0.063 0.000 1.000 644 E CA 0.858 57.279 56.400 0.036 0.000 0.804 644 E CB 0.014 29.797 29.700 0.139 0.000 0.740 644 E HN 0.001 nan 8.360 nan 0.000 0.454 645 K N 0.758 121.225 120.400 0.112 0.000 2.057 645 K HA -0.159 4.162 4.320 0.001 0.000 0.206 645 K C 2.135 178.778 176.600 0.071 0.000 1.050 645 K CA 1.084 57.456 56.287 0.142 0.000 0.935 645 K CB -0.031 32.636 32.500 0.279 0.000 0.715 645 K HN 0.082 nan 8.250 nan 0.000 0.439 646 Q N 0.428 120.266 119.800 0.064 0.000 2.226 646 Q HA -0.024 4.316 4.340 0.001 0.000 0.204 646 Q C 0.597 176.609 176.000 0.020 0.000 0.975 646 Q CA 0.670 56.498 55.803 0.042 0.000 0.866 646 Q CB -0.128 28.635 28.738 0.041 0.000 0.915 646 Q HN 0.284 nan 8.270 nan 0.000 0.440 647 A N 0.000 122.823 122.820 0.005 0.000 2.254 647 A HA 0.000 4.320 4.320 0.001 0.000 0.244 647 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 647 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486