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 3aba_1_A DATA FIRST_RESID 7 DATA SEQUENCE DAPTVPKARS CPFLPPDGIA DIRAAAPVTR ATFTSGHEAW LVTGYEEVRA DATA SEQUENCE LLRDSSFSVQ VPHALHTQDG VVTQKPGRGS LLWQDEPEHT SDRKLLAKEF DATA SEQUENCE TVRRMQALRP NIQRIVDEHL DAIEARGGPV DLVKTFANAV PSMVISDLFG DATA SEQUENCE VPVERRAEFQ DIAEAMMRVD QDAAATEAAG MRLGGLLYQL VQERRANPGD DATA SEQUENCE DLISALITTE DPDGVVDDMF LMNAAGTLLI AAHDTTACMI GLGTALLLDS DATA SEQUENCE PDQLALLRED PSLVGNAVEE LLRYLTIGQF GGERVATRDV ELGGVRIAKG DATA SEQUENCE EQVVAHVLAA DFDPAFVEEP ERFDITRRPA PHLAFGFGAH QCIGQQLARI DATA SEQUENCE ELQIVFETLF RRLPGLRLAK PVEELRFRHD MVFYGVHELP VTWHHHH 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.266 176.300 -0.057 0.000 2.045 7 D CA 0.000 53.969 54.000 -0.052 0.000 0.868 7 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 8 A N 3.060 125.839 122.820 -0.068 0.000 2.531 8 A HA 0.459 4.777 4.320 -0.003 0.000 0.236 8 A C -2.136 175.398 177.584 -0.083 0.000 1.062 8 A CA -0.488 51.502 52.037 -0.077 0.000 0.760 8 A CB -0.153 18.790 19.000 -0.096 0.000 0.995 8 A HN 0.295 nan 8.150 nan 0.000 0.501 9 P HA 0.144 nan 4.420 nan 0.000 0.267 9 P C 0.392 177.615 177.300 -0.127 0.000 1.200 9 P CA 0.184 63.231 63.100 -0.088 0.000 0.772 9 P CB 0.285 31.939 31.700 -0.078 0.000 0.855 10 T N -0.914 113.567 114.554 -0.121 0.000 2.926 10 T HA 0.149 4.498 4.350 -0.003 0.000 0.307 10 T C 0.342 174.924 174.700 -0.196 0.000 1.059 10 T CA -0.697 61.308 62.100 -0.157 0.000 1.122 10 T CB -0.086 68.715 68.868 -0.111 0.000 0.972 10 T HN 0.075 nan 8.240 nan 0.000 0.545 11 V N 5.223 124.959 119.914 -0.297 0.000 2.599 11 V HA 0.170 4.288 4.120 -0.003 0.000 0.300 11 V C -1.721 174.296 176.094 -0.129 0.000 1.034 11 V CA -1.258 60.885 62.300 -0.262 0.000 1.115 11 V CB -0.240 31.360 31.823 -0.370 0.000 0.934 11 V HN 0.851 nan 8.190 nan 0.000 0.485 12 P HA 0.180 nan 4.420 nan 0.000 0.265 12 P C 0.179 177.463 177.300 -0.026 0.000 1.193 12 P CA 0.062 63.118 63.100 -0.073 0.000 0.765 12 P CB 0.589 32.234 31.700 -0.092 0.000 0.823 13 K N 1.458 121.848 120.400 -0.017 0.000 2.504 13 K HA 0.256 4.574 4.320 -0.003 0.000 0.203 13 K C 0.555 177.142 176.600 -0.022 0.000 1.350 13 K CA -0.101 56.204 56.287 0.030 0.000 0.953 13 K CB 0.584 33.121 32.500 0.062 0.000 1.243 13 K HN 0.428 nan 8.250 nan 0.000 0.534 14 A N 2.326 125.116 122.820 -0.049 0.000 2.450 14 A HA 0.265 4.584 4.320 -0.003 0.000 0.255 14 A C -0.464 177.058 177.584 -0.102 0.000 1.096 14 A CA 0.090 52.085 52.037 -0.070 0.000 0.778 14 A CB 0.116 19.076 19.000 -0.066 0.000 1.031 14 A HN 0.186 nan 8.150 nan 0.000 0.494 15 R N 2.112 122.538 120.500 -0.124 0.000 2.360 15 R HA 0.301 4.639 4.340 -0.003 0.000 0.318 15 R C 0.871 177.084 176.300 -0.146 0.000 0.950 15 R CA 0.225 56.227 56.100 -0.164 0.000 0.837 15 R CB 1.597 31.760 30.300 -0.229 0.000 1.165 15 R HN 0.895 nan 8.270 nan 0.000 0.458 16 S N 0.436 116.062 115.700 -0.123 0.000 2.470 16 S HA 0.011 4.479 4.470 -0.003 0.000 0.225 16 S C 0.658 175.193 174.600 -0.109 0.000 1.006 16 S CA -0.072 58.069 58.200 -0.098 0.000 0.934 16 S CB 0.275 63.433 63.200 -0.070 0.000 0.778 16 S HN 0.516 nan 8.310 nan 0.000 0.517 17 C N 3.782 123.004 119.300 -0.130 0.000 2.301 17 C HA 0.564 5.022 4.460 -0.003 0.000 0.323 17 C C -1.479 173.369 174.990 -0.237 0.000 1.265 17 C CA -1.490 57.452 59.018 -0.127 0.000 1.503 17 C CB 1.432 29.147 27.740 -0.042 0.000 2.195 17 C HN 0.363 nan 8.230 nan 0.000 0.477 18 P HA -0.019 nan 4.420 nan 0.000 0.233 18 P C 0.606 177.567 177.300 -0.565 0.000 1.167 18 P CA 1.068 63.715 63.100 -0.756 0.000 0.770 18 P CB 0.047 30.788 31.700 -1.598 0.000 0.837 19 F N -0.854 119.056 119.950 -0.066 0.000 2.693 19 F HA 0.267 4.793 4.527 -0.003 0.000 0.303 19 F C 1.305 177.103 175.800 -0.003 0.000 1.097 19 F CA -0.011 58.044 58.000 0.092 0.000 1.330 19 F CB -0.196 38.914 39.000 0.185 0.000 1.067 19 F HN -0.220 nan 8.300 nan 0.000 0.565 20 L N -0.075 121.115 121.223 -0.054 0.000 2.303 20 L HA 0.505 4.843 4.340 -0.003 0.000 0.266 20 L C -2.233 174.373 176.870 -0.439 0.000 1.011 20 L CA -2.280 52.353 54.840 -0.345 0.000 0.818 20 L CB 1.743 43.643 42.059 -0.265 0.000 1.326 20 L HN -0.287 nan 8.230 nan 0.000 0.435 21 P HA 0.106 nan 4.420 nan 0.000 0.271 21 P C -2.545 174.564 177.300 -0.317 0.000 1.233 21 P CA -0.965 61.861 63.100 -0.456 0.000 0.789 21 P CB -0.273 31.137 31.700 -0.484 0.000 0.951 22 P HA -0.078 nan 4.420 nan 0.000 0.261 22 P C 0.013 177.216 177.300 -0.161 0.000 1.173 22 P CA 0.792 63.789 63.100 -0.171 0.000 0.760 22 P CB 0.086 31.718 31.700 -0.113 0.000 0.783 23 D N 2.617 122.935 120.400 -0.136 0.000 2.158 23 D HA -0.161 4.477 4.640 -0.003 0.000 0.197 23 D C 2.147 178.386 176.300 -0.102 0.000 0.995 23 D CA 1.932 55.863 54.000 -0.115 0.000 0.846 23 D CB -0.513 40.233 40.800 -0.090 0.000 0.941 23 D HN 0.543 nan 8.370 nan 0.000 0.456 24 G N 0.239 108.980 108.800 -0.097 0.000 2.534 24 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.217 24 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.217 24 G C 1.453 176.293 174.900 -0.100 0.000 1.128 24 G CA -0.009 45.038 45.100 -0.088 0.000 0.784 24 G HN 0.151 nan 8.290 nan 0.000 0.542 25 I N 1.769 122.262 120.570 -0.129 0.000 2.208 25 I HA -0.194 3.975 4.170 -0.003 0.000 0.245 25 I C 3.215 179.266 176.117 -0.110 0.000 1.097 25 I CA 1.354 62.560 61.300 -0.157 0.000 1.363 25 I CB -1.092 36.777 38.000 -0.218 0.000 1.051 25 I HN 0.275 nan 8.210 nan 0.000 0.413 26 A N 0.666 123.434 122.820 -0.087 0.000 1.883 26 A HA -0.243 4.075 4.320 -0.003 0.000 0.217 26 A C 1.972 179.539 177.584 -0.029 0.000 1.186 26 A CA 2.161 54.171 52.037 -0.045 0.000 0.624 26 A CB -0.651 18.327 19.000 -0.036 0.000 0.822 26 A HN 0.366 nan 8.150 nan 0.000 0.444 27 D N -0.182 120.197 120.400 -0.035 0.000 2.178 27 D HA -0.071 4.567 4.640 -0.003 0.000 0.202 27 D C 1.839 178.126 176.300 -0.021 0.000 0.974 27 D CA 0.929 54.916 54.000 -0.023 0.000 0.841 27 D CB -0.299 40.485 40.800 -0.026 0.000 0.953 27 D HN 0.555 nan 8.370 nan 0.000 0.478 28 I N 0.416 120.964 120.570 -0.037 0.000 2.202 28 I HA -0.216 3.952 4.170 -0.003 0.000 0.242 28 I C 2.608 178.717 176.117 -0.013 0.000 1.091 28 I CA 0.806 62.088 61.300 -0.031 0.000 1.368 28 I CB -0.188 37.778 38.000 -0.057 0.000 1.058 28 I HN -0.080 nan 8.210 nan 0.000 0.410 29 R N 1.328 121.815 120.500 -0.022 0.000 2.083 29 R HA -0.194 4.144 4.340 -0.003 0.000 0.237 29 R C 2.386 178.699 176.300 0.021 0.000 1.137 29 R CA 1.737 57.838 56.100 0.003 0.000 0.951 29 R CB -0.279 30.025 30.300 0.006 0.000 0.851 29 R HN 0.358 nan 8.270 nan 0.000 0.434 30 A N 0.432 123.262 122.820 0.016 0.000 1.902 30 A HA -0.103 4.215 4.320 -0.003 0.000 0.217 30 A C 2.278 179.875 177.584 0.021 0.000 1.181 30 A CA 1.797 53.847 52.037 0.021 0.000 0.623 30 A CB -0.639 18.370 19.000 0.016 0.000 0.818 30 A HN 0.559 nan 8.150 nan 0.000 0.443 31 A N -1.542 121.288 122.820 0.017 0.000 1.935 31 A HA 0.558 4.876 4.320 -0.003 0.000 0.214 31 A C 1.194 178.797 177.584 0.031 0.000 1.178 31 A CA 1.405 53.455 52.037 0.021 0.000 0.640 31 A CB -0.197 18.812 19.000 0.015 0.000 0.825 31 A HN 1.527 nan 8.150 nan 0.000 0.447 32 A N -0.702 122.139 122.820 0.036 0.000 2.893 32 A HA 0.556 4.874 4.320 -0.003 0.000 0.298 32 A C -2.383 175.238 177.584 0.061 0.000 1.227 32 A CA -0.520 51.550 52.037 0.055 0.000 0.845 32 A CB 0.458 19.499 19.000 0.069 0.000 1.430 32 A HN 0.078 nan 8.150 nan 0.000 0.493 33 P HA 0.071 nan 4.420 nan 0.000 0.242 33 P C 0.026 177.368 177.300 0.070 0.000 1.197 33 P CA 0.686 63.817 63.100 0.052 0.000 0.765 33 P CB 0.307 32.032 31.700 0.043 0.000 0.936 34 V N -0.506 119.460 119.914 0.087 0.000 2.482 34 V HA 0.486 4.604 4.120 -0.003 0.000 0.295 34 V C -0.143 176.108 176.094 0.262 0.000 1.026 34 V CA -0.183 62.198 62.300 0.135 0.000 0.856 34 V CB 1.861 33.685 31.823 0.003 0.000 1.001 34 V HN -0.049 nan 8.190 nan 0.000 0.424 35 T N 4.253 119.050 114.554 0.406 0.000 2.853 35 T HA 0.478 4.827 4.350 -0.003 0.000 0.311 35 T C -0.947 173.940 174.700 0.312 0.000 1.307 35 T CA -0.790 61.536 62.100 0.376 0.000 1.019 35 T CB 1.624 70.596 68.868 0.173 0.000 1.264 35 T HN 0.530 nan 8.240 nan 0.000 0.497 36 R N 1.428 121.953 120.500 0.041 0.000 2.539 36 R HA 0.790 5.129 4.340 -0.003 0.000 0.275 36 R C -0.188 176.069 176.300 -0.072 0.000 1.077 36 R CA -0.362 55.625 56.100 -0.188 0.000 1.097 36 R CB 0.769 30.870 30.300 -0.332 0.000 1.018 36 R HN 0.759 nan 8.270 nan 0.000 0.483 37 A N 1.015 123.802 122.820 -0.055 0.000 2.606 37 A HA 0.535 4.854 4.320 -0.003 0.000 0.293 37 A C -0.951 176.550 177.584 -0.139 0.000 1.082 37 A CA -0.644 51.298 52.037 -0.158 0.000 0.685 37 A CB 1.805 20.606 19.000 -0.333 0.000 1.284 37 A HN 0.510 nan 8.150 nan 0.000 0.408 38 T N 1.490 115.921 114.554 -0.206 0.000 2.795 38 T HA 0.615 4.963 4.350 -0.003 0.000 0.282 38 T C -0.567 173.996 174.700 -0.228 0.000 0.980 38 T CA 0.281 62.327 62.100 -0.089 0.000 1.012 38 T CB 0.054 68.880 68.868 -0.071 0.000 0.936 38 T HN 0.335 nan 8.240 nan 0.000 0.457 39 F N 0.558 120.501 119.950 -0.012 0.000 2.403 39 F HA 0.300 4.825 4.527 -0.002 0.000 0.326 39 F C 2.316 178.105 175.800 -0.017 0.000 1.099 39 F CA -0.813 57.196 58.000 0.015 0.000 1.036 39 F CB 0.352 39.369 39.000 0.029 0.000 1.336 39 F HN 0.472 nan 8.300 nan 0.000 0.497 40 T N -0.595 114.066 114.554 0.179 0.000 2.737 40 T HA -0.208 4.140 4.350 -0.003 0.000 0.269 40 T C 2.004 176.723 174.700 0.032 0.000 1.040 40 T CA 1.981 64.110 62.100 0.047 0.000 1.142 40 T CB -0.490 68.367 68.868 -0.018 0.000 0.861 40 T HN 0.613 nan 8.240 nan 0.000 0.456 41 S N 0.278 116.022 115.700 0.072 0.000 2.515 41 S HA 0.222 4.690 4.470 -0.003 0.000 0.231 41 S C 1.964 176.504 174.600 -0.100 0.000 0.987 41 S CA 0.923 59.143 58.200 0.034 0.000 0.936 41 S CB -0.413 62.893 63.200 0.178 0.000 0.766 41 S HN 0.781 nan 8.310 nan 0.000 0.528 42 G N 0.203 108.963 108.800 -0.066 0.000 2.195 42 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.246 42 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.246 42 G C -0.073 174.701 174.900 -0.209 0.000 0.984 42 G CA 0.154 45.162 45.100 -0.153 0.000 0.633 42 G HN 0.707 nan 8.290 nan 0.000 0.525 43 H N 1.144 120.166 119.070 -0.080 0.000 2.615 43 H HA 0.565 5.119 4.556 -0.003 0.000 0.363 43 H C 0.479 175.804 175.328 -0.006 0.000 1.148 43 H CA 0.213 56.173 56.048 -0.147 0.000 1.401 43 H CB 0.713 30.257 29.762 -0.364 0.000 1.461 43 H HN 0.389 nan 8.280 nan 0.000 0.588 44 E N 0.786 121.037 120.200 0.086 0.000 2.266 44 E HA 0.605 4.954 4.350 -0.003 0.000 0.277 44 E C -0.696 175.933 176.600 0.049 0.000 1.018 44 E CA -0.640 55.808 56.400 0.081 0.000 0.840 44 E CB 1.536 31.214 29.700 -0.037 0.000 1.082 44 E HN 0.682 nan 8.360 nan 0.000 0.395 45 A N 2.509 125.394 122.820 0.108 0.000 2.524 45 A HA 0.475 4.794 4.320 -0.003 0.000 0.303 45 A C -2.049 175.534 177.584 -0.002 0.000 1.195 45 A CA -0.871 51.144 52.037 -0.037 0.000 0.651 45 A CB 0.536 19.439 19.000 -0.161 0.000 1.323 45 A HN 0.602 nan 8.150 nan 0.000 0.479 46 W N 0.061 121.470 121.300 0.181 0.000 2.338 46 W HA 0.554 5.212 4.660 -0.003 0.000 0.307 46 W C -0.183 176.498 176.519 0.270 0.000 1.167 46 W CA -0.015 57.443 57.345 0.189 0.000 1.208 46 W CB 1.472 31.004 29.460 0.119 0.000 1.228 46 W HN 0.528 nan 8.180 nan 0.000 0.499 47 L N 5.734 127.279 121.223 0.537 0.000 2.264 47 L HA 0.617 4.956 4.340 -0.003 0.000 0.289 47 L C -0.812 176.242 176.870 0.308 0.000 1.044 47 L CA -0.531 54.585 54.840 0.461 0.000 0.807 47 L CB 0.797 43.023 42.059 0.278 0.000 1.192 47 L HN 0.178 nan 8.230 nan 0.000 0.425 48 V N 4.764 124.828 119.914 0.250 0.000 2.378 48 V HA 0.421 4.540 4.120 -0.003 0.000 0.288 48 V C 0.750 176.919 176.094 0.125 0.000 1.016 48 V CA 0.240 62.626 62.300 0.144 0.000 0.840 48 V CB 1.122 32.987 31.823 0.070 0.000 0.994 48 V HN 0.924 nan 8.190 nan 0.000 0.431 49 T N 0.280 114.880 114.554 0.076 0.000 2.959 49 T HA 0.257 4.606 4.350 -0.003 0.000 0.254 49 T C 0.876 175.610 174.700 0.055 0.000 1.003 49 T CA 0.477 62.604 62.100 0.044 0.000 0.950 49 T CB 0.558 69.402 68.868 -0.041 0.000 1.090 49 T HN 0.756 nan 8.240 nan 0.000 0.503 50 G N 0.059 108.887 108.800 0.048 0.000 2.420 50 G HA2 0.428 4.387 3.960 -0.003 0.000 0.284 50 G HA3 0.428 4.387 3.960 -0.003 0.000 0.284 50 G C 0.110 175.043 174.900 0.055 0.000 1.177 50 G CA -0.650 44.490 45.100 0.067 0.000 0.841 50 G HN 0.185 nan 8.290 nan 0.000 0.527 51 Y N 0.711 120.982 120.300 -0.048 0.000 2.114 51 Y HA -0.212 4.337 4.550 -0.001 0.000 0.284 51 Y C 2.640 178.445 175.900 -0.158 0.000 1.143 51 Y CA 2.591 60.603 58.100 -0.147 0.000 1.135 51 Y CB 0.093 38.444 38.460 -0.181 0.000 0.980 51 Y HN 0.693 nan 8.280 nan 0.000 0.499 52 E N -0.225 119.984 120.200 0.014 0.000 2.153 52 E HA -0.241 4.107 4.350 -0.003 0.000 0.194 52 E C 1.608 178.124 176.600 -0.138 0.000 0.988 52 E CA 1.611 57.961 56.400 -0.082 0.000 0.811 52 E CB -0.027 29.705 29.700 0.053 0.000 0.746 52 E HN 0.601 nan 8.360 nan 0.000 0.466 53 E N 0.040 120.188 120.200 -0.087 0.000 2.112 53 E HA -0.079 4.270 4.350 -0.003 0.000 0.190 53 E C 2.079 178.609 176.600 -0.117 0.000 0.979 53 E CA 0.844 57.199 56.400 -0.076 0.000 0.814 53 E CB -0.008 29.672 29.700 -0.035 0.000 0.762 53 E HN 0.084 nan 8.360 nan 0.000 0.460 54 V N 1.129 120.950 119.914 -0.153 0.000 2.343 54 V HA -0.266 3.853 4.120 -0.003 0.000 0.247 54 V C 2.122 178.079 176.094 -0.228 0.000 1.051 54 V CA 1.847 64.046 62.300 -0.169 0.000 1.036 54 V CB -0.387 31.346 31.823 -0.151 0.000 0.654 54 V HN 0.200 nan 8.190 nan 0.000 0.451 55 R N 0.069 120.321 120.500 -0.413 0.000 2.075 55 R HA -0.095 4.244 4.340 -0.003 0.000 0.232 55 R C 2.448 178.714 176.300 -0.058 0.000 1.126 55 R CA 1.446 57.274 56.100 -0.453 0.000 0.963 55 R CB -0.579 29.197 30.300 -0.872 0.000 0.858 55 R HN 0.534 nan 8.270 nan 0.000 0.435 56 A N 1.487 124.262 122.820 -0.074 0.000 1.873 56 A HA -0.155 4.163 4.320 -0.003 0.000 0.215 56 A C 2.103 179.707 177.584 0.033 0.000 1.186 56 A CA 1.034 53.082 52.037 0.018 0.000 0.616 56 A CB -0.529 18.471 19.000 -0.001 0.000 0.823 56 A HN 0.240 nan 8.150 nan 0.000 0.442 57 L N -0.039 121.151 121.223 -0.054 0.000 1.990 57 L HA -0.168 4.170 4.340 -0.003 0.000 0.213 57 L C 2.207 179.017 176.870 -0.101 0.000 1.072 57 L CA 2.012 56.745 54.840 -0.178 0.000 0.755 57 L CB -0.598 41.285 42.059 -0.293 0.000 0.889 57 L HN 0.402 nan 8.230 nan 0.000 0.432 58 L N -0.869 120.358 121.223 0.007 0.000 2.291 58 L HA -0.097 4.241 4.340 -0.003 0.000 0.214 58 L C 2.638 179.587 176.870 0.132 0.000 1.120 58 L CA 1.043 55.938 54.840 0.091 0.000 0.799 58 L CB -0.415 41.755 42.059 0.184 0.000 0.925 58 L HN 0.353 nan 8.230 nan 0.000 0.446 59 R N -0.111 120.494 120.500 0.176 0.000 2.275 59 R HA -0.051 4.287 4.340 -0.003 0.000 0.199 59 R C 0.461 176.810 176.300 0.082 0.000 0.989 59 R CA 0.145 56.293 56.100 0.081 0.000 1.016 59 R CB 0.177 30.578 30.300 0.169 0.000 0.918 59 R HN 0.079 nan 8.270 nan 0.000 0.473 60 D N 0.671 121.161 120.400 0.150 0.000 2.336 60 D HA -0.030 4.608 4.640 -0.003 0.000 0.249 60 D C 0.378 176.800 176.300 0.203 0.000 1.213 60 D CA 0.043 54.160 54.000 0.195 0.000 0.870 60 D CB 1.614 42.620 40.800 0.342 0.000 1.076 60 D HN 0.244 nan 8.370 nan 0.000 0.483 61 S N 1.516 117.276 115.700 0.101 0.000 2.650 61 S HA -0.093 4.376 4.470 -0.003 0.000 0.219 61 S C 1.492 176.120 174.600 0.048 0.000 0.960 61 S CA 0.404 58.649 58.200 0.075 0.000 0.925 61 S CB -0.231 62.988 63.200 0.033 0.000 0.775 61 S HN 0.330 nan 8.310 nan 0.000 0.525 62 S N -0.101 115.601 115.700 0.002 0.000 2.558 62 S HA 0.316 4.784 4.470 -0.003 0.000 0.217 62 S C 0.058 174.526 174.600 -0.219 0.000 0.975 62 S CA -0.689 57.434 58.200 -0.129 0.000 0.912 62 S CB -0.654 62.411 63.200 -0.225 0.000 0.776 62 S HN 0.407 nan 8.310 nan 0.000 0.526 63 F N 2.136 122.090 119.950 0.008 0.000 2.375 63 F HA 0.614 5.140 4.527 -0.002 0.000 0.333 63 F C 0.832 176.640 175.800 0.014 0.000 1.104 63 F CA -0.531 57.475 58.000 0.010 0.000 1.149 63 F CB 1.490 40.497 39.000 0.011 0.000 1.190 63 F HN 0.052 nan 8.300 nan 0.000 0.533 64 S N 0.692 116.512 115.700 0.200 0.000 2.578 64 S HA 0.483 4.951 4.470 -0.003 0.000 0.301 64 S C 0.417 175.071 174.600 0.090 0.000 1.091 64 S CA -0.765 57.505 58.200 0.116 0.000 1.032 64 S CB 1.484 64.727 63.200 0.071 0.000 1.064 64 S HN 0.550 nan 8.310 nan 0.000 0.508 65 V N 1.744 121.681 119.914 0.038 0.000 3.649 65 V HA 0.346 4.464 4.120 -0.003 0.000 0.275 65 V C 0.460 176.592 176.094 0.062 0.000 1.281 65 V CA 0.313 62.608 62.300 -0.008 0.000 1.143 65 V CB -1.002 30.722 31.823 -0.164 0.000 0.892 65 V HN 0.791 nan 8.190 nan 0.000 0.441 66 Q N 2.282 122.118 119.800 0.060 0.000 2.835 66 Q HA 0.434 4.773 4.340 -0.003 0.000 0.235 66 Q C -0.130 175.871 176.000 0.001 0.000 1.313 66 Q CA -0.290 55.542 55.803 0.049 0.000 1.053 66 Q CB 1.337 30.100 28.738 0.043 0.000 1.443 66 Q HN 0.738 nan 8.270 nan 0.000 0.576 67 V N -0.739 119.166 119.914 -0.016 0.000 2.997 67 V HA 0.433 4.552 4.120 -0.003 0.000 0.311 67 V C -1.749 174.250 176.094 -0.158 0.000 1.066 67 V CA -1.596 60.661 62.300 -0.072 0.000 1.039 67 V CB 0.969 32.753 31.823 -0.065 0.000 1.081 67 V HN 0.401 nan 8.190 nan 0.000 0.467 68 P HA 0.127 nan 4.420 nan 0.000 0.230 68 P C 0.023 176.943 177.300 -0.633 0.000 1.168 68 P CA 0.981 63.785 63.100 -0.494 0.000 0.793 68 P CB 0.190 31.490 31.700 -0.667 0.000 0.851 69 H N -0.522 118.410 119.070 -0.230 0.000 2.821 69 H HA 0.554 5.109 4.556 -0.003 0.000 0.373 69 H C -0.601 174.583 175.328 -0.240 0.000 1.165 69 H CA -1.072 54.788 56.048 -0.313 0.000 1.154 69 H CB 2.000 31.409 29.762 -0.589 0.000 1.765 69 H HN -0.113 nan 8.280 nan 0.000 0.549 70 A N 2.929 125.721 122.820 -0.047 0.000 2.582 70 A HA 0.283 4.601 4.320 -0.003 0.000 0.336 70 A C 1.094 178.600 177.584 -0.131 0.000 1.445 70 A CA -0.469 51.510 52.037 -0.096 0.000 0.997 70 A CB -0.541 18.430 19.000 -0.049 0.000 1.148 70 A HN 0.695 nan 8.150 nan 0.000 0.514 71 L N 1.114 122.152 121.223 -0.308 0.000 2.275 71 L HA -0.099 4.239 4.340 -0.003 0.000 0.215 71 L C 1.381 178.143 176.870 -0.180 0.000 1.119 71 L CA 0.732 55.389 54.840 -0.306 0.000 0.790 71 L CB -0.309 41.347 42.059 -0.671 0.000 0.919 71 L HN 0.722 nan 8.230 nan 0.000 0.443 72 H N -1.046 117.999 119.070 -0.042 0.000 2.539 72 H HA 0.141 4.695 4.556 -0.002 0.000 0.269 72 H C 0.919 176.147 175.328 -0.166 0.000 0.980 72 H CA 0.387 56.345 56.048 -0.150 0.000 1.152 72 H CB -0.249 29.393 29.762 -0.199 0.000 1.407 72 H HN 0.298 nan 8.280 nan 0.000 0.564 73 T N -2.925 111.626 114.554 -0.005 0.000 2.950 73 T HA 0.246 4.595 4.350 -0.003 0.000 0.288 73 T C 1.167 175.864 174.700 -0.004 0.000 1.035 73 T CA -0.829 61.265 62.100 -0.010 0.000 1.028 73 T CB 2.666 71.534 68.868 -0.000 0.000 1.109 73 T HN 0.019 nan 8.240 nan 0.000 0.514 74 Q N 0.193 119.988 119.800 -0.008 0.000 2.123 74 Q HA -0.078 4.260 4.340 -0.003 0.000 0.199 74 Q C 1.522 177.518 176.000 -0.007 0.000 0.966 74 Q CA 1.703 57.500 55.803 -0.010 0.000 0.845 74 Q CB -0.068 28.663 28.738 -0.011 0.000 0.907 74 Q HN 0.895 nan 8.270 nan 0.000 0.439 75 D N -1.273 119.128 120.400 0.002 0.000 2.347 75 D HA -0.010 4.629 4.640 -0.003 0.000 0.213 75 D C 1.162 177.487 176.300 0.042 0.000 0.985 75 D CA 0.960 54.965 54.000 0.008 0.000 0.879 75 D CB -0.203 40.600 40.800 0.004 0.000 0.919 75 D HN 0.281 nan 8.370 nan 0.000 0.526 76 G N -0.210 108.626 108.800 0.060 0.000 2.175 76 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.265 76 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.265 76 G C 0.198 175.148 174.900 0.084 0.000 0.979 76 G CA 0.466 45.639 45.100 0.122 0.000 0.663 76 G HN 0.426 nan 8.290 nan 0.000 0.533 77 V N 1.271 121.209 119.914 0.039 0.000 2.432 77 V HA 0.374 4.492 4.120 -0.003 0.000 0.271 77 V C 1.067 177.148 176.094 -0.022 0.000 1.046 77 V CA -0.566 61.742 62.300 0.014 0.000 0.945 77 V CB 1.665 33.489 31.823 0.002 0.000 0.992 77 V HN 0.226 nan 8.190 nan 0.000 0.471 78 V N 5.897 125.786 119.914 -0.041 0.000 2.446 78 V HA 0.119 4.237 4.120 -0.003 0.000 0.276 78 V C 0.995 177.030 176.094 -0.099 0.000 1.030 78 V CA -0.234 62.019 62.300 -0.078 0.000 1.033 78 V CB 0.882 32.648 31.823 -0.096 0.000 0.993 78 V HN 1.068 nan 8.190 nan 0.000 0.477 79 T N 2.759 117.239 114.554 -0.123 0.000 2.900 79 T HA 0.170 4.518 4.350 -0.003 0.000 0.307 79 T C 0.023 174.607 174.700 -0.194 0.000 1.065 79 T CA -0.517 61.498 62.100 -0.143 0.000 1.105 79 T CB 0.623 69.394 68.868 -0.161 0.000 0.979 79 T HN 0.716 nan 8.240 nan 0.000 0.544 80 Q N 1.762 121.462 119.800 -0.167 0.000 2.281 80 Q HA 0.118 4.457 4.340 -0.003 0.000 0.267 80 Q C -0.394 175.454 176.000 -0.254 0.000 1.053 80 Q CA -0.448 55.253 55.803 -0.170 0.000 0.905 80 Q CB 0.369 29.038 28.738 -0.116 0.000 1.195 80 Q HN 0.393 nan 8.270 nan 0.000 0.398 81 K N 4.945 125.148 120.400 -0.328 0.000 2.118 81 K HA 0.432 4.750 4.320 -0.003 0.000 0.264 81 K C -2.135 174.325 176.600 -0.232 0.000 1.000 81 K CA -1.764 54.214 56.287 -0.515 0.000 0.929 81 K CB 0.445 32.470 32.500 -0.790 0.000 1.021 81 K HN 0.627 nan 8.250 nan 0.000 0.463 82 P HA 0.096 nan 4.420 nan 0.000 0.272 82 P C 0.254 177.621 177.300 0.111 0.000 1.240 82 P CA -0.279 62.829 63.100 0.014 0.000 0.791 82 P CB 0.625 32.373 31.700 0.081 0.000 0.978 83 G N 1.147 110.002 108.800 0.092 0.000 2.975 83 G HA2 0.203 4.161 3.960 -0.003 0.000 0.159 83 G HA3 0.203 4.161 3.960 -0.003 0.000 0.159 83 G C -0.171 174.793 174.900 0.105 0.000 1.525 83 G CA -0.750 44.416 45.100 0.109 0.000 1.075 83 G HN 0.441 nan 8.290 nan 0.000 0.574 84 R N -0.006 120.560 120.500 0.111 0.000 2.585 84 R HA 0.341 4.680 4.340 -0.003 0.000 0.275 84 R C 1.147 177.348 176.300 -0.165 0.000 1.018 84 R CA 1.155 57.323 56.100 0.113 0.000 1.072 84 R CB 0.342 30.809 30.300 0.279 0.000 0.953 84 R HN 0.988 nan 8.270 nan 0.000 0.419 85 G N 0.799 109.325 108.800 -0.457 0.000 2.279 85 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.223 85 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.223 85 G C 0.940 175.603 174.900 -0.396 0.000 1.015 85 G CA 0.382 44.850 45.100 -1.054 0.000 0.621 85 G HN 0.639 nan 8.290 nan 0.000 0.506 86 S N 0.658 116.280 115.700 -0.130 0.000 2.461 86 S HA 0.322 4.791 4.470 -0.003 0.000 0.228 86 S C 2.020 176.611 174.600 -0.015 0.000 1.005 86 S CA 1.364 59.574 58.200 0.017 0.000 0.942 86 S CB -0.028 63.333 63.200 0.268 0.000 0.776 86 S HN 1.508 nan 8.310 nan 0.000 0.514 87 L N -1.373 119.871 121.223 0.036 0.000 3.530 87 L HA -0.344 3.995 4.340 -0.003 0.000 0.357 87 L C 1.938 178.887 176.870 0.131 0.000 2.051 87 L CA 1.840 56.768 54.840 0.146 0.000 2.804 87 L CB -1.798 40.325 42.059 0.106 0.000 1.640 87 L HN 0.324 nan 8.230 nan 0.000 0.757 88 L N -1.045 119.999 121.223 -0.298 0.000 2.079 88 L HA -0.197 4.142 4.340 -0.003 0.000 0.210 88 L C 1.772 178.140 176.870 -0.836 0.000 1.081 88 L CA 1.939 56.316 54.840 -0.772 0.000 0.752 88 L CB -0.359 40.677 42.059 -1.705 0.000 0.896 88 L HN 0.434 nan 8.230 nan 0.000 0.433 89 W N 0.072 121.394 121.300 0.037 0.000 3.223 89 W HA 0.281 4.940 4.660 -0.003 0.000 0.389 89 W C 0.286 176.843 176.519 0.062 0.000 1.118 89 W CA -0.394 56.956 57.345 0.009 0.000 1.902 89 W CB -0.417 29.045 29.460 0.005 0.000 1.094 89 W HN 0.224 nan 8.180 nan 0.000 0.666 90 Q N 0.476 120.421 119.800 0.242 0.000 2.306 90 Q HA 0.257 4.595 4.340 -0.003 0.000 0.265 90 Q C -0.484 175.662 176.000 0.245 0.000 1.022 90 Q CA -0.535 55.424 55.803 0.260 0.000 0.853 90 Q CB 2.335 31.258 28.738 0.309 0.000 1.327 90 Q HN -0.181 nan 8.270 nan 0.000 0.449 91 D N 1.129 121.643 120.400 0.190 0.000 2.326 91 D HA 0.135 4.774 4.640 -0.003 0.000 0.248 91 D C -0.532 175.867 176.300 0.165 0.000 1.001 91 D CA -0.533 53.559 54.000 0.152 0.000 0.961 91 D CB 1.257 42.122 40.800 0.108 0.000 1.183 91 D HN 0.480 nan 8.370 nan 0.000 0.502 92 E N 0.297 120.573 120.200 0.127 0.000 2.418 92 E HA 0.124 4.473 4.350 -0.003 0.000 0.261 92 E C -1.834 174.816 176.600 0.084 0.000 1.070 92 E CA -0.760 55.710 56.400 0.116 0.000 0.931 92 E CB 0.267 30.014 29.700 0.079 0.000 0.954 92 E HN 0.126 nan 8.360 nan 0.000 0.439 93 P HA 0.028 nan 4.420 nan 0.000 0.245 93 P C 0.399 177.744 177.300 0.074 0.000 1.203 93 P CA 0.568 63.706 63.100 0.063 0.000 0.792 93 P CB 0.418 32.143 31.700 0.041 0.000 0.997 94 E N -0.576 119.681 120.200 0.095 0.000 2.106 94 E HA -0.199 4.150 4.350 -0.003 0.000 0.192 94 E C 2.141 178.811 176.600 0.116 0.000 0.984 94 E CA 0.623 57.086 56.400 0.105 0.000 0.806 94 E CB -0.516 29.257 29.700 0.122 0.000 0.750 94 E HN 0.446 nan 8.360 nan 0.000 0.458 95 H N 0.685 119.790 119.070 0.058 0.000 2.319 95 H HA -0.117 4.437 4.556 -0.003 0.000 0.299 95 H C 1.675 177.004 175.328 0.001 0.000 1.092 95 H CA 1.943 58.009 56.048 0.030 0.000 1.302 95 H CB 0.186 29.940 29.762 -0.014 0.000 1.373 95 H HN 0.086 nan 8.280 nan 0.000 0.497 96 T N 0.235 114.750 114.554 -0.065 0.000 2.746 96 T HA -0.154 4.195 4.350 -0.003 0.000 0.267 96 T C 2.419 177.055 174.700 -0.106 0.000 1.039 96 T CA 1.937 63.970 62.100 -0.112 0.000 1.142 96 T CB -0.373 68.496 68.868 0.002 0.000 0.866 96 T HN 0.557 nan 8.240 nan 0.000 0.444 97 S N 1.724 117.402 115.700 -0.036 0.000 2.395 97 S HA -0.089 4.379 4.470 -0.003 0.000 0.225 97 S C 1.618 176.226 174.600 0.014 0.000 1.027 97 S CA 0.850 59.043 58.200 -0.011 0.000 0.965 97 S CB -0.406 62.801 63.200 0.011 0.000 0.812 97 S HN 0.286 nan 8.310 nan 0.000 0.482 98 D N 1.705 122.134 120.400 0.049 0.000 2.144 98 D HA -0.014 4.624 4.640 -0.003 0.000 0.200 98 D C 2.067 178.417 176.300 0.083 0.000 0.978 98 D CA 0.926 55.037 54.000 0.184 0.000 0.833 98 D CB -0.356 40.592 40.800 0.246 0.000 0.961 98 D HN 0.452 nan 8.370 nan 0.000 0.470 99 R N 1.014 121.439 120.500 -0.125 0.000 2.096 99 R HA -0.116 4.223 4.340 -0.003 0.000 0.235 99 R C 2.046 178.317 176.300 -0.048 0.000 1.127 99 R CA 1.324 57.335 56.100 -0.148 0.000 0.968 99 R CB 0.041 30.109 30.300 -0.388 0.000 0.861 99 R HN 0.023 nan 8.270 nan 0.000 0.440 100 K N -0.031 120.338 120.400 -0.052 0.000 2.097 100 K HA -0.147 4.172 4.320 -0.003 0.000 0.206 100 K C 1.842 178.452 176.600 0.017 0.000 1.049 100 K CA 1.060 57.335 56.287 -0.021 0.000 0.933 100 K CB -0.025 32.457 32.500 -0.031 0.000 0.717 100 K HN 0.103 nan 8.250 nan 0.000 0.442 101 L N 1.489 122.741 121.223 0.048 0.000 2.017 101 L HA -0.135 4.204 4.340 -0.003 0.000 0.208 101 L C 2.118 179.058 176.870 0.116 0.000 1.073 101 L CA 1.518 56.397 54.840 0.065 0.000 0.745 101 L CB -0.763 41.338 42.059 0.069 0.000 0.894 101 L HN 0.268 nan 8.230 nan 0.000 0.432 102 L N -1.134 120.193 121.223 0.174 0.000 2.046 102 L HA -0.195 4.144 4.340 -0.003 0.000 0.208 102 L C 2.464 179.428 176.870 0.158 0.000 1.077 102 L CA 1.338 56.285 54.840 0.178 0.000 0.747 102 L CB -0.850 41.302 42.059 0.155 0.000 0.896 102 L HN 0.285 nan 8.230 nan 0.000 0.432 103 A N -0.234 122.648 122.820 0.103 0.000 2.119 103 A HA -0.182 4.137 4.320 -0.003 0.000 0.217 103 A C 2.223 179.827 177.584 0.033 0.000 1.153 103 A CA 1.282 53.359 52.037 0.066 0.000 0.692 103 A CB -0.256 18.748 19.000 0.006 0.000 0.799 103 A HN 0.205 nan 8.150 nan 0.000 0.458 104 K N 0.369 120.791 120.400 0.036 0.000 2.097 104 K HA -0.114 4.204 4.320 -0.003 0.000 0.206 104 K C 1.538 178.149 176.600 0.019 0.000 1.049 104 K CA 1.858 58.153 56.287 0.014 0.000 0.933 104 K CB -0.016 32.490 32.500 0.010 0.000 0.717 104 K HN 0.418 nan 8.250 nan 0.000 0.442 105 E N -1.113 119.119 120.200 0.053 0.000 2.290 105 E HA 0.012 4.361 4.350 -0.003 0.000 0.197 105 E C -0.242 176.421 176.600 0.105 0.000 0.948 105 E CA 0.072 56.504 56.400 0.053 0.000 0.895 105 E CB 0.044 29.771 29.700 0.046 0.000 0.865 105 E HN 0.185 nan 8.360 nan 0.000 0.486 106 F N 3.783 123.707 119.950 -0.042 0.000 2.384 106 F HA 0.196 4.722 4.527 -0.003 0.000 0.359 106 F C 0.002 175.774 175.800 -0.047 0.000 1.143 106 F CA -0.850 57.117 58.000 -0.054 0.000 1.216 106 F CB -0.121 38.859 39.000 -0.033 0.000 1.512 106 F HN -0.272 nan 8.300 nan 0.000 0.573 107 T N 0.798 115.225 114.554 -0.211 0.000 2.943 107 T HA 0.365 4.714 4.350 -0.003 0.000 0.284 107 T C 1.113 175.611 174.700 -0.337 0.000 1.015 107 T CA -0.713 61.245 62.100 -0.236 0.000 1.042 107 T CB 1.680 70.475 68.868 -0.122 0.000 1.055 107 T HN 0.144 nan 8.240 nan 0.000 0.500 108 V N 1.465 121.213 119.914 -0.278 0.000 2.490 108 V HA -0.112 4.007 4.120 -0.003 0.000 0.250 108 V C 2.947 178.936 176.094 -0.176 0.000 1.061 108 V CA 2.096 64.246 62.300 -0.251 0.000 1.064 108 V CB -0.953 30.757 31.823 -0.187 0.000 0.670 108 V HN 0.963 nan 8.190 nan 0.000 0.461 109 R N 0.194 120.614 120.500 -0.133 0.000 2.092 109 R HA -0.138 4.200 4.340 -0.003 0.000 0.231 109 R C 2.473 178.719 176.300 -0.089 0.000 1.119 109 R CA 1.469 57.513 56.100 -0.094 0.000 0.970 109 R CB -0.171 30.086 30.300 -0.072 0.000 0.864 109 R HN 0.405 nan 8.270 nan 0.000 0.440 110 R N -0.089 120.350 120.500 -0.101 0.000 2.115 110 R HA -0.046 4.292 4.340 -0.003 0.000 0.230 110 R C 2.392 178.644 176.300 -0.079 0.000 1.111 110 R CA 1.864 57.919 56.100 -0.076 0.000 0.976 110 R CB -0.201 30.067 30.300 -0.053 0.000 0.870 110 R HN 0.298 nan 8.270 nan 0.000 0.445 111 M N 0.233 119.749 119.600 -0.141 0.000 2.086 111 M HA -0.228 4.251 4.480 -0.003 0.000 0.261 111 M C 2.190 178.445 176.300 -0.076 0.000 1.067 111 M CA 1.793 57.023 55.300 -0.117 0.000 1.116 111 M CB -0.274 32.194 32.600 -0.219 0.000 1.348 111 M HN 0.143 nan 8.290 nan 0.000 0.407 112 Q N 0.129 119.880 119.800 -0.083 0.000 2.124 112 Q HA -0.110 4.228 4.340 -0.003 0.000 0.202 112 Q C 2.104 178.079 176.000 -0.042 0.000 0.977 112 Q CA 1.567 57.336 55.803 -0.057 0.000 0.850 112 Q CB -0.295 28.409 28.738 -0.057 0.000 0.901 112 Q HN 0.594 nan 8.270 nan 0.000 0.429 113 A N 0.463 123.258 122.820 -0.043 0.000 2.209 113 A HA -0.045 4.274 4.320 -0.003 0.000 0.212 113 A C 1.744 179.312 177.584 -0.026 0.000 1.158 113 A CA 0.565 52.582 52.037 -0.032 0.000 0.742 113 A CB -0.350 18.631 19.000 -0.033 0.000 0.790 113 A HN 0.285 nan 8.150 nan 0.000 0.472 114 L N -0.872 120.336 121.223 -0.026 0.000 2.552 114 L HA -0.041 4.298 4.340 -0.003 0.000 0.227 114 L C 2.460 179.317 176.870 -0.022 0.000 1.146 114 L CA 0.742 55.569 54.840 -0.021 0.000 0.858 114 L CB -0.459 41.591 42.059 -0.014 0.000 0.969 114 L HN 0.543 nan 8.230 nan 0.000 0.451 115 R N 1.412 121.899 120.500 -0.021 0.000 2.091 115 R HA -0.166 4.173 4.340 -0.003 0.000 0.238 115 R C -0.514 175.777 176.300 -0.014 0.000 1.136 115 R CA 1.701 57.790 56.100 -0.018 0.000 0.959 115 R CB -1.051 29.241 30.300 -0.014 0.000 0.856 115 R HN 0.204 nan 8.270 nan 0.000 0.437 116 P HA -0.078 nan 4.420 nan 0.000 0.216 116 P C 0.402 177.696 177.300 -0.009 0.000 1.153 116 P CA 1.306 64.401 63.100 -0.009 0.000 0.848 116 P CB -0.142 31.553 31.700 -0.009 0.000 0.787 117 N N -0.450 118.242 118.700 -0.013 0.000 2.120 117 N HA -0.112 4.626 4.740 -0.003 0.000 0.188 117 N C 1.563 177.063 175.510 -0.017 0.000 1.024 117 N CA 1.147 54.190 53.050 -0.013 0.000 0.852 117 N CB -0.761 37.716 38.487 -0.016 0.000 1.003 117 N HN 0.031 nan 8.380 nan 0.000 0.424 118 I N -0.115 120.439 120.570 -0.027 0.000 2.252 118 I HA -0.226 3.943 4.170 -0.003 0.000 0.245 118 I C 2.326 178.424 176.117 -0.032 0.000 1.102 118 I CA 0.817 62.090 61.300 -0.044 0.000 1.385 118 I CB -0.269 37.699 38.000 -0.053 0.000 1.064 118 I HN 0.221 nan 8.210 nan 0.000 0.414 119 Q N 1.286 121.077 119.800 -0.016 0.000 2.061 119 Q HA -0.209 4.129 4.340 -0.003 0.000 0.204 119 Q C 2.256 178.263 176.000 0.012 0.000 0.984 119 Q CA 1.818 57.621 55.803 -0.000 0.000 0.846 119 Q CB -0.123 28.617 28.738 0.003 0.000 0.902 119 Q HN 0.298 nan 8.270 nan 0.000 0.421 120 R N -0.425 120.080 120.500 0.010 0.000 2.083 120 R HA -0.112 4.227 4.340 -0.003 0.000 0.237 120 R C 2.411 178.738 176.300 0.044 0.000 1.137 120 R CA 1.677 57.788 56.100 0.019 0.000 0.951 120 R CB -0.523 29.784 30.300 0.011 0.000 0.851 120 R HN 0.357 nan 8.270 nan 0.000 0.434 121 I N 0.263 120.859 120.570 0.043 0.000 2.163 121 I HA -0.289 3.880 4.170 -0.003 0.000 0.243 121 I C 2.343 178.560 176.117 0.168 0.000 1.085 121 I CA 1.206 62.567 61.300 0.102 0.000 1.347 121 I CB -0.270 37.740 38.000 0.017 0.000 1.044 121 I HN -0.009 nan 8.210 nan 0.000 0.408 122 V N 0.664 120.613 119.914 0.060 0.000 2.255 122 V HA -0.330 3.788 4.120 -0.003 0.000 0.247 122 V C 2.094 178.303 176.094 0.191 0.000 1.051 122 V CA 2.123 64.491 62.300 0.114 0.000 1.018 122 V CB -0.632 31.222 31.823 0.051 0.000 0.641 122 V HN 0.429 nan 8.190 nan 0.000 0.445 123 D N -0.692 119.768 120.400 0.100 0.000 2.178 123 D HA -0.184 4.454 4.640 -0.003 0.000 0.201 123 D C 2.166 178.500 176.300 0.057 0.000 0.980 123 D CA 1.431 55.467 54.000 0.060 0.000 0.842 123 D CB -0.016 40.800 40.800 0.026 0.000 0.948 123 D HN 0.638 nan 8.370 nan 0.000 0.472 124 E N -0.170 120.074 120.200 0.073 0.000 2.106 124 E HA -0.195 4.154 4.350 -0.003 0.000 0.192 124 E C 1.698 178.283 176.600 -0.025 0.000 0.984 124 E CA 1.016 57.421 56.400 0.009 0.000 0.806 124 E CB 0.080 29.774 29.700 -0.010 0.000 0.750 124 E HN 0.328 nan 8.360 nan 0.000 0.458 125 H N -0.324 118.780 119.070 0.057 0.000 2.428 125 H HA 0.047 4.601 4.556 -0.003 0.000 0.296 125 H C 1.841 177.198 175.328 0.049 0.000 1.062 125 H CA 1.192 57.297 56.048 0.096 0.000 1.350 125 H CB 0.137 30.026 29.762 0.212 0.000 1.403 125 H HN 0.153 nan 8.280 nan 0.000 0.533 126 L N 0.035 121.325 121.223 0.112 0.000 2.217 126 L HA -0.132 4.207 4.340 -0.003 0.000 0.211 126 L C 1.651 178.462 176.870 -0.100 0.000 1.107 126 L CA 0.718 55.491 54.840 -0.111 0.000 0.783 126 L CB -0.108 41.841 42.059 -0.183 0.000 0.919 126 L HN 0.258 nan 8.230 nan 0.000 0.442 127 D N 0.604 120.974 120.400 -0.050 0.000 2.123 127 D HA -0.191 4.448 4.640 -0.003 0.000 0.196 127 D C 2.250 178.524 176.300 -0.043 0.000 0.992 127 D CA 1.612 55.581 54.000 -0.052 0.000 0.833 127 D CB -0.034 40.740 40.800 -0.043 0.000 0.954 127 D HN 0.314 nan 8.370 nan 0.000 0.455 128 A N 0.541 123.334 122.820 -0.044 0.000 1.933 128 A HA -0.129 4.190 4.320 -0.003 0.000 0.218 128 A C 2.392 179.979 177.584 0.006 0.000 1.175 128 A CA 0.853 52.872 52.037 -0.030 0.000 0.628 128 A CB -0.676 18.289 19.000 -0.058 0.000 0.814 128 A HN 0.188 nan 8.150 nan 0.000 0.444 129 I N -0.494 120.070 120.570 -0.010 0.000 2.179 129 I HA -0.241 3.927 4.170 -0.003 0.000 0.242 129 I C 2.519 178.703 176.117 0.112 0.000 1.088 129 I CA 1.527 62.833 61.300 0.009 0.000 1.357 129 I CB -0.303 37.588 38.000 -0.181 0.000 1.051 129 I HN 0.407 nan 8.210 nan 0.000 0.409 130 E N 0.624 120.847 120.200 0.038 0.000 2.150 130 E HA -0.176 4.173 4.350 -0.003 0.000 0.193 130 E C 2.296 178.959 176.600 0.105 0.000 0.985 130 E CA 1.133 57.620 56.400 0.145 0.000 0.814 130 E CB -0.103 29.603 29.700 0.010 0.000 0.752 130 E HN 0.509 nan 8.360 nan 0.000 0.466 131 A N 2.106 124.951 122.820 0.042 0.000 1.930 131 A HA -0.185 4.134 4.320 -0.003 0.000 0.217 131 A C 2.130 179.739 177.584 0.042 0.000 1.175 131 A CA 1.336 53.385 52.037 0.020 0.000 0.627 131 A CB -0.421 18.578 19.000 -0.001 0.000 0.815 131 A HN 0.205 nan 8.150 nan 0.000 0.443 132 R N -0.974 119.569 120.500 0.070 0.000 2.161 132 R HA 0.329 4.667 4.340 -0.003 0.000 0.213 132 R C 1.045 177.393 176.300 0.080 0.000 1.055 132 R CA 0.721 56.863 56.100 0.070 0.000 0.996 132 R CB -0.803 29.541 30.300 0.073 0.000 0.901 132 R HN 0.914 nan 8.270 nan 0.000 0.456 133 G N -0.191 108.690 108.800 0.136 0.000 2.781 133 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.683 133 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.683 133 G C -0.141 174.737 174.900 -0.037 0.000 1.390 133 G CA -0.595 44.537 45.100 0.052 0.000 0.850 133 G HN 0.577 nan 8.290 nan 0.000 0.557 134 G N 0.339 108.849 108.800 -0.484 0.000 2.502 134 G HA2 0.844 4.802 3.960 -0.003 0.000 0.305 134 G HA3 0.844 4.802 3.960 -0.003 0.000 0.305 134 G C -1.309 173.458 174.900 -0.221 0.000 1.190 134 G CA -0.164 44.630 45.100 -0.510 0.000 0.933 134 G HN 0.836 nan 8.290 nan 0.000 0.503 135 P HA 0.534 nan 4.420 nan 0.000 0.278 135 P C -0.526 176.841 177.300 0.112 0.000 1.266 135 P CA -0.369 62.730 63.100 -0.003 0.000 0.807 135 P CB 1.599 33.311 31.700 0.021 0.000 1.094 136 V N -3.157 116.886 119.914 0.214 0.000 3.130 136 V HA 0.528 4.646 4.120 -0.003 0.000 0.310 136 V C -0.948 175.223 176.094 0.129 0.000 1.158 136 V CA -1.006 61.398 62.300 0.175 0.000 1.029 136 V CB 1.882 33.830 31.823 0.208 0.000 1.057 136 V HN 0.504 nan 8.190 nan 0.000 0.436 137 D N 1.556 122.013 120.400 0.095 0.000 2.347 137 D HA 0.349 4.988 4.640 -0.003 0.000 0.235 137 D C 0.818 177.165 176.300 0.078 0.000 1.149 137 D CA -0.154 53.891 54.000 0.075 0.000 0.850 137 D CB 1.229 42.066 40.800 0.062 0.000 1.061 137 D HN 0.643 nan 8.370 nan 0.000 0.487 138 L N 3.427 124.692 121.223 0.070 0.000 2.376 138 L HA -0.094 4.244 4.340 -0.003 0.000 0.219 138 L C 1.973 178.912 176.870 0.115 0.000 1.133 138 L CA 0.241 55.132 54.840 0.084 0.000 0.816 138 L CB 0.126 42.218 42.059 0.054 0.000 0.933 138 L HN 0.385 nan 8.230 nan 0.000 0.449 139 V N -0.172 119.785 119.914 0.072 0.000 2.307 139 V HA -0.268 3.851 4.120 -0.003 0.000 0.245 139 V C 2.337 178.465 176.094 0.058 0.000 1.045 139 V CA 1.695 64.025 62.300 0.050 0.000 1.024 139 V CB -0.348 31.489 31.823 0.022 0.000 0.651 139 V HN 0.406 nan 8.190 nan 0.000 0.449 140 K N 0.205 120.647 120.400 0.069 0.000 2.167 140 K HA -0.088 4.231 4.320 -0.003 0.000 0.203 140 K C 2.073 178.733 176.600 0.100 0.000 1.052 140 K CA 1.690 58.021 56.287 0.073 0.000 0.956 140 K CB -0.237 32.304 32.500 0.068 0.000 0.735 140 K HN 0.685 nan 8.250 nan 0.000 0.451 141 T N -2.425 112.206 114.554 0.128 0.000 3.065 141 T HA 0.062 4.410 4.350 -0.003 0.000 0.252 141 T C 1.111 175.985 174.700 0.290 0.000 1.099 141 T CA 0.203 62.410 62.100 0.179 0.000 1.063 141 T CB 0.098 69.053 68.868 0.144 0.000 0.948 141 T HN 0.130 nan 8.240 nan 0.000 0.506 142 F N 0.317 120.258 119.950 -0.015 0.000 1.827 142 F HA 0.612 5.137 4.527 -0.003 0.000 0.264 142 F C 2.114 177.821 175.800 -0.155 0.000 1.109 142 F CA 0.152 58.094 58.000 -0.097 0.000 1.264 142 F CB -0.300 38.638 39.000 -0.104 0.000 1.648 142 F HN 0.044 nan 8.300 nan 0.000 0.513 143 A N 0.918 123.690 122.820 -0.080 0.000 1.877 143 A HA -0.128 4.191 4.320 -0.003 0.000 0.216 143 A C 1.729 179.190 177.584 -0.205 0.000 1.186 143 A CA 2.236 54.149 52.037 -0.207 0.000 0.620 143 A CB -0.884 18.081 19.000 -0.058 0.000 0.822 143 A HN 0.522 nan 8.150 nan 0.000 0.443 144 N N 0.035 118.673 118.700 -0.102 0.000 2.300 144 N HA 0.037 4.775 4.740 -0.003 0.000 0.179 144 N C 1.726 177.180 175.510 -0.093 0.000 1.016 144 N CA 1.379 54.394 53.050 -0.058 0.000 0.876 144 N CB -0.423 38.071 38.487 0.012 0.000 0.979 144 N HN 0.472 nan 8.380 nan 0.000 0.432 145 A N 0.316 123.048 122.820 -0.147 0.000 1.878 145 A HA 0.049 4.367 4.320 -0.003 0.000 0.213 145 A C 2.408 179.757 177.584 -0.391 0.000 1.192 145 A CA 0.703 52.648 52.037 -0.154 0.000 0.619 145 A CB -0.673 18.308 19.000 -0.031 0.000 0.837 145 A HN 0.040 nan 8.150 nan 0.000 0.446 146 V N 1.362 120.888 119.914 -0.646 0.000 2.233 146 V HA -0.157 3.962 4.120 -0.003 0.000 0.247 146 V C -0.225 175.618 176.094 -0.418 0.000 1.050 146 V CA 2.617 64.508 62.300 -0.682 0.000 1.010 146 V CB -1.367 29.940 31.823 -0.861 0.000 0.637 146 V HN 0.464 nan 8.190 nan 0.000 0.444 147 P HA -0.103 nan 4.420 nan 0.000 0.221 147 P C 1.944 179.013 177.300 -0.385 0.000 1.150 147 P CA 1.697 64.612 63.100 -0.307 0.000 0.800 147 P CB 0.003 31.549 31.700 -0.257 0.000 0.787 148 S N -0.727 114.735 115.700 -0.396 0.000 2.356 148 S HA -0.119 4.349 4.470 -0.003 0.000 0.223 148 S C 1.980 176.386 174.600 -0.323 0.000 1.032 148 S CA 1.281 59.150 58.200 -0.552 0.000 1.005 148 S CB -0.691 62.453 63.200 -0.094 0.000 0.867 148 S HN -0.134 nan 8.310 nan 0.000 0.449 149 M N 1.127 120.615 119.600 -0.187 0.000 2.117 149 M HA -0.016 4.462 4.480 -0.003 0.000 0.262 149 M C 2.264 178.496 176.300 -0.114 0.000 1.065 149 M CA 1.069 56.312 55.300 -0.095 0.000 1.114 149 M CB -1.748 30.837 32.600 -0.025 0.000 1.361 149 M HN 0.225 nan 8.290 nan 0.000 0.408 150 V N 0.261 120.081 119.914 -0.157 0.000 2.255 150 V HA -0.245 3.874 4.120 -0.003 0.000 0.247 150 V C 2.400 178.442 176.094 -0.086 0.000 1.051 150 V CA 1.720 63.953 62.300 -0.112 0.000 1.018 150 V CB -0.701 31.048 31.823 -0.124 0.000 0.641 150 V HN 0.314 nan 8.190 nan 0.000 0.445 151 I N -0.402 120.085 120.570 -0.139 0.000 2.439 151 I HA -0.117 4.051 4.170 -0.003 0.000 0.251 151 I C 2.414 178.536 176.117 0.008 0.000 1.139 151 I CA 1.329 62.596 61.300 -0.056 0.000 1.438 151 I CB -0.146 37.773 38.000 -0.134 0.000 1.085 151 I HN 0.172 nan 8.210 nan 0.000 0.427 152 S N 0.408 116.044 115.700 -0.106 0.000 2.383 152 S HA -0.158 4.311 4.470 -0.003 0.000 0.227 152 S C 1.627 176.226 174.600 -0.002 0.000 1.026 152 S CA 1.381 59.538 58.200 -0.071 0.000 0.981 152 S CB -0.378 62.773 63.200 -0.082 0.000 0.818 152 S HN 0.489 nan 8.310 nan 0.000 0.472 153 D N 1.319 121.710 120.400 -0.015 0.000 2.117 153 D HA -0.061 4.578 4.640 -0.003 0.000 0.197 153 D C 1.847 178.139 176.300 -0.013 0.000 0.987 153 D CA 0.541 54.536 54.000 -0.009 0.000 0.829 153 D CB -0.432 40.358 40.800 -0.017 0.000 0.961 153 D HN 0.200 nan 8.370 nan 0.000 0.460 154 L N -0.497 120.718 121.223 -0.013 0.000 2.131 154 L HA -0.087 4.251 4.340 -0.003 0.000 0.210 154 L C 1.560 178.311 176.870 -0.198 0.000 1.092 154 L CA 1.524 56.309 54.840 -0.091 0.000 0.759 154 L CB -0.495 41.513 42.059 -0.085 0.000 0.903 154 L HN -0.070 nan 8.230 nan 0.000 0.435 155 F N -0.158 119.733 119.950 -0.098 0.000 2.765 155 F HA 0.335 4.860 4.527 -0.003 0.000 0.302 155 F C 1.787 177.541 175.800 -0.077 0.000 1.111 155 F CA 0.488 58.428 58.000 -0.101 0.000 1.359 155 F CB -0.225 38.683 39.000 -0.154 0.000 1.097 155 F HN 0.188 nan 8.300 nan 0.000 0.577 156 G N 1.151 109.983 108.800 0.054 0.000 2.221 156 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.265 156 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.265 156 G C 0.061 174.987 174.900 0.042 0.000 1.041 156 G CA 0.136 45.255 45.100 0.031 0.000 0.807 156 G HN 0.125 nan 8.290 nan 0.000 0.502 157 V N 1.342 121.275 119.914 0.031 0.000 2.485 157 V HA 0.232 4.350 4.120 -0.003 0.000 0.287 157 V C -1.060 175.057 176.094 0.038 0.000 1.022 157 V CA -0.916 61.390 62.300 0.010 0.000 1.067 157 V CB 0.867 32.616 31.823 -0.124 0.000 0.967 157 V HN 0.200 nan 8.190 nan 0.000 0.479 158 P HA 0.010 nan 4.420 nan 0.000 0.266 158 P C 1.043 178.385 177.300 0.069 0.000 1.195 158 P CA -0.000 63.136 63.100 0.060 0.000 0.768 158 P CB 0.580 32.319 31.700 0.065 0.000 0.838 159 V N 1.795 121.742 119.914 0.054 0.000 2.490 159 V HA -0.228 3.891 4.120 -0.003 0.000 0.250 159 V C 1.671 177.808 176.094 0.071 0.000 1.061 159 V CA 1.987 64.322 62.300 0.058 0.000 1.064 159 V CB -1.343 30.506 31.823 0.043 0.000 0.670 159 V HN 0.616 nan 8.190 nan 0.000 0.461 160 E N 1.631 121.870 120.200 0.065 0.000 2.472 160 E HA -0.197 4.152 4.350 -0.003 0.000 0.200 160 E C 1.903 178.554 176.600 0.085 0.000 1.046 160 E CA 1.048 57.487 56.400 0.065 0.000 0.871 160 E CB -0.316 29.414 29.700 0.049 0.000 0.806 160 E HN 0.712 nan 8.360 nan 0.000 0.533 161 R N 0.100 120.675 120.500 0.124 0.000 2.335 161 R HA 0.276 4.615 4.340 -0.003 0.000 0.210 161 R C 2.168 178.628 176.300 0.267 0.000 0.892 161 R CA -0.127 56.078 56.100 0.175 0.000 1.048 161 R CB 0.249 30.695 30.300 0.245 0.000 1.067 161 R HN 0.052 nan 8.270 nan 0.000 0.524 162 R N 0.807 121.440 120.500 0.223 0.000 2.115 162 R HA 0.011 4.349 4.340 -0.003 0.000 0.230 162 R C 2.159 178.611 176.300 0.252 0.000 1.111 162 R CA 1.366 57.628 56.100 0.270 0.000 0.976 162 R CB -0.199 30.205 30.300 0.173 0.000 0.870 162 R HN 0.112 nan 8.270 nan 0.000 0.445 163 A N 1.321 124.236 122.820 0.158 0.000 1.969 163 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 163 A C 1.855 179.482 177.584 0.071 0.000 1.169 163 A CA 1.211 53.313 52.037 0.109 0.000 0.635 163 A CB -0.233 18.812 19.000 0.076 0.000 0.810 163 A HN 0.295 nan 8.150 nan 0.000 0.445 164 E N -1.074 119.158 120.200 0.053 0.000 2.077 164 E HA -0.169 4.179 4.350 -0.003 0.000 0.193 164 E C 1.618 178.135 176.600 -0.138 0.000 0.989 164 E CA 1.218 57.583 56.400 -0.057 0.000 0.800 164 E CB -0.281 29.345 29.700 -0.122 0.000 0.746 164 E HN 0.709 nan 8.360 nan 0.000 0.452 165 F N 1.525 121.407 119.950 -0.114 0.000 2.126 165 F HA -0.232 4.294 4.527 -0.003 0.000 0.299 165 F C 2.549 178.118 175.800 -0.384 0.000 1.096 165 F CA 1.418 59.253 58.000 -0.275 0.000 1.255 165 F CB -0.265 38.514 39.000 -0.368 0.000 0.997 165 F HN 0.001 nan 8.300 nan 0.000 0.479 166 Q N -0.063 119.699 119.800 -0.064 0.000 2.084 166 Q HA -0.212 4.126 4.340 -0.003 0.000 0.202 166 Q C 1.782 177.768 176.000 -0.022 0.000 0.978 166 Q CA 1.669 57.458 55.803 -0.024 0.000 0.844 166 Q CB -0.281 28.519 28.738 0.103 0.000 0.898 166 Q HN 0.340 nan 8.270 nan 0.000 0.426 167 D N 0.327 120.714 120.400 -0.021 0.000 2.178 167 D HA -0.127 4.512 4.640 -0.003 0.000 0.201 167 D C 1.770 178.045 176.300 -0.042 0.000 0.980 167 D CA 0.762 54.750 54.000 -0.021 0.000 0.842 167 D CB -0.053 40.732 40.800 -0.025 0.000 0.948 167 D HN 0.177 nan 8.370 nan 0.000 0.472 168 I N 1.192 121.709 120.570 -0.089 0.000 2.226 168 I HA -0.202 3.966 4.170 -0.003 0.000 0.245 168 I C 2.424 178.519 176.117 -0.036 0.000 1.100 168 I CA 0.705 61.953 61.300 -0.088 0.000 1.374 168 I CB -1.238 36.669 38.000 -0.154 0.000 1.057 168 I HN -0.103 nan 8.210 nan 0.000 0.413 169 A N 0.358 123.159 122.820 -0.032 0.000 1.933 169 A HA -0.242 4.076 4.320 -0.003 0.000 0.218 169 A C 2.369 179.986 177.584 0.055 0.000 1.175 169 A CA 1.794 53.847 52.037 0.027 0.000 0.628 169 A CB -0.665 18.358 19.000 0.039 0.000 0.814 169 A HN 0.539 nan 8.150 nan 0.000 0.444 170 E N -0.210 120.016 120.200 0.042 0.000 2.150 170 E HA -0.058 4.291 4.350 -0.003 0.000 0.193 170 E C 1.888 178.518 176.600 0.050 0.000 0.985 170 E CA 0.903 57.339 56.400 0.060 0.000 0.814 170 E CB -0.194 29.538 29.700 0.055 0.000 0.752 170 E HN 0.534 nan 8.360 nan 0.000 0.466 171 A N 0.395 123.230 122.820 0.024 0.000 2.072 171 A HA 0.037 4.356 4.320 -0.003 0.000 0.216 171 A C 1.976 179.572 177.584 0.020 0.000 1.156 171 A CA 0.762 52.807 52.037 0.014 0.000 0.701 171 A CB -0.168 18.825 19.000 -0.011 0.000 0.816 171 A HN 0.396 nan 8.150 nan 0.000 0.458 172 M N -1.733 117.885 119.600 0.029 0.000 2.657 172 M HA 0.266 4.744 4.480 -0.003 0.000 0.262 172 M C 0.059 176.398 176.300 0.065 0.000 1.213 172 M CA 0.671 55.991 55.300 0.033 0.000 1.182 172 M CB 0.414 33.030 32.600 0.026 0.000 1.303 172 M HN 0.133 nan 8.290 nan 0.000 0.501 173 M N 2.831 122.490 119.600 0.097 0.000 3.654 173 M HA 0.286 4.765 4.480 -0.003 0.000 0.212 173 M C -0.916 175.458 176.300 0.124 0.000 1.354 173 M CA 0.439 55.821 55.300 0.136 0.000 1.564 173 M CB -1.119 31.605 32.600 0.206 0.000 1.056 173 M HN 0.145 nan 8.290 nan 0.000 0.608 174 R N -0.005 120.554 120.500 0.097 0.000 2.854 174 R HA 0.623 4.962 4.340 -0.003 0.000 0.271 174 R C 0.748 177.100 176.300 0.087 0.000 0.994 174 R CA -0.587 55.571 56.100 0.098 0.000 0.945 174 R CB 2.180 32.524 30.300 0.073 0.000 1.194 174 R HN 0.232 nan 8.270 nan 0.000 0.476 175 V N -2.389 117.582 119.914 0.095 0.000 3.276 175 V HA 0.151 4.269 4.120 -0.003 0.000 0.319 175 V C 0.145 176.257 176.094 0.030 0.000 1.427 175 V CA 0.012 62.338 62.300 0.042 0.000 1.102 175 V CB 0.208 32.014 31.823 -0.029 0.000 1.020 175 V HN 0.825 nan 8.190 nan 0.000 0.456 176 D N 0.587 121.018 120.400 0.051 0.000 2.501 176 D HA 0.187 4.825 4.640 -0.003 0.000 0.226 176 D C 0.520 176.839 176.300 0.031 0.000 1.198 176 D CA 0.008 54.037 54.000 0.047 0.000 0.830 176 D CB 0.269 41.109 40.800 0.067 0.000 1.014 176 D HN 0.784 nan 8.370 nan 0.000 0.496 177 Q N -0.457 119.356 119.800 0.022 0.000 2.687 177 Q HA 0.407 4.745 4.340 -0.003 0.000 0.305 177 Q C -1.434 174.569 176.000 0.005 0.000 1.006 177 Q CA -0.992 54.819 55.803 0.013 0.000 0.763 177 Q CB 1.022 29.767 28.738 0.012 0.000 1.506 177 Q HN -0.055 nan 8.270 nan 0.000 0.459 178 D N -0.294 120.106 120.400 -0.000 0.000 2.388 178 D HA 0.383 5.021 4.640 -0.003 0.000 0.254 178 D C 0.710 177.004 176.300 -0.011 0.000 1.111 178 D CA -0.077 53.920 54.000 -0.005 0.000 0.993 178 D CB 0.765 41.561 40.800 -0.007 0.000 1.118 178 D HN 0.677 nan 8.370 nan 0.000 0.502 179 A N 0.440 123.251 122.820 -0.015 0.000 1.940 179 A HA -0.013 4.305 4.320 -0.003 0.000 0.219 179 A C 2.136 179.702 177.584 -0.030 0.000 1.176 179 A CA 2.377 54.398 52.037 -0.026 0.000 0.631 179 A CB -1.282 17.700 19.000 -0.031 0.000 0.814 179 A HN 0.712 nan 8.150 nan 0.000 0.446 180 A N -0.223 122.583 122.820 -0.024 0.000 1.933 180 A HA 0.164 4.482 4.320 -0.003 0.000 0.218 180 A C 2.480 180.049 177.584 -0.026 0.000 1.175 180 A CA 2.023 54.044 52.037 -0.026 0.000 0.628 180 A CB -0.908 18.079 19.000 -0.022 0.000 0.814 180 A HN 1.033 nan 8.150 nan 0.000 0.444 181 A N -1.079 121.729 122.820 -0.020 0.000 1.898 181 A HA -0.045 4.274 4.320 -0.003 0.000 0.216 181 A C 2.310 179.881 177.584 -0.021 0.000 1.181 181 A CA 2.202 54.228 52.037 -0.018 0.000 0.620 181 A CB -1.157 17.837 19.000 -0.010 0.000 0.819 181 A HN 0.419 nan 8.150 nan 0.000 0.442 182 T N 0.107 114.649 114.554 -0.021 0.000 2.737 182 T HA -0.117 4.231 4.350 -0.003 0.000 0.265 182 T C 1.755 176.431 174.700 -0.041 0.000 1.038 182 T CA 1.553 63.639 62.100 -0.024 0.000 1.144 182 T CB -0.272 68.582 68.868 -0.023 0.000 0.866 182 T HN 0.619 nan 8.240 nan 0.000 0.434 183 E N 1.146 121.317 120.200 -0.049 0.000 2.153 183 E HA -0.050 4.298 4.350 -0.003 0.000 0.194 183 E C 2.566 179.134 176.600 -0.054 0.000 0.988 183 E CA 0.873 57.237 56.400 -0.061 0.000 0.811 183 E CB -0.212 29.451 29.700 -0.061 0.000 0.746 183 E HN 0.473 nan 8.360 nan 0.000 0.466 184 A N 1.655 124.448 122.820 -0.045 0.000 1.933 184 A HA -0.130 4.189 4.320 -0.003 0.000 0.218 184 A C 2.402 179.956 177.584 -0.050 0.000 1.175 184 A CA 1.718 53.728 52.037 -0.045 0.000 0.628 184 A CB -0.514 18.464 19.000 -0.037 0.000 0.814 184 A HN 0.291 nan 8.150 nan 0.000 0.444 185 A N -0.546 122.247 122.820 -0.046 0.000 1.930 185 A HA 0.184 4.503 4.320 -0.003 0.000 0.217 185 A C 2.409 179.955 177.584 -0.062 0.000 1.175 185 A CA 1.743 53.749 52.037 -0.052 0.000 0.627 185 A CB -1.352 17.626 19.000 -0.037 0.000 0.815 185 A HN 0.725 nan 8.150 nan 0.000 0.443 186 G N -0.612 108.154 108.800 -0.056 0.000 2.440 186 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.218 186 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.218 186 G C 1.649 176.511 174.900 -0.063 0.000 1.154 186 G CA 1.318 46.382 45.100 -0.060 0.000 0.767 186 G HN 0.466 nan 8.290 nan 0.000 0.552 187 M N -0.172 119.390 119.600 -0.063 0.000 2.132 187 M HA 0.029 4.508 4.480 -0.003 0.000 0.263 187 M C 2.838 179.096 176.300 -0.069 0.000 1.065 187 M CA 1.155 56.418 55.300 -0.062 0.000 1.122 187 M CB -0.038 32.527 32.600 -0.058 0.000 1.365 187 M HN 0.137 nan 8.290 nan 0.000 0.411 188 R N -0.179 120.273 120.500 -0.079 0.000 2.096 188 R HA -0.176 4.162 4.340 -0.003 0.000 0.235 188 R C 2.101 178.321 176.300 -0.133 0.000 1.127 188 R CA 1.345 57.386 56.100 -0.098 0.000 0.968 188 R CB -0.806 29.431 30.300 -0.104 0.000 0.861 188 R HN 0.335 nan 8.270 nan 0.000 0.440 189 L N 0.702 121.844 121.223 -0.135 0.000 2.083 189 L HA -0.013 4.325 4.340 -0.003 0.000 0.209 189 L C 2.147 178.959 176.870 -0.098 0.000 1.083 189 L CA 2.003 56.739 54.840 -0.173 0.000 0.752 189 L CB -0.929 41.061 42.059 -0.116 0.000 0.899 189 L HN 0.166 nan 8.230 nan 0.000 0.433 190 G N -1.000 107.770 108.800 -0.050 0.000 2.450 190 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.220 190 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.220 190 G C 1.510 176.425 174.900 0.025 0.000 1.130 190 G CA 0.605 45.704 45.100 -0.001 0.000 0.760 190 G HN 0.599 nan 8.290 nan 0.000 0.557 191 G N 0.866 109.655 108.800 -0.019 0.000 2.418 191 G HA2 -0.125 3.834 3.960 -0.003 0.000 0.217 191 G HA3 -0.125 3.834 3.960 -0.003 0.000 0.217 191 G C 1.792 176.724 174.900 0.054 0.000 1.158 191 G CA 0.712 45.820 45.100 0.014 0.000 0.771 191 G HN 0.432 nan 8.290 nan 0.000 0.545 192 L N -0.135 121.060 121.223 -0.048 0.000 2.083 192 L HA 0.017 4.356 4.340 -0.003 0.000 0.209 192 L C 2.862 179.803 176.870 0.118 0.000 1.083 192 L CA 0.543 55.350 54.840 -0.055 0.000 0.752 192 L CB -0.363 41.425 42.059 -0.451 0.000 0.899 192 L HN 0.179 nan 8.230 nan 0.000 0.433 193 L N -1.743 119.554 121.223 0.124 0.000 2.109 193 L HA -0.225 4.113 4.340 -0.003 0.000 0.207 193 L C 2.612 179.581 176.870 0.164 0.000 1.086 193 L CA 1.088 56.030 54.840 0.171 0.000 0.760 193 L CB -0.630 41.507 42.059 0.130 0.000 0.910 193 L HN 0.193 nan 8.230 nan 0.000 0.437 194 Y N 1.055 121.384 120.300 0.047 0.000 2.181 194 Y HA -0.332 4.217 4.550 -0.003 0.000 0.288 194 Y C 2.778 178.709 175.900 0.052 0.000 1.146 194 Y CA 1.969 60.096 58.100 0.044 0.000 1.164 194 Y CB -0.116 38.358 38.460 0.024 0.000 0.982 194 Y HN 0.132 nan 8.280 nan 0.000 0.515 195 Q N 0.342 120.211 119.800 0.115 0.000 2.084 195 Q HA -0.175 4.163 4.340 -0.003 0.000 0.202 195 Q C 2.145 178.131 176.000 -0.024 0.000 0.978 195 Q CA 1.972 57.783 55.803 0.013 0.000 0.844 195 Q CB -0.719 28.077 28.738 0.098 0.000 0.898 195 Q HN 0.574 nan 8.270 nan 0.000 0.426 196 L N -0.673 120.583 121.223 0.054 0.000 2.017 196 L HA -0.099 4.240 4.340 -0.003 0.000 0.208 196 L C 2.104 178.988 176.870 0.025 0.000 1.073 196 L CA 1.522 56.404 54.840 0.069 0.000 0.745 196 L CB -0.699 41.444 42.059 0.140 0.000 0.894 196 L HN 0.161 nan 8.230 nan 0.000 0.432 197 V N -0.405 119.509 119.914 0.000 0.000 2.295 197 V HA -0.284 3.835 4.120 -0.003 0.000 0.246 197 V C 2.683 178.722 176.094 -0.092 0.000 1.049 197 V CA 1.710 63.998 62.300 -0.019 0.000 1.024 197 V CB -0.725 31.100 31.823 0.003 0.000 0.648 197 V HN 0.520 nan 8.190 nan 0.000 0.447 198 Q N -0.066 119.597 119.800 -0.229 0.000 2.096 198 Q HA -0.259 4.079 4.340 -0.003 0.000 0.204 198 Q C 2.237 178.171 176.000 -0.110 0.000 0.982 198 Q CA 1.891 57.552 55.803 -0.235 0.000 0.850 198 Q CB -0.311 28.191 28.738 -0.393 0.000 0.901 198 Q HN 0.730 nan 8.270 nan 0.000 0.422 199 E N -0.076 120.078 120.200 -0.076 0.000 2.077 199 E HA -0.141 4.208 4.350 -0.003 0.000 0.193 199 E C 2.097 178.689 176.600 -0.013 0.000 0.989 199 E CA 0.568 56.951 56.400 -0.028 0.000 0.800 199 E CB 0.053 29.752 29.700 -0.002 0.000 0.746 199 E HN 0.190 nan 8.360 nan 0.000 0.452 200 R N 0.683 121.180 120.500 -0.005 0.000 2.092 200 R HA -0.024 4.314 4.340 -0.003 0.000 0.231 200 R C 2.186 178.484 176.300 -0.004 0.000 1.119 200 R CA 0.757 56.860 56.100 0.005 0.000 0.970 200 R CB -0.439 29.877 30.300 0.025 0.000 0.864 200 R HN 0.155 nan 8.270 nan 0.000 0.440 201 R N 0.594 121.087 120.500 -0.013 0.000 2.081 201 R HA -0.011 4.328 4.340 -0.003 0.000 0.235 201 R C 2.149 178.440 176.300 -0.014 0.000 1.131 201 R CA 1.419 57.511 56.100 -0.014 0.000 0.960 201 R CB -0.467 29.818 30.300 -0.024 0.000 0.856 201 R HN 0.211 nan 8.270 nan 0.000 0.436 202 A N 0.754 123.562 122.820 -0.020 0.000 2.014 202 A HA -0.102 4.216 4.320 -0.003 0.000 0.218 202 A C 0.901 178.480 177.584 -0.008 0.000 1.163 202 A CA 1.099 53.128 52.037 -0.014 0.000 0.652 202 A CB -0.037 18.953 19.000 -0.017 0.000 0.808 202 A HN 0.296 nan 8.150 nan 0.000 0.449 203 N N -0.569 118.127 118.700 -0.006 0.000 2.732 203 N HA 0.229 4.967 4.740 -0.003 0.000 0.235 203 N C -3.281 172.227 175.510 -0.003 0.000 1.466 203 N CA -1.556 51.492 53.050 -0.003 0.000 0.751 203 N CB 0.948 39.434 38.487 -0.001 0.000 1.317 203 N HN -0.006 nan 8.380 nan 0.000 0.525 204 P HA 0.338 nan 4.420 nan 0.000 0.269 204 P C 0.229 177.525 177.300 -0.008 0.000 1.215 204 P CA 0.132 63.228 63.100 -0.006 0.000 0.780 204 P CB 1.245 32.940 31.700 -0.008 0.000 0.898 205 G N 0.269 109.062 108.800 -0.012 0.000 2.870 205 G HA2 0.314 4.273 3.960 -0.003 0.000 0.299 205 G HA3 0.314 4.273 3.960 -0.003 0.000 0.299 205 G C -1.397 173.489 174.900 -0.024 0.000 1.324 205 G CA -0.369 44.723 45.100 -0.014 0.000 0.808 205 G HN 0.417 nan 8.290 nan 0.000 0.535 206 D N 0.533 120.918 120.400 -0.026 0.000 2.631 206 D HA 0.401 5.039 4.640 -0.003 0.000 0.227 206 D C -0.527 175.741 176.300 -0.053 0.000 1.146 206 D CA -0.406 53.573 54.000 -0.035 0.000 1.009 206 D CB -0.458 40.326 40.800 -0.027 0.000 1.057 206 D HN 0.481 nan 8.370 nan 0.000 0.509 207 D N -0.607 119.750 120.400 -0.071 0.000 2.615 207 D HA 0.126 4.764 4.640 -0.003 0.000 0.267 207 D C 0.558 176.753 176.300 -0.176 0.000 1.236 207 D CA -0.828 53.098 54.000 -0.123 0.000 0.839 207 D CB 0.704 41.452 40.800 -0.086 0.000 1.380 207 D HN -0.004 nan 8.370 nan 0.000 0.433 208 L N 0.561 121.571 121.223 -0.354 0.000 2.109 208 L HA 0.219 4.558 4.340 -0.003 0.000 0.207 208 L C 1.707 178.422 176.870 -0.257 0.000 1.086 208 L CA 1.323 55.920 54.840 -0.405 0.000 0.760 208 L CB -0.537 41.020 42.059 -0.836 0.000 0.910 208 L HN 0.707 nan 8.230 nan 0.000 0.437 209 I N -1.114 119.341 120.570 -0.192 0.000 2.208 209 I HA -0.323 3.845 4.170 -0.003 0.000 0.245 209 I C 2.361 178.478 176.117 -0.001 0.000 1.097 209 I CA 1.426 62.729 61.300 0.005 0.000 1.363 209 I CB -0.443 37.624 38.000 0.111 0.000 1.051 209 I HN 0.195 nan 8.210 nan 0.000 0.413 210 S N 0.701 116.387 115.700 -0.024 0.000 2.368 210 S HA -0.180 4.289 4.470 -0.003 0.000 0.225 210 S C 2.244 176.831 174.600 -0.021 0.000 1.030 210 S CA 1.357 59.547 58.200 -0.017 0.000 0.999 210 S CB -0.386 62.800 63.200 -0.024 0.000 0.844 210 S HN 0.562 nan 8.310 nan 0.000 0.459 211 A N 1.210 124.007 122.820 -0.038 0.000 1.930 211 A HA 0.046 4.365 4.320 -0.003 0.000 0.217 211 A C 2.083 179.662 177.584 -0.009 0.000 1.175 211 A CA 0.999 53.020 52.037 -0.028 0.000 0.627 211 A CB -0.614 18.364 19.000 -0.037 0.000 0.815 211 A HN 0.454 nan 8.150 nan 0.000 0.443 212 L N -0.659 120.566 121.223 0.004 0.000 2.141 212 L HA -0.119 4.220 4.340 -0.003 0.000 0.209 212 L C 2.351 179.234 176.870 0.022 0.000 1.094 212 L CA 0.869 55.732 54.840 0.039 0.000 0.763 212 L CB -0.429 41.689 42.059 0.099 0.000 0.908 212 L HN 0.362 nan 8.230 nan 0.000 0.437 213 I N -0.052 120.529 120.570 0.019 0.000 2.264 213 I HA -0.276 3.892 4.170 -0.003 0.000 0.248 213 I C 2.181 178.291 176.117 -0.011 0.000 1.111 213 I CA 1.940 63.244 61.300 0.007 0.000 1.382 213 I CB -0.336 37.670 38.000 0.009 0.000 1.060 213 I HN 0.411 nan 8.210 nan 0.000 0.418 214 T N -3.798 110.749 114.554 -0.012 0.000 3.122 214 T HA 0.069 4.417 4.350 -0.003 0.000 0.250 214 T C 0.821 175.508 174.700 -0.021 0.000 1.067 214 T CA -0.189 61.901 62.100 -0.017 0.000 0.966 214 T CB -0.333 68.526 68.868 -0.015 0.000 1.002 214 T HN 0.074 nan 8.240 nan 0.000 0.542 215 T N 2.452 116.992 114.554 -0.022 0.000 2.900 215 T HA 0.081 4.430 4.350 -0.003 0.000 0.307 215 T C 0.180 174.858 174.700 -0.037 0.000 1.065 215 T CA -0.351 61.735 62.100 -0.024 0.000 1.105 215 T CB 0.309 69.169 68.868 -0.015 0.000 0.979 215 T HN 0.234 nan 8.240 nan 0.000 0.544 216 E N 2.768 122.948 120.200 -0.033 0.000 2.606 216 E HA -0.037 4.311 4.350 -0.003 0.000 0.248 216 E C -0.600 175.967 176.600 -0.055 0.000 1.005 216 E CA 0.568 56.945 56.400 -0.038 0.000 0.946 216 E CB 0.337 30.019 29.700 -0.030 0.000 0.928 216 E HN 0.543 nan 8.360 nan 0.000 0.494 217 D N 5.320 125.683 120.400 -0.062 0.000 2.735 217 D HA 0.187 4.826 4.640 -0.003 0.000 0.291 217 D C -1.836 174.422 176.300 -0.071 0.000 1.205 217 D CA -1.285 52.662 54.000 -0.089 0.000 0.777 217 D CB 0.687 41.416 40.800 -0.120 0.000 1.234 217 D HN 0.140 nan 8.370 nan 0.000 0.520 218 P HA -0.049 nan 4.420 nan 0.000 0.217 218 P C 0.489 177.763 177.300 -0.043 0.000 1.150 218 P CA 0.804 63.879 63.100 -0.042 0.000 0.832 218 P CB 0.444 32.125 31.700 -0.033 0.000 0.787 219 D N -0.782 119.587 120.400 -0.052 0.000 2.349 219 D HA 0.098 4.737 4.640 -0.003 0.000 0.224 219 D C 1.213 177.478 176.300 -0.057 0.000 1.029 219 D CA 0.739 54.711 54.000 -0.047 0.000 0.879 219 D CB -0.480 40.296 40.800 -0.040 0.000 0.906 219 D HN 0.172 nan 8.370 nan 0.000 0.528 220 G N 1.791 110.547 108.800 -0.074 0.000 2.305 220 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.287 220 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.287 220 G C 1.155 175.992 174.900 -0.104 0.000 1.036 220 G CA 0.652 45.705 45.100 -0.078 0.000 0.887 220 G HN 0.430 nan 8.290 nan 0.000 0.505 221 V N -1.772 118.038 119.914 -0.175 0.000 2.951 221 V HA 0.241 4.359 4.120 -0.003 0.000 0.255 221 V C 1.605 177.438 176.094 -0.436 0.000 1.088 221 V CA 1.402 63.559 62.300 -0.237 0.000 1.109 221 V CB 0.306 31.995 31.823 -0.224 0.000 0.724 221 V HN 0.561 nan 8.190 nan 0.000 0.471 222 V N 5.026 124.654 119.914 -0.476 0.000 2.157 222 V HA 0.234 4.352 4.120 -0.003 0.000 0.241 222 V C 0.054 176.079 176.094 -0.116 0.000 1.349 222 V CA 0.020 62.040 62.300 -0.467 0.000 1.319 222 V CB -1.401 30.204 31.823 -0.363 0.000 1.421 222 V HN 0.849 nan 8.190 nan 0.000 0.501 223 D N 0.560 120.960 120.400 0.001 0.000 2.549 223 D HA 0.236 4.874 4.640 -0.003 0.000 0.270 223 D C 0.700 177.084 176.300 0.141 0.000 1.181 223 D CA -0.921 53.119 54.000 0.067 0.000 1.070 223 D CB 0.735 41.576 40.800 0.068 0.000 1.154 223 D HN 0.005 nan 8.370 nan 0.000 0.602 224 D N -0.743 119.727 120.400 0.118 0.000 2.144 224 D HA -0.128 4.510 4.640 -0.003 0.000 0.199 224 D C 1.791 178.191 176.300 0.166 0.000 0.984 224 D CA 1.037 55.113 54.000 0.127 0.000 0.834 224 D CB -0.254 40.608 40.800 0.104 0.000 0.955 224 D HN 0.437 nan 8.370 nan 0.000 0.465 225 M N -0.637 119.066 119.600 0.171 0.000 2.117 225 M HA -0.162 4.317 4.480 -0.003 0.000 0.262 225 M C 1.986 178.398 176.300 0.186 0.000 1.065 225 M CA 1.240 56.637 55.300 0.162 0.000 1.114 225 M CB -0.122 32.563 32.600 0.141 0.000 1.361 225 M HN 0.014 nan 8.290 nan 0.000 0.408 226 F N 0.585 120.577 119.950 0.069 0.000 2.134 226 F HA -0.207 4.318 4.527 -0.002 0.000 0.299 226 F C 1.592 177.438 175.800 0.076 0.000 1.097 226 F CA 1.629 59.671 58.000 0.070 0.000 1.264 226 F CB -0.076 38.957 39.000 0.056 0.000 1.001 226 F HN 0.089 nan 8.300 nan 0.000 0.479 227 L N -0.497 120.935 121.223 0.350 0.000 2.093 227 L HA -0.222 4.116 4.340 -0.003 0.000 0.208 227 L C 2.484 179.429 176.870 0.126 0.000 1.085 227 L CA 1.290 56.277 54.840 0.246 0.000 0.755 227 L CB -0.561 41.626 42.059 0.212 0.000 0.904 227 L HN 0.225 nan 8.230 nan 0.000 0.435 228 M N -0.546 119.123 119.600 0.115 0.000 2.132 228 M HA -0.169 4.310 4.480 -0.003 0.000 0.263 228 M C 1.961 178.287 176.300 0.043 0.000 1.065 228 M CA 1.492 56.846 55.300 0.091 0.000 1.122 228 M CB -0.343 32.327 32.600 0.116 0.000 1.365 228 M HN 0.257 nan 8.290 nan 0.000 0.411 229 N N 0.624 119.328 118.700 0.006 0.000 2.171 229 N HA -0.034 4.704 4.740 -0.003 0.000 0.184 229 N C 1.728 177.195 175.510 -0.072 0.000 1.021 229 N CA 1.620 54.657 53.050 -0.023 0.000 0.854 229 N CB -0.440 38.011 38.487 -0.059 0.000 0.994 229 N HN 0.303 nan 8.380 nan 0.000 0.426 230 A N 1.080 123.795 122.820 -0.175 0.000 1.877 230 A HA 0.018 4.337 4.320 -0.003 0.000 0.216 230 A C 2.354 179.912 177.584 -0.044 0.000 1.186 230 A CA 2.014 53.961 52.037 -0.151 0.000 0.620 230 A CB -0.930 17.966 19.000 -0.172 0.000 0.822 230 A HN 0.306 nan 8.150 nan 0.000 0.443 231 A N -0.526 122.287 122.820 -0.011 0.000 1.902 231 A HA 0.113 4.432 4.320 -0.003 0.000 0.217 231 A C 2.411 179.841 177.584 -0.256 0.000 1.181 231 A CA 1.984 53.919 52.037 -0.171 0.000 0.623 231 A CB -1.391 17.561 19.000 -0.080 0.000 0.818 231 A HN 0.736 nan 8.150 nan 0.000 0.443 232 G N -1.172 107.584 108.800 -0.073 0.000 2.421 232 G HA2 -0.148 3.811 3.960 -0.003 0.000 0.216 232 G HA3 -0.148 3.811 3.960 -0.003 0.000 0.216 232 G C 1.590 176.497 174.900 0.013 0.000 1.171 232 G CA 1.653 46.753 45.100 -0.000 0.000 0.775 232 G HN 0.427 nan 8.290 nan 0.000 0.543 233 T N 1.352 115.922 114.554 0.027 0.000 2.708 233 T HA -0.030 4.319 4.350 -0.003 0.000 0.266 233 T C 2.466 177.158 174.700 -0.014 0.000 1.037 233 T CA 1.024 63.153 62.100 0.049 0.000 1.146 233 T CB -0.229 68.653 68.868 0.023 0.000 0.865 233 T HN 0.141 nan 8.240 nan 0.000 0.435 234 L N 0.303 121.473 121.223 -0.088 0.000 2.017 234 L HA -0.035 4.303 4.340 -0.003 0.000 0.208 234 L C 2.518 179.297 176.870 -0.151 0.000 1.073 234 L CA 1.117 55.886 54.840 -0.120 0.000 0.745 234 L CB -0.616 41.376 42.059 -0.113 0.000 0.894 234 L HN 0.220 nan 8.230 nan 0.000 0.432 235 L N -0.655 120.383 121.223 -0.309 0.000 2.017 235 L HA -0.243 4.096 4.340 -0.003 0.000 0.208 235 L C 2.529 179.468 176.870 0.115 0.000 1.073 235 L CA 1.065 55.777 54.840 -0.214 0.000 0.745 235 L CB -0.400 41.424 42.059 -0.392 0.000 0.894 235 L HN 0.230 nan 8.230 nan 0.000 0.432 236 I N -0.099 120.520 120.570 0.081 0.000 2.286 236 I HA -0.203 3.965 4.170 -0.003 0.000 0.245 236 I C 2.825 179.017 176.117 0.126 0.000 1.104 236 I CA 1.509 62.884 61.300 0.126 0.000 1.397 236 I CB -1.536 36.538 38.000 0.123 0.000 1.072 236 I HN 0.175 nan 8.210 nan 0.000 0.417 237 A N 1.046 123.919 122.820 0.087 0.000 1.877 237 A HA -0.128 4.191 4.320 -0.003 0.000 0.216 237 A C 2.522 180.115 177.584 0.015 0.000 1.186 237 A CA 2.083 54.153 52.037 0.055 0.000 0.620 237 A CB -0.812 18.219 19.000 0.052 0.000 0.822 237 A HN 0.409 nan 8.150 nan 0.000 0.443 238 A N -1.504 121.330 122.820 0.023 0.000 2.015 238 A HA -0.051 4.267 4.320 -0.003 0.000 0.219 238 A C 1.893 179.448 177.584 -0.048 0.000 1.163 238 A CA 1.800 53.829 52.037 -0.014 0.000 0.646 238 A CB -0.663 18.319 19.000 -0.030 0.000 0.806 238 A HN 0.696 nan 8.150 nan 0.000 0.448 239 H N -1.098 117.939 119.070 -0.055 0.000 2.276 239 H HA -0.035 4.520 4.556 -0.003 0.000 0.307 239 H C 2.003 177.296 175.328 -0.059 0.000 1.061 239 H CA 1.790 57.807 56.048 -0.050 0.000 1.336 239 H CB -0.038 29.719 29.762 -0.008 0.000 1.396 239 H HN 0.473 nan 8.280 nan 0.000 0.503 240 D N -0.819 119.641 120.400 0.099 0.000 2.091 240 D HA -0.131 4.508 4.640 -0.003 0.000 0.199 240 D C 2.226 178.460 176.300 -0.111 0.000 0.980 240 D CA 2.024 56.045 54.000 0.036 0.000 0.831 240 D CB -0.327 40.537 40.800 0.105 0.000 0.987 240 D HN 0.487 nan 8.370 nan 0.000 0.460 241 T N -2.708 111.680 114.554 -0.277 0.000 2.708 241 T HA -0.126 4.222 4.350 -0.003 0.000 0.266 241 T C 2.037 176.614 174.700 -0.204 0.000 1.037 241 T CA 2.011 63.834 62.100 -0.462 0.000 1.146 241 T CB -1.099 67.443 68.868 -0.543 0.000 0.865 241 T HN -0.008 nan 8.240 nan 0.000 0.435 242 T N 2.145 116.620 114.554 -0.130 0.000 2.821 242 T HA 0.163 4.512 4.350 -0.003 0.000 0.267 242 T C 2.499 177.126 174.700 -0.120 0.000 1.046 242 T CA 1.089 63.129 62.100 -0.100 0.000 1.139 242 T CB -0.790 68.014 68.868 -0.107 0.000 0.871 242 T HN 0.590 nan 8.240 nan 0.000 0.454 243 A N 0.867 123.620 122.820 -0.113 0.000 1.858 243 A HA -0.145 4.174 4.320 -0.003 0.000 0.216 243 A C 2.722 180.264 177.584 -0.069 0.000 1.190 243 A CA 1.567 53.541 52.037 -0.106 0.000 0.617 243 A CB -1.424 17.540 19.000 -0.061 0.000 0.827 243 A HN 0.609 nan 8.150 nan 0.000 0.443 244 C N -1.089 118.179 119.300 -0.053 0.000 2.413 244 C HA -0.163 4.295 4.460 -0.003 0.000 0.276 244 C C 2.888 177.884 174.990 0.010 0.000 1.236 244 C CA 1.494 60.496 59.018 -0.025 0.000 1.735 244 C CB -1.056 26.686 27.740 0.003 0.000 2.031 244 C HN 0.583 nan 8.230 nan 0.000 0.474 245 M N 0.094 119.701 119.600 0.012 0.000 2.159 245 M HA -0.071 4.407 4.480 -0.003 0.000 0.263 245 M C 1.981 178.394 176.300 0.189 0.000 1.063 245 M CA 1.673 57.033 55.300 0.099 0.000 1.110 245 M CB -1.110 31.543 32.600 0.089 0.000 1.374 245 M HN 0.399 nan 8.290 nan 0.000 0.411 246 I N -0.717 119.879 120.570 0.043 0.000 2.179 246 I HA -0.206 3.962 4.170 -0.003 0.000 0.242 246 I C 2.489 178.709 176.117 0.172 0.000 1.088 246 I CA 1.453 62.756 61.300 0.005 0.000 1.357 246 I CB -0.923 36.948 38.000 -0.215 0.000 1.051 246 I HN 0.317 nan 8.210 nan 0.000 0.409 247 G N 0.607 109.456 108.800 0.082 0.000 2.403 247 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.216 247 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.216 247 G C 1.611 176.580 174.900 0.115 0.000 1.154 247 G CA 0.342 45.490 45.100 0.080 0.000 0.784 247 G HN 0.212 nan 8.290 nan 0.000 0.538 248 L N 1.270 122.564 121.223 0.118 0.000 2.131 248 L HA 0.304 4.643 4.340 -0.003 0.000 0.206 248 L C 2.751 179.733 176.870 0.187 0.000 1.087 248 L CA 1.905 56.849 54.840 0.173 0.000 0.767 248 L CB -0.776 41.377 42.059 0.156 0.000 0.917 248 L HN 0.152 nan 8.230 nan 0.000 0.441 249 G N -1.856 107.069 108.800 0.208 0.000 2.408 249 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.217 249 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.217 249 G C 1.405 176.339 174.900 0.057 0.000 1.150 249 G CA 1.111 46.242 45.100 0.052 0.000 0.776 249 G HN 0.402 nan 8.290 nan 0.000 0.542 250 T N 1.797 116.556 114.554 0.342 0.000 2.708 250 T HA -0.040 4.309 4.350 -0.003 0.000 0.266 250 T C 2.831 177.664 174.700 0.221 0.000 1.037 250 T CA 1.585 63.899 62.100 0.357 0.000 1.146 250 T CB -0.413 68.636 68.868 0.302 0.000 0.865 250 T HN 0.364 nan 8.240 nan 0.000 0.435 251 A N 1.246 124.174 122.820 0.181 0.000 1.908 251 A HA -0.033 4.285 4.320 -0.003 0.000 0.218 251 A C 2.263 179.861 177.584 0.024 0.000 1.181 251 A CA 1.433 53.599 52.037 0.216 0.000 0.627 251 A CB -0.800 18.420 19.000 0.367 0.000 0.818 251 A HN 0.414 nan 8.150 nan 0.000 0.445 252 L N -0.506 120.510 121.223 -0.345 0.000 2.056 252 L HA -0.045 4.293 4.340 -0.003 0.000 0.207 252 L C 2.237 178.799 176.870 -0.514 0.000 1.078 252 L CA 1.645 55.867 54.840 -1.029 0.000 0.749 252 L CB -0.483 40.909 42.059 -1.112 0.000 0.901 252 L HN 0.372 nan 8.230 nan 0.000 0.433 253 L N -1.106 119.962 121.223 -0.258 0.000 2.093 253 L HA -0.186 4.153 4.340 -0.003 0.000 0.208 253 L C 2.375 179.201 176.870 -0.073 0.000 1.085 253 L CA 0.976 55.736 54.840 -0.134 0.000 0.755 253 L CB -0.403 41.528 42.059 -0.212 0.000 0.904 253 L HN 0.284 nan 8.230 nan 0.000 0.435 254 L N -0.643 120.604 121.223 0.039 0.000 2.456 254 L HA -0.172 4.166 4.340 -0.003 0.000 0.224 254 L C 1.187 178.098 176.870 0.067 0.000 1.148 254 L CA 0.699 55.598 54.840 0.098 0.000 0.825 254 L CB -0.311 41.852 42.059 0.172 0.000 0.937 254 L HN 0.241 nan 8.230 nan 0.000 0.450 255 D N -1.202 119.208 120.400 0.016 0.000 2.395 255 D HA 0.039 4.678 4.640 -0.003 0.000 0.213 255 D C 0.017 176.317 176.300 0.001 0.000 1.110 255 D CA 0.181 54.208 54.000 0.046 0.000 0.835 255 D CB 0.511 41.396 40.800 0.142 0.000 0.965 255 D HN -0.089 nan 8.370 nan 0.000 0.505 256 S N 1.015 116.698 115.700 -0.028 0.000 2.158 256 S HA 0.215 4.684 4.470 -0.003 0.000 0.160 256 S C -1.948 172.635 174.600 -0.027 0.000 1.693 256 S CA -0.925 57.274 58.200 -0.002 0.000 1.251 256 S CB 1.666 64.914 63.200 0.080 0.000 1.153 256 S HN 0.121 nan 8.310 nan 0.000 0.439 257 P HA -0.104 nan 4.420 nan 0.000 0.216 257 P C 0.655 177.918 177.300 -0.062 0.000 1.153 257 P CA 1.265 64.346 63.100 -0.033 0.000 0.848 257 P CB 0.179 31.876 31.700 -0.005 0.000 0.787 258 D N -0.517 119.845 120.400 -0.064 0.000 2.144 258 D HA -0.145 4.494 4.640 -0.003 0.000 0.199 258 D C 2.195 178.409 176.300 -0.142 0.000 0.984 258 D CA 1.040 54.986 54.000 -0.089 0.000 0.834 258 D CB -0.520 40.229 40.800 -0.084 0.000 0.955 258 D HN 0.154 nan 8.370 nan 0.000 0.465 259 Q N 0.009 119.700 119.800 -0.182 0.000 2.119 259 Q HA -0.062 4.276 4.340 -0.003 0.000 0.201 259 Q C 2.287 178.134 176.000 -0.256 0.000 0.972 259 Q CA 0.397 56.029 55.803 -0.286 0.000 0.847 259 Q CB -0.505 27.980 28.738 -0.421 0.000 0.903 259 Q HN 0.276 nan 8.270 nan 0.000 0.433 260 L N 0.679 121.770 121.223 -0.219 0.000 2.156 260 L HA 0.029 4.367 4.340 -0.003 0.000 0.208 260 L C 2.044 178.771 176.870 -0.238 0.000 1.095 260 L CA 1.732 56.387 54.840 -0.308 0.000 0.770 260 L CB -0.864 41.013 42.059 -0.303 0.000 0.914 260 L HN 0.105 nan 8.230 nan 0.000 0.439 261 A N -0.411 122.316 122.820 -0.155 0.000 1.933 261 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 261 A C 2.239 179.755 177.584 -0.113 0.000 1.175 261 A CA 1.981 53.953 52.037 -0.108 0.000 0.628 261 A CB -0.831 18.125 19.000 -0.074 0.000 0.814 261 A HN 0.501 nan 8.150 nan 0.000 0.444 262 L N -1.274 119.865 121.223 -0.140 0.000 2.046 262 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 262 L C 2.534 179.330 176.870 -0.124 0.000 1.077 262 L CA 1.103 55.866 54.840 -0.129 0.000 0.747 262 L CB -0.547 41.418 42.059 -0.157 0.000 0.896 262 L HN 0.433 nan 8.230 nan 0.000 0.432 263 L N -0.061 121.062 121.223 -0.166 0.000 2.056 263 L HA -0.155 4.184 4.340 -0.003 0.000 0.207 263 L C 2.685 179.500 176.870 -0.092 0.000 1.078 263 L CA 1.649 56.403 54.840 -0.144 0.000 0.749 263 L CB -0.452 41.469 42.059 -0.231 0.000 0.901 263 L HN 0.068 nan 8.230 nan 0.000 0.433 264 R N -0.673 119.762 120.500 -0.107 0.000 2.148 264 R HA -0.171 4.168 4.340 -0.003 0.000 0.227 264 R C 2.160 178.449 176.300 -0.018 0.000 1.103 264 R CA 1.347 57.423 56.100 -0.040 0.000 0.983 264 R CB -0.227 30.051 30.300 -0.036 0.000 0.874 264 R HN 0.572 nan 8.270 nan 0.000 0.451 265 E N 0.485 120.664 120.200 -0.035 0.000 2.107 265 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 265 E C -0.212 176.379 176.600 -0.015 0.000 0.982 265 E CA 0.894 57.281 56.400 -0.022 0.000 0.809 265 E CB 0.318 29.998 29.700 -0.034 0.000 0.756 265 E HN -0.020 nan 8.360 nan 0.000 0.459 266 D N -0.724 119.662 120.400 -0.023 0.000 2.358 266 D HA 0.198 4.837 4.640 -0.003 0.000 0.253 266 D C -2.212 174.086 176.300 -0.003 0.000 1.288 266 D CA -2.285 51.708 54.000 -0.013 0.000 0.950 266 D CB 1.677 42.463 40.800 -0.023 0.000 1.197 266 D HN -0.127 nan 8.370 nan 0.000 0.550 267 P HA -0.114 nan 4.420 nan 0.000 0.221 267 P C 1.224 178.547 177.300 0.038 0.000 1.145 267 P CA 0.911 64.036 63.100 0.042 0.000 0.795 267 P CB 0.273 32.002 31.700 0.048 0.000 0.775 268 S N -1.607 114.106 115.700 0.021 0.000 2.561 268 S HA 0.010 4.479 4.470 -0.003 0.000 0.225 268 S C 1.634 176.243 174.600 0.015 0.000 0.977 268 S CA 0.336 58.548 58.200 0.021 0.000 0.926 268 S CB -1.251 61.956 63.200 0.012 0.000 0.769 268 S HN 0.105 nan 8.310 nan 0.000 0.533 269 L N 0.990 122.214 121.223 0.003 0.000 2.610 269 L HA 0.159 4.498 4.340 -0.003 0.000 0.232 269 L C 2.317 179.192 176.870 0.008 0.000 1.149 269 L CA 0.227 55.060 54.840 -0.011 0.000 0.872 269 L CB -0.145 41.887 42.059 -0.045 0.000 0.992 269 L HN 0.322 nan 8.230 nan 0.000 0.447 270 V N -0.090 119.849 119.914 0.042 0.000 2.594 270 V HA -0.172 3.947 4.120 -0.003 0.000 0.253 270 V C 2.249 178.403 176.094 0.100 0.000 1.069 270 V CA 1.948 64.299 62.300 0.086 0.000 1.082 270 V CB -0.203 31.705 31.823 0.143 0.000 0.680 270 V HN 0.546 nan 8.190 nan 0.000 0.469 271 G N -0.380 108.466 108.800 0.078 0.000 2.404 271 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.215 271 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.215 271 G C 1.435 176.384 174.900 0.082 0.000 1.174 271 G CA 0.906 46.058 45.100 0.087 0.000 0.780 271 G HN 0.580 nan 8.290 nan 0.000 0.537 272 N N 1.008 119.735 118.700 0.045 0.000 2.104 272 N HA -0.137 4.602 4.740 -0.003 0.000 0.190 272 N C 2.608 178.131 175.510 0.021 0.000 1.024 272 N CA 1.078 54.143 53.050 0.026 0.000 0.853 272 N CB -0.144 38.331 38.487 -0.019 0.000 1.008 272 N HN 0.332 nan 8.380 nan 0.000 0.424 273 A N 1.039 123.862 122.820 0.005 0.000 1.902 273 A HA -0.069 4.249 4.320 -0.003 0.000 0.217 273 A C 2.501 180.118 177.584 0.055 0.000 1.181 273 A CA 1.056 53.083 52.037 -0.017 0.000 0.623 273 A CB -0.695 18.273 19.000 -0.054 0.000 0.818 273 A HN 0.093 nan 8.150 nan 0.000 0.443 274 V N 0.399 120.385 119.914 0.120 0.000 2.343 274 V HA -0.208 3.910 4.120 -0.003 0.000 0.247 274 V C 2.566 178.764 176.094 0.174 0.000 1.051 274 V CA 2.109 64.525 62.300 0.193 0.000 1.036 274 V CB -0.690 31.295 31.823 0.269 0.000 0.654 274 V HN 0.524 nan 8.190 nan 0.000 0.451 275 E N 0.054 120.362 120.200 0.180 0.000 2.085 275 E HA -0.273 4.075 4.350 -0.003 0.000 0.194 275 E C 2.168 178.840 176.600 0.119 0.000 0.994 275 E CA 1.687 58.219 56.400 0.219 0.000 0.801 275 E CB -0.253 29.597 29.700 0.250 0.000 0.743 275 E HN 0.721 nan 8.360 nan 0.000 0.453 276 E N 0.834 121.095 120.200 0.103 0.000 2.107 276 E HA -0.073 4.275 4.350 -0.003 0.000 0.191 276 E C 2.188 178.902 176.600 0.190 0.000 0.982 276 E CA 0.539 57.010 56.400 0.118 0.000 0.809 276 E CB -0.253 29.478 29.700 0.052 0.000 0.756 276 E HN 0.179 nan 8.360 nan 0.000 0.459 277 L N -0.025 121.300 121.223 0.170 0.000 2.046 277 L HA -0.174 4.164 4.340 -0.003 0.000 0.208 277 L C 2.487 179.377 176.870 0.035 0.000 1.077 277 L CA 1.033 55.926 54.840 0.088 0.000 0.747 277 L CB -0.416 41.654 42.059 0.019 0.000 0.896 277 L HN 0.238 nan 8.230 nan 0.000 0.432 278 L N -0.682 120.508 121.223 -0.055 0.000 2.017 278 L HA -0.245 4.093 4.340 -0.003 0.000 0.208 278 L C 2.865 179.538 176.870 -0.329 0.000 1.073 278 L CA 1.358 56.045 54.840 -0.254 0.000 0.745 278 L CB -0.526 41.249 42.059 -0.473 0.000 0.894 278 L HN 0.251 nan 8.230 nan 0.000 0.432 279 R N -0.798 119.486 120.500 -0.360 0.000 2.070 279 R HA -0.238 4.100 4.340 -0.003 0.000 0.233 279 R C 2.469 178.751 176.300 -0.031 0.000 1.137 279 R CA 1.851 57.842 56.100 -0.182 0.000 0.945 279 R CB -0.495 29.798 30.300 -0.011 0.000 0.845 279 R HN 0.255 nan 8.270 nan 0.000 0.430 280 Y N 0.726 120.983 120.300 -0.071 0.000 2.293 280 Y HA -0.086 4.463 4.550 -0.003 0.000 0.291 280 Y C 1.812 177.859 175.900 0.246 0.000 1.137 280 Y CA 1.480 59.609 58.100 0.048 0.000 1.202 280 Y CB 0.180 38.672 38.460 0.054 0.000 0.990 280 Y HN 0.070 nan 8.280 nan 0.000 0.537 281 L N -1.263 120.118 121.223 0.263 0.000 2.477 281 L HA 0.025 4.363 4.340 -0.003 0.000 0.220 281 L C 0.558 177.545 176.870 0.194 0.000 1.106 281 L CA 0.277 55.271 54.840 0.256 0.000 0.851 281 L CB -0.554 41.634 42.059 0.215 0.000 0.994 281 L HN -0.124 nan 8.230 nan 0.000 0.462 282 T N 2.576 117.199 114.554 0.116 0.000 2.439 282 T HA -0.188 4.160 4.350 -0.003 0.000 0.516 282 T C 1.346 176.103 174.700 0.095 0.000 0.826 282 T CA 0.656 62.800 62.100 0.073 0.000 3.736 282 T CB -1.004 67.929 68.868 0.108 0.000 0.873 282 T HN 0.431 nan 8.240 nan 0.000 0.244 283 I N -0.512 120.140 120.570 0.137 0.000 2.830 283 I HA 0.187 4.355 4.170 -0.003 0.000 0.263 283 I C 1.743 178.027 176.117 0.278 0.000 1.230 283 I CA 0.437 61.884 61.300 0.246 0.000 1.480 283 I CB -0.175 37.984 38.000 0.265 0.000 1.095 283 I HN 0.490 nan 8.210 nan 0.000 0.455 284 G N 2.887 111.829 108.800 0.237 0.000 3.008 284 G HA2 0.156 4.114 3.960 -0.003 0.000 0.272 284 G HA3 0.156 4.114 3.960 -0.003 0.000 0.272 284 G C 1.001 175.758 174.900 -0.238 0.000 0.764 284 G CA -0.233 44.876 45.100 0.014 0.000 2.029 284 G HN 0.694 nan 8.290 nan 0.000 0.587 285 Q N 0.373 119.910 119.800 -0.438 0.000 2.224 285 Q HA -0.068 4.270 4.340 -0.003 0.000 0.203 285 Q C 1.005 176.520 176.000 -0.808 0.000 0.970 285 Q CA 0.989 56.403 55.803 -0.648 0.000 0.865 285 Q CB -0.182 28.020 28.738 -0.893 0.000 0.922 285 Q HN 0.483 nan 8.270 nan 0.000 0.445 286 F N 0.972 120.643 119.950 -0.465 0.000 2.754 286 F HA 0.393 4.919 4.527 -0.002 0.000 0.297 286 F C 1.249 176.710 175.800 -0.565 0.000 1.122 286 F CA 0.469 58.079 58.000 -0.650 0.000 1.400 286 F CB 0.276 38.679 39.000 -0.995 0.000 1.117 286 F HN 0.238 nan 8.300 nan 0.000 0.587 287 G N -0.098 108.545 108.800 -0.261 0.000 2.690 287 G HA2 0.182 4.141 3.960 -0.003 0.000 0.686 287 G HA3 0.182 4.141 3.960 -0.003 0.000 0.686 287 G C 0.033 174.992 174.900 0.099 0.000 1.277 287 G CA -0.881 44.178 45.100 -0.068 0.000 0.799 287 G HN 0.558 nan 8.290 nan 0.000 0.613 288 G N -0.216 108.630 108.800 0.075 0.000 2.467 288 G HA2 0.571 4.529 3.960 -0.003 0.000 0.257 288 G HA3 0.571 4.529 3.960 -0.003 0.000 0.257 288 G C -0.077 174.858 174.900 0.058 0.000 1.227 288 G CA -0.155 44.986 45.100 0.068 0.000 0.835 288 G HN 0.748 nan 8.290 nan 0.000 0.556 289 E N 0.832 121.050 120.200 0.031 0.000 2.179 289 E HA 0.531 4.880 4.350 -0.003 0.000 0.275 289 E C -0.209 176.371 176.600 -0.033 0.000 0.945 289 E CA -0.717 55.666 56.400 -0.028 0.000 0.792 289 E CB 1.729 31.389 29.700 -0.067 0.000 1.125 289 E HN 0.238 nan 8.360 nan 0.000 0.397 290 R N 0.829 121.308 120.500 -0.035 0.000 2.817 290 R HA 0.619 4.957 4.340 -0.003 0.000 0.268 290 R C -1.405 174.959 176.300 0.106 0.000 1.027 290 R CA -1.029 55.082 56.100 0.019 0.000 0.928 290 R CB 1.839 32.114 30.300 -0.042 0.000 1.228 290 R HN 0.386 nan 8.270 nan 0.000 0.469 291 V N 0.317 120.356 119.914 0.208 0.000 2.760 291 V HA 0.701 4.820 4.120 -0.003 0.000 0.309 291 V C -0.753 175.514 176.094 0.288 0.000 1.077 291 V CA -0.718 61.715 62.300 0.221 0.000 0.910 291 V CB 1.890 33.758 31.823 0.075 0.000 1.008 291 V HN 0.913 nan 8.190 nan 0.000 0.424 292 A N 3.685 126.639 122.820 0.224 0.000 2.477 292 A HA 0.494 4.813 4.320 -0.003 0.000 0.246 292 A C 1.135 178.640 177.584 -0.131 0.000 1.078 292 A CA 0.514 52.446 52.037 -0.175 0.000 0.770 292 A CB 0.518 19.413 19.000 -0.176 0.000 1.011 292 A HN 1.462 nan 8.150 nan 0.000 0.494 293 T N -0.581 113.851 114.554 -0.203 0.000 3.040 293 T HA 0.296 4.644 4.350 -0.003 0.000 0.250 293 T C 0.536 175.167 174.700 -0.115 0.000 1.058 293 T CA 0.220 62.254 62.100 -0.111 0.000 0.988 293 T CB -0.301 68.520 68.868 -0.078 0.000 0.993 293 T HN 0.914 nan 8.240 nan 0.000 0.519 294 R N -0.475 119.921 120.500 -0.173 0.000 2.766 294 R HA 0.617 4.956 4.340 -0.003 0.000 0.270 294 R C -2.051 174.160 176.300 -0.149 0.000 1.035 294 R CA -1.078 54.946 56.100 -0.127 0.000 0.911 294 R CB 0.212 30.446 30.300 -0.110 0.000 1.243 294 R HN -0.158 nan 8.270 nan 0.000 0.460 295 D N 0.838 121.182 120.400 -0.094 0.000 2.424 295 D HA 0.319 4.957 4.640 -0.003 0.000 0.244 295 D C -0.599 175.633 176.300 -0.114 0.000 1.134 295 D CA 0.053 54.004 54.000 -0.082 0.000 0.881 295 D CB 1.641 42.416 40.800 -0.042 0.000 1.191 295 D HN 0.389 nan 8.370 nan 0.000 0.445 296 V N 1.120 120.959 119.914 -0.125 0.000 3.049 296 V HA 0.449 4.567 4.120 -0.003 0.000 0.309 296 V C -1.289 174.762 176.094 -0.073 0.000 1.148 296 V CA -0.883 61.350 62.300 -0.111 0.000 0.990 296 V CB 2.376 34.086 31.823 -0.188 0.000 1.039 296 V HN 0.478 nan 8.190 nan 0.000 0.430 297 E N 3.297 123.469 120.200 -0.047 0.000 2.197 297 E HA 0.640 4.989 4.350 -0.003 0.000 0.281 297 E C -1.474 175.107 176.600 -0.031 0.000 0.995 297 E CA -0.531 55.839 56.400 -0.050 0.000 0.808 297 E CB 1.728 31.409 29.700 -0.032 0.000 1.093 297 E HN 0.751 nan 8.360 nan 0.000 0.394 298 L N 4.535 125.716 121.223 -0.070 0.000 2.441 298 L HA 0.564 4.902 4.340 -0.003 0.000 0.270 298 L C 0.327 177.152 176.870 -0.075 0.000 0.973 298 L CA 0.517 55.328 54.840 -0.047 0.000 0.842 298 L CB 1.532 43.558 42.059 -0.055 0.000 1.239 298 L HN 0.684 nan 8.230 nan 0.000 0.406 299 G N 3.317 112.094 108.800 -0.039 0.000 2.283 299 G HA2 -0.024 3.934 3.960 -0.003 0.000 0.280 299 G HA3 -0.024 3.934 3.960 -0.003 0.000 0.280 299 G C 1.067 175.948 174.900 -0.032 0.000 1.029 299 G CA 0.768 45.850 45.100 -0.029 0.000 0.840 299 G HN 2.202 nan 8.290 nan 0.000 0.505 300 G N -3.264 105.515 108.800 -0.035 0.000 2.148 300 G HA2 -0.014 3.944 3.960 -0.003 0.000 0.254 300 G HA3 -0.014 3.944 3.960 -0.003 0.000 0.254 300 G C 0.316 175.188 174.900 -0.047 0.000 0.981 300 G CA 0.608 45.691 45.100 -0.028 0.000 0.670 300 G HN 1.653 nan 8.290 nan 0.000 0.528 301 V N 0.687 120.542 119.914 -0.099 0.000 2.459 301 V HA 0.526 4.644 4.120 -0.003 0.000 0.295 301 V C 0.892 176.853 176.094 -0.221 0.000 1.029 301 V CA -0.942 61.259 62.300 -0.165 0.000 0.874 301 V CB 1.713 33.362 31.823 -0.289 0.000 0.985 301 V HN 0.417 nan 8.190 nan 0.000 0.438 302 R N 4.882 125.293 120.500 -0.148 0.000 2.316 302 R HA 0.380 4.719 4.340 -0.003 0.000 0.314 302 R C -0.893 175.290 176.300 -0.194 0.000 1.069 302 R CA -0.336 55.694 56.100 -0.117 0.000 0.959 302 R CB 0.346 30.636 30.300 -0.016 0.000 0.987 302 R HN 0.554 nan 8.270 nan 0.000 0.446 303 I N 3.908 124.354 120.570 -0.208 0.000 2.354 303 I HA 0.290 4.458 4.170 -0.003 0.000 0.292 303 I C 0.405 176.533 176.117 0.018 0.000 0.989 303 I CA -0.678 60.531 61.300 -0.151 0.000 1.188 303 I CB 1.228 39.121 38.000 -0.180 0.000 1.342 303 I HN 0.673 nan 8.210 nan 0.000 0.457 304 A N 6.392 129.298 122.820 0.144 0.000 2.316 304 A HA 0.275 4.593 4.320 -0.003 0.000 0.284 304 A C 0.426 178.050 177.584 0.067 0.000 1.115 304 A CA -0.618 51.479 52.037 0.099 0.000 0.812 304 A CB 0.402 19.487 19.000 0.141 0.000 1.064 304 A HN 0.789 nan 8.150 nan 0.000 0.489 305 K N 0.935 121.342 120.400 0.011 0.000 2.513 305 K HA 0.148 4.466 4.320 -0.003 0.000 0.275 305 K C 1.183 177.801 176.600 0.031 0.000 1.025 305 K CA 1.540 57.822 56.287 -0.007 0.000 1.125 305 K CB -0.305 32.184 32.500 -0.019 0.000 0.843 305 K HN 1.774 nan 8.250 nan 0.000 0.486 306 G N 2.757 111.574 108.800 0.028 0.000 2.195 306 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.246 306 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.246 306 G C -0.335 174.610 174.900 0.075 0.000 0.984 306 G CA 0.213 45.334 45.100 0.035 0.000 0.633 306 G HN 0.685 nan 8.290 nan 0.000 0.525 307 E N 0.674 120.960 120.200 0.144 0.000 2.259 307 E HA 0.415 4.764 4.350 -0.003 0.000 0.281 307 E C 0.349 177.101 176.600 0.253 0.000 1.027 307 E CA -0.338 56.197 56.400 0.225 0.000 0.838 307 E CB 0.992 30.934 29.700 0.404 0.000 1.066 307 E HN 0.469 nan 8.360 nan 0.000 0.401 308 Q N 1.893 121.802 119.800 0.183 0.000 2.306 308 Q HA 0.378 4.716 4.340 -0.003 0.000 0.241 308 Q C -1.232 174.876 176.000 0.181 0.000 0.948 308 Q CA -0.451 55.423 55.803 0.117 0.000 0.886 308 Q CB 1.105 29.846 28.738 0.004 0.000 1.227 308 Q HN 0.287 nan 8.270 nan 0.000 0.457 309 V N 2.833 122.812 119.914 0.108 0.000 2.971 309 V HA 0.446 4.564 4.120 -0.003 0.000 0.309 309 V C -1.093 175.002 176.094 0.001 0.000 1.130 309 V CA -0.878 61.499 62.300 0.128 0.000 0.964 309 V CB 2.300 34.151 31.823 0.047 0.000 1.029 309 V HN 0.601 nan 8.190 nan 0.000 0.427 310 V N 2.766 122.723 119.914 0.071 0.000 2.409 310 V HA 0.667 4.786 4.120 -0.003 0.000 0.291 310 V C 0.418 176.599 176.094 0.145 0.000 1.020 310 V CA -0.498 61.860 62.300 0.097 0.000 0.848 310 V CB 1.781 33.724 31.823 0.200 0.000 0.990 310 V HN 1.029 nan 8.190 nan 0.000 0.430 311 A N 3.912 126.779 122.820 0.078 0.000 2.666 311 A HA 0.279 4.598 4.320 -0.003 0.000 0.312 311 A C 0.229 177.886 177.584 0.121 0.000 1.471 311 A CA -0.173 51.902 52.037 0.063 0.000 1.134 311 A CB -0.525 18.475 19.000 0.000 0.000 1.129 311 A HN 0.882 nan 8.150 nan 0.000 0.539 312 H N 4.401 123.520 119.070 0.083 0.000 3.092 312 H HA 0.169 4.723 4.556 -0.003 0.000 0.263 312 H C 1.336 176.695 175.328 0.052 0.000 1.611 312 H CA 0.557 56.657 56.048 0.086 0.000 1.457 312 H CB 0.450 30.277 29.762 0.108 0.000 1.731 312 H HN 0.557 nan 8.280 nan 0.000 0.532 313 V N 2.982 122.957 119.914 0.101 0.000 2.594 313 V HA -0.205 3.914 4.120 -0.003 0.000 0.253 313 V C 2.257 178.447 176.094 0.160 0.000 1.069 313 V CA 1.248 63.605 62.300 0.095 0.000 1.082 313 V CB -0.754 31.104 31.823 0.059 0.000 0.680 313 V HN 0.414 nan 8.190 nan 0.000 0.469 314 L N 1.872 123.197 121.223 0.170 0.000 2.027 314 L HA 0.109 4.448 4.340 -0.003 0.000 0.206 314 L C 2.660 179.735 176.870 0.343 0.000 1.074 314 L CA 2.372 57.344 54.840 0.221 0.000 0.745 314 L CB -1.284 40.825 42.059 0.085 0.000 0.898 314 L HN 0.274 nan 8.230 nan 0.000 0.433 315 A N -0.217 122.850 122.820 0.412 0.000 1.883 315 A HA -0.165 4.154 4.320 -0.003 0.000 0.217 315 A C 2.474 180.194 177.584 0.226 0.000 1.186 315 A CA 2.173 54.318 52.037 0.180 0.000 0.624 315 A CB -1.341 17.599 19.000 -0.100 0.000 0.822 315 A HN 0.623 nan 8.150 nan 0.000 0.444 316 A N -0.293 122.652 122.820 0.209 0.000 1.940 316 A HA -0.191 4.127 4.320 -0.003 0.000 0.219 316 A C 1.673 179.404 177.584 0.245 0.000 1.176 316 A CA 1.889 54.038 52.037 0.186 0.000 0.631 316 A CB -0.583 18.459 19.000 0.069 0.000 0.814 316 A HN 0.442 nan 8.150 nan 0.000 0.446 317 D N -1.592 118.952 120.400 0.240 0.000 2.371 317 D HA 0.003 4.642 4.640 -0.003 0.000 0.221 317 D C 0.388 176.730 176.300 0.070 0.000 0.986 317 D CA 0.691 54.824 54.000 0.222 0.000 0.899 317 D CB -0.177 40.720 40.800 0.161 0.000 0.902 317 D HN 0.526 nan 8.370 nan 0.000 0.530 318 F N 0.252 120.296 119.950 0.156 0.000 2.639 318 F HA 0.105 4.630 4.527 -0.004 0.000 0.302 318 F C 0.801 176.660 175.800 0.097 0.000 1.097 318 F CA -0.690 57.361 58.000 0.085 0.000 1.294 318 F CB 0.528 39.522 39.000 -0.011 0.000 1.027 318 F HN -0.311 nan 8.300 nan 0.000 0.550 319 D N 2.900 123.453 120.400 0.255 0.000 2.401 319 D HA 0.028 4.666 4.640 -0.003 0.000 0.254 319 D C -1.472 174.908 176.300 0.134 0.000 1.192 319 D CA -1.828 52.286 54.000 0.190 0.000 0.885 319 D CB 1.401 42.329 40.800 0.214 0.000 1.147 319 D HN 0.050 nan 8.370 nan 0.000 0.478 320 P HA -0.058 nan 4.420 nan 0.000 0.230 320 P C 0.719 178.033 177.300 0.023 0.000 1.158 320 P CA 0.415 63.540 63.100 0.042 0.000 0.769 320 P CB 0.250 31.975 31.700 0.042 0.000 0.807 321 A N -1.243 121.609 122.820 0.053 0.000 2.167 321 A HA -0.053 4.266 4.320 -0.003 0.000 0.214 321 A C 1.805 179.412 177.584 0.040 0.000 1.151 321 A CA 0.484 52.551 52.037 0.049 0.000 0.735 321 A CB -1.236 17.811 19.000 0.079 0.000 0.802 321 A HN 0.158 nan 8.150 nan 0.000 0.467 322 F N 0.621 120.441 119.950 -0.215 0.000 2.243 322 F HA 0.269 4.796 4.527 -0.001 0.000 0.287 322 F C 0.544 176.162 175.800 -0.304 0.000 1.067 322 F CA 0.938 58.660 58.000 -0.463 0.000 1.304 322 F CB -0.049 38.476 39.000 -0.791 0.000 1.087 322 F HN 0.120 nan 8.300 nan 0.000 0.513 323 V N -0.594 119.019 119.914 -0.502 0.000 2.962 323 V HA 0.383 4.501 4.120 -0.003 0.000 0.313 323 V C -0.430 175.526 176.094 -0.231 0.000 1.099 323 V CA -1.087 60.916 62.300 -0.495 0.000 0.971 323 V CB 1.353 32.759 31.823 -0.695 0.000 1.028 323 V HN 0.314 nan 8.190 nan 0.000 0.430 324 E N 2.272 122.366 120.200 -0.177 0.000 2.384 324 E HA 0.029 4.377 4.350 -0.003 0.000 0.266 324 E C 0.215 176.776 176.600 -0.067 0.000 1.012 324 E CA 0.594 56.937 56.400 -0.095 0.000 0.901 324 E CB 0.629 30.281 29.700 -0.081 0.000 0.967 324 E HN 0.989 nan 8.360 nan 0.000 0.435 325 E N 3.108 123.296 120.200 -0.021 0.000 2.210 325 E HA -0.161 4.188 4.350 -0.003 0.000 0.201 325 E C -1.637 174.991 176.600 0.046 0.000 1.339 325 E CA 0.227 56.639 56.400 0.020 0.000 0.699 325 E CB -0.152 29.556 29.700 0.014 0.000 1.126 325 E HN 0.528 nan 8.360 nan 0.000 0.355 326 P HA -0.165 nan 4.420 nan 0.000 0.225 326 P C 0.512 177.927 177.300 0.192 0.000 1.148 326 P CA 1.037 64.142 63.100 0.009 0.000 0.779 326 P CB 0.209 31.902 31.700 -0.011 0.000 0.780 327 E N -0.566 119.822 120.200 0.314 0.000 2.482 327 E HA -0.022 4.326 4.350 -0.003 0.000 0.196 327 E C 1.027 177.934 176.600 0.511 0.000 1.047 327 E CA -0.091 56.578 56.400 0.448 0.000 0.869 327 E CB -0.062 29.796 29.700 0.263 0.000 0.836 327 E HN 0.214 nan 8.360 nan 0.000 0.520 328 R N 1.276 121.981 120.500 0.342 0.000 2.267 328 R HA 0.062 4.401 4.340 -0.003 0.000 0.319 328 R C -0.796 175.663 176.300 0.264 0.000 1.067 328 R CA -0.348 55.899 56.100 0.245 0.000 0.936 328 R CB 0.249 30.605 30.300 0.093 0.000 1.006 328 R HN -0.122 nan 8.270 nan 0.000 0.452 329 F N 5.031 124.910 119.950 -0.119 0.000 2.444 329 F HA 0.206 4.732 4.527 -0.002 0.000 0.360 329 F C -0.745 174.893 175.800 -0.270 0.000 1.106 329 F CA -0.834 56.869 58.000 -0.494 0.000 1.170 329 F CB 0.626 39.059 39.000 -0.944 0.000 1.113 329 F HN 0.455 nan 8.300 nan 0.000 0.521 330 D N 6.855 126.935 120.400 -0.533 0.000 2.386 330 D HA 0.136 4.774 4.640 -0.003 0.000 0.247 330 D C 0.688 176.694 176.300 -0.490 0.000 1.336 330 D CA -0.364 53.332 54.000 -0.507 0.000 0.976 330 D CB 0.546 41.199 40.800 -0.246 0.000 1.257 330 D HN 0.589 nan 8.370 nan 0.000 0.570 331 I N 1.075 121.265 120.570 -0.633 0.000 3.176 331 I HA 0.019 4.188 4.170 -0.003 0.000 0.275 331 I C 1.346 177.320 176.117 -0.239 0.000 1.298 331 I CA 0.902 61.954 61.300 -0.413 0.000 1.445 331 I CB -0.292 37.462 38.000 -0.410 0.000 1.075 331 I HN 0.272 nan 8.210 nan 0.000 0.482 332 T N -1.628 112.790 114.554 -0.226 0.000 3.129 332 T HA 0.196 4.544 4.350 -0.003 0.000 0.251 332 T C 1.014 175.644 174.700 -0.117 0.000 1.117 332 T CA -0.335 61.676 62.100 -0.148 0.000 1.034 332 T CB -0.270 68.518 68.868 -0.133 0.000 0.968 332 T HN 0.355 nan 8.240 nan 0.000 0.526 333 R N 1.756 122.178 120.500 -0.130 0.000 2.698 333 R HA 0.214 4.552 4.340 -0.003 0.000 0.266 333 R C 0.180 176.436 176.300 -0.073 0.000 1.026 333 R CA -0.175 55.862 56.100 -0.105 0.000 1.102 333 R CB 0.411 30.642 30.300 -0.116 0.000 0.978 333 R HN 0.391 nan 8.270 nan 0.000 0.436 334 R N 2.921 123.382 120.500 -0.065 0.000 2.522 334 R HA 0.035 4.373 4.340 -0.003 0.000 0.284 334 R C -1.978 174.308 176.300 -0.023 0.000 1.032 334 R CA -1.216 54.860 56.100 -0.039 0.000 1.049 334 R CB -0.168 30.108 30.300 -0.040 0.000 0.956 334 R HN 0.364 nan 8.270 nan 0.000 0.422 335 P HA -0.023 nan 4.420 nan 0.000 0.264 335 P C -1.025 176.314 177.300 0.065 0.000 1.193 335 P CA 0.369 63.509 63.100 0.066 0.000 0.763 335 P CB 0.937 32.692 31.700 0.092 0.000 0.810 336 A N 5.044 127.924 122.820 0.101 0.000 2.344 336 A HA 0.733 5.052 4.320 -0.003 0.000 0.307 336 A C -2.455 175.295 177.584 0.277 0.000 1.151 336 A CA -1.574 50.544 52.037 0.135 0.000 0.842 336 A CB 0.506 19.477 19.000 -0.047 0.000 1.350 336 A HN 0.374 nan 8.150 nan 0.000 0.459 337 P HA 0.242 nan 4.420 nan 0.000 0.247 337 P C -0.699 176.738 177.300 0.228 0.000 1.756 337 P CA 0.077 63.286 63.100 0.183 0.000 1.117 337 P CB -0.698 31.106 31.700 0.174 0.000 1.869 338 H N 0.538 119.848 119.070 0.401 0.000 2.598 338 H HA 0.227 4.781 4.556 -0.003 0.000 0.371 338 H C 0.510 175.908 175.328 0.117 0.000 1.468 338 H CA -0.590 55.606 56.048 0.247 0.000 1.454 338 H CB 0.355 30.300 29.762 0.306 0.000 1.579 338 H HN 0.127 nan 8.280 nan 0.000 0.611 339 L N 0.222 121.612 121.223 0.278 0.000 2.910 339 L HA 0.336 4.674 4.340 -0.003 0.000 0.252 339 L C 1.934 178.937 176.870 0.222 0.000 1.195 339 L CA 0.305 55.239 54.840 0.157 0.000 1.003 339 L CB -0.015 42.040 42.059 -0.008 0.000 1.328 339 L HN 0.892 nan 8.230 nan 0.000 0.540 340 A N 0.031 123.051 122.820 0.334 0.000 2.019 340 A HA -0.110 4.208 4.320 -0.003 0.000 0.219 340 A C 1.478 179.003 177.584 -0.098 0.000 1.164 340 A CA 1.477 53.505 52.037 -0.014 0.000 0.644 340 A CB -0.381 18.418 19.000 -0.336 0.000 0.805 340 A HN 0.388 nan 8.150 nan 0.000 0.449 341 F N -0.547 119.562 119.950 0.266 0.000 2.641 341 F HA 0.435 4.961 4.527 -0.002 0.000 0.302 341 F C 1.590 177.492 175.800 0.170 0.000 1.098 341 F CA 0.178 58.292 58.000 0.190 0.000 1.318 341 F CB -0.307 38.795 39.000 0.170 0.000 1.035 341 F HN 0.443 nan 8.300 nan 0.000 0.551 342 G N 0.864 109.848 108.800 0.307 0.000 2.593 342 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.237 342 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.237 342 G C -1.033 174.073 174.900 0.342 0.000 1.312 342 G CA -0.258 44.996 45.100 0.256 0.000 0.896 342 G HN 0.263 nan 8.290 nan 0.000 0.574 343 F N -0.671 119.316 119.950 0.061 0.000 2.769 343 F HA 0.597 5.123 4.527 -0.002 0.000 0.313 343 F C 0.734 176.546 175.800 0.021 0.000 1.146 343 F CA 1.743 59.755 58.000 0.020 0.000 0.934 343 F CB 0.948 39.923 39.000 -0.042 0.000 1.283 343 F HN 2.592 nan 8.300 nan 0.000 0.443 344 G N 2.035 110.417 108.800 -0.697 0.000 2.553 344 G HA2 0.135 4.093 3.960 -0.003 0.000 0.242 344 G HA3 0.135 4.093 3.960 -0.003 0.000 0.242 344 G C 0.761 175.538 174.900 -0.205 0.000 1.277 344 G CA 0.198 45.047 45.100 -0.419 0.000 0.910 344 G HN 1.862 nan 8.290 nan 0.000 0.576 345 A N -1.796 120.939 122.820 -0.141 0.000 1.972 345 A HA 0.010 4.328 4.320 -0.003 0.000 0.219 345 A C 1.793 179.271 177.584 -0.177 0.000 1.169 345 A CA 2.328 54.273 52.037 -0.154 0.000 0.635 345 A CB -0.508 18.355 19.000 -0.228 0.000 0.810 345 A HN 0.798 nan 8.150 nan 0.000 0.446 346 H N -0.849 118.188 119.070 -0.055 0.000 2.539 346 H HA 0.110 4.665 4.556 -0.003 0.000 0.269 346 H C 0.712 176.061 175.328 0.036 0.000 0.980 346 H CA 0.150 56.183 56.048 -0.025 0.000 1.152 346 H CB -0.091 29.602 29.762 -0.115 0.000 1.407 346 H HN 0.689 nan 8.280 nan 0.000 0.564 347 Q N 1.191 121.052 119.800 0.101 0.000 2.304 347 Q HA -0.056 4.283 4.340 -0.003 0.000 0.301 347 Q C 0.024 176.091 176.000 0.111 0.000 1.063 347 Q CA -0.097 55.779 55.803 0.121 0.000 0.947 347 Q CB 0.593 29.371 28.738 0.066 0.000 1.201 347 Q HN 0.363 nan 8.270 nan 0.000 0.389 348 C N 5.988 125.385 119.300 0.161 0.000 2.106 348 C HA -0.124 4.334 4.460 -0.003 0.000 0.402 348 C C 1.827 176.832 174.990 0.026 0.000 1.548 348 C CA 0.168 59.262 59.018 0.126 0.000 1.432 348 C CB -1.582 26.279 27.740 0.202 0.000 2.584 348 C HN 1.013 nan 8.230 nan 0.000 0.604 349 I N 4.643 125.259 120.570 0.076 0.000 2.830 349 I HA 0.083 4.251 4.170 -0.003 0.000 0.263 349 I C 1.921 178.091 176.117 0.088 0.000 1.230 349 I CA 1.590 62.935 61.300 0.076 0.000 1.480 349 I CB -0.057 38.040 38.000 0.160 0.000 1.095 349 I HN 0.899 nan 8.210 nan 0.000 0.455 350 G N 0.254 109.127 108.800 0.122 0.000 3.233 350 G HA2 -0.030 3.929 3.960 -0.003 0.000 0.234 350 G HA3 -0.030 3.929 3.960 -0.003 0.000 0.234 350 G C 1.241 176.092 174.900 -0.081 0.000 1.137 350 G CA 0.122 45.323 45.100 0.169 0.000 0.763 350 G HN 0.580 nan 8.290 nan 0.000 0.549 351 Q N -0.160 119.438 119.800 -0.337 0.000 2.170 351 Q HA -0.117 4.222 4.340 -0.003 0.000 0.203 351 Q C 1.932 177.659 176.000 -0.455 0.000 0.976 351 Q CA 0.925 56.218 55.803 -0.849 0.000 0.858 351 Q CB -0.224 27.560 28.738 -1.591 0.000 0.907 351 Q HN 0.265 nan 8.270 nan 0.000 0.433 352 Q N 0.730 120.358 119.800 -0.287 0.000 2.119 352 Q HA -0.078 4.260 4.340 -0.003 0.000 0.201 352 Q C 2.179 178.115 176.000 -0.105 0.000 0.972 352 Q CA 0.924 56.622 55.803 -0.175 0.000 0.847 352 Q CB -0.313 28.323 28.738 -0.170 0.000 0.903 352 Q HN 0.390 nan 8.270 nan 0.000 0.433 353 L N 0.896 122.062 121.223 -0.095 0.000 2.046 353 L HA -0.066 4.272 4.340 -0.003 0.000 0.208 353 L C 2.159 179.035 176.870 0.011 0.000 1.077 353 L CA 2.072 56.900 54.840 -0.020 0.000 0.747 353 L CB -0.915 41.186 42.059 0.070 0.000 0.896 353 L HN 0.119 nan 8.230 nan 0.000 0.432 354 A N -0.276 122.564 122.820 0.035 0.000 1.883 354 A HA -0.259 4.060 4.320 -0.003 0.000 0.217 354 A C 2.453 180.114 177.584 0.127 0.000 1.186 354 A CA 2.090 54.192 52.037 0.110 0.000 0.624 354 A CB -0.592 18.572 19.000 0.272 0.000 0.822 354 A HN 0.529 nan 8.150 nan 0.000 0.444 355 R N -0.820 119.753 120.500 0.122 0.000 2.075 355 R HA -0.004 4.335 4.340 -0.003 0.000 0.232 355 R C 2.058 178.410 176.300 0.086 0.000 1.126 355 R CA 1.502 57.693 56.100 0.152 0.000 0.963 355 R CB -0.467 29.911 30.300 0.130 0.000 0.858 355 R HN 0.579 nan 8.270 nan 0.000 0.435 356 I N 0.990 121.580 120.570 0.034 0.000 2.163 356 I HA -0.286 3.883 4.170 -0.003 0.000 0.243 356 I C 2.163 178.276 176.117 -0.006 0.000 1.085 356 I CA 1.502 62.810 61.300 0.013 0.000 1.347 356 I CB -0.245 37.749 38.000 -0.011 0.000 1.044 356 I HN 0.234 nan 8.210 nan 0.000 0.408 357 E N 0.609 120.793 120.200 -0.026 0.000 2.051 357 E HA -0.215 4.133 4.350 -0.003 0.000 0.192 357 E C 2.344 178.868 176.600 -0.127 0.000 0.991 357 E CA 1.232 57.578 56.400 -0.089 0.000 0.799 357 E CB -0.163 29.469 29.700 -0.112 0.000 0.748 357 E HN 0.482 nan 8.360 nan 0.000 0.449 358 L N 0.776 121.953 121.223 -0.076 0.000 2.093 358 L HA -0.227 4.112 4.340 -0.003 0.000 0.208 358 L C 2.557 179.428 176.870 0.001 0.000 1.085 358 L CA 1.182 55.942 54.840 -0.134 0.000 0.755 358 L CB -0.377 41.746 42.059 0.107 0.000 0.904 358 L HN 0.148 nan 8.230 nan 0.000 0.435 359 Q N 0.078 119.937 119.800 0.099 0.000 2.050 359 Q HA -0.196 4.143 4.340 -0.003 0.000 0.202 359 Q C 2.311 178.370 176.000 0.097 0.000 0.980 359 Q CA 1.570 57.462 55.803 0.147 0.000 0.840 359 Q CB -0.134 28.670 28.738 0.110 0.000 0.898 359 Q HN 0.496 nan 8.270 nan 0.000 0.424 360 I N -0.129 120.456 120.570 0.024 0.000 2.226 360 I HA -0.250 3.918 4.170 -0.003 0.000 0.245 360 I C 2.168 178.284 176.117 -0.002 0.000 1.100 360 I CA 0.710 62.016 61.300 0.011 0.000 1.374 360 I CB -0.187 37.803 38.000 -0.018 0.000 1.057 360 I HN 0.063 nan 8.210 nan 0.000 0.413 361 V N 0.575 120.426 119.914 -0.105 0.000 2.261 361 V HA -0.281 3.837 4.120 -0.003 0.000 0.246 361 V C 2.222 178.297 176.094 -0.033 0.000 1.047 361 V CA 2.057 64.264 62.300 -0.155 0.000 1.015 361 V CB -0.555 30.983 31.823 -0.475 0.000 0.642 361 V HN 0.224 nan 8.190 nan 0.000 0.446 362 F N -0.123 119.900 119.950 0.123 0.000 2.234 362 F HA -0.020 4.507 4.527 -0.001 0.000 0.296 362 F C 2.510 178.443 175.800 0.222 0.000 1.089 362 F CA 1.176 59.293 58.000 0.196 0.000 1.343 362 F CB -0.678 38.484 39.000 0.269 0.000 1.040 362 F HN 0.139 nan 8.300 nan 0.000 0.498 363 E N 0.324 120.717 120.200 0.322 0.000 2.077 363 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 363 E C 1.922 178.617 176.600 0.158 0.000 0.989 363 E CA 1.953 58.488 56.400 0.225 0.000 0.800 363 E CB -0.213 29.576 29.700 0.148 0.000 0.746 363 E HN 0.305 nan 8.360 nan 0.000 0.452 364 T N 1.769 116.384 114.554 0.102 0.000 2.851 364 T HA -0.097 4.251 4.350 -0.003 0.000 0.262 364 T C 1.898 176.578 174.700 -0.034 0.000 1.043 364 T CA 0.904 63.029 62.100 0.041 0.000 1.140 364 T CB -0.275 68.617 68.868 0.041 0.000 0.872 364 T HN 0.100 nan 8.240 nan 0.000 0.446 365 L N 0.738 121.915 121.223 -0.077 0.000 1.989 365 L HA -0.014 4.324 4.340 -0.003 0.000 0.211 365 L C 1.822 178.478 176.870 -0.356 0.000 1.071 365 L CA 1.929 56.554 54.840 -0.359 0.000 0.749 365 L CB -0.839 40.927 42.059 -0.488 0.000 0.890 365 L HN 0.151 nan 8.230 nan 0.000 0.431 366 F N -0.400 119.547 119.950 -0.006 0.000 2.558 366 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 366 F C 2.636 178.418 175.800 -0.029 0.000 1.119 366 F CA 1.160 59.149 58.000 -0.017 0.000 1.451 366 F CB -0.497 38.518 39.000 0.026 0.000 1.091 366 F HN 0.148 nan 8.300 nan 0.000 0.563 367 R N 0.419 120.990 120.500 0.119 0.000 2.080 367 R HA 0.016 4.354 4.340 -0.003 0.000 0.222 367 R C 2.091 178.391 176.300 0.000 0.000 1.107 367 R CA 1.015 57.153 56.100 0.062 0.000 0.980 367 R CB -0.011 30.322 30.300 0.055 0.000 0.879 367 R HN 0.103 nan 8.270 nan 0.000 0.439 368 R N -0.190 120.265 120.500 -0.075 0.000 2.254 368 R HA 0.203 4.542 4.340 -0.003 0.000 0.195 368 R C 0.112 176.292 176.300 -0.200 0.000 0.957 368 R CA 0.209 56.239 56.100 -0.117 0.000 1.024 368 R CB 0.403 30.616 30.300 -0.146 0.000 0.952 368 R HN 0.186 nan 8.270 nan 0.000 0.484 369 L N 3.758 124.805 121.223 -0.292 0.000 2.360 369 L HA 0.341 4.679 4.340 -0.003 0.000 0.265 369 L C -2.263 174.516 176.870 -0.152 0.000 1.066 369 L CA -2.060 52.497 54.840 -0.472 0.000 0.929 369 L CB 1.155 42.697 42.059 -0.862 0.000 1.306 369 L HN -0.228 nan 8.230 nan 0.000 0.434 370 P HA 0.048 nan 4.420 nan 0.000 0.268 370 P C 0.876 178.083 177.300 -0.156 0.000 1.204 370 P CA 0.577 63.707 63.100 0.050 0.000 0.768 370 P CB 1.102 32.922 31.700 0.199 0.000 0.842 371 G N 1.654 110.282 108.800 -0.287 0.000 2.179 371 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.257 371 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.257 371 G C 0.014 174.820 174.900 -0.158 0.000 1.010 371 G CA -0.095 44.666 45.100 -0.565 0.000 0.736 371 G HN 0.612 nan 8.290 nan 0.000 0.513 372 L N 0.774 122.011 121.223 0.023 0.000 2.593 372 L HA 0.450 4.789 4.340 -0.003 0.000 0.287 372 L C 0.952 177.909 176.870 0.145 0.000 1.243 372 L CA 1.349 56.263 54.840 0.124 0.000 0.890 372 L CB 0.199 42.283 42.059 0.041 0.000 1.134 372 L HN 0.716 nan 8.230 nan 0.000 0.502 373 R N 3.349 123.945 120.500 0.160 0.000 2.728 373 R HA 0.448 4.787 4.340 -0.003 0.000 0.274 373 R C -1.577 174.807 176.300 0.140 0.000 1.032 373 R CA -1.195 54.989 56.100 0.141 0.000 0.866 373 R CB 0.380 30.748 30.300 0.114 0.000 1.263 373 R HN 0.473 nan 8.270 nan 0.000 0.475 374 L N 1.032 122.331 121.223 0.127 0.000 2.456 374 L HA 0.311 4.649 4.340 -0.003 0.000 0.272 374 L C 1.068 177.999 176.870 0.102 0.000 1.189 374 L CA 0.222 55.134 54.840 0.119 0.000 0.846 374 L CB 1.106 43.238 42.059 0.121 0.000 1.111 374 L HN 1.004 nan 8.230 nan 0.000 0.475 375 A N 3.132 126.008 122.820 0.093 0.000 2.431 375 A HA 0.223 4.541 4.320 -0.003 0.000 0.239 375 A C 0.407 178.029 177.584 0.063 0.000 1.230 375 A CA 0.025 52.106 52.037 0.073 0.000 0.928 375 A CB 0.190 19.231 19.000 0.068 0.000 1.006 375 A HN 0.673 nan 8.150 nan 0.000 0.520 376 K N 0.862 121.304 120.400 0.071 0.000 2.550 376 K HA 0.475 4.793 4.320 -0.003 0.000 0.252 376 K C -3.349 173.299 176.600 0.081 0.000 0.943 376 K CA -1.817 54.509 56.287 0.065 0.000 0.806 376 K CB 2.196 34.729 32.500 0.055 0.000 1.289 376 K HN -0.092 nan 8.250 nan 0.000 0.435 377 P HA 0.004 nan 4.420 nan 0.000 0.271 377 P C 0.809 178.185 177.300 0.126 0.000 1.218 377 P CA -0.559 62.602 63.100 0.102 0.000 0.780 377 P CB 0.862 32.614 31.700 0.087 0.000 0.901 378 V N 2.147 122.162 119.914 0.170 0.000 2.317 378 V HA -0.273 3.846 4.120 -0.003 0.000 0.251 378 V C 2.212 178.433 176.094 0.212 0.000 1.065 378 V CA 2.380 64.819 62.300 0.230 0.000 1.049 378 V CB -1.163 30.831 31.823 0.284 0.000 0.651 378 V HN 0.730 nan 8.190 nan 0.000 0.450 379 E N 0.411 120.695 120.200 0.140 0.000 2.418 379 E HA -0.217 4.132 4.350 -0.003 0.000 0.197 379 E C 1.456 178.124 176.600 0.112 0.000 1.026 379 E CA 1.223 57.686 56.400 0.105 0.000 0.862 379 E CB -0.215 29.526 29.700 0.068 0.000 0.799 379 E HN 0.763 nan 8.360 nan 0.000 0.518 380 E N 0.633 120.901 120.200 0.114 0.000 2.472 380 E HA 0.206 4.554 4.350 -0.003 0.000 0.196 380 E C 0.442 177.102 176.600 0.100 0.000 1.033 380 E CA -0.254 56.203 56.400 0.095 0.000 0.886 380 E CB 0.419 30.162 29.700 0.071 0.000 0.944 380 E HN 0.209 nan 8.360 nan 0.000 0.492 381 L N 1.526 122.821 121.223 0.121 0.000 2.452 381 L HA 0.206 4.545 4.340 -0.003 0.000 0.267 381 L C 0.595 177.509 176.870 0.074 0.000 1.188 381 L CA -0.143 54.706 54.840 0.015 0.000 0.821 381 L CB 0.478 42.420 42.059 -0.195 0.000 1.102 381 L HN -0.130 nan 8.230 nan 0.000 0.470 382 R N 1.917 122.420 120.500 0.005 0.000 2.196 382 R HA 0.344 4.683 4.340 -0.003 0.000 0.340 382 R C -0.882 175.441 176.300 0.037 0.000 1.043 382 R CA -0.268 55.907 56.100 0.125 0.000 0.883 382 R CB 0.465 30.838 30.300 0.122 0.000 1.078 382 R HN 0.291 nan 8.270 nan 0.000 0.462 383 F N 0.994 121.009 119.950 0.107 0.000 2.370 383 F HA 0.305 4.830 4.527 -0.003 0.000 0.319 383 F C 1.435 177.243 175.800 0.013 0.000 1.129 383 F CA -0.590 57.383 58.000 -0.045 0.000 1.109 383 F CB 0.913 39.883 39.000 -0.051 0.000 1.262 383 F HN 0.212 nan 8.300 nan 0.000 0.534 384 R N 0.778 121.232 120.500 -0.077 0.000 4.680 384 R HA 0.035 4.374 4.340 -0.003 0.000 0.222 384 R C 0.582 177.011 176.300 0.215 0.000 1.803 384 R CA -0.087 55.934 56.100 -0.132 0.000 1.560 384 R CB -0.770 29.331 30.300 -0.332 0.000 1.412 384 R HN 0.690 nan 8.270 nan 0.000 0.815 385 H N -1.341 117.960 119.070 0.385 0.000 2.546 385 H HA -0.051 4.504 4.556 -0.003 0.000 0.277 385 H C 0.638 176.195 175.328 0.382 0.000 1.004 385 H CA 1.110 57.385 56.048 0.378 0.000 1.231 385 H CB 0.132 30.068 29.762 0.290 0.000 1.382 385 H HN 0.306 nan 8.280 nan 0.000 0.580 386 D N -0.023 120.355 120.400 -0.037 0.000 2.363 386 D HA 0.069 4.707 4.640 -0.003 0.000 0.214 386 D C 0.256 176.654 176.300 0.163 0.000 1.093 386 D CA -0.069 53.977 54.000 0.077 0.000 0.837 386 D CB 0.172 40.930 40.800 -0.069 0.000 0.948 386 D HN 0.253 nan 8.370 nan 0.000 0.507 387 M N 0.183 119.908 119.600 0.209 0.000 2.662 387 M HA 0.258 4.737 4.480 -0.003 0.000 0.310 387 M C 1.274 177.715 176.300 0.234 0.000 1.204 387 M CA -1.036 54.377 55.300 0.187 0.000 0.891 387 M CB 2.060 34.732 32.600 0.120 0.000 1.732 387 M HN -0.317 nan 8.290 nan 0.000 0.467 388 V N 0.723 120.722 119.914 0.142 0.000 2.295 388 V HA -0.155 3.963 4.120 -0.003 0.000 0.246 388 V C 0.489 176.404 176.094 -0.298 0.000 1.049 388 V CA 1.696 63.989 62.300 -0.010 0.000 1.024 388 V CB -0.306 31.415 31.823 -0.169 0.000 0.648 388 V HN 0.571 nan 8.190 nan 0.000 0.447 389 F N -1.286 118.713 119.950 0.083 0.000 2.410 389 F HA 0.461 4.986 4.527 -0.003 0.000 0.349 389 F C 0.090 175.918 175.800 0.047 0.000 1.117 389 F CA -1.356 56.666 58.000 0.036 0.000 1.104 389 F CB 0.402 39.428 39.000 0.042 0.000 1.122 389 F HN -0.001 nan 8.300 nan 0.000 0.483 390 Y N 2.020 122.345 120.300 0.042 0.000 2.296 390 Y HA 0.565 5.113 4.550 -0.003 0.000 0.343 390 Y C 0.621 176.559 175.900 0.063 0.000 1.292 390 Y CA 0.460 58.562 58.100 0.003 0.000 1.490 390 Y CB 0.632 39.060 38.460 -0.053 0.000 1.359 390 Y HN 0.727 nan 8.280 nan 0.000 0.599 391 G N 0.498 108.933 108.800 -0.607 0.000 2.356 391 G HA2 0.369 4.327 3.960 -0.003 0.000 0.266 391 G HA3 0.369 4.327 3.960 -0.003 0.000 0.266 391 G C -1.943 172.618 174.900 -0.564 0.000 1.312 391 G CA -0.373 44.474 45.100 -0.421 0.000 0.922 391 G HN 1.143 nan 8.290 nan 0.000 0.480 392 V N -2.873 116.760 119.914 -0.467 0.000 2.715 392 V HA 0.722 4.840 4.120 -0.003 0.000 0.310 392 V C 0.820 176.684 176.094 -0.383 0.000 1.054 392 V CA -0.747 61.205 62.300 -0.581 0.000 0.928 392 V CB 1.829 33.286 31.823 -0.610 0.000 1.007 392 V HN 0.821 nan 8.190 nan 0.000 0.437 393 H N 1.241 120.179 119.070 -0.220 0.000 2.551 393 H HA 0.379 4.934 4.556 -0.003 0.000 0.266 393 H C 0.437 175.712 175.328 -0.088 0.000 0.964 393 H CA 1.074 57.053 56.048 -0.115 0.000 1.180 393 H CB 0.824 30.536 29.762 -0.083 0.000 1.408 393 H HN 0.874 nan 8.280 nan 0.000 0.563 394 E N 0.284 120.474 120.200 -0.018 0.000 2.375 394 E HA 0.264 4.612 4.350 -0.003 0.000 0.280 394 E C -1.926 174.646 176.600 -0.047 0.000 0.972 394 E CA -0.732 55.663 56.400 -0.009 0.000 0.782 394 E CB 1.862 31.568 29.700 0.011 0.000 1.229 394 E HN 0.002 nan 8.360 nan 0.000 0.439 395 L N 4.753 125.974 121.223 -0.004 0.000 2.534 395 L HA 0.449 4.788 4.340 -0.003 0.000 0.259 395 L C -2.860 174.038 176.870 0.046 0.000 1.108 395 L CA -1.411 53.434 54.840 0.009 0.000 0.905 395 L CB 1.625 43.696 42.059 0.020 0.000 1.138 395 L HN 0.306 nan 8.230 nan 0.000 0.475 396 P HA 0.370 nan 4.420 nan 0.000 0.276 396 P C -1.044 176.313 177.300 0.094 0.000 1.235 396 P CA -0.066 63.077 63.100 0.072 0.000 0.772 396 P CB 1.245 32.981 31.700 0.059 0.000 0.871 397 V N 0.345 120.337 119.914 0.130 0.000 3.102 397 V HA 0.892 5.010 4.120 -0.003 0.000 0.312 397 V C -0.460 175.780 176.094 0.242 0.000 1.135 397 V CA -0.601 61.803 62.300 0.172 0.000 1.022 397 V CB 2.060 33.978 31.823 0.159 0.000 1.056 397 V HN 0.492 nan 8.190 nan 0.000 0.436 398 T N 1.254 115.955 114.554 0.244 0.000 2.864 398 T HA 0.883 5.232 4.350 -0.003 0.000 0.289 398 T C -1.599 173.318 174.700 0.361 0.000 1.082 398 T CA -0.051 62.160 62.100 0.186 0.000 1.009 398 T CB 1.830 70.699 68.868 0.002 0.000 1.234 398 T HN 1.455 nan 8.240 nan 0.000 0.526 399 W N -0.277 121.023 121.300 0.000 0.000 2.959 399 W HA 0.621 5.278 4.660 -0.004 0.000 0.358 399 W C -1.276 175.272 176.519 0.048 0.000 1.228 399 W CA -1.193 56.122 57.345 -0.049 0.000 1.183 399 W CB 0.013 29.419 29.460 -0.091 0.000 1.467 399 W HN 0.793 nan 8.180 nan 0.000 0.578 400 H N 1.038 120.217 119.070 0.181 0.000 3.001 400 H HA 0.004 4.558 4.556 -0.003 0.000 0.334 400 H C -0.082 175.212 175.328 -0.056 0.000 1.034 400 H CA 0.385 56.471 56.048 0.065 0.000 1.420 400 H CB 0.422 30.267 29.762 0.138 0.000 1.405 400 H HN 0.487 nan 8.280 nan 0.000 0.593 401 H N 1.597 120.606 119.070 -0.103 0.000 2.732 401 H HA -0.014 4.541 4.556 -0.003 0.000 0.351 401 H C -0.355 174.818 175.328 -0.257 0.000 1.090 401 H CA -0.355 55.521 56.048 -0.286 0.000 1.431 401 H CB 0.368 29.866 29.762 -0.440 0.000 1.447 401 H HN 0.639 nan 8.280 nan 0.000 0.582 402 H N 5.591 124.174 119.070 -0.811 0.000 3.008 402 H HA 0.121 4.676 4.556 -0.003 0.000 0.268 402 H C 0.072 175.058 175.328 -0.570 0.000 1.323 402 H CA -0.364 55.394 56.048 -0.484 0.000 1.401 402 H CB -0.498 29.116 29.762 -0.247 0.000 1.556 402 H HN 0.627 nan 8.280 nan 0.000 0.502 403 H N 0.000 118.877 119.070 -0.322 0.000 2.539 403 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 403 H CA 0.000 55.995 56.048 -0.089 0.000 1.023 403 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 403 H HN 0.000 nan 8.280 nan 0.000 0.496